A0A077Z556_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z556, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 671 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	40.7	Very low	233 Å²	233	162.5 Å²	162.5	100%	1.148	82%	0.821	S	S	*	*				0	-16.5	0	-138.3	165.4	166.5	0	0	114.1
2	V	40.8	Very low	41.6	Very low	129 Å²	129	166.3 Å²	166.3	78%	0.782	82%	0.818	S	S	*	*	G	3₁₀ helix	trans	-85.5	-13.3	-172.8	-177.6	0	0	0	0	115	R4	V2-R4 PolarHBondContact O-N 2.74Å
3	L	38.1	Very low	42.5	Very low	161 Å²	161	169.8 Å²	169.8	84%	0.843	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-85.6	2.4	-177.3	-85.3	156.8	0	0	0	115.7
4	R	37.5	Very low	43.2	Very low	238 Å²	238	166.8 Å²	166.8	90%	0.898	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-100.8	0.8	-177.7	-91.2	-171.5	176.1	-172.6	-0.6	116	V2	V2-R4 PolarHBondContact O-N 2.74Å
5	W	38.9	Very low	44.1	Very low	242 Å²	242	159.3 Å²	159.3	92%	0.917	78%	0.777	S	S	*	*	S	Bend	trans	-97.5	-6.7	-177.9	-105.6	54.5	0	0	0	115.7
6	F	38.8	Very low	44.7	Very low	180 Å²	180	158.2 Å²	158.2	79%	0.789	77%	0.767	S	S	*	*	S	Bend	trans	-92.6	-3.6	-172.4	-89	-79.2	0	0	0	116.5
7	F	40.7	Very low	45.8	Very low	198 Å²	198	153.8 Å²	153.8	87%	0.868	75%	0.747	S	S	*	*	S	Bend	trans	-110.2	20.8	-172.2	-70.3	-71.5	0	0	0	115.7
8	G	39.9	Very low	46.6	Very low	70 Å²	70	151.8 Å²	151.8	72%	0.722	74%	0.74	S	S	*	*	S	Bend	trans	-119.6	8.3	-169.5	0	0	0	0	0	119.3
9	C	40.1	Very low	47.5	Very low	105 Å²	105	151.1 Å²	151.1	71%	0.709	73%	0.733	S	S	*	*			trans	-142	141.2	-175.9	-112.5	0	0	0	0	115.9	I11	C9-I11 PolarHBondContact O-N 3.21Å
10	P	49.9	Very low	48.3	Very low	126 Å²	126	149.4 Å²	149.4	82%	0.818	73%	0.726	S	S	*	*			trans	-83.3	45	-170	36.8	-35.6	0	0	0	113	R12	P10-R12 PolarHBondContact O-N 2.76Å
11	I	48	Very low	48.9	Very low	105 Å²	105	148.8 Å²	148.8	54%	0.538	72%	0.72	S	S	.	*			trans	-85.7	25	175.2	-58.1	172.6	0	0	0	110.6	C9 R13 H14 A15	C9-I11 PolarHBondContact O-N 3.21Å; I11-R13 VanDerWaalsContact C-N 3.26Å; I11-R13 PolarHBondContact O-N 2.89Å; I11-R13 VanDerWaalsContact O-N 3.14Å; I11-H14 HydrophobicContact CG2-CB 3.97Å; I11-H14 PolarHBondContact O-N 3.17Å; I11-A15 VanDerWaalsContact O-CB 3.27Å; I11-A15 WeakPolarHBondContact O-CB 3.26Å; I11-A15 PolarHBondContact O-N 3.27Å
12	R	51.7	Low	50	Low	208 Å²	208	140.3 Å²	140.3	79%	0.785	68%	0.684	S	S	*	*	H	α-helix	trans	-62.2	-27.2	-172.2	-117.4	-179	178.9	-173.7	0.6	114.1	P10 K16	P10-R12 PolarHBondContact O-N 2.76Å; R12-K16 WeakPolarHBondContact O-CG 3.47Å; R12-K16 PolarHBondContact O-N 2.73Å
13	R	52.5	Low	51.1	Low	213 Å²	213	137 Å²	137	80%	0.804	66%	0.664	S	S	*	*	H	α-helix	trans	-83	-43.3	-179.3	-136.5	177.3	-176	-176.1	0.5	112.1	I11 I17	I11-R13 VanDerWaalsContact C-N 3.26Å; I11-R13 PolarHBondContact O-N 2.89Å; I11-R13 VanDerWaalsContact O-N 3.14Å; R13-I17 WeakPolarHBondContact O-CG1 3.26Å; R13-I17 PolarHBondContact O-N 2.83Å
14	H	53.2	Low	52	Low	127 Å²	127	131.4 Å²	131.4	59%	0.588	64%	0.641	S	S	*	*	H	α-helix	trans	-72.5	-37.1	176.8	-63.1	-33.8	0	0	0	112.3	I11 K16 I17 L18	I11-H14 HydrophobicContact CG2-CB 3.97Å; I11-H14 PolarHBondContact O-N 3.17Å; H14-K16 VanDerWaalsContact C-N 3.34Å; H14-K16 PolarHBondContact O-N 3.13Å; H14-I17 PolarHBondContact O-N 3.03Å; H14-L18 WeakPolarHBondContact O-CB 3.37Å; H14-L18 PolarHBondContact O-N 3.36Å
15	A	55.8	Low	52.9	Low	54 Å²	54	123.2 Å²	123.2	45%	0.446	62%	0.62	S	S	.	*	H	α-helix	trans	-63.6	-37.2	176.4	0	0	0	0	0	112.7	I11 F19	I11-A15 VanDerWaalsContact O-CB 3.27Å; I11-A15 WeakPolarHBondContact O-CB 3.26Å; I11-A15 PolarHBondContact O-N 3.27Å; A15-F19 VanDerWaalsContact O-CB 3.24Å; A15-F19 WeakPolarHBondContact O-CB 3.04Å; A15-F19 PolarHBondContact O-N 2.91Å
16	K	54.2	Low	53.8	Low	142 Å²	142	116.8 Å²	116.8	62%	0.617	60%	0.603	S	S	*	*	H	α-helix	trans	-67.3	-42.2	174.3	-81.1	-174.8	176.1	-172.1	0	112.4	R12 H14 F19 I20	R12-K16 WeakPolarHBondContact O-CG 3.47Å; R12-K16 PolarHBondContact O-N 2.73Å; H14-K16 VanDerWaalsContact C-N 3.34Å; H14-K16 PolarHBondContact O-N 3.13Å; K16-F19 PolarHBondContact O-N 3.1Å; K16-I20 VanDerWaalsContact O-CG1 3.26Å; K16-I20 WeakPolarHBondContact O-CG1 3.34Å; K16-I20 PolarHBondContact O-N 3.24Å
17	I	62.9	Low	54.7	Low	83 Å²	83	113.4 Å²	113.4	43%	0.426	59%	0.593	S	S	.	*	H	α-helix	trans	-65	-47.6	177.6	-67.1	168.8	0	0	0	110	R13 H14 F19 I20 F21	R13-I17 WeakPolarHBondContact O-CG1 3.26Å; R13-I17 PolarHBondContact O-N 2.83Å; H14-I17 PolarHBondContact O-N 3.03Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.36Å; I17-I20 PolarHBondContact O-N 3.15Å; I17-F21 HydrophobicContact CG2-CD2 3.6Å; I17-F21 HydrophobicContact CG2-CE2 3.67Å; I17-F21 VanDerWaalsContact O-CD2 3.31Å; I17-F21 WeakPolarHBondContact O-CD2 3.13Å; I17-F21 PolarHBondContact O-N 3.35Å
18	L	60.1	Low	55.4	Low	119 Å²	119	109 Å²	109	62%	0.623	58%	0.578	S	S	*	*	H	α-helix	trans	-60.5	-38.4	175.5	-89.7	147.6	0	0	0	112.7	H14 S22	H14-L18 WeakPolarHBondContact O-CB 3.37Å; H14-L18 PolarHBondContact O-N 3.36Å; L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.46Å; L18-S22 PolarHBondContact O-OG 3.03Å
19	F	65	Low	56	Low	138 Å²	138	109.3 Å²	109.3	61%	0.605	57%	0.565	S	S	*	*	H	α-helix	trans	-66.9	-41.9	175.6	-170.4	-100.6	0	0	0	112	A15 K16 I17 S22 V23	A15-F19 VanDerWaalsContact O-CB 3.24Å; A15-F19 WeakPolarHBondContact O-CB 3.04Å; A15-F19 PolarHBondContact O-N 2.91Å; K16-F19 PolarHBondContact O-N 3.1Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.36Å; F19-S22 VanDerWaalsContact CA-OG 3.29Å; F19-S22 WeakPolarHBondContact CA-OG 3.14Å; F19-S22 PolarHBondContact O-N 3.43Å; F19-S22 PolarHBondContact O-OG 3.42Å; F19-S22 VanDerWaalsContact O-OG 3.1Å; F19-V23 HydrophobicContact CD1-CG2 4.11Å; F19-V23 HydrophobicContact CE1-CG2 3.79Å; F19-V23 HydrophobicContact CE2-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CB 3.35Å; F19-V23 VanDerWaalsContact O-CG2 3.24Å; F19-V23 WeakPolarHBondContact O-CG2 3.46Å; F19-V23 PolarHBondContact O-N 3.35Å
20	I	63.7	Low	56.7	Low	116 Å²	116	110.2 Å²	110.2	60%	0.595	56%	0.557	S	S	*	*	H	α-helix	trans	-65.6	-43.6	176.2	-67.5	165.1	0	0	0	110.7	K16 I17 V23 A24	K16-I20 VanDerWaalsContact O-CG1 3.26Å; K16-I20 WeakPolarHBondContact O-CG1 3.34Å; K16-I20 PolarHBondContact O-N 3.24Å; I17-I20 PolarHBondContact O-N 3.15Å; I20-V23 PolarHBondContact O-N 2.77Å; I20-A24 VanDerWaalsContact O-CB 3.27Å; I20-A24 WeakPolarHBondContact O-CB 3.41Å; I20-A24 PolarHBondContact O-N 2.89Å
21	F	59.1	Low	56.7	Low	138 Å²	138	105.6 Å²	105.6	61%	0.605	53%	0.528	S	S	*	.	H	α-helix	trans	-64.9	-41	176	-88.5	-74.5	0	0	0	112.3	I17 A24 S25	I17-F21 HydrophobicContact CG2-CD2 3.6Å; I17-F21 HydrophobicContact CG2-CE2 3.67Å; I17-F21 VanDerWaalsContact O-CD2 3.31Å; I17-F21 WeakPolarHBondContact O-CD2 3.13Å; I17-F21 PolarHBondContact O-N 3.35Å; F21-A24 PolarHBondContact O-N 3.22Å; F21-S25 WeakPolarHBondContact O-CB 3.07Å; F21-S25 PolarHBondContact O-N 3.07Å; F21-S25 PolarHBondContact O-OG 3.45Å
22	S	59.5	Low	56.7	Low	54 Å²	54	104.4 Å²	104.4	38%	0.378	53%	0.526	S	S	.	.	H	α-helix	trans	-70.2	-36.6	178.1	46.6	0	0	0	0	112.7	L18 F19 L26	L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.46Å; L18-S22 PolarHBondContact O-OG 3.03Å; F19-S22 VanDerWaalsContact CA-OG 3.29Å; F19-S22 WeakPolarHBondContact CA-OG 3.14Å; F19-S22 PolarHBondContact O-N 3.43Å; F19-S22 PolarHBondContact O-OG 3.42Å; F19-S22 VanDerWaalsContact O-OG 3.1Å; S22-L26 WeakPolarHBondContact O-CB 3.44Å; S22-L26 PolarHBondContact O-N 2.86Å
23	V	62.6	Low	56.5	Low	60 Å²	60	100 Å²	100	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-66.8	-41.7	171.4	172.5	0	0	0	0	111	F19 I20 L26 L27	F19-V23 HydrophobicContact CD1-CG2 4.11Å; F19-V23 HydrophobicContact CE1-CG2 3.79Å; F19-V23 HydrophobicContact CE2-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CB 3.35Å; F19-V23 VanDerWaalsContact O-CG2 3.24Å; F19-V23 WeakPolarHBondContact O-CG2 3.46Å; F19-V23 PolarHBondContact O-N 3.35Å; I20-V23 PolarHBondContact O-N 2.77Å; V23-L26 PolarHBondContact O-N 3.4Å; V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.44Å; V23-L27 WeakPolarHBondContact O-CB 3.09Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.41Å; V23-L27 PolarHBondContact O-N 3.27Å
24	A	58.1	Low	56.3	Low	43 Å²	43	91.8 Å²	91.8	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-42.8	176	0	0	0	0	0	112.1	I20 F21 L27 L28	I20-A24 VanDerWaalsContact O-CB 3.27Å; I20-A24 WeakPolarHBondContact O-CB 3.41Å; I20-A24 PolarHBondContact O-N 2.89Å; F21-A24 PolarHBondContact O-N 3.22Å; A24-L27 PolarHBondContact O-N 3.39Å; A24-L28 WeakPolarHBondContact O-CB 3.44Å; A24-L28 PolarHBondContact O-N 3.26Å
25	S	56.6	Low	56.1	Low	66 Å²	66	90 Å²	90	46%	0.462	48%	0.483	S	S	.	.	H	α-helix	trans	-66.8	-39.3	174.1	-72.6	0	0	0	0	112.3	F21 L28 V29	F21-S25 WeakPolarHBondContact O-CB 3.07Å; F21-S25 PolarHBondContact O-N 3.07Å; F21-S25 PolarHBondContact O-OG 3.45Å; S25-L28 PolarHBondContact O-N 3.21Å; S25-V29 WeakPolarHBondContact O-CB 3.42Å; S25-V29 VanDerWaalsContact O-CG2 3.23Å; S25-V29 WeakPolarHBondContact O-CG2 3.19Å; S25-V29 PolarHBondContact O-N 3.02Å
26	L	57.5	Low	55.5	Low	107 Å²	107	96.2 Å²	96.2	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-40.4	173.5	-111.8	113.3	0	0	0	111.3	S22 V23 V29 F30	S22-L26 WeakPolarHBondContact O-CB 3.44Å; S22-L26 PolarHBondContact O-N 2.86Å; V23-L26 PolarHBondContact O-N 3.4Å; L26-V29 PolarHBondContact O-N 3.25Å; L26-F30 HydrophobicContact CD2-CD2 4.3Å; L26-F30 HydrophobicContact CD2-CE2 4.34Å; L26-F30 VanDerWaalsContact O-CB 3.25Å; L26-F30 WeakPolarHBondContact O-CB 3.03Å; L26-F30 PolarHBondContact O-N 3.16Å
27	L	57.8	Low	54.8	Low	110 Å²	110	96 Å²	96	58%	0.576	50%	0.502	S	S	*	.	H	α-helix	trans	-65.2	-39.2	174.6	-76.9	166	0	0	0	111.5	V23 A24 C31	V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.44Å; V23-L27 WeakPolarHBondContact O-CB 3.09Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.41Å; V23-L27 PolarHBondContact O-N 3.27Å; A24-L27 PolarHBondContact O-N 3.39Å; L27-C31 VanDerWaalsContact O-CB 3.24Å; L27-C31 WeakPolarHBondContact O-CB 3.44Å; L27-C31 PolarHBondContact O-N 3.27Å; L27-C31 PolarHBondContact O-SG 2.99Å
28	L	54.4	Low	53.7	Low	106 Å²	106	96.7 Å²	96.7	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-44.4	173.6	-92.2	153.7	0	0	0	112	A24 S25 C31 T32	A24-L28 WeakPolarHBondContact O-CB 3.44Å; A24-L28 PolarHBondContact O-N 3.26Å; S25-L28 PolarHBondContact O-N 3.21Å; L28-C31 WeakPolarHBondContact O-CB 3.5Å; L28-C31 PolarHBondContact O-N 3.49Å; L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 3.49Å; L28-T32 PolarHBondContact O-OG1 2.81Å
29	V	53.3	Low	52.5	Low	76 Å²	76	97 Å²	97	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-70.5	-39.2	178.2	171.3	0	0	0	0	111.6	S25 L26 C31 T32 L33	S25-V29 WeakPolarHBondContact O-CB 3.42Å; S25-V29 VanDerWaalsContact O-CG2 3.23Å; S25-V29 WeakPolarHBondContact O-CG2 3.19Å; S25-V29 PolarHBondContact O-N 3.02Å; L26-V29 PolarHBondContact O-N 3.25Å; V29-C31 VanDerWaalsContact C-N 3.33Å; V29-T32 WeakPolarHBondContact CA-OG1 3.46Å; V29-T32 PolarHBondContact O-N 3.49Å; V29-T32 PolarHBondContact O-OG1 2.93Å; V29-L33 HydrophobicContact CG1-CD1 3.69Å; V29-L33 HydrophobicContact CG1-CG 4.39Å; V29-L33 VanDerWaalsContact O-CB 3.3Å; V29-L33 WeakPolarHBondContact O-CB 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.49Å
30	F	53.9	Low	51.1	Low	123 Å²	123	96.4 Å²	96.4	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-38.4	170.6	-106.4	-91.8	0	0	0	111	L26 I34	L26-F30 HydrophobicContact CD2-CD2 4.3Å; L26-F30 HydrophobicContact CD2-CE2 4.34Å; L26-F30 VanDerWaalsContact O-CB 3.25Å; L26-F30 WeakPolarHBondContact O-CB 3.03Å; L26-F30 PolarHBondContact O-N 3.16Å; F30-I34 HydrophobicContact CD1-CD1 3.91Å; F30-I34 HydrophobicContact CD1-CG1 4.41Å; F30-I34 WeakPolarHBondContact O-CB 3.33Å; F30-I34 WeakPolarHBondContact O-CD1 3.4Å; F30-I34 WeakPolarHBondContact O-CG1 3.38Å; F30-I34 PolarHBondContact O-N 2.62Å
31	C	50.6	Low	50.1	Low	30 Å²	30	93.9 Å²	93.9	20%	0.203	52%	0.517	C	S	.	.	H	α-helix	trans	-62.1	-48.6	172.6	-75.9	0	0	0	0	110.7	L27 L28 V29 L33 I34 L35	L27-C31 VanDerWaalsContact O-CB 3.24Å; L27-C31 WeakPolarHBondContact O-CB 3.44Å; L27-C31 PolarHBondContact O-N 3.27Å; L27-C31 PolarHBondContact O-SG 2.99Å; L28-C31 WeakPolarHBondContact O-CB 3.5Å; L28-C31 PolarHBondContact O-N 3.49Å; V29-C31 VanDerWaalsContact C-N 3.33Å; C31-L33 PolarHBondContact O-N 3.25Å; C31-I34 PolarHBondContact O-N 3.17Å; C31-L35 HydrophobicContact CB-CD1 4.41Å; C31-L35 VanDerWaalsContact O-CB 3.27Å; C31-L35 WeakPolarHBondContact O-CB 3.41Å; C31-L35 WeakPolarHBondContact O-CD1 3.4Å; C31-L35 WeakPolarHBondContact O-CG 3.37Å; C31-L35 PolarHBondContact O-N 3.39Å; C31-L35 VanDerWaalsContact O-N 3.08Å
32	T	48.2	Very low	49.6	Very low	80 Å²	80	89.1 Å²	89.1	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-38.7	179.7	51.6	0	0	0	0	113.3	L28 V29 L35 Y36	L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 3.49Å; L28-T32 PolarHBondContact O-OG1 2.81Å; V29-T32 WeakPolarHBondContact CA-OG1 3.46Å; V29-T32 PolarHBondContact O-N 3.49Å; V29-T32 PolarHBondContact O-OG1 2.93Å; T32-L35 PolarHBondContact O-N 3.3Å; T32-Y36 PolarHBondContact O-N 2.95Å
33	L	47.3	Very low	49.6	Very low	116 Å²	116	92.9 Å²	92.9	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-73.7	-26.3	175.2	-73.9	165.7	0	0	0	113.5	V29 C31 L35 R63	V29-L33 HydrophobicContact CG1-CD1 3.69Å; V29-L33 HydrophobicContact CG1-CG 4.39Å; V29-L33 VanDerWaalsContact O-CB 3.3Å; V29-L33 WeakPolarHBondContact O-CB 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.49Å; C31-L33 PolarHBondContact O-N 3.25Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-R63 PolarHBondContact O-NH2 2.82Å
34	I	49.2	Very low	49.6	Very low	39 Å²	39	90.9 Å²	90.9	20%	0.2	50%	0.497	C	S	.	.	H	α-helix	trans	-73.6	-28.3	172.6	-74	168.5	0	0	0	111	F30 C31 A59 R63	F30-I34 HydrophobicContact CD1-CD1 3.91Å; F30-I34 HydrophobicContact CD1-CG1 4.41Å; F30-I34 WeakPolarHBondContact O-CB 3.33Å; F30-I34 WeakPolarHBondContact O-CD1 3.4Å; F30-I34 WeakPolarHBondContact O-CG1 3.38Å; F30-I34 PolarHBondContact O-N 2.62Å; C31-I34 PolarHBondContact O-N 3.17Å; I34-A59 HydrophobicContact CG2-CB 3.74Å; I34-R63 VanDerWaalsContact CA-CZ 3.47Å; I34-R63 VanDerWaalsContact CA-NH2 3.25Å; I34-R63 PolarHBondContact O-NE 2.87Å; I34-R63 PolarHBondContact O-NH2 3.15Å
35	L	47.8	Very low	49.6	Very low	89 Å²	89	90.5 Å²	90.5	47%	0.466	49%	0.491	S	S	.	.	H	α-helix	trans	-94.3	-15	-170.6	-69.8	166.9	0	0	0	115.3	C31 T32 L33 D37 A59	C31-L35 HydrophobicContact CB-CD1 4.41Å; C31-L35 VanDerWaalsContact O-CB 3.27Å; C31-L35 WeakPolarHBondContact O-CB 3.41Å; C31-L35 WeakPolarHBondContact O-CD1 3.4Å; C31-L35 WeakPolarHBondContact O-CG 3.37Å; C31-L35 PolarHBondContact O-N 3.39Å; C31-L35 VanDerWaalsContact O-N 3.08Å; T32-L35 PolarHBondContact O-N 3.3Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L35-D37 PolarHBondContact O-N 3.24Å; L35-A59 HydrophobicContact CD2-CB 4.19Å
36	Y	43.6	Very low	49.5	Very low	186 Å²	186	89.8 Å²	89.8	73%	0.729	49%	0.49	S	S	*	.	S	Bend	trans	-84	114	177	-115.2	-94.8	0	0	0	111.3	T32	T32-Y36 PolarHBondContact O-N 2.95Å
37	D	39.5	Very low	49.3	Very low	137 Å²	137	89.7 Å²	89.7	73%	0.733	49%	0.49	S	S	*	.			trans	53.1	99.7	166.9	-73.6	-28.5	0	0	0	119.1	L35	L35-D37 PolarHBondContact O-N 3.24Å
38	H	39.9	Very low	48.8	Very low	98 Å²	98	90.9 Å²	90.9	45%	0.454	49%	0.487	S	S	.	.			trans	-84.9	129.7	145.3	-153.8	-73.5	0	0	0	108.3	L40 G41	H38-L40 PolarHBondContact O-N 3.15Å; H38-G41 PolarHBondContact O-N 3.11Å
39	P	35	Very low	48.6	Very low	124 Å²	124	94.6 Å²	94.6	81%	0.805	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	0.4	-174.6	-22.7	31	0	0	0	116.9
40	L	35.5	Very low	48.7	Very low	126 Å²	126	95.1 Å²	95.1	66%	0.66	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	11.4	-174.7	-69.4	170	0	0	0	113.7	H38 V42	H38-L40 PolarHBondContact O-N 3.15Å; L40-V42 VanDerWaalsContact C-N 3.27Å; L40-V42 PolarHBondContact O-N 3.48Å
41	G	43	Very low	49.2	Very low	64 Å²	64	92 Å²	92	66%	0.66	50%	0.496	S	S	*	.			trans	72.3	10.8	171.1	0	0	0	0	0	116.1	H38 K43	H38-G41 PolarHBondContact O-N 3.11Å; G41-K43 PolarHBondContact O-N 3.05Å
42	V	48.2	Very low	50	Low	37 Å²	37	94.9 Å²	94.9	22%	0.224	51%	0.509	C	S	.	.			trans	-74.2	106.3	176.5	-176.5	0	0	0	0	109.9	L40 L62 Y541	L40-V42 VanDerWaalsContact C-N 3.27Å; L40-V42 PolarHBondContact O-N 3.48Å; V42-L62 HydrophobicContact CB-CD2 4.2Å; V42-L62 HydrophobicContact CG1-CD1 4.16Å; V42-L62 HydrophobicContact CG1-CD2 3.79Å; V42-Y541 HydrophobicContact CG1-CE2 3.83Å
43	K	60.2	Low	50.9	Low	133 Å²	133	96.5 Å²	96.5	58%	0.578	51%	0.514	S	S	*	.			trans	-92.9	126.8	174.5	-68.7	-176.2	179.8	-179.4	0	110.3	G41 Q545	G41-K43 PolarHBondContact O-N 3.05Å; K43-Q545 PolarHBondContact O-NE2 3.47Å
44	C	61.8	Low	51.9	Low	18 Å²	18	95.1 Å²	95.1	12%	0.122	50%	0.503	C	S	.	.	S	Bend	trans	-75.1	-27.7	170.3	-89.7	0	0	0	0	112.8	C58 A59	C44-C58 HydrophobicContact CB-CB 3.68Å; C44-C58 WeakPolarHBondContact CB-SG 3.5Å; C44-C58 WeakPolarHBondContact SG-CB 3.28Å; C44-C58 CovalentContact SG-SG 2.05Å; C44-C58 PolarHBondContact SG-SG 3.34Å; C44-A59 PolarHBondContact SG-N 3.34Å
45	C	57.6	Low	52.8	Low	35 Å²	35	93.6 Å²	93.6	24%	0.236	50%	0.496	C	S	.	.			trans	-151.3	133.9	-178.6	-64	0	0	0	0	109.8	C55	C45-C55 HydrophobicContact CB-CB 4.15Å; C45-C55 WeakPolarHBondContact CB-SG 3.37Å; C45-C55 WeakPolarHBondContact SG-CA 3.49Å; C45-C55 WeakPolarHBondContact SG-CB 3.46Å; C45-C55 CovalentContact SG-SG 2.04Å; C45-C55 PolarHBondContact SG-SG 3.03Å
46	A	55.6	Low	53.9	Low	52 Å²	52	90.5 Å²	90.5	43%	0.43	48%	0.483	S	S	.	.	S	Bend	trans	-77.6	-39.6	167	0	0	0	0	0	112
47	D	53.7	Low	55.3	Low	104 Å²	104	87 Å²	87	56%	0.556	47%	0.472	S	S	*	.			trans	-111.9	91.3	-179.5	-83	-38.4	0	0	0	111.5	Y49 A50	D47-Y49 PolarHBondContact O-N 3.25Å; D47-A50 PolarHBondContact O-N 2.93Å
48	W	46.3	Very low	56.7	Low	136 Å²	136	81 Å²	81	52%	0.515	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.4	-176.5	67.2	-88.2	0	0	0	114.5	A50	W48-A50 VanDerWaalsContact C-N 3.35Å
49	Y	50.7	Low	58.2	Low	183 Å²	183	76.7 Å²	76.7	72%	0.718	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.4	180	-77.6	-75.9	0	0	0	113.9	D47	D47-Y49 PolarHBondContact O-N 3.25Å
50	A	56	Low	60.1	Low	87 Å²	87	74.9 Å²	74.9	72%	0.719	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.9	-171.3	0	0	0	0	0	113.8	D47 W48	D47-A50 PolarHBondContact O-N 2.93Å; W48-A50 VanDerWaalsContact C-N 3.35Å
51	D	64.3	Low	61.9	Low	57 Å²	57	69.5 Å²	69.5	31%	0.305	38%	0.378	S	S	.	.			trans	-158.2	78	-178.9	-160.5	-30	0	0	0	113	L53 K54 C55	D51-L53 PolarHBondContact O-N 3.31Å; D51-L53 VanDerWaalsContact O-N 3.16Å; D51-K54 HydrophobicContact CB-CB 4.15Å; D51-K54 HydrophobicContact CB-CD 4.34Å; D51-K54 HydrophobicContact CB-CG 4.42Å; D51-K54 PolarHBondContact O-N 3.45Å; D51-K54 PolarHBondContact OD1-N 3.04Å; D51-K54 VanDerWaalsContact OD1-N 3.15Å; D51-K54 WeakPolarHBondContact OD2-CD 3.29Å; D51-K54 WeakPolarHBondContact OD2-CE 3.46Å; D51-K54 VanDerWaalsContact OD2-CG 3.31Å; D51-K54 WeakPolarHBondContact OD2-CG 3.39Å; D51-K54 IonicContact OD2-NZ 2.73Å; D51-K54 PolarHBondContact OD2-NZ 2.61Å; D51-C55 PolarHBondContact O-N 2.8Å; D51-C55 VanDerWaalsContact O-N 3.11Å; D51-C55 PolarHBondContact O-SG 3.45Å; D51-C55 VanDerWaalsContact O-SG 3.33Å
52	L	66.1	Low	63	Low	91 Å²	91	67.9 Å²	67.9	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-50.9	-38.8	-179.9	-107.2	143.2	0	0	0	113.4	A56	L52-A56 WeakPolarHBondContact O-CB 3.45Å; L52-A56 PolarHBondContact O-N 2.87Å
53	L	68.7	Low	64	Low	115 Å²	115	72.8 Å²	72.8	60%	0.602	37%	0.368	S	S	*	.	H	α-helix	trans	-71.1	-41.5	-176.7	-172.8	69.4	0	0	0	111.7	D51 K57	D51-L53 PolarHBondContact O-N 3.31Å; D51-L53 VanDerWaalsContact O-N 3.16Å; L53-K57 WeakPolarHBondContact O-CG 3.49Å; L53-K57 PolarHBondContact O-N 2.78Å
54	K	67.8	Low	64.7	Low	87 Å²	87	71.9 Å²	71.9	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-45.1	174.8	-77.9	-173.6	-167.7	131.7	0	111.6	D51 A56 K57 C58	D51-K54 HydrophobicContact CB-CB 4.15Å; D51-K54 HydrophobicContact CB-CD 4.34Å; D51-K54 HydrophobicContact CB-CG 4.42Å; D51-K54 PolarHBondContact O-N 3.45Å; D51-K54 PolarHBondContact OD1-N 3.04Å; D51-K54 VanDerWaalsContact OD1-N 3.15Å; D51-K54 WeakPolarHBondContact OD2-CD 3.29Å; D51-K54 WeakPolarHBondContact OD2-CE 3.46Å; D51-K54 VanDerWaalsContact OD2-CG 3.31Å; D51-K54 WeakPolarHBondContact OD2-CG 3.39Å; D51-K54 IonicContact OD2-NZ 2.73Å; D51-K54 PolarHBondContact OD2-NZ 2.61Å; K54-A56 VanDerWaalsContact C-N 3.31Å; K54-A56 PolarHBondContact O-N 2.94Å; K54-K57 PolarHBondContact O-N 3.01Å; K54-C58 PolarHBondContact O-N 3.48Å
55	C	67.6	Low	65	Low	7 Å²	7	79.1 Å²	79.1	5%	0.047	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-42	178.5	-58.6	0	0	0	0	111.2	C45 D51 C58 A59	C45-C55 HydrophobicContact CB-CB 4.15Å; C45-C55 WeakPolarHBondContact CB-SG 3.37Å; C45-C55 WeakPolarHBondContact SG-CA 3.49Å; C45-C55 WeakPolarHBondContact SG-CB 3.46Å; C45-C55 CovalentContact SG-SG 2.04Å; C45-C55 PolarHBondContact SG-SG 3.03Å; D51-C55 PolarHBondContact O-N 2.8Å; D51-C55 VanDerWaalsContact O-N 3.11Å; D51-C55 PolarHBondContact O-SG 3.45Å; D51-C55 VanDerWaalsContact O-SG 3.33Å; C55-C58 PolarHBondContact O-N 2.97Å; C55-A59 WeakPolarHBondContact O-CB 3.25Å; C55-A59 PolarHBondContact O-N 2.99Å
56	A	71.3	Confident	65.9	Low	24 Å²	24	83.3 Å²	83.3	20%	0.198	42%	0.418	C	S	.	.	H	α-helix	trans	-62	-46	174.8	0	0	0	0	0	112.5	L52 K54 C58 A59 I60	L52-A56 WeakPolarHBondContact O-CB 3.45Å; L52-A56 PolarHBondContact O-N 2.87Å; K54-A56 VanDerWaalsContact C-N 3.31Å; K54-A56 PolarHBondContact O-N 2.94Å; A56-C58 PolarHBondContact O-N 2.7Å; A56-A59 PolarHBondContact O-N 2.73Å; A56-I60 WeakPolarHBondContact O-CB 3.35Å; A56-I60 WeakPolarHBondContact O-CD1 3.37Å; A56-I60 VanDerWaalsContact O-CG1 3.24Å; A56-I60 WeakPolarHBondContact O-CG1 3.48Å; A56-I60 PolarHBondContact O-N 3.44Å
57	K	72.5	Confident	67.1	Low	113 Å²	113	81.3 Å²	81.3	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-60.7	-43.7	176.8	-75.6	176.9	-179.7	179.1	0	112.3	L53 K54 A61 V537	L53-K57 WeakPolarHBondContact O-CG 3.49Å; L53-K57 PolarHBondContact O-N 2.78Å; K54-K57 PolarHBondContact O-N 3.01Å; K57-A61 WeakPolarHBondContact O-CB 3.31Å; K57-A61 PolarHBondContact O-N 2.74Å; K57-V537 HydrophobicContact CB-CG2 4.24Å
58	C	69.7	Low	68.7	Low	9 Å²	9	76.5 Å²	76.5	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-47.1	176.5	178.2	0	0	0	0	111.3	C44 K54 C55 A56 I60 A61 L62 V537	C44-C58 HydrophobicContact CB-CB 3.68Å; C44-C58 WeakPolarHBondContact CB-SG 3.5Å; C44-C58 WeakPolarHBondContact SG-CB 3.28Å; C44-C58 CovalentContact SG-SG 2.05Å; C44-C58 PolarHBondContact SG-SG 3.34Å; K54-C58 PolarHBondContact O-N 3.48Å; C55-C58 PolarHBondContact O-N 2.97Å; A56-C58 PolarHBondContact O-N 2.7Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 PolarHBondContact O-N 3.36Å; C58-A61 PolarHBondContact O-N 3.07Å; C58-A61 VanDerWaalsContact O-N 3.15Å; C58-L62 WeakPolarHBondContact O-CB 3.44Å; C58-L62 PolarHBondContact O-N 3.28Å; C58-V537 HydrophobicContact CB-CG1 4.4Å
59	A	70.6	Confident	70.6	Confident	9 Å²	9	76.1 Å²	76.1	7%	0.074	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-39.9	-179.4	0	0	0	0	0	112.2	I34 L35 C44 C55 A56 R63	I34-A59 HydrophobicContact CG2-CB 3.74Å; L35-A59 HydrophobicContact CD2-CB 4.19Å; C44-A59 PolarHBondContact SG-N 3.34Å; C55-A59 WeakPolarHBondContact O-CB 3.25Å; C55-A59 PolarHBondContact O-N 2.99Å; A56-A59 PolarHBondContact O-N 2.73Å; A59-R63 WeakPolarHBondContact O-CB 3.43Å; A59-R63 WeakPolarHBondContact O-CG 3.35Å; A59-R63 PolarHBondContact O-N 3.19Å
60	I	74.7	Confident	72.5	Confident	86 Å²	86	69.3 Å²	69.3	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-48.3	172.6	-68	165.2	0	0	0	110.3	A56 C58 L62 R63 L64	A56-I60 WeakPolarHBondContact O-CB 3.35Å; A56-I60 WeakPolarHBondContact O-CD1 3.37Å; A56-I60 VanDerWaalsContact O-CG1 3.24Å; A56-I60 WeakPolarHBondContact O-CG1 3.48Å; A56-I60 PolarHBondContact O-N 3.44Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 PolarHBondContact O-N 3.36Å; I60-L62 VanDerWaalsContact C-N 3.34Å; I60-L62 PolarHBondContact O-N 3.21Å; I60-R63 PolarHBondContact O-N 3.15Å; I60-L64 HydrophobicContact CG2-CD1 3.75Å; I60-L64 HydrophobicContact CG2-CG 4.34Å; I60-L64 WeakPolarHBondContact O-CB 3.5Å; I60-L64 VanDerWaalsContact O-CG 3.26Å; I60-L64 WeakPolarHBondContact O-CG 3.21Å; I60-L64 PolarHBondContact O-N 3.18Å
61	A	72.8	Confident	74.1	Confident	12 Å²	12	68.4 Å²	68.4	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-40.1	-179.9	0	0	0	0	0	112.5	K57 C58 L64 K65 L66 L67 V537	K57-A61 WeakPolarHBondContact O-CB 3.31Å; K57-A61 PolarHBondContact O-N 2.74Å; C58-A61 PolarHBondContact O-N 3.07Å; C58-A61 VanDerWaalsContact O-N 3.15Å; A61-L64 CarbonylContact O-C 3.55Å; A61-L64 PolarHBondContact O-N 2.83Å; A61-K65 PolarHBondContact O-N 2.77Å; A61-L66 HydrophobicContact CB-CB 4.25Å; A61-L66 WeakPolarHBondContact O-CB 3.35Å; A61-L66 PolarHBondContact O-N 3.35Å; A61-L67 HydrophobicContact CB-CD1 3.86Å; A61-L67 HydrophobicContact CB-CG 3.9Å; A61-V537 HydrophobicContact CB-CG1 4.31Å
62	L	68	Low	75.3	Confident	30 Å²	30	67.9 Å²	67.9	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-46.1	176.2	-165.3	71.7	0	0	0	111.2	V42 C58 I60 L64 K65 L67 Y541	V42-L62 HydrophobicContact CB-CD2 4.2Å; V42-L62 HydrophobicContact CG1-CD1 4.16Å; V42-L62 HydrophobicContact CG1-CD2 3.79Å; C58-L62 WeakPolarHBondContact O-CB 3.44Å; C58-L62 PolarHBondContact O-N 3.28Å; I60-L62 VanDerWaalsContact C-N 3.34Å; I60-L62 PolarHBondContact O-N 3.21Å; L62-L64 VanDerWaalsContact C-N 3.25Å; L62-L64 PolarHBondContact O-N 3.45Å; L62-K65 WeakPolarHBondContact O-CA 3.35Å; L62-K65 PolarHBondContact O-N 2.89Å; L62-L67 HydrophobicContact CB-CD1 4.3Å; L62-L67 HydrophobicContact CD1-CB 3.9Å; L62-L67 HydrophobicContact CD1-CD1 4.47Å; L62-Y541 HydrophobicContact CD1-CE2 4.13Å
63	R	67.7	Low	76	Confident	141 Å²	141	64.7 Å²	64.7	53%	0.532	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-33.6	175.1	-78.6	-172.3	177.2	-152.7	-5.3	112.7	L33 I34 A59 I60 K65	L33-R63 PolarHBondContact O-NH2 2.82Å; I34-R63 VanDerWaalsContact CA-CZ 3.47Å; I34-R63 VanDerWaalsContact CA-NH2 3.25Å; I34-R63 PolarHBondContact O-NE 2.87Å; I34-R63 PolarHBondContact O-NH2 3.15Å; A59-R63 WeakPolarHBondContact O-CB 3.43Å; A59-R63 WeakPolarHBondContact O-CG 3.35Å; A59-R63 PolarHBondContact O-N 3.19Å; I60-R63 PolarHBondContact O-N 3.15Å; R63-K65 PolarHBondContact O-N 2.58Å
64	L	74.7	Confident	75.9	Confident	113 Å²	113	64 Å²	64	59%	0.592	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	3.5	174	-66.9	175.1	0	0	0	113.4	I60 A61 L62 L66	I60-L64 HydrophobicContact CG2-CD1 3.75Å; I60-L64 HydrophobicContact CG2-CG 4.34Å; I60-L64 WeakPolarHBondContact O-CB 3.5Å; I60-L64 VanDerWaalsContact O-CG 3.26Å; I60-L64 WeakPolarHBondContact O-CG 3.21Å; I60-L64 PolarHBondContact O-N 3.18Å; A61-L64 CarbonylContact O-C 3.55Å; A61-L64 PolarHBondContact O-N 2.83Å; L62-L64 VanDerWaalsContact C-N 3.25Å; L62-L64 PolarHBondContact O-N 3.45Å; L64-L66 HydrophobicContact CB-CD1 3.96Å; L64-L66 HydrophobicContact CB-CG 3.83Å; L64-L66 HydrophobicContact CD1-CD1 4.04Å; L64-L66 PolarHBondContact O-N 3.37Å
65	K	69.7	Low	75.2	Confident	171 Å²	171	60.8 Å²	60.8	74%	0.743	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	27.1	-174.3	-59	-172.1	175.6	-169.7	0	114	A61 L62 R63 L67 N630	A61-K65 PolarHBondContact O-N 2.77Å; L62-K65 WeakPolarHBondContact O-CA 3.35Å; L62-K65 PolarHBondContact O-N 2.89Å; R63-K65 PolarHBondContact O-N 2.58Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-N630 PolarHBondContact O-ND2 3.36Å
66	L	75.1	Confident	73.9	Confident	122 Å²	122	64.3 Å²	64.3	64%	0.639	33%	0.333	S	S	*	.			trans	-80.6	-14.3	174.8	-61.8	175.3	0	0	0	112.3	A61 L64	A61-L66 HydrophobicContact CB-CB 4.25Å; A61-L66 WeakPolarHBondContact O-CB 3.35Å; A61-L66 PolarHBondContact O-N 3.35Å; L64-L66 HydrophobicContact CB-CD1 3.96Å; L64-L66 HydrophobicContact CB-CG 3.83Å; L64-L66 HydrophobicContact CD1-CD1 4.04Å; L64-L66 PolarHBondContact O-N 3.37Å
67	L	82.1	Confident	72.2	Confident	11 Å²	11	68.6 Å²	68.6	6%	0.058	36%	0.361	C	S	.	.	S	Bend	trans	-107.9	145.3	175.3	-65.6	173.9	0	0	0	109.9	A61 L62 K65 V537 F538 Y541 N630	A61-L67 HydrophobicContact CB-CD1 3.86Å; A61-L67 HydrophobicContact CB-CG 3.9Å; L62-L67 HydrophobicContact CB-CD1 4.3Å; L62-L67 HydrophobicContact CD1-CB 3.9Å; L62-L67 HydrophobicContact CD1-CD1 4.47Å; K65-L67 VanDerWaalsContact C-N 3.29Å; L67-V537 HydrophobicContact CD1-CG1 4.41Å; L67-V537 HydrophobicContact CD2-CG1 4.47Å; L67-F538 HydrophobicContact CD2-CD2 4.35Å; L67-Y541 HydrophobicContact CB-CD1 4.21Å; L67-Y541 HydrophobicContact CB-CE1 4.07Å; L67-Y541 HydrophobicContact CB-CG 4.49Å; L67-Y541 HydrophobicContact CD1-CD1 4.38Å; L67-Y541 HydrophobicContact CD1-CD2 3.79Å; L67-Y541 HydrophobicContact CD1-CE2 4.25Å; L67-Y541 HydrophobicContact CD1-CG 3.85Å; L67-Y541 HydrophobicContact CD2-CD1 4.03Å; L67-Y541 HydrophobicContact CD2-CG 4.07Å; L67-Y541 HydrophobicContact CG-CD1 4.44Å; L67-Y541 HydrophobicContact CG-CG 4.36Å; L67-N630 PolarHBondContact O-ND2 3.26Å
68	P	85.7	Confident	70.7	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.013	35%	0.35	C	S	.	.			trans	-76.3	151.8	-176.9	31.1	-36.4	0	0	0	112.7	F538 Y541 L625 N630 L632	P68-F538 HydrophobicContact CG-CE2 4.02Å; P68-Y541 HydrophobicContact CG-CE1 4.03Å; P68-Y541 WeakPolarHBondContact O-CE1 3.3Å; P68-Y541 PolarHBondContact O-OH 2.85Å; P68-L625 HydrophobicContact CB-CD1 3.66Å; P68-L625 HydrophobicContact CG-CD1 3.93Å; P68-N630 CarbonylContact C-O 3.51Å; P68-N630 WeakPolarHBondContact CA-O 3.2Å; P68-N630 WeakPolarHBondContact CA-OD1 3.49Å; P68-N630 WeakPolarHBondContact CB-O 3.43Å; P68-L632 HydrophobicContact CB-CB 3.98Å; P68-L632 HydrophobicContact CG-CB 3.71Å
69	E	87.5	Confident	69.8	Low	128 Å²	128	68.8 Å²	68.8	60%	0.598	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	157.7	162.9	-69.6	-177	-176.9	0	0	110	N630 L631 L632	E69-N630 PolarHBondContact N-O 2.95Å; E69-L631 HydrophobicContact CB-CD1 3.95Å; E69-L632 WeakPolarHBondContact O-CB 3.34Å; E69-L632 PolarHBondContact O-N 2.96Å
70	V	90	Very high	68.9	Low	41 Å²	41	69.6 Å²	69.6	25%	0.248	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.1	-174.6	-173.5	0	0	0	0	109.9	V72 Y541 Q545 L632 I634	V70-V72 HydrophobicContact CG1-CG2 3.95Å; V70-Y541 HydrophobicContact CG2-CE1 4.41Å; V70-Y541 WeakPolarHBondContact CG2-OH 3.29Å; V70-Q545 HydrophobicContact CG1-CB 4.27Å; V70-Q545 HydrophobicContact CG2-CB 4.06Å; V70-Q545 HydrophobicContact CG2-CG 3.56Å; V70-L632 WeakPolarHBondContact CA-O 3.48Å; V70-L632 HydrophobicContact CG2-CD2 4.47Å; V70-I634 HydrophobicContact CG1-CD1 3.8Å; V70-I634 HydrophobicContact CG1-CG1 4.33Å
71	D	90	Very high	67.5	Low	67 Å²	67	73.1 Å²	73.1	36%	0.358	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.6	168.6	-179.4	23.7	0	0	0	108.9	L631 L632 Q633 I634	D71-L631 HydrophobicContact CB-CD1 3.99Å; D71-L631 HydrophobicContact CB-CD2 4.25Å; D71-L631 HydrophobicContact CB-CG 4.25Å; D71-L632 PolarHBondContact N-O 2.92Å; D71-Q633 HydrophobicContact CB-CG 4.36Å; D71-Q633 WeakPolarHBondContact O-CA 3.24Å; D71-I634 PolarHBondContact O-N 2.99Å
72	V	88.6	Confident	66.3	Low	47 Å²	47	74.4 Å²	74.4	29%	0.285	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	105.6	177.1	-176.7	0	0	0	0	108.2	V70 N74 A549 I634 M636	V70-V72 HydrophobicContact CG1-CG2 3.95Å; V72-N74 PolarHBondContact O-N 2.88Å; V72-A549 HydrophobicContact CG1-CB 3.86Å; V72-A549 HydrophobicContact CG2-CB 4.02Å; V72-I634 CarbonylContact C-O 3.54Å; V72-I634 WeakPolarHBondContact CA-O 3.48Å; V72-M636 HydrophobicContact CG1-CG 3.86Å
73	V	80.4	Confident	65.7	Low	23 Å²	23	75.3 Å²	75.3	14%	0.139	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118	176.4	-179.5	0	0	0	0	109.1	I634 D635 M636	V73-I634 PolarHBondContact N-O 3.22Å; V73-D635 HydrophobicContact CB-CB 4.49Å; V73-M636 PolarHBondContact O-N 2.83Å
74	N	67.5	Low	64.8	Low	102 Å²	102	69.6 Å²	69.6	55%	0.545	38%	0.379	S	S	.	.			trans	-119.8	77.6	172.2	-67.3	-60.2	0	0	0	108.8	V72	V72-N74 PolarHBondContact O-N 2.88Å
75	G	52.4	Low	63.7	Low	18 Å²	18	65.4 Å²	65.4	19%	0.186	36%	0.36	C	S	.	.	S	Bend	trans	170.5	165.7	172	0	0	0	0	0	116.3	S77	G75-S77 PolarHBondContact O-N 3.48Å
76	P	41.1	Very low	62.9	Low	82 Å²	82	57.9 Å²	57.9	53%	0.532	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.5	-178	-20	30.3	0	0	0	114.4	L275	P76-L275 HydrophobicContact CB-CB 4.2Å; P76-L275 HydrophobicContact CB-CD2 4.33Å; P76-L275 HydrophobicContact CG-CD2 4.22Å
77	S	34.7	Very low	61.9	Low	114 Å²	114	52.9 Å²	52.9	80%	0.797	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-14.6	-169.2	48.9	0	0	0	0	114.2	G75 R79	G75-S77 PolarHBondContact O-N 3.48Å; S77-R79 VanDerWaalsContact C-N 3.27Å; S77-R79 PolarHBondContact O-N 3.05Å; S77-R79 VanDerWaalsContact O-N 3.14Å
78	G	42.5	Very low	60.2	Low	24 Å²	24	58.2 Å²	58.2	25%	0.247	33%	0.327	C	S	.	.			trans	-90.1	59.1	179.2	0	0	0	0	0	111.6
79	R	49.8	Very low	58.8	Low	101 Å²	101	63.1 Å²	63.1	38%	0.381	35%	0.353	S	S	.	.			trans	-65.9	144.2	164.1	-73.7	178.5	172.1	-170.8	-10.1	108.1	S77 N81 D518	S77-R79 VanDerWaalsContact C-N 3.27Å; S77-R79 PolarHBondContact O-N 3.05Å; S77-R79 VanDerWaalsContact O-N 3.14Å; R79-N81 PolarHBondContact O-N 2.97Å; R79-D518 IonicContact CZ-OD1 2.85Å; R79-D518 VanDerWaalsContact CZ-OD1 3.31Å; R79-D518 IonicContact CZ-OD2 3.5Å; R79-D518 IonicContact NH1-OD1 3.64Å; R79-D518 PolarHBondContact NH1-OD1 3.35Å; R79-D518 IonicContact NH1-OD2 2.95Å; R79-D518 PolarHBondContact NH1-OD2 3.03Å; R79-D518 IonicContact NH2-OD1 3.82Å; R79-D518 PolarHBondContact NH2-OD1 2.98Å; R79-D518 IonicContact NH2-OD2 3.68Å; R79-D518 PolarHBondContact NH2-OD2 2.95Å
80	F	51.4	Low	57.8	Low	27 Å²	27	57.7 Å²	57.7	12%	0.118	33%	0.331	C	S	.	.			trans	-54.8	111.1	164.2	-67.8	-63.2	0	0	0	108.4	S82 P521 I624 Q633 D635	F80-S82 PolarHBondContact O-N 3.49Å; F80-P521 HydrophobicContact CD2-CG 3.97Å; F80-I624 HydrophobicContact CB-CD1 3.57Å; F80-I624 HydrophobicContact CD1-CB 3.69Å; F80-I624 HydrophobicContact CD1-CD1 3.21Å; F80-I624 HydrophobicContact CD1-CG1 3.45Å; F80-I624 VanDerWaalsContact CD1-CG1 3.45Å; F80-I624 HydrophobicContact CD2-CD1 3.73Å; F80-I624 HydrophobicContact CD2-CG1 4.2Å; F80-I624 HydrophobicContact CE1-CB 3.49Å; F80-I624 VanDerWaalsContact CE1-CB 3.49Å; F80-I624 HydrophobicContact CE1-CD1 3.71Å; F80-I624 HydrophobicContact CE1-CG1 3.36Å; F80-I624 HydrophobicContact CE2-CD1 4.18Å; F80-I624 HydrophobicContact CE2-CG1 4.13Å; F80-I624 HydrophobicContact CG-CD1 3.21Å; F80-I624 HydrophobicContact CG-CG1 3.88Å; F80-I624 HydrophobicContact CZ-CB 4.25Å; F80-I624 HydrophobicContact CZ-CD1 4.17Å; F80-I624 HydrophobicContact CZ-CG1 3.72Å; F80-Q633 HydrophobicContact CD1-CB 4.38Å; F80-Q633 HydrophobicContact CE1-CB 3.76Å; F80-D635 HydrophobicContact CE2-CB 4.38Å; F80-D635 HydrophobicContact CZ-CB 4.28Å
81	N	44.7	Very low	57.3	Low	160 Å²	160	60 Å²	60	86%	0.856	34%	0.337	S	S	*	.	S	Bend	trans	-64.5	-8.8	-178.4	-82.5	-28	0	0	0	113.2	R79	R79-N81 PolarHBondContact O-N 2.97Å
82	S	48.6	Very low	57	Low	38 Å²	38	57.2 Å²	57.2	27%	0.266	32%	0.323	S	S	.	.			trans	-165.1	133.3	-179	49.4	0	0	0	0	112.3	F80 Y603	F80-S82 PolarHBondContact O-N 3.49Å; S82-Y603 WeakPolarHBondContact OG-CD2 3.07Å; S82-Y603 WeakPolarHBondContact OG-CE2 3.31Å
83	Y	55.5	Low	56.6	Low	49 Å²	49	60.5 Å²	60.5	19%	0.192	34%	0.336	C	S	.	.			trans	-131.8	145.1	153.2	61.6	-86	0	0	0	108.3	S85 C514 K515 I519 P521 L527	Y83-S85 PolarHBondContact O-N 3.49Å; Y83-C514 WeakPolarHBondContact OH-CB 3.24Å; Y83-K515 PolarHBondContact OH-N 3.37Å; Y83-I519 PolarHBondContact OH-O 3.21Å; Y83-P521 HydrophobicContact CD1-CB 3.72Å; Y83-P521 HydrophobicContact CD1-CG 3.49Å; Y83-P521 VanDerWaalsContact CD1-CG 3.49Å; Y83-P521 HydrophobicContact CD2-CB 4.11Å; Y83-P521 HydrophobicContact CE1-CB 3.99Å; Y83-P521 HydrophobicContact CE1-CG 3.86Å; Y83-P521 HydrophobicContact CE2-CB 4.35Å; Y83-P521 HydrophobicContact CG-CB 3.77Å; Y83-P521 HydrophobicContact CG-CG 3.98Å; Y83-L527 HydrophobicContact CD2-CD1 4.46Å; Y83-L527 HydrophobicContact CD2-CD2 4.19Å; Y83-L527 HydrophobicContact CE2-CD2 4.33Å
84	A	49.8	Very low	56.8	Low	21 Å²	21	61.3 Å²	61.3	17%	0.174	34%	0.339	C	S	.	.			trans	-75.5	127.2	-175.5	0	0	0	0	0	110.8	Q577	A84-Q577 VanDerWaalsContact CB-CD 3.49Å; A84-Q577 VanDerWaalsContact CB-NE2 3.26Å; A84-Q577 PolarHBondContact O-NE2 3.4Å
85	S	51	Low	57.6	Low	25 Å²	25	59.7 Å²	59.7	18%	0.175	33%	0.328	C	S	.	.			trans	-65	127.9	176.1	155.4	0	0	0	0	110.5	Y83 S87 Q513 Q577	Y83-S85 PolarHBondContact O-N 3.49Å; S85-S87 VanDerWaalsContact C-N 3.34Å; S85-S87 PolarHBondContact O-N 2.96Å; S85-Q513 PolarHBondContact OG-NE2 3.26Å; S85-Q513 PolarHBondContact OG-OE1 3.29Å; S85-Q577 PolarHBondContact O-OE1 2.86Å
86	S	53.3	Low	59.2	Low	14 Å²	14	63.8 Å²	63.8	10%	0.098	35%	0.351	C	S	.	.	S	Bend	trans	-72.2	-12.4	-174.9	51.9	0	0	0	0	115.7	C526 S578	S86-C526 PolarHBondContact OG-O 2.91Å; S86-S578 WeakPolarHBondContact O-CB 3.26Å; S86-S578 PolarHBondContact O-N 2.55Å; S86-S578 PolarHBondContact O-OG 3.12Å
87	S	52.8	Low	61.6	Low	16 Å²	16	61.5 Å²	61.5	11%	0.112	33%	0.334	C	S	.	.			trans	-121.5	142.1	-172.9	71.3	0	0	0	0	115.8	S85 G90 F91	S85-S87 VanDerWaalsContact C-N 3.34Å; S85-S87 PolarHBondContact O-N 2.96Å; S87-G90 PolarHBondContact OG-N 3.26Å; S87-F91 WeakPolarHBondContact CB-O 3.18Å; S87-F91 PolarHBondContact OG-N 2.67Å; S87-F91 PolarHBondContact OG-O 3.28Å
88	K	46.1	Very low	64.4	Low	124 Å²	124	60.9 Å²	60.9	54%	0.539	32%	0.318	S	S	.	.	S	Bend	trans	-68.4	-44.7	174.9	-178.8	-178	177.3	-179.2	0	112.8	G90 F584	K88-G90 PolarHBondContact O-N 2.97Å; K88-F584 HydrophobicContact CD-CB 4.36Å; K88-F584 HydrophobicContact CG-CB 4.42Å
89	D	57.1	Low	66.9	Low	105 Å²	105	63.3 Å²	63.3	56%	0.561	33%	0.325	S	S	*	.	S	Bend	trans	-79.6	-6.8	-176.7	-60.7	-25.3	0	0	0	113.5	F91	D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 HydrophobicContact CB-CD2 3.38Å; D89-F91 HydrophobicContact CB-CE2 3.6Å; D89-F91 HydrophobicContact CB-CG 4.46Å; D89-F91 PolarHBondContact O-N 3.42Å
90	G	67.3	Low	69	Low	13 Å²	13	63.9 Å²	63.9	13%	0.134	34%	0.335	C	S	.	.			trans	80.4	3.1	-178.6	0	0	0	0	0	115.1	S87 K88 N511 Q513	S87-G90 PolarHBondContact OG-N 3.26Å; K88-G90 PolarHBondContact O-N 2.97Å; G90-N511 CarbonylContact O-C 3.45Å; G90-Q513 WeakPolarHBondContact O-CG 3.45Å; G90-Q513 PolarHBondContact O-NE2 3.14Å
91	F	78.9	Confident	70.9	Confident	89 Å²	89	63.9 Å²	63.9	39%	0.39	34%	0.336	S	S	.	.			trans	-79.1	142	177.2	-60.5	-65.2	0	0	0	112.9	S87 D89 Q93 A510 N511	S87-F91 WeakPolarHBondContact CB-O 3.18Å; S87-F91 PolarHBondContact OG-N 2.67Å; S87-F91 PolarHBondContact OG-O 3.28Å; D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 HydrophobicContact CB-CD2 3.38Å; D89-F91 HydrophobicContact CB-CE2 3.6Å; D89-F91 HydrophobicContact CB-CG 4.46Å; D89-F91 PolarHBondContact O-N 3.42Å; F91-Q93 PolarHBondContact O-N 2.95Å; F91-A510 HydrophobicContact CD1-CB 4.26Å; F91-A510 VanDerWaalsContact CD1-O 3.28Å; F91-A510 WeakPolarHBondContact CD1-O 3.42Å; F91-A510 HydrophobicContact CE1-CB 3.59Å; F91-N511 HydrophobicContact CD1-CB 4.26Å; F91-N511 HydrophobicContact CE1-CB 4.18Å
92	C	83.3	Confident	73.2	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.061	32%	0.322	C	S	.	.			trans	-76.2	105.7	166.1	179	0	0	0	0	110.8	L473 C526	C92-L473 HydrophobicContact CB-CD2 4.38Å; C92-C526 HydrophobicContact CB-CB 3.98Å; C92-C526 WeakPolarHBondContact CB-SG 3.26Å; C92-C526 WeakPolarHBondContact SG-CB 3.4Å; C92-C526 CovalentContact SG-SG 2.02Å; C92-C526 PolarHBondContact SG-SG 2.91Å
93	Q	80	Confident	75.2	Confident	116 Å²	116	62.6 Å²	62.6	54%	0.542	33%	0.329	S	S	.	.			trans	-90.9	111.7	171.1	-67.3	-172.9	-5.5	0	0	109.5	F91 C526	F91-Q93 PolarHBondContact O-N 2.95Å; Q93-C526 WeakPolarHBondContact O-CA 3.39Å
94	I	84.7	Confident	77	Confident	41 Å²	41	60.3 Å²	60.3	21%	0.21	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-89.8	135.9	176.5	-59.2	-176.2	0	0	0	108.2	K253 P525	I94-K253 HydrophobicContact CD1-CB 3.69Å; I94-K253 HydrophobicContact CD1-CD 3.89Å; I94-K253 HydrophobicContact CD1-CG 3.79Å; I94-K253 HydrophobicContact CG1-CD 4.46Å; I94-P525 HydrophobicContact CD1-CB 4.07Å; I94-P525 HydrophobicContact CD1-CG 3.95Å; I94-P525 HydrophobicContact CG1-CB 4.01Å; I94-P525 HydrophobicContact CG1-CG 4.1Å; I94-P525 HydrophobicContact CG2-CB 4.21Å
95	Q	83.7	Confident	79	Confident	68 Å²	68	62.8 Å²	62.8	32%	0.318	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-56.4	134.2	174.7	-67.7	-172.5	-16.3	0	0	110.6	L440	Q95-L440 HydrophobicContact CB-CD1 3.7Å; Q95-L440 HydrophobicContact CB-CD2 4.17Å
96	P	86.5	Confident	81	Confident	103 Å²	103	71.8 Å²	71.8	67%	0.669	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-56.4	142.4	176.9	-24.4	33.8	0	0	0	111.9
97	Q	91.8	Very high	82.8	Confident	35 Å²	35	73.6 Å²	73.6	16%	0.164	37%	0.368	C	S	.	.			trans	-123.6	137.6	174.5	-55.4	175.7	17.1	0	0	108.3	L229 L440	Q97-L229 HydrophobicContact CB-CD1 3.52Å; Q97-L229 HydrophobicContact CB-CG 4.5Å; Q97-L440 HydrophobicContact CG-CB 4.06Å; Q97-L440 HydrophobicContact CG-CD1 4.33Å; Q97-L440 PolarHBondContact NE2-O 3.39Å
98	H	94.2	Very high	84.8	Confident	101 Å²	101	74.7 Å²	74.7	47%	0.468	37%	0.372	S	S	.	.			trans	-111.9	127.3	-172.4	-60.7	-79.9	0	0	0	111.2	D100 D101 R233 Q437	H98-D100 PolarHBondContact O-N 2.87Å; H98-D101 HydrophobicContact CB-CB 4.27Å; H98-D101 PolarHBondContact O-N 2.76Å; H98-R233 PolarHBondContact O-NH2 3Å; H98-Q437 PolarHBondContact O-NE2 2.66Å
99	L	94.4	Very high	87	Confident	74 Å²	74	75.9 Å²	75.9	39%	0.387	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.7	-179.5	-174.4	65.9	0	0	0	111.5	L229 M232 R233	L99-L229 HydrophobicContact CD1-CB 4.29Å; L99-L229 HydrophobicContact CD1-CD2 4.23Å; L99-M232 HydrophobicContact CD1-CB 3.8Å; L99-M232 HydrophobicContact CD2-CE 4.42Å; L99-R233 HydrophobicContact CD1-CG 3.64Å; L99-R233 HydrophobicContact CG-CG 4.44Å; L99-R233 PolarHBondContact O-NE 2.61Å; L99-R233 PolarHBondContact O-NH2 2.81Å
100	D	93.3	Very high	88.7	Confident	114 Å²	114	78.6 Å²	78.6	61%	0.61	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	25.5	-177.1	61.7	-31.7	0	0	0	113.8	H98 P102 N105	H98-D100 PolarHBondContact O-N 2.87Å; D100-P102 WeakPolarHBondContact O-CD 3.27Å; D100-N105 VanDerWaalsContact CA-ND2 3.31Å; D100-N105 WeakPolarHBondContact CA-ND2 3.25Å; D100-N105 PolarHBondContact O-ND2 2.91Å
101	D	92.8	Very high	89.9	Confident	26 Å²	26	78.7 Å²	78.7	14%	0.139	38%	0.384	C	S	.	.			trans	-51.1	126.7	175.5	178.2	-88.6	0	0	0	112.3	H98 E103 I104 N105 Q437	H98-D101 HydrophobicContact CB-CB 4.27Å; H98-D101 PolarHBondContact O-N 2.76Å; D101-E103 VanDerWaalsContact C-N 3.35Å; D101-E103 PolarHBondContact O-N 3.42Å; D101-E103 WeakPolarHBondContact OD1-CA 3.36Å; D101-E103 VanDerWaalsContact OD1-CB 3.29Å; D101-E103 WeakPolarHBondContact OD1-CB 3.45Å; D101-E103 PolarHBondContact OD1-N 3.48Å; D101-I104 HydrophobicContact CB-CB 4.17Å; D101-I104 HydrophobicContact CB-CG1 4.07Å; D101-I104 PolarHBondContact O-N 3.14Å; D101-I104 WeakPolarHBondContact OD1-CG1 3.23Å; D101-I104 PolarHBondContact OD1-N 3.27Å; D101-N105 VanDerWaalsContact O-CB 3.28Å; D101-N105 WeakPolarHBondContact O-CB 3.37Å; D101-N105 PolarHBondContact O-N 3.45Å; D101-Q437 VanDerWaalsContact CB-CD 3.42Å; D101-Q437 VanDerWaalsContact CB-NE2 3.25Å; D101-Q437 VanDerWaalsContact CB-OE1 3.28Å; D101-Q437 PolarHBondContact OD2-OE1 3.33Å
102	P	92.4	Very high	90.6	Very high	84 Å²	84	83.3 Å²	83.3	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-31.4	-178.2	-27.5	35.3	0	0	0	115.6	D100 R106	D100-P102 WeakPolarHBondContact O-CD 3.27Å; P102-R106 WeakPolarHBondContact O-CD 3.39Å; P102-R106 VanDerWaalsContact O-CG 3.27Å; P102-R106 WeakPolarHBondContact O-CG 3.3Å
103	E	89.5	Confident	91.1	Very high	88 Å²	88	88.3 Å²	88.3	41%	0.411	44%	0.436	S	S	.	.	H	α-helix	trans	-69.9	-43	176.7	-60.1	-171	162	0	0	110.2	D101 T435 S436	D101-E103 VanDerWaalsContact C-N 3.35Å; D101-E103 PolarHBondContact O-N 3.42Å; D101-E103 WeakPolarHBondContact OD1-CA 3.36Å; D101-E103 VanDerWaalsContact OD1-CB 3.29Å; D101-E103 WeakPolarHBondContact OD1-CB 3.45Å; D101-E103 PolarHBondContact OD1-N 3.48Å; E103-T435 HydrophobicContact CB-CG2 3.91Å; E103-T435 VanDerWaalsContact OE2-CB 3.29Å; E103-T435 WeakPolarHBondContact OE2-CB 3.36Å; E103-S436 PolarHBondContact OE2-N 3.19Å; E103-S436 VanDerWaalsContact OE2-N 3.13Å
104	I	92.8	Very high	91.8	Very high	0 Å²	0	85.5 Å²	85.5	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-70.5	-46.7	178.2	-59.5	-55.8	0	0	0	111.7	D101 R106 L107 M108 V432 T435 Q437	D101-I104 HydrophobicContact CB-CB 4.17Å; D101-I104 HydrophobicContact CB-CG1 4.07Å; D101-I104 PolarHBondContact O-N 3.14Å; D101-I104 WeakPolarHBondContact OD1-CG1 3.23Å; D101-I104 PolarHBondContact OD1-N 3.27Å; I104-R106 PolarHBondContact O-N 2.88Å; I104-L107 WeakPolarHBondContact O-CA 3.45Å; I104-L107 WeakPolarHBondContact O-CB 3.1Å; I104-L107 PolarHBondContact O-N 2.98Å; I104-M108 HydrophobicContact CG2-CE 3.71Å; I104-M108 HydrophobicContact CG2-CG 4.4Å; I104-M108 HydrophobicContact CG2-SD 4.34Å; I104-M108 PolarHBondContact O-N 3.49Å; I104-V432 HydrophobicContact CD1-CB 4.47Å; I104-V432 HydrophobicContact CD1-CG1 3.8Å; I104-V432 HydrophobicContact CD1-CG2 4.5Å; I104-T435 HydrophobicContact CD1-CG2 4.26Å; I104-T435 WeakPolarHBondContact CD1-OG1 3.46Å; I104-Q437 HydrophobicContact CD1-CB 4.43Å; I104-Q437 HydrophobicContact CG1-CB 4.11Å; I104-Q437 HydrophobicContact CG1-CG 4.2Å
105	N	92.7	Very high	92.3	Very high	73 Å²	73	88.5 Å²	88.5	39%	0.39	45%	0.449	S	S	.	.	H	α-helix	trans	-58.3	-35.6	-175.7	-84.7	-16.4	0	0	0	112.9	D100 D101 L107 M108	D100-N105 VanDerWaalsContact CA-ND2 3.31Å; D100-N105 WeakPolarHBondContact CA-ND2 3.25Å; D100-N105 PolarHBondContact O-ND2 2.91Å; D101-N105 VanDerWaalsContact O-CB 3.28Å; D101-N105 WeakPolarHBondContact O-CB 3.37Å; D101-N105 PolarHBondContact O-N 3.45Å; N105-L107 PolarHBondContact O-N 2.97Å; N105-M108 PolarHBondContact O-N 3.25Å; N105-M108 VanDerWaalsContact O-N 3.14Å
106	R	92.7	Very high	92.9	Very high	215 Å²	215	86.4 Å²	86.4	81%	0.811	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.4	175.7	-71.5	171	-177.8	176.6	2.2	113.6	P102 I104	P102-R106 WeakPolarHBondContact O-CD 3.39Å; P102-R106 VanDerWaalsContact O-CG 3.27Å; P102-R106 WeakPolarHBondContact O-CG 3.3Å; I104-R106 PolarHBondContact O-N 2.88Å
107	L	92.7	Very high	93.3	Very high	51 Å²	51	84 Å²	84	27%	0.267	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.9	179.2	-55.5	175.4	0	0	0	112.2	I104 N105 V432 T435	I104-L107 WeakPolarHBondContact O-CA 3.45Å; I104-L107 WeakPolarHBondContact O-CB 3.1Å; I104-L107 PolarHBondContact O-N 2.98Å; N105-L107 PolarHBondContact O-N 2.97Å; L107-V432 HydrophobicContact CB-CG2 4.08Å; L107-V432 HydrophobicContact CD1-CB 4.41Å; L107-V432 HydrophobicContact CD1-CG2 3.81Å; L107-T435 HydrophobicContact CD1-CG2 3.87Å
108	M	93.4	Very high	93.4	Very high	40 Å²	40	92.2 Å²	92.2	20%	0.197	47%	0.466	C	S	.	.			trans	-79.2	123	178.6	-61.6	-59.2	102.2	0	0	110.4	I104 N105 Q230 H391 V432	I104-M108 HydrophobicContact CG2-CE 3.71Å; I104-M108 HydrophobicContact CG2-CG 4.4Å; I104-M108 HydrophobicContact CG2-SD 4.34Å; I104-M108 PolarHBondContact O-N 3.49Å; N105-M108 PolarHBondContact O-N 3.25Å; N105-M108 VanDerWaalsContact O-N 3.14Å; M108-Q230 PolarHBondContact SD-OE1 2.89Å; M108-H391 WeakPolarHBondContact CE-NE2 3.3Å; M108-V432 HydrophobicContact CE-CG2 3.76Å
109	R	93.4	Very high	93.5	Very high	149 Å²	149	90.6 Å²	90.6	56%	0.562	46%	0.459	S	S	*	.			trans	-126.1	161	172.8	58.7	175.2	178.7	-136	6.2	112.2	K234 D390 N392	R109-K234 PolarHBondContact O-NZ 3.34Å; R109-D390 IonicContact CZ-OD2 3.61Å; R109-D390 IonicContact NE-OD2 3.79Å; R109-D390 PolarHBondContact NE-OD2 3.49Å; R109-D390 VanDerWaalsContact NH2-CG 3.33Å; R109-D390 IonicContact NH2-OD1 2.72Å; R109-D390 IonicContact NH2-OD2 3.74Å; R109-D390 PolarHBondContact NH2-OD2 2.87Å; R109-N392 HydrophobicContact CG-CB 3.77Å; R109-N392 WeakPolarHBondContact CG-ND2 3.46Å; R109-N392 PolarHBondContact N-OD1 3.15Å; R109-N392 PolarHBondContact O-OD1 3.15Å; R109-N392 VanDerWaalsContact O-OD1 3.1Å
110	I	91.8	Very high	93.6	Very high	162 Å²	162	92.5 Å²	92.5	83%	0.831	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-92.4	118.1	170.6	-59.1	174.2	0	0	0	106.9
111	P	93.7	Very high	93.8	Very high	14 Å²	14	87.7 Å²	87.7	9%	0.091	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-67.6	157.5	175.7	31.1	-35.9	0	0	0	110.5	N392 M393 S395 L396	P111-N392 WeakPolarHBondContact CG-O 3.17Å; P111-M393 HydrophobicContact CB-SD 3.73Å; P111-S395 WeakPolarHBondContact CD-OG 3.31Å; P111-S395 VanDerWaalsContact CG-OG 3.27Å; P111-S395 WeakPolarHBondContact CG-OG 3.3Å; P111-L396 HydrophobicContact CB-CD1 4.38Å; P111-L396 HydrophobicContact CB-CD2 4.48Å; P111-L396 HydrophobicContact CB-CG 4.39Å; P111-L396 HydrophobicContact CG-CD1 4.35Å; P111-L396 HydrophobicContact CG-CD2 3.85Å; P111-L396 HydrophobicContact CG-CG 3.83Å
112	K	93.3	Very high	94.1	Very high	187 Å²	187	86.9 Å²	86.9	81%	0.813	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-63	140.4	168.4	-68.9	-177.1	179.9	-179.7	0	108.7
113	P	93.9	Very high	94.3	Very high	114 Å²	114	82.9 Å²	82.9	74%	0.74	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-53.2	142.5	172.4	-25.8	34.6	0	0	0	111.4	S115	P113-S115 PolarHBondContact O-N 2.81Å
114	L	94.4	Very high	94.6	Very high	57 Å²	57	82.6 Å²	82.6	30%	0.298	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67.3	130.1	174.1	-175.8	65.8	0	0	0	109.2	L350 P356 Y386 L396	L114-L350 HydrophobicContact CD1-CB 3.85Å; L114-L350 HydrophobicContact CD1-CD1 4.12Å; L114-L350 HydrophobicContact CD2-CB 4.35Å; L114-P356 HydrophobicContact CD2-CB 3.91Å; L114-P356 HydrophobicContact CD2-CG 4.31Å; L114-Y386 WeakPolarHBondContact CD2-OH 3.49Å; L114-L396 HydrophobicContact CB-CD1 4.42Å
115	S	94.3	Very high	94.8	Very high	104 Å²	104	83.3 Å²	83.3	73%	0.727	42%	0.415	S	S	*	.			trans	-113.1	92.2	177.4	-177.3	0	0	0	0	109.4	P113	P113-S115 PolarHBondContact O-N 2.81Å
116	C	96.6	Very high	94.9	Very high	24 Å²	24	85.5 Å²	85.5	16%	0.162	42%	0.421	C	S	.	.			trans	-80.1	-177.3	169.9	-61.1	0	0	0	0	111.2	K118 C351 G353 S354	C116-K118 PolarHBondContact O-N 3.35Å; C116-C351 WeakPolarHBondContact CA-SG 3.35Å; C116-C351 HydrophobicContact CB-CB 3.71Å; C116-C351 WeakPolarHBondContact CB-SG 3.36Å; C116-C351 WeakPolarHBondContact SG-CB 3.39Å; C116-C351 CovalentContact SG-SG 2.05Å; C116-C351 PolarHBondContact SG-SG 2.89Å; C116-G353 WeakPolarHBondContact CB-O 3.47Å; C116-S354 WeakPolarHBondContact CB-O 3.47Å
117	A	95.4	Very high	95	Very high	52 Å²	52	79.1 Å²	79.1	43%	0.43	40%	0.403	S	S	.	.			trans	-59.3	140	178	0	0	0	0	0	110.4	E119 G353 S354	A117-E119 VanDerWaalsContact C-N 3.35Å; A117-G353 VanDerWaalsContact CB-C 3.44Å; A117-G353 VanDerWaalsContact CB-O 3.32Å; A117-G353 WeakPolarHBondContact CB-O 3.45Å; A117-G353 PolarHBondContact N-O 3.14Å; A117-S354 WeakPolarHBondContact O-CA 3.31Å; A117-S354 WeakPolarHBondContact O-CB 3.41Å
118	K	93.8	Very high	95.1	Very high	208 Å²	208	77 Å²	77	90%	0.904	39%	0.394	S	S	*	.	S	Bend	trans	-76.5	-26.2	-178.9	-66.9	-175.3	179	-179.4	0	113.2	C116	C116-K118 PolarHBondContact O-N 3.35Å
119	E	95.5	Very high	95.3	Very high	67 Å²	67	80.4 Å²	80.4	31%	0.313	41%	0.405	S	S	.	.	S	Bend	trans	-88.9	135.1	177.1	169.1	159.2	-136.5	0	0	109.6	A117 R139 H140 S354	A117-E119 VanDerWaalsContact C-N 3.35Å; E119-R139 WeakPolarHBondContact OE1-CD 3.32Å; E119-R139 IonicContact OE1-CZ 3.73Å; E119-R139 IonicContact OE1-NE 3.88Å; E119-R139 IonicContact OE1-NH1 2.77Å; E119-R139 PolarHBondContact OE1-NH1 3.48Å; E119-R139 IonicContact OE2-NH1 3.74Å; E119-H140 IonicContact OE1-CD2 3.39Å; E119-H140 IonicContact OE1-CE1 3.82Å; E119-H140 IonicContact OE1-NE2 3.63Å; E119-H140 PolarHBondContact OE1-NE2 3.46Å; E119-H140 IonicContact OE2-NE2 2.77Å; E119-S354 WeakPolarHBondContact O-CB 3.48Å
120	D	96.9	Very high	95.5	Very high	114 Å²	114	73.3 Å²	73.3	61%	0.61	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-61.6	147.5	177.9	-68.2	-35.3	0	0	0	112	W122 S354	D120-W122 PolarHBondContact O-N 2.87Å; D120-S354 WeakPolarHBondContact CA-OG 3.31Å
121	N	98	Very high	95.8	Very high	13 Å²	13	67.9 Å²	67.9	7%	0.07	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-55.1	127.7	176.2	-73.9	-17.5	0	0	0	110.8	V123 T133 Y189 N191 Y352 G353 S354 E355	N121-V123 PolarHBondContact O-N 3.48Å; N121-T133 WeakPolarHBondContact O-CG2 3.41Å; N121-T133 PolarHBondContact O-OG1 3.4Å; N121-Y189 HydrophobicContact CB-CE2 4.47Å; N121-N191 PolarHBondContact ND2-ND2 2.84Å; N121-N191 PolarHBondContact OD1-ND2 3.27Å; N121-N191 VanDerWaalsContact OD1-ND2 3.14Å; N121-Y352 PolarHBondContact ND2-O 3.38Å; N121-Y352 PolarHBondContact OD1-O 3.08Å; N121-G353 VanDerWaalsContact OD1-CA 3.24Å; N121-G353 WeakPolarHBondContact OD1-CA 3.39Å; N121-S354 PolarHBondContact N-OG 3.28Å; N121-S354 PolarHBondContact OD1-N 2.86Å; N121-E355 PolarHBondContact ND2-OE2 3.46Å
122	W	98.1	Very high	96	Very high	8 Å²	8	68.2 Å²	68.2	3%	0.03	35%	0.35	C	S	.	.	S	Bend	trans	-67.1	-21.7	179.6	-68.8	7.7	0	0	0	113.3	D120 I132 T133 A136 H140 I143 C181 A183 T187 Y189	D120-W122 PolarHBondContact O-N 2.87Å; W122-I132 CarbonylContact O-C 3.57Å; W122-I132 WeakPolarHBondContact O-CA 3.43Å; W122-T133 PolarHBondContact O-N 3.43Å; W122-T133 PolarHBondContact O-OG1 2.79Å; W122-A136 HydrophobicContact CB-CB 3.75Å; W122-A136 HydrophobicContact CD2-CB 4.25Å; W122-A136 HydrophobicContact CG-CB 3.59Å; W122-H140 AromaticContact CE2-CD2 3.44Å; W122-H140 VanDerWaalsContact CE2-CD2 3.44Å; W122-H140 AromaticContact CE2-NE2 3.67Å; W122-H140 HydrophobicContact CZ2-CB 4.47Å; W122-H140 AromaticContact CZ2-CD2 3.31Å; W122-H140 WeakPolarHBondContact CZ2-CD2 3.07Å; W122-H140 AromaticContact CZ2-CE1 3.88Å; W122-H140 AromaticContact CZ2-CG 3.75Å; W122-H140 AromaticContact CZ2-NE2 3.43Å; W122-H140 WeakPolarHBondContact CZ2-NE2 3.06Å; W122-H140 AromaticContact NE1-CD2 3.49Å; W122-H140 PolarHBondContact NE1-CD2 3.27Å; W122-H140 AromaticContact NE1-NE2 3.48Å; W122-H140 PolarHBondContact NE1-NE2 2.78Å; W122-I143 HydrophobicContact CD2-CD1 4.29Å; W122-I143 HydrophobicContact CE3-CD1 3.92Å; W122-I143 HydrophobicContact CE3-CG1 4.39Å; W122-I143 HydrophobicContact CE3-CG2 4.16Å; W122-I143 HydrophobicContact CZ3-CD1 4.44Å; W122-I143 HydrophobicContact CZ3-CG2 4.45Å; W122-C181 HydrophobicContact CE3-CB 4.07Å; W122-C181 HydrophobicContact CZ3-CB 4.21Å; W122-A183 HydrophobicContact CH2-CB 3.84Å; W122-A183 HydrophobicContact CZ3-CB 3.91Å; W122-T187 WeakPolarHBondContact CH2-OG1 3.31Å; W122-T187 WeakPolarHBondContact CZ2-OG1 3.33Å; W122-Y189 HydrophobicContact CB-CD1 4.14Å; W122-Y189 HydrophobicContact CB-CD2 3.9Å; W122-Y189 HydrophobicContact CB-CE1 4.32Å; W122-Y189 HydrophobicContact CB-CE2 4.09Å; W122-Y189 HydrophobicContact CB-CG 3.92Å; W122-Y189 VanDerWaalsContact CD2-CB 3.44Å; W122-Y189 AromaticContact CD2-CD2 3.99Å; W122-Y189 HydrophobicContact CD2-CD2 3.99Å; W122-Y189 AromaticContact CD2-CG 3.83Å; W122-Y189 HydrophobicContact CD2-CG 3.83Å; W122-Y189 AromaticContact CE3-CG 3.89Å; W122-Y189 HydrophobicContact CE3-CG 3.89Å; W122-Y189 AromaticContact CG-CD2 3.71Å; W122-Y189 HydrophobicContact CG-CD2 3.71Å; W122-Y189 HydrophobicContact CG-CE2 4.27Å; W122-Y189 AromaticContact CG-CG 3.87Å; W122-Y189 HydrophobicContact CG-CG 3.87Å; W122-Y189 VanDerWaalsContact CZ3-CB 3.46Å
123	V	97.7	Very high	96.2	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.4	-176.8	167.7	0	0	0	0	109	N121 V125 F130 F131 V179 Y189 H193	N121-V123 PolarHBondContact O-N 3.48Å; V123-V125 HydrophobicContact CG1-CG1 4.42Å; V123-F130 HydrophobicContact CB-CE2 4.13Å; V123-F130 HydrophobicContact CB-CZ 4.45Å; V123-F130 HydrophobicContact CG1-CD2 3.62Å; V123-F130 HydrophobicContact CG1-CE2 3.26Å; V123-F130 HydrophobicContact CG1-CZ 3.96Å; V123-F130 HydrophobicContact CG2-CE2 3.71Å; V123-F130 HydrophobicContact CG2-CZ 3.6Å; V123-F131 VanDerWaalsContact CA-O 3.29Å; V123-F131 WeakPolarHBondContact CA-O 2.84Å; V123-V179 HydrophobicContact CG1-CG2 4.48Å; V123-V179 HydrophobicContact CG2-CG1 4.11Å; V123-Y189 HydrophobicContact CB-CE1 4.19Å; V123-Y189 HydrophobicContact CG2-CE1 4.25Å; V123-H193 PolarHBondContact O-CE1 3.39Å
124	H	95.6	Very high	96.3	Very high	82 Å²	82	59.1 Å²	59.1	38%	0.38	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.6	162.4	69.1	-82.5	0	0	0	109.8	F131	H124-F131 AromaticContact CD2-CD2 3.73Å; H124-F131 WeakPolarHBondContact CE1-CB 3.46Å; H124-F131 AromaticContact CE1-CG 3.8Å; H124-F131 PolarHBondContact N-O 2.88Å; H124-F131 WeakPolarHBondContact NE2-CB 3.33Å; H124-F131 AromaticContact NE2-CD2 3.52Å; H124-F131 AromaticContact NE2-CG 3.51Å; H124-F131 PolarHBondContact O-N 3.26Å
125	V	96.4	Very high	96.4	Very high	14 Å²	14	62.4 Å²	62.4	9%	0.085	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.6	178.5	-71.5	0	0	0	0	108.5	V123 Y129 F130 M177 H193 N195	V123-V125 HydrophobicContact CG1-CG1 4.42Å; V125-Y129 CarbonylContact C-O 3.43Å; V125-Y129 VanDerWaalsContact CA-O 3.26Å; V125-Y129 WeakPolarHBondContact CA-O 3.43Å; V125-F130 HydrophobicContact CG1-CD2 4.29Å; V125-M177 HydrophobicContact CG1-CE 3.95Å; V125-M177 HydrophobicContact CG1-SD 3.8Å; V125-H193 HydrophobicContact CG1-CB 4.32Å; V125-H193 HydrophobicContact CG2-CB 3.6Å; V125-N195 HydrophobicContact CB-CB 4.03Å; V125-N195 WeakPolarHBondContact CB-OD1 3.43Å; V125-N195 HydrophobicContact CG2-CB 3.77Å
126	K	95.5	Very high	96.6	Very high	120 Å²	120	57.7 Å²	57.7	52%	0.522	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	134.5	-178.5	-166.8	167	-172.4	167.9	0	110.9	G128 Y129	K126-G128 PolarHBondContact O-N 3.1Å; K126-G128 VanDerWaalsContact O-N 3.14Å; K126-Y129 PolarHBondContact N-O 3.11Å; K126-Y129 PolarHBondContact O-N 2.99Å
127	N	93.9	Very high	96.6	Very high	81 Å²	81	58.8 Å²	58.8	43%	0.433	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.3	174.8	-166.5	53	0	0	0	114	Y129 P198	N127-Y129 VanDerWaalsContact O-CD2 3.27Å; N127-Y129 WeakPolarHBondContact O-CD2 3.48Å; N127-P198 WeakPolarHBondContact OD1-CG 3.41Å
128	G	95.8	Very high	96.7	Very high	6 Å²	6	60.7 Å²	60.7	6%	0.062	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	22.2	-177.2	0	0	0	0	0	115.6	K126 S171 V172 N195 V196	K126-G128 PolarHBondContact O-N 3.1Å; K126-G128 VanDerWaalsContact O-N 3.14Å; G128-S171 WeakPolarHBondContact O-CA 3.43Å; G128-V172 PolarHBondContact O-N 3.02Å; G128-N195 PolarHBondContact N-ND2 3.21Å; G128-V196 PolarHBondContact N-O 3.48Å
129	Y	97.5	Very high	96.8	Very high	111 Å²	111	58.3 Å²	58.3	44%	0.435	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.7	172.7	-66	-90.1	0	0	0	111.9	V125 K126 N127 F131 S170	V125-Y129 CarbonylContact C-O 3.43Å; V125-Y129 VanDerWaalsContact CA-O 3.26Å; V125-Y129 WeakPolarHBondContact CA-O 3.43Å; K126-Y129 PolarHBondContact N-O 3.11Å; K126-Y129 PolarHBondContact O-N 2.99Å; N127-Y129 VanDerWaalsContact O-CD2 3.27Å; N127-Y129 WeakPolarHBondContact O-CD2 3.48Å; Y129-F131 VanDerWaalsContact CB-CE2 3.43Å; Y129-F131 HydrophobicContact CG-CZ 4.38Å; Y129-S170 WeakPolarHBondContact CA-O 3.4Å
130	F	97.9	Very high	96.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.1	176.4	170.7	-86.2	0	0	0	110.5	V123 V125 I132 C145 C147 V166 N169 S170 V172 V179	V123-F130 HydrophobicContact CB-CE2 4.13Å; V123-F130 HydrophobicContact CB-CZ 4.45Å; V123-F130 HydrophobicContact CG1-CD2 3.62Å; V123-F130 HydrophobicContact CG1-CE2 3.26Å; V123-F130 HydrophobicContact CG1-CZ 3.96Å; V123-F130 HydrophobicContact CG2-CE2 3.71Å; V123-F130 HydrophobicContact CG2-CZ 3.6Å; V125-F130 HydrophobicContact CG1-CD2 4.29Å; F130-I132 HydrophobicContact CE1-CD1 4.25Å; F130-I132 HydrophobicContact CE1-CG1 3.66Å; F130-I132 HydrophobicContact CZ-CG1 4.03Å; F130-C145 HydrophobicContact CE1-CB 4.4Å; F130-C145 HydrophobicContact CE2-CB 4.49Å; F130-C145 HydrophobicContact CZ-CB 3.68Å; F130-C147 VanDerWaalsContact CE2-SG 3.53Å; F130-V166 HydrophobicContact CB-CG1 4.37Å; F130-V166 HydrophobicContact CD1-CG1 3.71Å; F130-V166 HydrophobicContact CD2-CG1 4.47Å; F130-V166 HydrophobicContact CE1-CG1 4.04Å; F130-V166 HydrophobicContact CG-CG1 3.96Å; F130-N169 WeakPolarHBondContact O-CA 3.22Å; F130-N169 PolarHBondContact O-N 3.05Å; F130-S170 PolarHBondContact N-O 2.99Å; F130-V172 HydrophobicContact CB-CG1 3.57Å; F130-V179 HydrophobicContact CE2-CG1 3.98Å; F130-V179 HydrophobicContact CE2-CG2 4.19Å; F130-V179 HydrophobicContact CZ-CG1 4.48Å
131	F	98	Very high	96.9	Very high	49 Å²	49	51.8 Å²	51.8	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.6	179.4	-56.2	-89.5	0	0	0	110.6	V123 H124 Y129 S168 N169	V123-F131 VanDerWaalsContact CA-O 3.29Å; V123-F131 WeakPolarHBondContact CA-O 2.84Å; H124-F131 AromaticContact CD2-CD2 3.73Å; H124-F131 WeakPolarHBondContact CE1-CB 3.46Å; H124-F131 AromaticContact CE1-CG 3.8Å; H124-F131 PolarHBondContact N-O 2.88Å; H124-F131 WeakPolarHBondContact NE2-CB 3.33Å; H124-F131 AromaticContact NE2-CD2 3.52Å; H124-F131 AromaticContact NE2-CG 3.51Å; H124-F131 PolarHBondContact O-N 3.26Å; Y129-F131 VanDerWaalsContact CB-CE2 3.43Å; Y129-F131 HydrophobicContact CG-CZ 4.38Å; F131-S168 WeakPolarHBondContact CA-OG 3.33Å; F131-N169 WeakPolarHBondContact CD1-OD1 3.24Å; F131-N169 WeakPolarHBondContact CE1-OD1 3.36Å
132	I	97.9	Very high	96.8	Very high	21 Å²	21	58.3 Å²	58.3	11%	0.108	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.3	165.6	-58.2	174	0	0	0	106.6	W122 F130 S137 I143 S168	W122-I132 CarbonylContact O-C 3.57Å; W122-I132 WeakPolarHBondContact O-CA 3.43Å; F130-I132 HydrophobicContact CE1-CD1 4.25Å; F130-I132 HydrophobicContact CE1-CG1 3.66Å; F130-I132 HydrophobicContact CZ-CG1 4.03Å; I132-S137 WeakPolarHBondContact CG2-OG 3.49Å; I132-I143 HydrophobicContact CD1-CB 4.2Å; I132-I143 HydrophobicContact CD1-CG2 4.09Å; I132-I143 HydrophobicContact CG2-CB 4.13Å; I132-I143 HydrophobicContact CG2-CD1 3.77Å; I132-I143 HydrophobicContact CG2-CG2 4.29Å; I132-S168 PolarHBondContact N-OG 3.43Å
133	T	97.3	Very high	96.8	Very high	18 Å²	18	58.7 Å²	58.7	11%	0.11	30%	0.303	C	S	.	.			trans	-67.2	137.7	-178	57.6	0	0	0	0	110.5	N121 W122 E135 A136 S137	N121-T133 WeakPolarHBondContact O-CG2 3.41Å; N121-T133 PolarHBondContact O-OG1 3.4Å; W122-T133 PolarHBondContact O-N 3.43Å; W122-T133 PolarHBondContact O-OG1 2.79Å; T133-E135 PolarHBondContact O-N 3.49Å; T133-A136 PolarHBondContact O-N 2.86Å; T133-A136 WeakPolarHBondContact OG1-CB 3.42Å; T133-A136 PolarHBondContact OG1-N 3.05Å; T133-S137 PolarHBondContact O-N 2.9Å; T133-S137 VanDerWaalsContact O-N 3.16Å; T133-S137 PolarHBondContact O-OG 3.04Å
134	P	96.6	Very high	96.8	Very high	91 Å²	91	61.5 Å²	61.5	59%	0.591	32%	0.32	S	S	*	.	H	α-helix	trans	-55.9	-35.6	173.9	-25.9	34.8	0	0	0	112.4	S137 A138	P134-S137 PolarHBondContact O-N 3.11Å; P134-A138 VanDerWaalsContact O-CB 3.26Å; P134-A138 WeakPolarHBondContact O-CB 3.4Å; P134-A138 PolarHBondContact O-N 2.94Å
135	E	96.8	Very high	96.9	Very high	127 Å²	127	57.6 Å²	57.6	59%	0.593	30%	0.302	S	S	*	.	H	α-helix	trans	-64.5	-43.9	-180	-62.9	71.2	-153.9	0	0	111.7	T133 A138 R139	T133-E135 PolarHBondContact O-N 3.49Å; E135-A138 PolarHBondContact O-N 3.15Å; E135-R139 WeakPolarHBondContact O-CB 3.42Å; E135-R139 PolarHBondContact O-N 3.18Å
136	A	97.3	Very high	97	Very high	4 Å²	4	59 Å²	59	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-43	176.3	0	0	0	0	0	111.6	W122 T133 A138 R139 H140 I143	W122-A136 HydrophobicContact CB-CB 3.75Å; W122-A136 HydrophobicContact CD2-CB 4.25Å; W122-A136 HydrophobicContact CG-CB 3.59Å; T133-A136 PolarHBondContact O-N 2.86Å; T133-A136 WeakPolarHBondContact OG1-CB 3.42Å; T133-A136 PolarHBondContact OG1-N 3.05Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.39Å; A136-R139 PolarHBondContact O-N 3Å; A136-H140 PolarHBondContact O-N 3.38Å; A136-I143 HydrophobicContact CB-CD1 3.75Å
137	S	96.6	Very high	97.1	Very high	48 Å²	48	53.4 Å²	53.4	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-38.9	177.3	-56.2	0	0	0	0	112	I132 T133 P134 R139 G141	I132-S137 WeakPolarHBondContact CG2-OG 3.49Å; T133-S137 PolarHBondContact O-N 2.9Å; T133-S137 VanDerWaalsContact O-N 3.16Å; T133-S137 PolarHBondContact O-OG 3.04Å; P134-S137 PolarHBondContact O-N 3.11Å; S137-R139 VanDerWaalsContact C-N 3.29Å; S137-R139 PolarHBondContact O-N 2.8Å; S137-G141 WeakPolarHBondContact O-CA 3.44Å; S137-G141 PolarHBondContact O-N 3.02Å
138	A	97.1	Very high	97.3	Very high	91 Å²	91	51.9 Å²	51.9	75%	0.752	28%	0.275	S	S	*	.	H	α-helix	trans	-66.6	-31.4	176.7	0	0	0	0	0	112.6	P134 E135 A136	P134-A138 VanDerWaalsContact O-CB 3.26Å; P134-A138 WeakPolarHBondContact O-CB 3.4Å; P134-A138 PolarHBondContact O-N 2.94Å; E135-A138 PolarHBondContact O-N 3.15Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.39Å
139	R	96.7	Very high	97.4	Very high	159 Å²	159	51.7 Å²	51.7	60%	0.6	27%	0.272	S	S	*	.	H	α-helix	trans	-83.2	-44.9	179.8	177.7	177.9	-100.1	-178	-5.7	113.2	E119 E135 A136 S137	E119-R139 WeakPolarHBondContact OE1-CD 3.32Å; E119-R139 IonicContact OE1-CZ 3.73Å; E119-R139 IonicContact OE1-NE 3.88Å; E119-R139 IonicContact OE1-NH1 2.77Å; E119-R139 PolarHBondContact OE1-NH1 3.48Å; E119-R139 IonicContact OE2-NH1 3.74Å; E135-R139 WeakPolarHBondContact O-CB 3.42Å; E135-R139 PolarHBondContact O-N 3.18Å; A136-R139 PolarHBondContact O-N 3Å; S137-R139 VanDerWaalsContact C-N 3.29Å; S137-R139 PolarHBondContact O-N 2.8Å
140	H	97.3	Very high	97.4	Very high	16 Å²	16	46.6 Å²	46.6	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-109.3	-1.8	-167.3	-63.1	-68.2	0	0	0	114.4	E119 W122 A136 A183 D185 T187	E119-H140 IonicContact OE1-CD2 3.39Å; E119-H140 IonicContact OE1-CE1 3.82Å; E119-H140 IonicContact OE1-NE2 3.63Å; E119-H140 PolarHBondContact OE1-NE2 3.46Å; E119-H140 IonicContact OE2-NE2 2.77Å; W122-H140 AromaticContact CE2-CD2 3.44Å; W122-H140 VanDerWaalsContact CE2-CD2 3.44Å; W122-H140 AromaticContact CE2-NE2 3.67Å; W122-H140 HydrophobicContact CZ2-CB 4.47Å; W122-H140 AromaticContact CZ2-CD2 3.31Å; W122-H140 WeakPolarHBondContact CZ2-CD2 3.07Å; W122-H140 AromaticContact CZ2-CE1 3.88Å; W122-H140 AromaticContact CZ2-CG 3.75Å; W122-H140 AromaticContact CZ2-NE2 3.43Å; W122-H140 WeakPolarHBondContact CZ2-NE2 3.06Å; W122-H140 AromaticContact NE1-CD2 3.49Å; W122-H140 PolarHBondContact NE1-CD2 3.27Å; W122-H140 AromaticContact NE1-NE2 3.48Å; W122-H140 PolarHBondContact NE1-NE2 2.78Å; A136-H140 PolarHBondContact O-N 3.38Å; H140-A183 HydrophobicContact CB-CB 3.55Å; H140-D185 IonicContact CE1-OD2 3.13Å; H140-D185 IonicContact CG-OD2 3.52Å; H140-D185 IonicContact ND1-OD1 3.88Å; H140-D185 IonicContact ND1-OD2 3.44Å; H140-D185 PolarHBondContact ND1-OD2 3.35Å; H140-D185 PolarHBondContact O-N 3.05Å; H140-T187 PolarHBondContact ND1-OG1 3.03Å
141	G	96.5	Very high	97.3	Very high	28 Å²	28	49.7 Å²	49.7	29%	0.289	27%	0.269	S	S	.	.	S	Bend	trans	82.2	-151.5	-177	0	0	0	0	0	112.2	S137 I143	S137-G141 WeakPolarHBondContact O-CA 3.44Å; S137-G141 PolarHBondContact O-N 3.02Å; G141-I143 PolarHBondContact O-N 3.05Å
142	K	96.6	Very high	97.3	Very high	150 Å²	150	48.7 Å²	48.7	65%	0.652	26%	0.264	S	S	*	.	S	Bend	trans	-65.2	128	179.9	-175.5	-178.5	176.7	-174.2	0	110.6	A183 E184	K142-A183 CarbonylContact O-C 3.58Å; K142-A183 WeakPolarHBondContact O-CA 3.29Å; K142-E184 HydrophobicContact CB-CB 4.37Å; K142-E184 PolarHBondContact N-OE2 3.34Å; K142-E184 VanDerWaalsContact N-OE2 3.15Å; K142-E184 PolarHBondContact O-N 3.05Å
143	I	98	Very high	97.3	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.077	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.1	178.3	-62.3	170.4	0	0	0	109.5	W122 I132 A136 G141 C145 C181 A183	W122-I143 HydrophobicContact CD2-CD1 4.29Å; W122-I143 HydrophobicContact CE3-CD1 3.92Å; W122-I143 HydrophobicContact CE3-CG1 4.39Å; W122-I143 HydrophobicContact CE3-CG2 4.16Å; W122-I143 HydrophobicContact CZ3-CD1 4.44Å; W122-I143 HydrophobicContact CZ3-CG2 4.45Å; I132-I143 HydrophobicContact CD1-CB 4.2Å; I132-I143 HydrophobicContact CD1-CG2 4.09Å; I132-I143 HydrophobicContact CG2-CB 4.13Å; I132-I143 HydrophobicContact CG2-CD1 3.77Å; I132-I143 HydrophobicContact CG2-CG2 4.29Å; A136-I143 HydrophobicContact CB-CD1 3.75Å; G141-I143 PolarHBondContact O-N 3.05Å; I143-C145 VanDerWaalsContact CG2-SG 3.58Å; I143-C181 HydrophobicContact CG2-CB 3.72Å; I143-A183 HydrophobicContact CG1-CB 4.01Å
144	T	97.3	Very high	97.2	Very high	60 Å²	60	50 Å²	50	37%	0.368	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.6	168.4	56.8	0	0	0	0	109.5	C181 N182	T144-C181 CarbonylContact O-C 3.54Å; T144-C181 WeakPolarHBondContact O-CA 3.11Å; T144-C181 WeakPolarHBondContact O-CB 3.49Å; T144-N182 PolarHBondContact N-O 2.93Å; T144-N182 PolarHBondContact O-N 3.39Å
145	C	98.4	Very high	97.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.8	-174	-63.3	0	0	0	0	111.6	F130 I143 D165 V166 V179 A180 C181	F130-C145 HydrophobicContact CE1-CB 4.4Å; F130-C145 HydrophobicContact CE2-CB 4.49Å; F130-C145 HydrophobicContact CZ-CB 3.68Å; I143-C145 VanDerWaalsContact CG2-SG 3.58Å; C145-D165 CarbonylContact O-C 3.55Å; C145-D165 PolarHBondContact O-N 2.63Å; C145-V166 PolarHBondContact O-N 2.87Å; C145-V179 HydrophobicContact CB-CG1 4.3Å; C145-A180 CarbonylContact C-O 3.5Å; C145-A180 WeakPolarHBondContact CA-O 3.16Å; C145-C181 HydrophobicContact CB-CB 4.05Å; C145-C181 WeakPolarHBondContact CB-SG 3.46Å; C145-C181 WeakPolarHBondContact SG-CB 3.32Å; C145-C181 CovalentContact SG-SG 2.04Å; C145-C181 PolarHBondContact SG-SG 3.34Å
146	D	98.2	Very high	97	Very high	44 Å²	44	43 Å²	43	24%	0.235	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.7	165.5	-62.4	-27.6	0	0	0	109	M162 L163 Y164 D165 V179 A180	D146-M162 HydrophobicContact CB-CE 3.76Å; D146-L163 CarbonylContact C-O 3.55Å; D146-L163 WeakPolarHBondContact CA-O 3.39Å; D146-Y164 VanDerWaalsContact OD1-CA 3.24Å; D146-Y164 WeakPolarHBondContact OD1-CA 3.06Å; D146-D165 PolarHBondContact OD1-N 2.85Å; D146-V179 WeakPolarHBondContact O-CA 3.26Å; D146-A180 PolarHBondContact N-O 3.46Å; D146-A180 PolarHBondContact O-N 3Å
147	C	98	Very high	96.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.1	178.6	-63.6	0	0	0	0	110	F130 P149 L163 V166 K178	F130-C147 VanDerWaalsContact CE2-SG 3.53Å; C147-P149 VanDerWaalsContact O-CD 3.29Å; C147-P149 WeakPolarHBondContact O-CD 3.09Å; C147-L163 HydrophobicContact CB-CB 4.34Å; C147-L163 PolarHBondContact N-O 3.28Å; C147-L163 PolarHBondContact O-N 3.42Å; C147-V166 HydrophobicContact CB-CG2 3.96Å; C147-K178 CarbonylContact C-O 3.53Å
148	Q	98	Very high	96.8	Very high	50 Å²	50	49.9 Å²	49.9	23%	0.234	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	89.5	172.5	-174.3	-176.7	22.5	0	0	109.5	I150 S160 W161 M162 M177 K178	Q148-I150 WeakPolarHBondContact O-CD1 3.48Å; Q148-S160 PolarHBondContact NE2-OG 2.85Å; Q148-W161 WeakPolarHBondContact CA-O 3.43Å; Q148-W161 WeakPolarHBondContact CG-O 3.32Å; Q148-M162 HydrophobicContact CB-SD 3.71Å; Q148-M162 HydrophobicContact CG-SD 3.92Å; Q148-M177 VanDerWaalsContact O-CA 3.31Å; Q148-M177 WeakPolarHBondContact O-CA 3.46Å; Q148-K178 HydrophobicContact CB-CB 4.18Å; Q148-K178 PolarHBondContact N-O 3.24Å; Q148-K178 PolarHBondContact O-N 3.44Å
149	P	98	Very high	96.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	149.2	170.9	-27.7	37	0	0	0	112.8	C147 S160 W161 L163 P173 T174	C147-P149 VanDerWaalsContact O-CD 3.29Å; C147-P149 WeakPolarHBondContact O-CD 3.09Å; P149-S160 WeakPolarHBondContact O-CA 3.18Å; P149-S160 WeakPolarHBondContact O-CB 3.45Å; P149-W161 HydrophobicContact CB-CD2 4.28Å; P149-W161 HydrophobicContact CB-CH2 3.9Å; P149-W161 HydrophobicContact CB-CZ2 3.57Å; P149-W161 HydrophobicContact CB-CZ3 4.37Å; P149-W161 VanDerWaalsContact CD-O 3.3Å; P149-W161 WeakPolarHBondContact CD-O 3.47Å; P149-W161 HydrophobicContact CG-CZ2 4.06Å; P149-L163 HydrophobicContact CG-CD1 3.57Å; P149-L163 HydrophobicContact CG-CG 3.93Å; P149-P173 HydrophobicContact CB-CG 3.79Å; P149-P173 HydrophobicContact CG-CG 3.55Å; P149-T174 HydrophobicContact CB-CG2 3.97Å; P149-T174 WeakPolarHBondContact CB-OG1 3.24Å
150	I	96.7	Very high	96.9	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.8	177.3	-51.6	100.5	0	0	0	111	Q148 L158 K159 T174 F176 V337 M341	Q148-I150 WeakPolarHBondContact O-CD1 3.48Å; I150-L158 HydrophobicContact CG2-CB 3.9Å; I150-L158 HydrophobicContact CG2-CD1 4.03Å; I150-L158 HydrophobicContact CG2-CD2 4.4Å; I150-L158 HydrophobicContact CG2-CG 4.33Å; I150-K159 WeakPolarHBondContact CA-O 3.36Å; I150-T174 PolarHBondContact N-OG1 2.89Å; I150-T174 WeakPolarHBondContact O-CB 3.36Å; I150-F176 HydrophobicContact CD1-CB 4.24Å; I150-F176 PolarHBondContact N-O 2.78Å; I150-F176 VanDerWaalsContact N-O 3.16Å; I150-V337 HydrophobicContact CB-CG1 4.4Å; I150-V337 HydrophobicContact CG2-CG1 3.85Å; I150-M341 HydrophobicContact CD1-CE 3.31Å; I150-M341 HydrophobicContact CD1-SD 3.14Å; I150-M341 WeakPolarHBondContact CD1-SD 3.02Å; I150-M341 HydrophobicContact CG1-CE 3.29Å; I150-M341 HydrophobicContact CG1-SD 3.65Å
151	I	96	Very high	96.9	Very high	64 Å²	64	50.1 Å²	50.1	33%	0.328	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150	172.1	63.1	177.2	0	0	0	111.8	K159 W161 T174	I151-K159 HydrophobicContact CD1-CB 4.25Å; I151-K159 HydrophobicContact CD1-CD 4.28Å; I151-K159 HydrophobicContact CD1-CG 4.45Å; I151-K159 HydrophobicContact CG1-CB 3.82Å; I151-K159 HydrophobicContact CG1-CG 4.41Å; I151-K159 PolarHBondContact N-O 2.96Å; I151-K159 PolarHBondContact O-N 3.36Å; I151-W161 HydrophobicContact CB-CZ3 4.49Å; I151-W161 HydrophobicContact CD1-CZ3 4.01Å; I151-W161 HydrophobicContact CG1-CZ3 4.04Å; I151-W161 HydrophobicContact CG2-CH2 3.74Å; I151-W161 HydrophobicContact CG2-CZ3 3.77Å; I151-T174 HydrophobicContact CG2-CG2 3.42Å; I151-T174 VanDerWaalsContact CG2-CG2 3.42Å
152	F	97.3	Very high	97	Very high	29 Å²	29	52.2 Å²	52.2	13%	0.127	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.9	172.9	-176.5	-94.3	0	0	0	111	D154 F326 R328 Q329 Y334 V337	F152-D154 VanDerWaalsContact CE1-CA 3.47Å; F152-D154 WeakPolarHBondContact CE2-O 3.32Å; F152-F326 HydrophobicContact CZ-CB 4.31Å; F152-R328 VanDerWaalsContact CE1-C 3.48Å; F152-Q329 HydrophobicContact CD1-CB 3.9Å; F152-Q329 HydrophobicContact CE1-CB 4.19Å; F152-Q329 VanDerWaalsContact CE1-N 3.28Å; F152-Q329 HydrophobicContact CG-CB 4.42Å; F152-Y334 AromaticContact CD2-CD1 3.89Å; F152-Y334 HydrophobicContact CD2-CD1 3.89Å; F152-Y334 HydrophobicContact CD2-CE1 4.05Å; F152-Y334 AromaticContact CE2-CD1 3.84Å; F152-Y334 HydrophobicContact CE2-CD1 3.84Å; F152-Y334 AromaticContact CE2-CE1 3.56Å; F152-Y334 HydrophobicContact CE2-CE1 3.56Å; F152-Y334 HydrophobicContact CZ-CE1 4.24Å; F152-V337 HydrophobicContact CB-CG2 3.76Å; F152-V337 HydrophobicContact CD2-CG2 3.8Å; F152-V337 HydrophobicContact CG-CG2 4.26Å
153	V	97.8	Very high	97	Very high	59 Å²	59	47.6 Å²	47.6	36%	0.358	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-55.3	165.6	179	0	0	0	0	109.5	R157 K159	V153-R157 HydrophobicContact CB-CB 4.19Å; V153-R157 WeakPolarHBondContact CB-O 3.33Å; V153-R157 HydrophobicContact CG1-CB 4.46Å; V153-R157 PolarHBondContact N-O 3.1Å; V153-K159 HydrophobicContact CG2-CB 3.82Å
154	D	96.5	Very high	97	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.032	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	178.3	165.2	54.4	45	0	0	0	108.8	F152 F156 R157 K327	F152-D154 VanDerWaalsContact CE1-CA 3.47Å; F152-D154 WeakPolarHBondContact CE2-O 3.32Å; D154-F156 PolarHBondContact O-N 3.46Å; D154-F156 PolarHBondContact OD1-N 2.91Å; D154-F156 VanDerWaalsContact OD1-N 3.15Å; D154-R157 PolarHBondContact N-O 3.09Å; D154-R157 PolarHBondContact O-N 3.21Å; D154-R157 VanDerWaalsContact O-N 3.16Å; D154-R157 WeakPolarHBondContact OD1-CB 3.43Å; D154-R157 PolarHBondContact OD1-N 2.9Å; D154-R157 IonicContact OD1-NE 3.23Å; D154-R157 PolarHBondContact OD1-NE 2.78Å; D154-R157 IonicContact OD2-CZ 3.21Å; D154-R157 IonicContact OD2-NE 2.68Å; D154-R157 PolarHBondContact OD2-NE 2.86Å; D154-R157 IonicContact OD2-NH2 3.31Å; D154-R157 PolarHBondContact OD2-NH2 3.07Å; D154-K327 HydrophobicContact CB-CD 4.08Å; D154-K327 IonicContact OD2-NZ 3.39Å; D154-K327 PolarHBondContact OD2-NZ 3.31Å
155	D	95.3	Very high	96.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12	-176.4	-98.8	-24.6	0	0	0	115	T320 G325 F326 Y334 R336	D155-T320 HydrophobicContact CB-CG2 3.69Å; D155-T320 VanDerWaalsContact CG-CG2 3.43Å; D155-T320 WeakPolarHBondContact OD2-CG2 3.36Å; D155-G325 VanDerWaalsContact OD2-CA 3.3Å; D155-G325 WeakPolarHBondContact OD2-CA 3.46Å; D155-F326 PolarHBondContact N-O 2.77Å; D155-F326 WeakPolarHBondContact OD2-CB 3.28Å; D155-F326 WeakPolarHBondContact OD2-CD2 3.34Å; D155-F326 PolarHBondContact OD2-N 3.18Å; D155-Y334 VanDerWaalsContact OD1-CE1 3.29Å; D155-Y334 WeakPolarHBondContact OD1-CE1 3.29Å; D155-Y334 PolarHBondContact OD1-OH 2.89Å; D155-Y334 PolarHBondContact OD2-OH 2.88Å; D155-R336 VanDerWaalsContact O-CZ 3.24Å; D155-R336 PolarHBondContact O-NH1 2.89Å; D155-R336 PolarHBondContact O-NH2 3.4Å; D155-R336 WeakPolarHBondContact OD1-CD 3.39Å; D155-R336 IonicContact OD1-CZ 2.72Å; D155-R336 IonicContact OD1-NE 2.99Å; D155-R336 IonicContact OD1-NH1 3.73Å; D155-R336 PolarHBondContact OD1-NH1 3.35Å
156	F	92.9	Very high	96.8	Very high	73 Å²	73	57.8 Å²	57.8	32%	0.32	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-13.4	179.5	-57.7	-69.3	0	0	0	113.7	D154 K324 R340	D154-F156 PolarHBondContact O-N 3.46Å; D154-F156 PolarHBondContact OD1-N 2.91Å; D154-F156 VanDerWaalsContact OD1-N 3.15Å; F156-K324 VanDerWaalsContact CE2-O 3.31Å; F156-K324 WeakPolarHBondContact CE2-O 3.17Å; F156-R340 PolarHBondContact O-NH2 3.14Å
157	R	95.2	Very high	96.7	Very high	136 Å²	136	60.1 Å²	60.1	51%	0.513	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.1	-175.1	-60.1	-178.3	-62.9	157.8	8.4	111.6	V153 D154	V153-R157 HydrophobicContact CB-CB 4.19Å; V153-R157 WeakPolarHBondContact CB-O 3.33Å; V153-R157 HydrophobicContact CG1-CB 4.46Å; V153-R157 PolarHBondContact N-O 3.1Å; D154-R157 PolarHBondContact N-O 3.09Å; D154-R157 PolarHBondContact O-N 3.21Å; D154-R157 VanDerWaalsContact O-N 3.16Å; D154-R157 WeakPolarHBondContact OD1-CB 3.43Å; D154-R157 PolarHBondContact OD1-N 2.9Å; D154-R157 IonicContact OD1-NE 3.23Å; D154-R157 PolarHBondContact OD1-NE 2.78Å; D154-R157 IonicContact OD2-CZ 3.21Å; D154-R157 IonicContact OD2-NE 2.68Å; D154-R157 PolarHBondContact OD2-NE 2.86Å; D154-R157 IonicContact OD2-NH2 3.31Å; D154-R157 PolarHBondContact OD2-NH2 3.07Å
158	L	96.1	Very high	96.6	Very high	59 Å²	59	62.5 Å²	62.5	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.4	174.9	-57.5	179.9	0	0	0	109.1	I150 V337 R340 M341	I150-L158 HydrophobicContact CG2-CB 3.9Å; I150-L158 HydrophobicContact CG2-CD1 4.03Å; I150-L158 HydrophobicContact CG2-CD2 4.4Å; I150-L158 HydrophobicContact CG2-CG 4.33Å; L158-V337 HydrophobicContact CD2-CG1 4.01Å; L158-V337 HydrophobicContact CD2-CG2 4.49Å; L158-R340 HydrophobicContact CD1-CB 4.06Å; L158-R340 HydrophobicContact CD1-CG 3.85Å; L158-R340 HydrophobicContact CD2-CG 4.5Å; L158-R340 HydrophobicContact CG-CG 4.15Å; L158-M341 HydrophobicContact CD1-CB 4.19Å
159	K	97.3	Very high	96.5	Very high	129 Å²	129	65.3 Å²	65.3	56%	0.561	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.9	169	-180	175.1	177	-176	0	109.1	I150 I151 V153	I150-K159 WeakPolarHBondContact CA-O 3.36Å; I151-K159 HydrophobicContact CD1-CB 4.25Å; I151-K159 HydrophobicContact CD1-CD 4.28Å; I151-K159 HydrophobicContact CD1-CG 4.45Å; I151-K159 HydrophobicContact CG1-CB 3.82Å; I151-K159 HydrophobicContact CG1-CG 4.41Å; I151-K159 PolarHBondContact N-O 2.96Å; I151-K159 PolarHBondContact O-N 3.36Å; V153-K159 HydrophobicContact CG2-CB 3.82Å
160	S	97.5	Very high	96.5	Very high	50 Å²	50	66.9 Å²	66.9	35%	0.35	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.3	177.7	57.4	0	0	0	0	110.7	Q148 P149	Q148-S160 PolarHBondContact NE2-OG 2.85Å; P149-S160 WeakPolarHBondContact O-CA 3.18Å; P149-S160 WeakPolarHBondContact O-CB 3.45Å
161	W	97.8	Very high	96.5	Very high	92 Å²	92	70.9 Å²	70.9	35%	0.348	36%	0.361	S	S	.	.			trans	-148.7	166.6	174.6	61.6	96.7	0	0	0	108.7	Q148 P149 I151 P173 T174	Q148-W161 WeakPolarHBondContact CA-O 3.43Å; Q148-W161 WeakPolarHBondContact CG-O 3.32Å; P149-W161 HydrophobicContact CB-CD2 4.28Å; P149-W161 HydrophobicContact CB-CH2 3.9Å; P149-W161 HydrophobicContact CB-CZ2 3.57Å; P149-W161 HydrophobicContact CB-CZ3 4.37Å; P149-W161 VanDerWaalsContact CD-O 3.3Å; P149-W161 WeakPolarHBondContact CD-O 3.47Å; P149-W161 HydrophobicContact CG-CZ2 4.06Å; I151-W161 HydrophobicContact CB-CZ3 4.49Å; I151-W161 HydrophobicContact CD1-CZ3 4.01Å; I151-W161 HydrophobicContact CG1-CZ3 4.04Å; I151-W161 HydrophobicContact CG2-CH2 3.74Å; I151-W161 HydrophobicContact CG2-CZ3 3.77Å; W161-P173 HydrophobicContact CZ2-CB 4.07Å; W161-P173 HydrophobicContact CZ2-CG 3.64Å; W161-T174 HydrophobicContact CH2-CG2 3.72Å; W161-T174 HydrophobicContact CZ2-CG2 4.29Å
162	M	97.8	Very high	96.5	Very high	72 Å²	72	68.2 Å²	68.2	36%	0.355	35%	0.348	S	S	.	.			trans	-98.1	138.2	178.2	-68.8	-58.2	-62.5	0	0	111.1	D146 Q148 Y164	D146-M162 HydrophobicContact CB-CE 3.76Å; Q148-M162 HydrophobicContact CB-SD 3.71Å; Q148-M162 HydrophobicContact CG-SD 3.92Å; M162-Y164 HydrophobicContact CB-CD2 4.39Å; M162-Y164 HydrophobicContact CB-CE1 4.02Å; M162-Y164 HydrophobicContact CB-CE2 3.69Å; M162-Y164 VanDerWaalsContact CB-CZ 3.49Å; M162-Y164 HydrophobicContact CE-CE1 4.23Å; M162-Y164 HydrophobicContact CG-CE1 4.42Å
163	L	97.5	Very high	96.3	Very high	53 Å²	53	70 Å²	70	28%	0.277	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.9	162.6	-58.7	178.5	0	0	0	106.7	D146 C147 P149 V166 P173	D146-L163 CarbonylContact C-O 3.55Å; D146-L163 WeakPolarHBondContact CA-O 3.39Å; C147-L163 HydrophobicContact CB-CB 4.34Å; C147-L163 PolarHBondContact N-O 3.28Å; C147-L163 PolarHBondContact O-N 3.42Å; P149-L163 HydrophobicContact CG-CD1 3.57Å; P149-L163 HydrophobicContact CG-CG 3.93Å; L163-V166 HydrophobicContact CB-CG2 3.72Å; L163-P173 HydrophobicContact CD1-CG 4.21Å
164	Y	97.5	Very high	96.3	Very high	158 Å²	158	67.8 Å²	67.8	62%	0.62	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	151.6	-177.5	-59.7	-78.8	0	0	0	111.1	D146 M162 V166	D146-Y164 VanDerWaalsContact OD1-CA 3.24Å; D146-Y164 WeakPolarHBondContact OD1-CA 3.06Å; M162-Y164 HydrophobicContact CB-CD2 4.39Å; M162-Y164 HydrophobicContact CB-CE1 4.02Å; M162-Y164 HydrophobicContact CB-CE2 3.69Å; M162-Y164 VanDerWaalsContact CB-CZ 3.49Å; M162-Y164 HydrophobicContact CE-CE1 4.23Å; M162-Y164 HydrophobicContact CG-CE1 4.42Å; Y164-V166 VanDerWaalsContact C-N 3.27Å; Y164-V166 PolarHBondContact O-N 3.02Å
165	D	95.6	Very high	96.4	Very high	118 Å²	118	68.3 Å²	68.3	63%	0.631	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.1	42.2	174	-62	-50.9	0	0	0	113.3	C145 D146 T167	C145-D165 CarbonylContact O-C 3.55Å; C145-D165 PolarHBondContact O-N 2.63Å; D146-D165 PolarHBondContact OD1-N 2.85Å; D165-T167 PolarHBondContact O-N 3.48Å
166	V	96.8	Very high	96.5	Very high	15 Å²	15	68.7 Å²	68.7	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	118.1	179	-174.2	0	0	0	0	109.4	F130 C145 C147 L163 Y164	F130-V166 HydrophobicContact CB-CG1 4.37Å; F130-V166 HydrophobicContact CD1-CG1 3.71Å; F130-V166 HydrophobicContact CD2-CG1 4.47Å; F130-V166 HydrophobicContact CE1-CG1 4.04Å; F130-V166 HydrophobicContact CG-CG1 3.96Å; C145-V166 PolarHBondContact O-N 2.87Å; C147-V166 HydrophobicContact CB-CG2 3.96Å; L163-V166 HydrophobicContact CB-CG2 3.72Å; Y164-V166 VanDerWaalsContact C-N 3.27Å; Y164-V166 PolarHBondContact O-N 3.02Å
167	T	94.6	Very high	96.7	Very high	93 Å²	93	65.3 Å²	65.3	57%	0.571	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-92.3	156.7	179.4	58.5	0	0	0	0	111.3	D165 S170	D165-T167 PolarHBondContact O-N 3.48Å; T167-S170 PolarHBondContact N-OG 3.41Å; T167-S170 WeakPolarHBondContact O-CB 3.39Å; T167-S170 PolarHBondContact O-N 2.99Å; T167-S170 VanDerWaalsContact O-N 3.14Å; T167-S170 PolarHBondContact O-OG 3.37Å; T167-S170 PolarHBondContact OG1-OG 2.96Å
168	S	96.3	Very high	96.8	Very high	50 Å²	50	61 Å²	61	35%	0.35	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	145	174.1	-165.6	0	0	0	0	111.4	F131 I132 S170	F131-S168 WeakPolarHBondContact CA-OG 3.33Å; I132-S168 PolarHBondContact N-OG 3.43Å; S168-S170 VanDerWaalsContact C-N 3.26Å; S168-S170 PolarHBondContact O-N 2.86Å
169	N	96.1	Very high	96.9	Very high	110 Å²	110	58.2 Å²	58.2	59%	0.588	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	7	-170.9	-53	-18.7	0	0	0	115.4	F130 F131	F130-N169 WeakPolarHBondContact O-CA 3.22Å; F130-N169 PolarHBondContact O-N 3.05Å; F131-N169 WeakPolarHBondContact CD1-OD1 3.24Å; F131-N169 WeakPolarHBondContact CE1-OD1 3.36Å
170	S	97.3	Very high	97	Very high	33 Å²	33	53.8 Å²	53.8	23%	0.231	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	145	172.2	-63.5	0	0	0	0	111	Y129 F130 T167 S168	Y129-S170 WeakPolarHBondContact CA-O 3.4Å; F130-S170 PolarHBondContact N-O 2.99Å; T167-S170 PolarHBondContact N-OG 3.41Å; T167-S170 WeakPolarHBondContact O-CB 3.39Å; T167-S170 PolarHBondContact O-N 2.99Å; T167-S170 VanDerWaalsContact O-N 3.14Å; T167-S170 PolarHBondContact O-OG 3.37Å; T167-S170 PolarHBondContact OG1-OG 2.96Å; S168-S170 VanDerWaalsContact C-N 3.26Å; S168-S170 PolarHBondContact O-N 2.86Å
171	S	96.7	Very high	97	Very high	89 Å²	89	51.5 Å²	51.5	62%	0.622	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.5	170.4	58.1	0	0	0	0	110.8	G128	G128-S171 WeakPolarHBondContact O-CA 3.43Å
172	V	95.9	Very high	97	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.048	28%	0.282	C	S	.	.			trans	-113	139.1	176	-60.5	0	0	0	0	110.2	G128 F130 M177 V197	G128-V172 PolarHBondContact O-N 3.02Å; F130-V172 HydrophobicContact CB-CG1 3.57Å; V172-M177 HydrophobicContact CB-CE 3.55Å; V172-M177 HydrophobicContact CB-SD 4.31Å; V172-M177 HydrophobicContact CG1-CE 3.72Å; V172-M177 HydrophobicContact CG1-SD 3.86Å; V172-M177 HydrophobicContact CG2-CE 3.61Å; V172-V197 HydrophobicContact CG2-CG2 4.21Å
173	P	95.1	Very high	97	Very high	68 Å²	68	47.7 Å²	47.7	44%	0.442	27%	0.27	S	S	.	.	S	Bend	trans	-84.5	-13.4	-170.1	31.8	-35.6	0	0	0	114.2	P149 W161 L163	P149-P173 HydrophobicContact CB-CG 3.79Å; P149-P173 HydrophobicContact CG-CG 3.55Å; W161-P173 HydrophobicContact CZ2-CB 4.07Å; W161-P173 HydrophobicContact CZ2-CG 3.64Å; L163-P173 HydrophobicContact CD1-CG 4.21Å
174	T	97.3	Very high	96.9	Very high	12 Å²	12	52.3 Å²	52.3	7%	0.074	29%	0.29	C	S	.	.	S	Bend	trans	-141.3	157.7	-171.5	60.8	0	0	0	0	111.5	P149 I150 I151 W161 F176 V197	P149-T174 HydrophobicContact CB-CG2 3.97Å; P149-T174 WeakPolarHBondContact CB-OG1 3.24Å; I150-T174 PolarHBondContact N-OG1 2.89Å; I150-T174 WeakPolarHBondContact O-CB 3.36Å; I151-T174 HydrophobicContact CG2-CG2 3.42Å; I151-T174 VanDerWaalsContact CG2-CG2 3.42Å; W161-T174 HydrophobicContact CH2-CG2 3.72Å; W161-T174 HydrophobicContact CZ2-CG2 4.29Å; T174-F176 PolarHBondContact O-N 2.04Å; T174-F176 PolarHBondContact OG1-O 2.78Å; T174-V197 VanDerWaalsContact O-CG2 3.28Å; T174-V197 WeakPolarHBondContact O-CG2 3.39Å
175	D	98.1	Very high	96.9	Very high	16 Å²	16	48.8 Å²	48.8	9%	0.086	28%	0.282	C	S	.	.	S	Bend	trans	-62.6	-28	177.1	-77	8.5	0	0	0	113.6	A194 N195 V197 H333 Y364	D175-A194 CarbonylContact O-C 3.59Å; D175-A194 WeakPolarHBondContact O-CA 3.49Å; D175-N195 CarbonylContact C-O 3.53Å; D175-N195 WeakPolarHBondContact CA-O 3.34Å; D175-N195 WeakPolarHBondContact CB-O 3.34Å; D175-N195 VanDerWaalsContact CG-O 3.24Å; D175-N195 PolarHBondContact O-N 3.41Å; D175-N195 VanDerWaalsContact O-O 3.05Å; D175-V197 WeakPolarHBondContact OD1-CB 3.38Å; D175-V197 PolarHBondContact OD1-N 3.24Å; D175-H333 IonicContact OD1-CE1 2.67Å; D175-H333 IonicContact OD1-ND1 2.79Å; D175-H333 IonicContact OD2-CE1 2.99Å; D175-H333 IonicContact OD2-CG 3.07Å; D175-H333 IonicContact OD2-ND1 3.03Å; D175-H333 PolarHBondContact OD2-ND1 2.92Å; D175-Y364 HydrophobicContact CB-CE2 4.08Å; D175-Y364 PolarHBondContact OD2-OH 3.48Å
176	F	98.1	Very high	96.9	Very high	8 Å²	8	46 Å²	46	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.6	-172.2	-47	-59.3	0	0	0	110.6	I150 T174 H193 A194 Y334 M335 V337 F338 Y364	I150-F176 HydrophobicContact CD1-CB 4.24Å; I150-F176 PolarHBondContact N-O 2.78Å; I150-F176 VanDerWaalsContact N-O 3.16Å; T174-F176 PolarHBondContact O-N 2.04Å; T174-F176 PolarHBondContact OG1-O 2.78Å; F176-H193 WeakPolarHBondContact CA-O 3.26Å; F176-A194 HydrophobicContact CD1-CB 3.78Å; F176-A194 HydrophobicContact CE1-CB 3.95Å; F176-Y334 WeakPolarHBondContact CE2-O 3.46Å; F176-M335 HydrophobicContact CE1-CG 4.13Å; F176-M335 HydrophobicContact CZ-CB 4.36Å; F176-M335 HydrophobicContact CZ-CG 4.21Å; F176-V337 HydrophobicContact CD2-CB 3.65Å; F176-V337 HydrophobicContact CD2-CG1 3.56Å; F176-V337 HydrophobicContact CE2-CB 3.7Å; F176-V337 HydrophobicContact CE2-CG1 4.13Å; F176-V337 HydrophobicContact CE2-CG2 4.43Å; F176-V337 HydrophobicContact CG-CG1 4.47Å; F176-F338 HydrophobicContact CB-CD2 4.19Å; F176-F338 HydrophobicContact CD1-CB 3.61Å; F176-F338 AromaticContact CD1-CD2 3.71Å; F176-F338 HydrophobicContact CD1-CD2 3.71Å; F176-F338 AromaticContact CD1-CG 3.99Å; F176-F338 HydrophobicContact CD1-CG 3.99Å; F176-F338 HydrophobicContact CE1-CB 3.82Å; F176-F338 HydrophobicContact CE1-CG 4.43Å; F176-F338 HydrophobicContact CG-CB 3.99Å; F176-F338 HydrophobicContact CG-CD2 4.2Å; F176-F338 HydrophobicContact CZ-CB 4.38Å; F176-Y364 HydrophobicContact CE1-CD2 4.24Å; F176-Y364 AromaticContact CE1-CE2 3.75Å; F176-Y364 HydrophobicContact CE1-CE2 3.75Å; F176-Y364 AromaticContact CE1-CZ 3.94Å; F176-Y364 HydrophobicContact CZ-CE1 4.31Å; F176-Y364 AromaticContact CZ-CE2 3.9Å; F176-Y364 HydrophobicContact CZ-CE2 3.9Å; F176-Y364 AromaticContact CZ-CZ 3.64Å; F176-Y364 WeakPolarHBondContact CZ-OH 3.32Å
177	M	97.1	Very high	97	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	147.8	174.5	65.6	-159.2	77.1	0	0	111.9	V125 Q148 V172 V179 Y192 H193	V125-M177 HydrophobicContact CG1-CE 3.95Å; V125-M177 HydrophobicContact CG1-SD 3.8Å; Q148-M177 VanDerWaalsContact O-CA 3.31Å; Q148-M177 WeakPolarHBondContact O-CA 3.46Å; V172-M177 HydrophobicContact CB-CE 3.55Å; V172-M177 HydrophobicContact CB-SD 4.31Å; V172-M177 HydrophobicContact CG1-CE 3.72Å; V172-M177 HydrophobicContact CG1-SD 3.86Å; V172-M177 HydrophobicContact CG2-CE 3.61Å; M177-V179 HydrophobicContact CG-CG2 3.82Å; M177-V179 HydrophobicContact SD-CG2 4.28Å; M177-Y192 WeakPolarHBondContact O-CA 3.38Å; M177-H193 HydrophobicContact CG-CB 4.25Å; M177-H193 PolarHBondContact N-O 2.89Å; M177-H193 VanDerWaalsContact N-O 3.11Å; M177-H193 PolarHBondContact O-N 3.01Å
178	K	97.6	Very high	97.1	Very high	47 Å²	47	50.5 Å²	50.5	20%	0.204	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.8	159.3	-178.2	-173	-179.5	-173.3	0	107.9	C147 Q148 E190 Y192 M341	C147-K178 CarbonylContact C-O 3.53Å; Q148-K178 HydrophobicContact CB-CB 4.18Å; Q148-K178 PolarHBondContact N-O 3.24Å; Q148-K178 PolarHBondContact O-N 3.44Å; K178-E190 VanDerWaalsContact CE-CG 3.47Å; K178-E190 WeakPolarHBondContact CE-OE1 3.5Å; K178-E190 WeakPolarHBondContact CE-OE2 3.22Å; K178-E190 IonicContact NZ-OE1 3.63Å; K178-E190 PolarHBondContact NZ-OE1 3.09Å; K178-E190 IonicContact NZ-OE2 3.83Å; K178-E190 PolarHBondContact NZ-OE2 3.02Å; K178-Y192 HydrophobicContact CB-CD1 3.77Å; K178-Y192 HydrophobicContact CB-CE1 3.75Å; K178-Y192 HydrophobicContact CD-CE1 3.9Å; K178-Y192 HydrophobicContact CG-CD1 3.98Å; K178-Y192 HydrophobicContact CG-CE1 3.67Å; K178-M341 HydrophobicContact CB-CE 3.97Å; K178-M341 HydrophobicContact CB-SD 4.31Å
179	V	98.1	Very high	97.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.1	178.8	-179.7	0	0	0	0	108.8	V123 F130 C145 D146 M177 C181 Y189 E190 N191	V123-V179 HydrophobicContact CG1-CG2 4.48Å; V123-V179 HydrophobicContact CG2-CG1 4.11Å; F130-V179 HydrophobicContact CE2-CG1 3.98Å; F130-V179 HydrophobicContact CE2-CG2 4.19Å; F130-V179 HydrophobicContact CZ-CG1 4.48Å; C145-V179 HydrophobicContact CB-CG1 4.3Å; D146-V179 WeakPolarHBondContact O-CA 3.26Å; M177-V179 HydrophobicContact CG-CG2 3.82Å; M177-V179 HydrophobicContact SD-CG2 4.28Å; V179-C181 VanDerWaalsContact CG1-SG 3.56Å; V179-Y189 HydrophobicContact CG1-CE1 4.45Å; V179-E190 WeakPolarHBondContact O-CA 3.38Å; V179-N191 PolarHBondContact N-O 2.84Å; V179-N191 PolarHBondContact O-N 3.21Å
180	A	98.3	Very high	97.2	Very high	36 Å²	36	49.4 Å²	49.4	30%	0.298	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.1	171.2	0	0	0	0	0	108.8	C145 D146 Y189	C145-A180 CarbonylContact C-O 3.5Å; C145-A180 WeakPolarHBondContact CA-O 3.16Å; D146-A180 PolarHBondContact N-O 3.46Å; D146-A180 PolarHBondContact O-N 3Å; A180-Y189 CarbonylContact C-O 3.53Å; A180-Y189 VanDerWaalsContact CA-O 3.31Å; A180-Y189 WeakPolarHBondContact CA-O 3.41Å
181	C	98.3	Very high	97.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.9	-179.5	-51.6	0	0	0	0	111.4	W122 I143 T144 C145 V179 Q188 Y189	W122-C181 HydrophobicContact CE3-CB 4.07Å; W122-C181 HydrophobicContact CZ3-CB 4.21Å; I143-C181 HydrophobicContact CG2-CB 3.72Å; T144-C181 CarbonylContact O-C 3.54Å; T144-C181 WeakPolarHBondContact O-CA 3.11Å; T144-C181 WeakPolarHBondContact O-CB 3.49Å; C145-C181 HydrophobicContact CB-CB 4.05Å; C145-C181 WeakPolarHBondContact CB-SG 3.46Å; C145-C181 WeakPolarHBondContact SG-CB 3.32Å; C145-C181 CovalentContact SG-SG 2.04Å; C145-C181 PolarHBondContact SG-SG 3.34Å; V179-C181 VanDerWaalsContact CG1-SG 3.56Å; C181-Q188 WeakPolarHBondContact O-CA 3.3Å; C181-Y189 HydrophobicContact CB-CD1 4.39Å; C181-Y189 PolarHBondContact N-O 2.05Å; C181-Y189 PolarHBondContact O-N 2.83Å
182	N	98	Very high	97.2	Very high	72 Å²	72	45.2 Å²	45.2	39%	0.385	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133	168.9	-61.3	-76.9	0	0	0	108.5	T144 Q188	T144-N182 PolarHBondContact N-O 2.93Å; T144-N182 PolarHBondContact O-N 3.39Å; N182-Q188 WeakPolarHBondContact OD1-CG 3.43Å; N182-Q188 PolarHBondContact OD1-NE2 3.25Å
183	A	97.6	Very high	97.3	Very high	11 Å²	11	45.2 Å²	45.2	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	161.7	175.2	0	0	0	0	0	111.9	W122 H140 K142 I143 D185 G186 T187	W122-A183 HydrophobicContact CH2-CB 3.84Å; W122-A183 HydrophobicContact CZ3-CB 3.91Å; H140-A183 HydrophobicContact CB-CB 3.55Å; K142-A183 CarbonylContact O-C 3.58Å; K142-A183 WeakPolarHBondContact O-CA 3.29Å; I143-A183 HydrophobicContact CG1-CB 4.01Å; A183-D185 VanDerWaalsContact C-N 3.28Å; A183-D185 WeakPolarHBondContact CB-OD1 3.23Å; A183-D185 PolarHBondContact O-N 3.34Å; A183-G186 PolarHBondContact O-N 2.9Å; A183-T187 PolarHBondContact N-O 2.77Å
184	E	95.6	Very high	97.4	Very high	150 Å²	150	42.8 Å²	42.8	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32	-178.9	-174.9	173	-171.4	0	0	113.3	K142 G186	K142-E184 HydrophobicContact CB-CB 4.37Å; K142-E184 PolarHBondContact N-OE2 3.34Å; K142-E184 VanDerWaalsContact N-OE2 3.15Å; K142-E184 PolarHBondContact O-N 3.05Å; E184-G186 PolarHBondContact O-N 3.49Å
185	D	96.5	Very high	97.4	Very high	85 Å²	85	42.2 Å²	42.2	46%	0.455	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-0.5	174.7	73.4	-7.1	0	0	0	114.1	H140 A183 T187	H140-D185 IonicContact CE1-OD2 3.13Å; H140-D185 IonicContact CG-OD2 3.52Å; H140-D185 IonicContact ND1-OD1 3.88Å; H140-D185 IonicContact ND1-OD2 3.44Å; H140-D185 PolarHBondContact ND1-OD2 3.35Å; H140-D185 PolarHBondContact O-N 3.05Å; A183-D185 VanDerWaalsContact C-N 3.28Å; A183-D185 WeakPolarHBondContact CB-OD1 3.23Å; A183-D185 PolarHBondContact O-N 3.34Å; D185-T187 VanDerWaalsContact OD1-CB 3.28Å; D185-T187 WeakPolarHBondContact OD1-CB 3.41Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.33Å; D185-T187 PolarHBondContact OD1-N 2.94Å; D185-T187 PolarHBondContact OD1-OG1 3.14Å; D185-T187 WeakPolarHBondContact OD2-CG2 3.45Å; D185-T187 PolarHBondContact OD2-OG1 3.05Å
186	G	96.6	Very high	97.4	Very high	60 Å²	60	41.5 Å²	41.5	62%	0.619	23%	0.227	S	C	*	.	S	Bend	trans	85.9	1	-179.2	0	0	0	0	0	114.6	A183 E184	A183-G186 PolarHBondContact O-N 2.9Å; E184-G186 PolarHBondContact O-N 3.49Å
187	T	97.3	Very high	97.4	Very high	49 Å²	49	42.4 Å²	42.4	30%	0.301	23%	0.233	S	C	.	.			trans	-74	152.7	173.5	61	0	0	0	0	111.5	W122 H140 A183 D185	W122-T187 WeakPolarHBondContact CH2-OG1 3.31Å; W122-T187 WeakPolarHBondContact CZ2-OG1 3.33Å; H140-T187 PolarHBondContact ND1-OG1 3.03Å; A183-T187 PolarHBondContact N-O 2.77Å; D185-T187 VanDerWaalsContact OD1-CB 3.28Å; D185-T187 WeakPolarHBondContact OD1-CB 3.41Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.33Å; D185-T187 PolarHBondContact OD1-N 2.94Å; D185-T187 PolarHBondContact OD1-OG1 3.14Å; D185-T187 WeakPolarHBondContact OD2-CG2 3.45Å; D185-T187 PolarHBondContact OD2-OG1 3.05Å
188	Q	97.1	Very high	97.4	Very high	153 Å²	153	44 Å²	44	72%	0.715	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.8	-177.1	-61.4	-172.3	-40.2	0	0	110.7	C181 N182	C181-Q188 WeakPolarHBondContact O-CA 3.3Å; N182-Q188 WeakPolarHBondContact OD1-CG 3.43Å; N182-Q188 PolarHBondContact OD1-NE2 3.25Å
189	Y	97.7	Very high	97.4	Very high	23 Å²	23	44.4 Å²	44.4	9%	0.09	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.5	176.1	170.4	-93.1	0	0	0	109.6	N121 W122 V123 V179 A180 C181 N191 H193	N121-Y189 HydrophobicContact CB-CE2 4.47Å; W122-Y189 HydrophobicContact CB-CD1 4.14Å; W122-Y189 HydrophobicContact CB-CD2 3.9Å; W122-Y189 HydrophobicContact CB-CE1 4.32Å; W122-Y189 HydrophobicContact CB-CE2 4.09Å; W122-Y189 HydrophobicContact CB-CG 3.92Å; W122-Y189 VanDerWaalsContact CD2-CB 3.44Å; W122-Y189 AromaticContact CD2-CD2 3.99Å; W122-Y189 HydrophobicContact CD2-CD2 3.99Å; W122-Y189 AromaticContact CD2-CG 3.83Å; W122-Y189 HydrophobicContact CD2-CG 3.83Å; W122-Y189 AromaticContact CE3-CG 3.89Å; W122-Y189 HydrophobicContact CE3-CG 3.89Å; W122-Y189 AromaticContact CG-CD2 3.71Å; W122-Y189 HydrophobicContact CG-CD2 3.71Å; W122-Y189 HydrophobicContact CG-CE2 4.27Å; W122-Y189 AromaticContact CG-CG 3.87Å; W122-Y189 HydrophobicContact CG-CG 3.87Å; W122-Y189 VanDerWaalsContact CZ3-CB 3.46Å; V123-Y189 HydrophobicContact CB-CE1 4.19Å; V123-Y189 HydrophobicContact CG2-CE1 4.25Å; V179-Y189 HydrophobicContact CG1-CE1 4.45Å; A180-Y189 CarbonylContact C-O 3.53Å; A180-Y189 VanDerWaalsContact CA-O 3.31Å; A180-Y189 WeakPolarHBondContact CA-O 3.41Å; C181-Y189 HydrophobicContact CB-CD1 4.39Å; C181-Y189 PolarHBondContact N-O 2.05Å; C181-Y189 PolarHBondContact O-N 2.83Å; Y189-N191 HydrophobicContact CE1-CB 3.75Å; Y189-N191 HydrophobicContact CE2-CB 3.95Å; Y189-N191 WeakPolarHBondContact OH-CB 3.43Å; Y189-N191 PolarHBondContact OH-ND2 3.07Å; Y189-H193 AromaticContact CE1-NE2 3.76Å; Y189-H193 AromaticContact CZ-NE2 3.68Å; Y189-H193 PolarHBondContact OH-CE1 3.17Å; Y189-H193 PolarHBondContact OH-NE2 3.36Å
190	E	97.4	Very high	97.2	Very high	114 Å²	114	50.5 Å²	50.5	53%	0.533	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.2	171.1	-173.6	-179.9	120.9	0	0	109.4	K178 V179	K178-E190 VanDerWaalsContact CE-CG 3.47Å; K178-E190 WeakPolarHBondContact CE-OE1 3.5Å; K178-E190 WeakPolarHBondContact CE-OE2 3.22Å; K178-E190 IonicContact NZ-OE1 3.63Å; K178-E190 PolarHBondContact NZ-OE1 3.09Å; K178-E190 IonicContact NZ-OE2 3.83Å; K178-E190 PolarHBondContact NZ-OE2 3.02Å; V179-E190 WeakPolarHBondContact O-CA 3.38Å
191	N	97.3	Very high	97.1	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	172.5	179.2	-157.7	10.8	0	0	0	112.2	N121 V179 Y189 Y352 G353	N121-N191 PolarHBondContact ND2-ND2 2.84Å; N121-N191 PolarHBondContact OD1-ND2 3.27Å; N121-N191 VanDerWaalsContact OD1-ND2 3.14Å; V179-N191 PolarHBondContact N-O 2.84Å; V179-N191 PolarHBondContact O-N 3.21Å; Y189-N191 HydrophobicContact CE1-CB 3.75Å; Y189-N191 HydrophobicContact CE2-CB 3.95Å; Y189-N191 WeakPolarHBondContact OH-CB 3.43Å; Y189-N191 PolarHBondContact OH-ND2 3.07Å; N191-Y352 VanDerWaalsContact ND2-C 3.26Å; N191-Y352 PolarHBondContact ND2-O 2.85Å; N191-Y352 VanDerWaalsContact OD1-C 3.24Å; N191-Y352 WeakPolarHBondContact OD1-CA 3.41Å; N191-G353 PolarHBondContact ND2-N 2.95Å; N191-G353 PolarHBondContact OD1-N 3.29Å
192	Y	97.1	Very high	97.1	Very high	33 Å²	33	53.1 Å²	53.1	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.4	176.6	-56.3	-94.2	0	0	0	109.4	M177 K178 M341 T342 Y352	M177-Y192 WeakPolarHBondContact O-CA 3.38Å; K178-Y192 HydrophobicContact CB-CD1 3.77Å; K178-Y192 HydrophobicContact CB-CE1 3.75Å; K178-Y192 HydrophobicContact CD-CE1 3.9Å; K178-Y192 HydrophobicContact CG-CD1 3.98Å; K178-Y192 HydrophobicContact CG-CE1 3.67Å; Y192-M341 HydrophobicContact CD1-CG 4.13Å; Y192-M341 HydrophobicContact CD1-SD 3.56Å; Y192-M341 VanDerWaalsContact CD1-SD 3.56Å; Y192-M341 HydrophobicContact CE1-CE 4.28Å; Y192-M341 HydrophobicContact CE1-CG 3.79Å; Y192-M341 HydrophobicContact CE1-SD 3.6Å; Y192-T342 HydrophobicContact CD1-CG2 3.74Å; Y192-T342 HydrophobicContact CD2-CG2 4.07Å; Y192-T342 HydrophobicContact CE1-CG2 4.27Å; Y192-T342 HydrophobicContact CG-CG2 3.61Å; Y192-Y352 HydrophobicContact CD2-CD1 4.38Å
193	H	97.6	Very high	97	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.5	-174.6	-68.8	-80.3	0	0	0	111.3	V123 V125 F176 M177 Y189	V123-H193 PolarHBondContact O-CE1 3.39Å; V125-H193 HydrophobicContact CG1-CB 4.32Å; V125-H193 HydrophobicContact CG2-CB 3.6Å; F176-H193 WeakPolarHBondContact CA-O 3.26Å; M177-H193 HydrophobicContact CG-CB 4.25Å; M177-H193 PolarHBondContact N-O 2.89Å; M177-H193 VanDerWaalsContact N-O 3.11Å; M177-H193 PolarHBondContact O-N 3.01Å; Y189-H193 AromaticContact CE1-NE2 3.76Å; Y189-H193 AromaticContact CZ-NE2 3.68Å; Y189-H193 PolarHBondContact OH-CE1 3.17Å; Y189-H193 PolarHBondContact OH-NE2 3.36Å
194	A	97.4	Very high	96.9	Very high	18 Å²	18	57.4 Å²	57.4	15%	0.149	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.6	176.4	0	0	0	0	0	109.7	D175 F176 M335 F338 V360 Y364	D175-A194 CarbonylContact O-C 3.59Å; D175-A194 WeakPolarHBondContact O-CA 3.49Å; F176-A194 HydrophobicContact CD1-CB 3.78Å; F176-A194 HydrophobicContact CE1-CB 3.95Å; A194-M335 HydrophobicContact CB-CE 4.21Å; A194-F338 HydrophobicContact CB-CD2 4.07Å; A194-F338 HydrophobicContact CB-CE2 4.04Å; A194-F338 HydrophobicContact CB-CG 4.44Å; A194-F338 HydrophobicContact CB-CZ 4.37Å; A194-V360 HydrophobicContact CB-CG1 4.14Å; A194-Y364 HydrophobicContact CB-CD2 4.46Å
195	N	96.7	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.			trans	-144.7	168.6	168	70.9	-94.1	0	0	0	109.4	V125 G128 D175 V197 Y364	V125-N195 HydrophobicContact CB-CB 4.03Å; V125-N195 WeakPolarHBondContact CB-OD1 3.43Å; V125-N195 HydrophobicContact CG2-CB 3.77Å; G128-N195 PolarHBondContact N-ND2 3.21Å; D175-N195 CarbonylContact C-O 3.53Å; D175-N195 WeakPolarHBondContact CA-O 3.34Å; D175-N195 WeakPolarHBondContact CB-O 3.34Å; D175-N195 VanDerWaalsContact CG-O 3.24Å; D175-N195 PolarHBondContact O-N 3.41Å; D175-N195 VanDerWaalsContact O-O 3.05Å; N195-V197 WeakPolarHBondContact ND2-CG2 3.26Å; N195-V197 PolarHBondContact ND2-N 2.95Å; N195-Y364 VanDerWaalsContact O-CE2 3.26Å; N195-Y364 WeakPolarHBondContact O-CE2 3.28Å
196	V	98.2	Very high	96.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	29%	0.287	C	S	.	.			trans	-91.4	122.6	165.4	172.2	0	0	0	0	109.9	G128 P198 Y364 D367 F368 A371 Y372	G128-V196 PolarHBondContact N-O 3.48Å; V196-P198 WeakPolarHBondContact O-CD 3.36Å; V196-Y364 HydrophobicContact CG2-CD2 3.77Å; V196-Y364 HydrophobicContact CG2-CE2 3.56Å; V196-Y364 HydrophobicContact CG2-CG 4.47Å; V196-Y364 WeakPolarHBondContact CG2-O 3.32Å; V196-D367 HydrophobicContact CB-CB 3.96Å; V196-D367 HydrophobicContact CG2-CB 3.91Å; V196-F368 HydrophobicContact CG2-CB 3.89Å; V196-A371 HydrophobicContact CB-CB 4.46Å; V196-A371 HydrophobicContact CG1-CB 3.67Å; V196-Y372 HydrophobicContact CG1-CE2 4.01Å
197	V	98	Very high	95.9	Very high	27 Å²	27	51.9 Å²	51.9	16%	0.164	27%	0.268	C	S	.	.			trans	-90.6	111.7	167.5	-177	0	0	0	0	107.7	V172 T174 D175 N195 Q199 H333	V172-V197 HydrophobicContact CG2-CG2 4.21Å; T174-V197 VanDerWaalsContact O-CG2 3.28Å; T174-V197 WeakPolarHBondContact O-CG2 3.39Å; D175-V197 WeakPolarHBondContact OD1-CB 3.38Å; D175-V197 PolarHBondContact OD1-N 3.24Å; N195-V197 WeakPolarHBondContact ND2-CG2 3.26Å; N195-V197 PolarHBondContact ND2-N 2.95Å; V197-Q199 PolarHBondContact O-N 3.31Å; V197-H333 PolarHBondContact O-CE1 2.84Å
198	P	97.3	Very high	95	Very high	36 Å²	36	56.7 Å²	56.7	23%	0.234	28%	0.282	C	S	.	.			trans	-60.3	125.7	-179.8	-19.6	29.6	0	0	0	111.6	N127 V196 I203 A371	N127-P198 WeakPolarHBondContact OD1-CG 3.41Å; V196-P198 WeakPolarHBondContact O-CD 3.36Å; P198-I203 HydrophobicContact CB-CD1 3.96Å; P198-A371 HydrophobicContact CB-CB 4.4Å; P198-A371 HydrophobicContact CG-CB 3.98Å
199	Q	96.8	Very high	93.8	Very high	54 Å²	54	59.5 Å²	59.5	25%	0.252	29%	0.286	S	S	.	.			trans	-96.1	127.8	-178.6	-60.1	173.9	18.9	0	0	110.6	V197 D201 V202 I203 D332 H333 Y372	V197-Q199 PolarHBondContact O-N 3.31Å; Q199-D201 VanDerWaalsContact C-N 3.3Å; Q199-D201 VanDerWaalsContact CB-OD1 3.3Å; Q199-D201 WeakPolarHBondContact CB-OD1 3.28Å; Q199-D201 PolarHBondContact O-N 3.38Å; Q199-V202 HydrophobicContact CB-CB 4.25Å; Q199-V202 HydrophobicContact CB-CG2 3.76Å; Q199-V202 PolarHBondContact O-N 2.93Å; Q199-V202 VanDerWaalsContact O-N 3.16Å; Q199-I203 WeakPolarHBondContact O-CG1 3.49Å; Q199-I203 PolarHBondContact O-N 3.14Å; Q199-D332 PolarHBondContact NE2-O 3.01Å; Q199-H333 PolarHBondContact NE2-CE1 2.85Å; Q199-Y372 PolarHBondContact N-OH 2.98Å
200	L	95.7	Very high	92.8	Very high	128 Å²	128	60.9 Å²	60.9	67%	0.67	30%	0.298	S	S	*	.	H	α-helix	trans	-63.3	-33.5	-176.6	-71.8	177.5	0	0	0	113	V202 I203 N204	L200-V202 VanDerWaalsContact C-N 3.34Å; L200-I203 PolarHBondContact O-N 2.9Å; L200-N204 VanDerWaalsContact O-CB 3.22Å; L200-N204 WeakPolarHBondContact O-CB 3.48Å; L200-N204 VanDerWaalsContact O-CG 3.28Å; L200-N204 PolarHBondContact O-N 3.08Å; L200-N204 PolarHBondContact O-ND2 3.44Å
201	D	96.1	Very high	91.9	Very high	92 Å²	92	61.5 Å²	61.5	49%	0.492	32%	0.316	S	S	.	.	H	α-helix	trans	-68.7	-33.2	176.5	69.9	-58.8	0	0	0	112	Q199 R205	Q199-D201 VanDerWaalsContact C-N 3.3Å; Q199-D201 VanDerWaalsContact CB-OD1 3.3Å; Q199-D201 WeakPolarHBondContact CB-OD1 3.28Å; Q199-D201 PolarHBondContact O-N 3.38Å; D201-R205 WeakPolarHBondContact O-CA 3.22Å; D201-R205 WeakPolarHBondContact O-CB 3.39Å; D201-R205 PolarHBondContact O-N 2.84Å; D201-R205 IonicContact OD2-NH2 2.67Å
202	V	97.2	Very high	91.2	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-71.1	-45.2	172.3	-176	0	0	0	0	110.2	Q199 L200 N204 R205 A306 D332 Y372	Q199-V202 HydrophobicContact CB-CB 4.25Å; Q199-V202 HydrophobicContact CB-CG2 3.76Å; Q199-V202 PolarHBondContact O-N 2.93Å; Q199-V202 VanDerWaalsContact O-N 3.16Å; L200-V202 VanDerWaalsContact C-N 3.34Å; V202-N204 VanDerWaalsContact C-N 3.3Å; V202-N204 PolarHBondContact O-N 3.48Å; V202-R205 WeakPolarHBondContact O-CB 3.27Å; V202-R205 PolarHBondContact O-N 3.37Å; V202-A306 HydrophobicContact CG1-CB 3.58Å; V202-D332 HydrophobicContact CG2-CB 3.8Å; V202-Y372 HydrophobicContact CB-CE1 3.72Å; V202-Y372 HydrophobicContact CG1-CD1 3.86Å; V202-Y372 HydrophobicContact CG1-CE1 3.44Å; V202-Y372 VanDerWaalsContact CG1-CE1 3.44Å
203	I	96.1	Very high	90.8	Very high	60 Å²	60	64.6 Å²	64.6	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-40.5	177.2	-67.5	169.3	0	0	0	110.4	P198 Q199 L200 Y372 R375	P198-I203 HydrophobicContact CB-CD1 3.96Å; Q199-I203 WeakPolarHBondContact O-CG1 3.49Å; Q199-I203 PolarHBondContact O-N 3.14Å; L200-I203 PolarHBondContact O-N 2.9Å; I203-Y372 HydrophobicContact CG1-CD1 4.21Å; I203-Y372 HydrophobicContact CG1-CE1 3.95Å; I203-R375 PolarHBondContact O-NE 3.41Å; I203-R375 PolarHBondContact O-NH2 2.79Å
204	N	95.4	Very high	90.5	Very high	114 Å²	114	64.5 Å²	64.5	61%	0.61	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	0.3	-176.5	-65.7	-33	0	0	0	114	L200 V202 V206	L200-N204 VanDerWaalsContact O-CB 3.22Å; L200-N204 WeakPolarHBondContact O-CB 3.48Å; L200-N204 VanDerWaalsContact O-CG 3.28Å; L200-N204 PolarHBondContact O-N 3.08Å; L200-N204 PolarHBondContact O-ND2 3.44Å; V202-N204 VanDerWaalsContact C-N 3.3Å; V202-N204 PolarHBondContact O-N 3.48Å; N204-V206 PolarHBondContact O-N 3.42Å
205	R	94.5	Very high	90.2	Very high	37 Å²	37	68.1 Å²	68.1	14%	0.14	36%	0.363	C	S	.	.			trans	-56.5	130.9	-180	-164.7	173.9	-66.5	158.1	-0.5	111.2	D201 V202 Q207 Y305 D332 R375	D201-R205 WeakPolarHBondContact O-CA 3.22Å; D201-R205 WeakPolarHBondContact O-CB 3.39Å; D201-R205 PolarHBondContact O-N 2.84Å; D201-R205 IonicContact OD2-NH2 2.67Å; V202-R205 WeakPolarHBondContact O-CB 3.27Å; V202-R205 PolarHBondContact O-N 3.37Å; R205-Q207 PolarHBondContact O-N 3.23Å; R205-Y305 PolarHBondContact NH1-O 2.88Å; R205-D332 IonicContact CZ-OD1 3.94Å; R205-D332 IonicContact CZ-OD2 3.97Å; R205-D332 IonicContact NH1-OD1 3.85Å; R205-D332 PolarHBondContact NH1-OD1 3.36Å; R205-D332 IonicContact NH1-OD2 2.75Å; R205-D332 PolarHBondContact NH1-OD2 3.04Å; R205-D332 IonicContact NH2-OD1 3.24Å; R205-D332 PolarHBondContact NH2-OD1 3.48Å; R205-D332 IonicContact NH2-OD2 2.76Å; R205-R375 PolarHBondContact O-NH2 3.31Å
206	V	89.6	Confident	90.1	Very high	94 Å²	94	68.1 Å²	68.1	57%	0.57	36%	0.363	S	S	*	.			trans	-62	126.9	177	177.8	0	0	0	0	109.5	N204 Y208	N204-V206 PolarHBondContact O-N 3.42Å; V206-Y208 HydrophobicContact CB-CE2 4.35Å; V206-Y208 HydrophobicContact CG1-CD2 4.46Å; V206-Y208 HydrophobicContact CG1-CE1 4.43Å; V206-Y208 HydrophobicContact CG1-CE2 4.13Å
207	Q	82.8	Confident	90.1	Very high	47 Å²	47	68.8 Å²	68.8	22%	0.22	37%	0.366	C	S	.	.			trans	-93.5	110.5	176.8	-168.9	179.4	36.2	0	0	109.6	R205 R209	R205-Q207 PolarHBondContact O-N 3.23Å; Q207-R209 HydrophobicContact CG-CG 4.43Å; Q207-R209 PolarHBondContact O-N 3.45Å
208	Y	80.1	Confident	90.1	Very high	150 Å²	150	67.6 Å²	67.6	59%	0.588	36%	0.359	S	S	*	.			trans	-81.2	102.5	175.1	-67.1	-85.4	0	0	0	109.3	V206 S210 K302 L303	V206-Y208 HydrophobicContact CB-CE2 4.35Å; V206-Y208 HydrophobicContact CG1-CD2 4.46Å; V206-Y208 HydrophobicContact CG1-CE1 4.43Å; V206-Y208 HydrophobicContact CG1-CE2 4.13Å; Y208-S210 PolarHBondContact O-N 3.05Å; Y208-K302 WeakPolarHBondContact CD2-O 3.28Å; Y208-L303 PolarHBondContact N-O 3.16Å
209	R	70.8	Confident	90.2	Very high	213 Å²	213	65.9 Å²	65.9	80%	0.804	35%	0.348	S	S	*	.			trans	-84.8	96.8	173	-65.9	-173.9	-178.3	-179.2	0.7	109.2	Q207	Q207-R209 HydrophobicContact CG-CG 4.43Å; Q207-R209 PolarHBondContact O-N 3.45Å
210	S	77.1	Confident	90.3	Very high	51 Å²	51	63.3 Å²	63.3	36%	0.357	34%	0.336	S	S	.	.			trans	-72.5	134.5	163.3	172.4	0	0	0	0	108.9	Y208 T212 A213	Y208-S210 PolarHBondContact O-N 3.05Å; S210-T212 PolarHBondContact O-N 3.39Å; S210-T212 VanDerWaalsContact O-N 3.1Å; S210-T212 PolarHBondContact OG-N 3.25Å; S210-T212 PolarHBondContact OG-OG1 2.81Å; S210-A213 PolarHBondContact O-N 3.24Å; S210-A213 VanDerWaalsContact O-N 3.15Å
211	S	77.2	Confident	90.4	Very high	128 Å²	128	57.2 Å²	57.2	90%	0.895	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14	174.1	55.6	0	0	0	0	113.4
212	T	83.9	Confident	90.6	Very high	69 Å²	69	52.9 Å²	52.9	42%	0.423	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-7.6	179.2	59.4	0	0	0	0	113.5	S210 F489	S210-T212 PolarHBondContact O-N 3.39Å; S210-T212 VanDerWaalsContact O-N 3.1Å; S210-T212 PolarHBondContact OG-N 3.25Å; S210-T212 PolarHBondContact OG-OG1 2.81Å; T212-F489 WeakPolarHBondContact O-CB 3.16Å; T212-F489 PolarHBondContact O-N 2.84Å
213	A	88	Confident	90.6	Very high	29 Å²	29	52.9 Å²	52.9	24%	0.24	28%	0.281	C	S	.	.	S	Bend	trans	-83.6	144.7	178.7	0	0	0	0	0	110.9	S210 P215 V486 L487	S210-A213 PolarHBondContact O-N 3.24Å; S210-A213 VanDerWaalsContact O-N 3.15Å; A213-P215 WeakPolarHBondContact O-CD 3.27Å; A213-V486 WeakPolarHBondContact CA-O 3.3Å; A213-L487 WeakPolarHBondContact CA-O 3.24Å; A213-L487 WeakPolarHBondContact CB-O 3.21Å
214	L	91.3	Very high	90.6	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.267	C	S	.	.			trans	-88.5	117.6	171.5	-174.5	74.3	0	0	0	109.1	V216 I418 W454 F455 Y459 V486 F489	L214-V216 VanDerWaalsContact C-N 3.32Å; L214-V216 HydrophobicContact CB-CG2 4.5Å; L214-V216 HydrophobicContact CD2-CG1 3.97Å; L214-V216 HydrophobicContact CD2-CG2 3.73Å; L214-V216 HydrophobicContact CG-CG1 3.99Å; L214-V216 HydrophobicContact CG-CG2 4Å; L214-V216 PolarHBondContact O-N 2.86Å; L214-I418 HydrophobicContact CD2-CD1 4.44Å; L214-W454 HydrophobicContact CD1-CH2 3.97Å; L214-W454 HydrophobicContact CD1-CZ3 4.42Å; L214-F455 HydrophobicContact CD2-CD2 4.11Å; L214-F455 HydrophobicContact CD2-CE2 3.64Å; L214-Y459 HydrophobicContact CD1-CE2 3.73Å; L214-V486 HydrophobicContact CB-CG1 4.22Å; L214-V486 PolarHBondContact N-O 3.47Å; L214-V486 WeakPolarHBondContact O-CG1 3.23Å; L214-F489 HydrophobicContact CB-CB 4.31Å; L214-F489 HydrophobicContact CB-CD2 3.85Å; L214-F489 HydrophobicContact CB-CE2 4.37Å; L214-F489 HydrophobicContact CB-CG 4.1Å; L214-F489 HydrophobicContact CD1-CZ 4.47Å; L214-F489 HydrophobicContact CD2-CD2 4.01Å; L214-F489 HydrophobicContact CD2-CE2 3.67Å; L214-F489 HydrophobicContact CD2-CZ 4.13Å; L214-F489 HydrophobicContact CG-CD2 4.38Å; L214-F489 HydrophobicContact CG-CE2 4.43Å
215	P	90.4	Very high	90.6	Very high	94 Å²	94	45.3 Å²	45.3	61%	0.61	24%	0.242	S	C	*	.			trans	-81.3	75	-175.3	33.4	-35.7	0	0	0	111.5	A213 L376	A213-P215 WeakPolarHBondContact O-CD 3.27Å; P215-L376 HydrophobicContact CB-CD1 4.21Å
216	V	95.7	Very high	90.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.			trans	-125.7	149.4	178.7	-70.6	0	0	0	0	111.8	L214 Y305 G416 I418 P452 W454 V486	L214-V216 VanDerWaalsContact C-N 3.32Å; L214-V216 HydrophobicContact CB-CG2 4.5Å; L214-V216 HydrophobicContact CD2-CG1 3.97Å; L214-V216 HydrophobicContact CD2-CG2 3.73Å; L214-V216 HydrophobicContact CG-CG1 3.99Å; L214-V216 HydrophobicContact CG-CG2 4Å; L214-V216 PolarHBondContact O-N 2.86Å; V216-Y305 WeakPolarHBondContact O-CE1 3.39Å; V216-Y305 PolarHBondContact O-OH 3.15Å; V216-Y305 VanDerWaalsContact O-OH 3.04Å; V216-G416 CarbonylContact C-O 3.59Å; V216-G416 WeakPolarHBondContact CA-O 3.37Å; V216-I418 HydrophobicContact CG2-CD1 3.77Å; V216-I418 HydrophobicContact CG2-CG1 4.12Å; V216-P452 HydrophobicContact CG1-CG 4.46Å; V216-W454 HydrophobicContact CG1-CH2 3.89Å; V216-W454 HydrophobicContact CG1-CZ2 3.61Å; V216-V486 HydrophobicContact CG2-CG1 3.62Å; V216-V486 HydrophobicContact CG2-CG2 4.15Å
217	N	97.7	Very high	91.1	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	152.9	165.9	-49.8	-50.6	0	0	0	109.8	F369 L376 K377 G416 T417 I418	N217-F369 HydrophobicContact CB-CE1 4.45Å; N217-L376 WeakPolarHBondContact OD1-CA 3.46Å; N217-K377 CarbonylContact C-O 3.58Å; N217-K377 VanDerWaalsContact CA-O 3.24Å; N217-K377 WeakPolarHBondContact CA-O 3.23Å; N217-K377 HydrophobicContact CB-CB 4.16Å; N217-K377 WeakPolarHBondContact CB-O 3.29Å; N217-K377 PolarHBondContact OD1-N 3.33Å; N217-G416 PolarHBondContact N-O 3.24Å; N217-G416 PolarHBondContact ND2-O 3.22Å; N217-T417 HydrophobicContact CB-CG2 3.94Å; N217-T417 WeakPolarHBondContact CB-OG1 2.97Å; N217-T417 PolarHBondContact ND2-OG1 2.9Å; N217-T417 WeakPolarHBondContact O-CA 3.48Å; N217-I418 PolarHBondContact O-N 3.21Å
218	L	98.5	Very high	91.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.1	173.8	-67.6	173.8	0	0	0	107.9	L300 K377 F378 A379 I418 L483 V486	L218-L300 HydrophobicContact CD1-CD1 3.71Å; L218-L300 HydrophobicContact CD1-CD2 3.92Å; L218-L300 HydrophobicContact CD1-CG 4.5Å; L218-K377 PolarHBondContact N-O 2.92Å; L218-F378 HydrophobicContact CB-CD2 3.76Å; L218-F378 HydrophobicContact CB-CE2 4.45Å; L218-F378 HydrophobicContact CD1-CD2 4.15Å; L218-F378 CarbonylContact O-C 3.51Å; L218-F378 VanDerWaalsContact O-CA 3.28Å; L218-F378 WeakPolarHBondContact O-CA 3.45Å; L218-A379 PolarHBondContact O-N 3.34Å; L218-I418 HydrophobicContact CD2-CB 4.09Å; L218-I418 HydrophobicContact CD2-CD1 4.41Å; L218-L483 HydrophobicContact CD1-CD2 4.11Å; L218-L483 HydrophobicContact CD2-CD2 3.84Å; L218-L483 HydrophobicContact CG-CD2 4.42Å; L218-V486 HydrophobicContact CD2-CG2 4.11Å
219	Y	98.9	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119	175.8	179.2	-153.1	0	0	0	110	L221 V365 F369 A379 Q381 H404 L408 I418 L419 V420	Y219-L221 HydrophobicContact CE2-CB 4.14Å; Y219-V365 HydrophobicContact CE1-CG1 4.22Å; Y219-V365 HydrophobicContact CE2-CG1 4.05Å; Y219-F369 HydrophobicContact CD1-CE2 4.45Å; Y219-F369 HydrophobicContact CD1-CZ 4.47Å; Y219-F369 HydrophobicContact CG-CE2 4.36Å; Y219-F369 HydrophobicContact CG-CZ 4.35Å; Y219-A379 CarbonylContact C-O 3.53Å; Y219-A379 WeakPolarHBondContact CA-O 3.45Å; Y219-A379 HydrophobicContact CD2-CB 3.77Å; Y219-A379 HydrophobicContact CE2-CB 4.39Å; Y219-Q381 HydrophobicContact CE2-CG 4Å; Y219-H404 AromaticContact CE1-NE2 3.51Å; Y219-H404 AromaticContact CZ-NE2 3.6Å; Y219-H404 PolarHBondContact OH-NE2 3.26Å; Y219-L408 HydrophobicContact CD1-CD1 3.93Å; Y219-L408 HydrophobicContact CE1-CD1 3.6Å; Y219-I418 PolarHBondContact N-O 2.82Å; Y219-L419 HydrophobicContact CD1-CD1 3.55Å; Y219-L419 HydrophobicContact CE1-CD1 3.97Å; Y219-L419 HydrophobicContact CG-CD1 4.03Å; Y219-L419 CarbonylContact O-C 3.51Å; Y219-L419 VanDerWaalsContact O-CA 3.3Å; Y219-L419 WeakPolarHBondContact O-CA 3.33Å; Y219-V420 PolarHBondContact O-N 3.48Å
220	I	98.9	Very high	93.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.4	176.2	-53.6	172.9	0	0	0	107.7	A222 L268 F378 A379 F380 Q381 V420 M422 L483	I220-A222 HydrophobicContact CG2-CB 4.44Å; I220-L268 HydrophobicContact CD1-CD2 4.5Å; I220-F378 HydrophobicContact CD1-CE2 4.21Å; I220-F378 HydrophobicContact CD1-CZ 4.36Å; I220-A379 PolarHBondContact N-O 3.14Å; I220-F380 HydrophobicContact CB-CD2 3.73Å; I220-F380 HydrophobicContact CB-CE2 4.49Å; I220-F380 HydrophobicContact CG2-CD2 3.58Å; I220-F380 HydrophobicContact CG2-CE2 3.84Å; I220-F380 WeakPolarHBondContact O-CA 3.46Å; I220-Q381 PolarHBondContact O-N 2.88Å; I220-V420 CarbonylContact C-O 3.56Å; I220-V420 WeakPolarHBondContact CA-O 3.36Å; I220-V420 HydrophobicContact CG1-CB 4.22Å; I220-V420 HydrophobicContact CG2-CB 4.38Å; I220-V420 HydrophobicContact CG2-CG1 4.5Å; I220-M422 HydrophobicContact CG2-CG 4.02Å; I220-M422 HydrophobicContact CG2-SD 3.8Å; I220-L483 HydrophobicContact CD1-CD1 3.89Å; I220-L483 HydrophobicContact CD1-CD2 4.37Å
221	L	98.9	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	107.6	172	173	62.1	0	0	0	108	Y219 F223 L362 Q381 H383 V401 L405 V420 V421 M422	Y219-L221 HydrophobicContact CE2-CB 4.14Å; L221-F223 HydrophobicContact CD1-CE2 4.33Å; L221-F223 HydrophobicContact CD1-CZ 4.24Å; L221-F223 HydrophobicContact CD2-CE2 4.27Å; L221-F223 HydrophobicContact CD2-CZ 4.37Å; L221-F223 HydrophobicContact CG-CE2 3.92Å; L221-F223 HydrophobicContact CG-CZ 4.22Å; L221-L362 HydrophobicContact CD1-CD2 4.01Å; L221-Q381 HydrophobicContact CD1-CB 4.24Å; L221-H383 VanDerWaalsContact CD1-NE2 3.29Å; L221-H383 WeakPolarHBondContact CD1-NE2 3.47Å; L221-V401 HydrophobicContact CD2-CG1 3.91Å; L221-L405 HydrophobicContact CD2-CD2 4.37Å; L221-V420 PolarHBondContact N-O 3.26Å; L221-V421 HydrophobicContact CD2-CG1 4.39Å; L221-V421 HydrophobicContact CD2-CG2 4.48Å; L221-V421 CarbonylContact O-C 3.51Å; L221-V421 VanDerWaalsContact O-CA 3.31Å; L221-V421 WeakPolarHBondContact O-CA 3.37Å; L221-M422 PolarHBondContact O-N 3.29Å
222	A	98.7	Very high	95.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.5	-172.5	0	0	0	0	0	112.7	I220 F380 Q381 F382 H383 M422	I220-A222 HydrophobicContact CG2-CB 4.44Å; A222-F380 HydrophobicContact CB-CE2 3.75Å; A222-Q381 WeakPolarHBondContact CA-O 3.45Å; A222-Q381 WeakPolarHBondContact CB-O 3.47Å; A222-Q381 PolarHBondContact N-O 3.16Å; A222-F382 HydrophobicContact CB-CD2 3.59Å; A222-F382 HydrophobicContact CB-CE2 4.05Å; A222-F382 WeakPolarHBondContact O-CA 3.42Å; A222-H383 PolarHBondContact O-CD2 3.09Å; A222-H383 PolarHBondContact O-N 2.7Å; A222-M422 CarbonylContact C-O 3.48Å; A222-M422 VanDerWaalsContact CA-O 3.24Å; A222-M422 WeakPolarHBondContact CA-O 3.1Å; A222-M422 HydrophobicContact CB-CG 3.69Å
223	F	98.3	Very high	96.4	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.5	178.8	-60.6	-93.8	0	0	0	111.8	L221 V226 F231 M235 H383 L394 V401 V421 M422 S423 D424	L221-F223 HydrophobicContact CD1-CE2 4.33Å; L221-F223 HydrophobicContact CD1-CZ 4.24Å; L221-F223 HydrophobicContact CD2-CE2 4.27Å; L221-F223 HydrophobicContact CD2-CZ 4.37Å; L221-F223 HydrophobicContact CG-CE2 3.92Å; L221-F223 HydrophobicContact CG-CZ 4.22Å; F223-V226 HydrophobicContact CB-CG2 3.87Å; F223-F231 HydrophobicContact CD2-CE2 4.32Å; F223-F231 HydrophobicContact CE2-CE2 4.25Å; F223-M235 HydrophobicContact CZ-CE 4.41Å; F223-H383 CarbonylContact C-O 3.57Å; F223-H383 VanDerWaalsContact CA-O 3.25Å; F223-H383 WeakPolarHBondContact CA-O 3.14Å; F223-H383 HydrophobicContact CD1-CB 3.79Å; F223-H383 HydrophobicContact CE1-CB 4.07Å; F223-L394 HydrophobicContact CD1-CD1 4.27Å; F223-V401 HydrophobicContact CE1-CG2 4.25Å; F223-V401 HydrophobicContact CZ-CG1 4.28Å; F223-V401 HydrophobicContact CZ-CG2 3.81Å; F223-V421 HydrophobicContact CE2-CG1 4.37Å; F223-M422 PolarHBondContact N-O 2.99Å; F223-S423 WeakPolarHBondContact O-CA 3.48Å; F223-S423 VanDerWaalsContact O-CB 3.24Å; F223-S423 WeakPolarHBondContact O-CB 3.48Å; F223-D424 PolarHBondContact O-N 2.94Å
224	D	96	Very high	96.8	Very high	5 Å²	5	13.2 Å²	13.2	3%	0.027	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	122.2	168.2	159.4	23.9	0	0	0	109.8	F382 H383 S384 S387 H388 D424 H425	D224-F382 HydrophobicContact CB-CE1 3.53Å; D224-F382 HydrophobicContact CB-CZ 3.51Å; D224-H383 PolarHBondContact N-O 3.18Å; D224-S384 WeakPolarHBondContact CB-OG 3.36Å; D224-S384 WeakPolarHBondContact OD2-CB 3.48Å; D224-S384 PolarHBondContact OD2-OG 2.76Å; D224-S387 CarbonylContact O-C 3.4Å; D224-S387 WeakPolarHBondContact O-CB 3.26Å; D224-S387 PolarHBondContact O-OG 2.93Å; D224-H388 PolarHBondContact O-N 2.75Å; D224-H388 IonicContact OD1-CD2 2.7Å; D224-H388 PolarHBondContact OD1-CD2 3.45Å; D224-H388 IonicContact OD2-CD2 3.34Å; D224-H388 PolarHBondContact OD2-CD2 3.48Å; D224-H388 IonicContact OD2-CG 3.49Å; D224-D424 WeakPolarHBondContact CA-OD1 3.02Å; D224-H425 IonicContact OD1-CE1 2.76Å
225	S	94.6	Very high	97.1	Very high	10 Å²	10	13 Å²	13	7%	0.07	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	cis	-134.4	104.2	-4.3	24.6	0	0	0	0	109.6	H425	S225-H425 CarbonylContact C-O 3.53Å; S225-H425 VanDerWaalsContact CA-O 3.27Å; S225-H425 WeakPolarHBondContact CA-O 3.3Å; S225-H425 WeakPolarHBondContact CB-CE1 3.33Å; S225-H425 WeakPolarHBondContact CB-ND1 3.43Å; S225-H425 WeakPolarHBondContact CB-O 3.36Å; S225-H425 PolarHBondContact OG-CE1 3.15Å
226	V	97.3	Very high	97.5	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	7%	0.072	C	C	.	.			trans	-118.3	114.5	-164.6	-167	0	0	0	0	111.1	F223 Q230 F231 L394 S423 H425 P445 F446	F223-V226 HydrophobicContact CB-CG2 3.87Å; V226-Q230 HydrophobicContact CG1-CB 3.97Å; V226-Q230 HydrophobicContact CG1-CG 4.11Å; V226-F231 HydrophobicContact CG1-CB 3.73Å; V226-F231 HydrophobicContact CG1-CD2 4.14Å; V226-F231 HydrophobicContact CG1-CG 4.45Å; V226-L394 HydrophobicContact CB-CD2 4.15Å; V226-L394 HydrophobicContact CG1-CD2 3.37Å; V226-L394 HydrophobicContact CG2-CD1 4.29Å; V226-L394 HydrophobicContact CG2-CD2 3.61Å; V226-S423 WeakPolarHBondContact CB-OG 3.48Å; V226-S423 WeakPolarHBondContact O-CB 3.34Å; V226-S423 PolarHBondContact O-OG 2.95Å; V226-H425 CarbonylContact C-O 3.51Å; V226-H425 PolarHBondContact N-O 3.02Å; V226-P445 WeakPolarHBondContact O-CA 3.31Å; V226-F446 PolarHBondContact O-N 3.16Å; V226-F446 VanDerWaalsContact O-N 3.17Å
227	S	97.3	Very high	97.6	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.021	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-64	158.6	170.2	74.7	0	0	0	0	110.9	L229 Q230 F231 E441	S227-L229 VanDerWaalsContact C-N 3.26Å; S227-L229 PolarHBondContact O-N 3.35Å; S227-Q230 PolarHBondContact O-N 2.98Å; S227-Q230 VanDerWaalsContact O-N 3.15Å; S227-Q230 WeakPolarHBondContact OG-CB 3.35Å; S227-Q230 PolarHBondContact OG-N 2.83Å; S227-F231 PolarHBondContact O-N 2.84Å; S227-E441 WeakPolarHBondContact CB-O 3.24Å; S227-E441 PolarHBondContact OG-OE2 2.79Å
228	R	97.7	Very high	97.7	Very high	41 Å²	41	20.7 Å²	20.7	16%	0.155	9%	0.088	C	C	.	.	H	α-helix	trans	-51.9	-47.5	174.2	174.8	176.8	164.4	-94.7	-1.9	111.6	M232 E252 N444 F446	R228-M232 HydrophobicContact CG-SD 4.31Å; R228-M232 WeakPolarHBondContact O-CG 3.42Å; R228-M232 PolarHBondContact O-N 3.41Å; R228-M232 VanDerWaalsContact O-N 3.14Å; R228-E252 IonicContact NH2-OE1 3.87Å; R228-N444 PolarHBondContact N-O 3.41Å; R228-F446 HydrophobicContact CG-CD2 4.43Å
229	L	97.2	Very high	97.7	Very high	5 Å²	5	23 Å²	23	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-73	-35.5	-179.3	-62.8	-172.2	0	0	0	112.1	Q97 L99 S227 F231 M232 R233 E441	Q97-L229 HydrophobicContact CB-CD1 3.52Å; Q97-L229 HydrophobicContact CB-CG 4.5Å; L99-L229 HydrophobicContact CD1-CB 4.29Å; L99-L229 HydrophobicContact CD1-CD2 4.23Å; S227-L229 VanDerWaalsContact C-N 3.26Å; S227-L229 PolarHBondContact O-N 3.35Å; L229-F231 VanDerWaalsContact C-N 3.31Å; L229-F231 PolarHBondContact O-N 2.79Å; L229-M232 HydrophobicContact CD2-SD 3.93Å; L229-M232 CarbonylContact O-C 3.43Å; L229-M232 WeakPolarHBondContact O-CB 3.36Å; L229-M232 PolarHBondContact O-N 2.82Å; L229-M232 VanDerWaalsContact O-N 3.16Å; L229-R233 WeakPolarHBondContact O-CG 3.43Å; L229-R233 PolarHBondContact O-N 3.37Å; L229-E441 HydrophobicContact CD1-CG 4.4Å
230	Q	96.3	Very high	97.7	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-63.3	-40	174.9	-171.3	64.8	10	0	0	111.6	M108 V226 S227 M232 R233 K234 H391	M108-Q230 PolarHBondContact SD-OE1 2.89Å; V226-Q230 HydrophobicContact CG1-CB 3.97Å; V226-Q230 HydrophobicContact CG1-CG 4.11Å; S227-Q230 PolarHBondContact O-N 2.98Å; S227-Q230 VanDerWaalsContact O-N 3.15Å; S227-Q230 WeakPolarHBondContact OG-CB 3.35Å; S227-Q230 PolarHBondContact OG-N 2.83Å; Q230-M232 VanDerWaalsContact C-N 3.33Å; Q230-M232 PolarHBondContact O-N 3.41Å; Q230-R233 PolarHBondContact O-N 3.01Å; Q230-R233 VanDerWaalsContact O-N 3.15Å; Q230-K234 HydrophobicContact CG-CG 4.44Å; Q230-K234 VanDerWaalsContact NE2-CG 3.27Å; Q230-K234 PolarHBondContact O-N 3.13Å; Q230-H391 HydrophobicContact CG-CB 4.45Å; Q230-H391 PolarHBondContact NE2-CD2 2.79Å; Q230-H391 VanDerWaalsContact NE2-CD2 3.35Å; Q230-H391 PolarHBondContact NE2-O 2.81Å
231	F	98.3	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-46.2	172.7	-165.3	-81.8	0	0	0	110.3	F223 V226 S227 L229 R233 K234 M235 T238 Y239 I242 V421 F446	F223-F231 HydrophobicContact CD2-CE2 4.32Å; F223-F231 HydrophobicContact CE2-CE2 4.25Å; V226-F231 HydrophobicContact CG1-CB 3.73Å; V226-F231 HydrophobicContact CG1-CD2 4.14Å; V226-F231 HydrophobicContact CG1-CG 4.45Å; S227-F231 PolarHBondContact O-N 2.84Å; L229-F231 VanDerWaalsContact C-N 3.31Å; L229-F231 PolarHBondContact O-N 2.79Å; F231-R233 VanDerWaalsContact C-N 3.29Å; F231-R233 PolarHBondContact O-N 3.17Å; F231-K234 PolarHBondContact O-N 3.36Å; F231-M235 HydrophobicContact CD1-CB 3.83Å; F231-M235 HydrophobicContact CD2-CB 4.2Å; F231-M235 HydrophobicContact CD2-CG 3.99Å; F231-M235 HydrophobicContact CE1-CB 3.7Å; F231-M235 HydrophobicContact CE1-CG 4.45Å; F231-M235 HydrophobicContact CE2-CB 4.08Å; F231-M235 HydrophobicContact CE2-CG 3.93Å; F231-M235 HydrophobicContact CG-CB 4.07Å; F231-M235 HydrophobicContact CG-CG 4.27Å; F231-M235 HydrophobicContact CZ-CB 3.83Å; F231-M235 HydrophobicContact CZ-CG 4.17Å; F231-M235 CarbonylContact O-C 3.25Å; F231-M235 WeakPolarHBondContact O-CA 3.47Å; F231-M235 VanDerWaalsContact O-CB 3.29Å; F231-M235 WeakPolarHBondContact O-CB 3.29Å; F231-M235 PolarHBondContact O-N 2.67Å; F231-T238 HydrophobicContact CE1-CG2 4.17Å; F231-T238 HydrophobicContact CZ-CG2 3.78Å; F231-Y239 HydrophobicContact CD1-CD2 4.23Å; F231-Y239 HydrophobicContact CE1-CD2 4.5Å; F231-I242 HydrophobicContact CE1-CD1 4.34Å; F231-I242 HydrophobicContact CZ-CD1 4.26Å; F231-V421 HydrophobicContact CE2-CG1 4.33Å; F231-V421 HydrophobicContact CZ-CG1 4.12Å; F231-F446 HydrophobicContact CB-CB 3.56Å; F231-F446 HydrophobicContact CB-CD1 4.38Å; F231-F446 HydrophobicContact CB-CD2 3.89Å; F231-F446 HydrophobicContact CB-CG 3.68Å; F231-F446 AromaticContact CD1-CD1 3.77Å; F231-F446 HydrophobicContact CD1-CD1 3.77Å; F231-F446 AromaticContact CD1-CD2 3.71Å; F231-F446 HydrophobicContact CD1-CD2 3.71Å; F231-F446 AromaticContact CD1-CE1 3.81Å; F231-F446 HydrophobicContact CD1-CE1 3.81Å; F231-F446 AromaticContact CD1-CE2 3.77Å; F231-F446 HydrophobicContact CD1-CE2 3.77Å; F231-F446 AromaticContact CD1-CG 3.71Å; F231-F446 HydrophobicContact CD1-CG 3.71Å; F231-F446 AromaticContact CD1-CZ 3.82Å; F231-F446 HydrophobicContact CD1-CZ 3.82Å; F231-F446 HydrophobicContact CD2-CB 3.91Å; F231-F446 AromaticContact CD2-CD1 3.58Å; F231-F446 HydrophobicContact CD2-CD1 3.58Å; F231-F446 HydrophobicContact CD2-CE1 4.25Å; F231-F446 AromaticContact CD2-CG 3.75Å; F231-F446 HydrophobicContact CD2-CG 3.75Å; F231-F446 AromaticContact CE1-CD1 3.86Å; F231-F446 HydrophobicContact CE1-CD1 3.86Å; F231-F446 HydrophobicContact CE1-CD2 4.4Å; F231-F446 AromaticContact CE1-CE1 3.53Å; F231-F446 HydrophobicContact CE1-CE1 3.53Å; F231-F446 HydrophobicContact CE1-CE2 4.13Å; F231-F446 HydrophobicContact CE1-CG 4.28Å; F231-F446 AromaticContact CE1-CZ 3.68Å; F231-F446 HydrophobicContact CE1-CZ 3.68Å; F231-F446 AromaticContact CE2-CD1 3.68Å; F231-F446 HydrophobicContact CE2-CD1 3.68Å; F231-F446 AromaticContact CE2-CE1 4Å; F231-F446 HydrophobicContact CE2-CE1 4Å; F231-F446 HydrophobicContact CE2-CG 4.31Å; F231-F446 HydrophobicContact CG-CB 3.75Å; F231-F446 AromaticContact CG-CD1 3.64Å; F231-F446 HydrophobicContact CG-CD1 3.64Å; F231-F446 AromaticContact CG-CD2 3.8Å; F231-F446 HydrophobicContact CG-CD2 3.8Å; F231-F446 HydrophobicContact CG-CE1 4.17Å; F231-F446 HydrophobicContact CG-CE2 4.33Å; F231-F446 AromaticContact CG-CG 3.42Å; F231-F446 HydrophobicContact CG-CG 3.42Å; F231-F446 VanDerWaalsContact CG-CG 3.42Å; F231-F446 HydrophobicContact CG-CZ 4.49Å; F231-F446 AromaticContact CZ-CD1 3.82Å; F231-F446 HydrophobicContact CZ-CD1 3.82Å; F231-F446 AromaticContact CZ-CE1 3.63Å; F231-F446 HydrophobicContact CZ-CE1 3.63Å; F231-F446 HydrophobicContact CZ-CZ 4.26Å
232	M	98	Very high	97.7	Very high	35 Å²	35	31 Å²	31	17%	0.172	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-32.1	175.7	-67.5	171.5	65.4	0	0	113.2	L99 R228 L229 Q230 R236 Y239	L99-M232 HydrophobicContact CD1-CB 3.8Å; L99-M232 HydrophobicContact CD2-CE 4.42Å; R228-M232 HydrophobicContact CG-SD 4.31Å; R228-M232 WeakPolarHBondContact O-CG 3.42Å; R228-M232 PolarHBondContact O-N 3.41Å; R228-M232 VanDerWaalsContact O-N 3.14Å; L229-M232 HydrophobicContact CD2-SD 3.93Å; L229-M232 CarbonylContact O-C 3.43Å; L229-M232 WeakPolarHBondContact O-CB 3.36Å; L229-M232 PolarHBondContact O-N 2.82Å; L229-M232 VanDerWaalsContact O-N 3.16Å; Q230-M232 VanDerWaalsContact C-N 3.33Å; Q230-M232 PolarHBondContact O-N 3.41Å; M232-R236 WeakPolarHBondContact O-CG 3.4Å; M232-Y239 HydrophobicContact CE-CE1 4.14Å; M232-Y239 HydrophobicContact CG-CD1 4.29Å; M232-Y239 HydrophobicContact CG-CD2 3.8Å; M232-Y239 HydrophobicContact CG-CE1 4.16Å; M232-Y239 HydrophobicContact CG-CE2 3.64Å; M232-Y239 HydrophobicContact CG-CG 4.12Å; M232-Y239 HydrophobicContact SD-CE2 4.17Å
233	R	96.5	Very high	97.7	Very high	30 Å²	30	32.9 Å²	32.9	11%	0.113	14%	0.142	C	C	.	.	H	α-helix	trans	-74.7	-41.6	177.4	-70.7	178.5	-161.4	105.7	2.1	112.8	H98 L99 L229 Q230 F231 R236 E441	H98-R233 PolarHBondContact O-NH2 3Å; L99-R233 HydrophobicContact CD1-CG 3.64Å; L99-R233 HydrophobicContact CG-CG 4.44Å; L99-R233 PolarHBondContact O-NE 2.61Å; L99-R233 PolarHBondContact O-NH2 2.81Å; L229-R233 WeakPolarHBondContact O-CG 3.43Å; L229-R233 PolarHBondContact O-N 3.37Å; Q230-R233 PolarHBondContact O-N 3.01Å; Q230-R233 VanDerWaalsContact O-N 3.15Å; F231-R233 VanDerWaalsContact C-N 3.29Å; F231-R233 PolarHBondContact O-N 3.17Å; R233-R236 WeakPolarHBondContact O-CG 3.2Å; R233-E441 IonicContact CZ-OE1 3.76Å; R233-E441 IonicContact CZ-OE2 2.88Å; R233-E441 IonicContact NH1-OE1 2.61Å; R233-E441 PolarHBondContact NH1-OE1 2.85Å; R233-E441 VanDerWaalsContact NH1-OE1 3.08Å; R233-E441 IonicContact NH1-OE2 3.99Å; R233-E441 PolarHBondContact NH1-OE2 2.91Å; R233-E441 IonicContact NH2-OE1 3.9Å; R233-E441 PolarHBondContact NH2-OE1 2.85Å; R233-E441 IonicContact NH2-OE2 3.78Å
234	K	96.8	Very high	97.7	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.087	16%	0.161	C	C	.	.	H	α-helix	trans	-108.4	-24.9	-167.6	-61.1	-59.8	-176.6	175.6	0	114.7	R109 Q230 F231 N392 L394 S395	R109-K234 PolarHBondContact O-NZ 3.34Å; Q230-K234 HydrophobicContact CG-CG 4.44Å; Q230-K234 VanDerWaalsContact NE2-CG 3.27Å; Q230-K234 PolarHBondContact O-N 3.13Å; F231-K234 PolarHBondContact O-N 3.36Å; K234-N392 VanDerWaalsContact CE-OD1 3.24Å; K234-N392 WeakPolarHBondContact CE-OD1 3.44Å; K234-N392 PolarHBondContact NZ-OD1 2.97Å; K234-L394 HydrophobicContact CB-CB 4.04Å; K234-L394 HydrophobicContact CB-CD2 3.95Å; K234-L394 HydrophobicContact CB-CG 4.04Å; K234-S395 WeakPolarHBondContact O-CA 3.33Å
235	M	98.1	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.177	C	C	.	.			trans	-108.9	51	177.8	-60	-63.6	-77	0	0	110.2	F223 F231 Q237 T238 Y239 L394 A397 D398 V401	F223-M235 HydrophobicContact CZ-CE 4.41Å; F231-M235 HydrophobicContact CD1-CB 3.83Å; F231-M235 HydrophobicContact CD2-CB 4.2Å; F231-M235 HydrophobicContact CD2-CG 3.99Å; F231-M235 HydrophobicContact CE1-CB 3.7Å; F231-M235 HydrophobicContact CE1-CG 4.45Å; F231-M235 HydrophobicContact CE2-CB 4.08Å; F231-M235 HydrophobicContact CE2-CG 3.93Å; F231-M235 HydrophobicContact CG-CB 4.07Å; F231-M235 HydrophobicContact CG-CG 4.27Å; F231-M235 HydrophobicContact CZ-CB 3.83Å; F231-M235 HydrophobicContact CZ-CG 4.17Å; F231-M235 CarbonylContact O-C 3.25Å; F231-M235 WeakPolarHBondContact O-CA 3.47Å; F231-M235 VanDerWaalsContact O-CB 3.29Å; F231-M235 WeakPolarHBondContact O-CB 3.29Å; F231-M235 PolarHBondContact O-N 2.67Å; M235-Q237 PolarHBondContact O-N 3.27Å; M235-T238 HydrophobicContact CE-CG2 4.33Å; M235-T238 PolarHBondContact O-N 3.01Å; M235-Y239 WeakPolarHBondContact O-CB 3.45Å; M235-Y239 PolarHBondContact O-N 3.22Å; M235-L394 HydrophobicContact CG-CD1 3.96Å; M235-L394 HydrophobicContact CG-CD2 3.85Å; M235-L394 HydrophobicContact CG-CG 3.7Å; M235-L394 HydrophobicContact SD-CD1 3.69Å; M235-L394 HydrophobicContact SD-CD2 4.5Å; M235-L394 HydrophobicContact SD-CG 3.7Å; M235-A397 HydrophobicContact CE-CB 4.37Å; M235-A397 HydrophobicContact SD-CB 4.42Å; M235-D398 VanDerWaalsContact C-CG 3.47Å; M235-D398 VanDerWaalsContact CA-CG 3.46Å; M235-D398 VanDerWaalsContact CA-OD1 3.3Å; M235-D398 WeakPolarHBondContact CA-OD1 3.24Å; M235-D398 HydrophobicContact CE-CB 4.44Å; M235-D398 VanDerWaalsContact SD-CA 3.58Å; M235-D398 HydrophobicContact SD-CB 3.86Å; M235-V401 HydrophobicContact CE-CB 3.7Å; M235-V401 HydrophobicContact CE-CG1 4.04Å; M235-V401 HydrophobicContact CE-CG2 3.73Å
236	R	97.9	Very high	98	Very high	185 Å²	185	38.7 Å²	38.7	70%	0.698	18%	0.177	S	C	*	.	H	α-helix	trans	-65.2	-43.7	-168.3	-68.7	177.3	69.4	152.2	1.5	112	M232 R233 K240 D398	M232-R236 WeakPolarHBondContact O-CG 3.4Å; R233-R236 WeakPolarHBondContact O-CG 3.2Å; R236-K240 WeakPolarHBondContact O-CB 3.24Å; R236-K240 PolarHBondContact O-N 2.8Å; R236-D398 PolarHBondContact N-OD1 3Å; R236-D398 PolarHBondContact N-OD2 3.5Å
237	Q	98.7	Very high	98	Very high	87 Å²	87	44 Å²	44	41%	0.407	20%	0.2	S	C	.	.	H	α-helix	trans	-69.5	-45.1	-179.2	-60.7	-170.8	81.6	0	0	110.4	M235 K240 Y241 D398 Q399 K402	M235-Q237 PolarHBondContact O-N 3.27Å; Q237-K240 PolarHBondContact O-N 2.91Å; Q237-Y241 WeakPolarHBondContact O-CB 3.46Å; Q237-Y241 PolarHBondContact O-N 2.77Å; Q237-D398 WeakPolarHBondContact CB-OD2 3.19Å; Q237-D398 WeakPolarHBondContact CG-OD2 3.43Å; Q237-D398 PolarHBondContact N-OD1 3.42Å; Q237-D398 PolarHBondContact N-OD2 3.13Å; Q237-Q399 VanDerWaalsContact OE1-OE1 3.09Å; Q237-K402 HydrophobicContact CB-CB 4.49Å
238	T	98.8	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-49.7	175.6	-63.8	0	0	0	0	111.3	F231 M235 K240 Y241 I242 D398 V401 K402 L405	F231-T238 HydrophobicContact CE1-CG2 4.17Å; F231-T238 HydrophobicContact CZ-CG2 3.78Å; M235-T238 HydrophobicContact CE-CG2 4.33Å; M235-T238 PolarHBondContact O-N 3.01Å; T238-K240 VanDerWaalsContact C-N 3.34Å; T238-K240 PolarHBondContact O-N 2.82Å; T238-Y241 PolarHBondContact O-N 2.87Å; T238-Y241 VanDerWaalsContact O-N 3.15Å; T238-I242 HydrophobicContact CG2-CD1 3.71Å; T238-I242 HydrophobicContact CG2-CG1 4.37Å; T238-I242 VanDerWaalsContact O-CG1 3.3Å; T238-I242 WeakPolarHBondContact O-CG1 3.27Å; T238-I242 PolarHBondContact O-N 3.04Å; T238-D398 VanDerWaalsContact CB-OD1 3.25Å; T238-D398 WeakPolarHBondContact CB-OD1 3.18Å; T238-D398 PolarHBondContact N-OD1 2.64Å; T238-D398 PolarHBondContact OG1-O 3.16Å; T238-D398 PolarHBondContact OG1-OD1 3.29Å; T238-V401 HydrophobicContact CG2-CB 4.43Å; T238-V401 HydrophobicContact CG2-CG1 3.63Å; T238-K402 PolarHBondContact OG1-N 3.26Å; T238-L405 HydrophobicContact CG2-CD1 4.13Å
239	Y	98.8	Very high	98.1	Very high	51 Å²	51	43.7 Å²	43.7	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-45.5	177.8	177.7	-99	0	0	0	111.8	F231 M232 M235 T243 V250 F446	F231-Y239 HydrophobicContact CD1-CD2 4.23Å; F231-Y239 HydrophobicContact CE1-CD2 4.5Å; M232-Y239 HydrophobicContact CE-CE1 4.14Å; M232-Y239 HydrophobicContact CG-CD1 4.29Å; M232-Y239 HydrophobicContact CG-CD2 3.8Å; M232-Y239 HydrophobicContact CG-CE1 4.16Å; M232-Y239 HydrophobicContact CG-CE2 3.64Å; M232-Y239 HydrophobicContact CG-CG 4.12Å; M232-Y239 HydrophobicContact SD-CE2 4.17Å; M235-Y239 WeakPolarHBondContact O-CB 3.45Å; M235-Y239 PolarHBondContact O-N 3.22Å; Y239-T243 HydrophobicContact CD2-CG2 4.28Å; Y239-T243 HydrophobicContact CE1-CG2 4.2Å; Y239-T243 HydrophobicContact CE2-CG2 3.86Å; Y239-T243 WeakPolarHBondContact O-CB 3.3Å; Y239-T243 WeakPolarHBondContact O-CG2 3.24Å; Y239-T243 PolarHBondContact O-N 3.3Å; Y239-T243 PolarHBondContact O-OG1 2.63Å; Y239-V250 HydrophobicContact CE2-CG2 4.09Å; Y239-F446 AromaticContact CD2-CE2 3.62Å; Y239-F446 HydrophobicContact CD2-CE2 3.62Å; Y239-F446 HydrophobicContact CD2-CZ 4.05Å; Y239-F446 AromaticContact CE2-CE2 3.78Å; Y239-F446 HydrophobicContact CE2-CE2 3.78Å; Y239-F446 HydrophobicContact CE2-CZ 4.48Å
240	K	98.8	Very high	98.1	Very high	143 Å²	143	44.1 Å²	44.1	62%	0.622	21%	0.206	S	C	*	.	H	α-helix	trans	-61.2	-45.1	175.4	-175.3	178.6	179	-177.3	0	110.8	R236 Q237 T238 T243 T244	R236-K240 WeakPolarHBondContact O-CB 3.24Å; R236-K240 PolarHBondContact O-N 2.8Å; Q237-K240 PolarHBondContact O-N 2.91Å; T238-K240 VanDerWaalsContact C-N 3.34Å; T238-K240 PolarHBondContact O-N 2.82Å; K240-T243 PolarHBondContact O-N 3.18Å; K240-T243 PolarHBondContact O-OG1 3.47Å; K240-T244 HydrophobicContact CG-CG2 4.11Å; K240-T244 VanDerWaalsContact O-CB 3.29Å; K240-T244 WeakPolarHBondContact O-CB 3.32Å; K240-T244 WeakPolarHBondContact O-CG2 3.23Å; K240-T244 PolarHBondContact O-N 3.11Å; K240-T244 PolarHBondContact O-OG1 3.15Å
241	Y	98.8	Very high	98.3	Very high	26 Å²	26	43.8 Å²	43.8	10%	0.102	21%	0.205	C	C	.	.	I	π-helix	trans	-62	-48.2	179.7	-169.7	-100.9	0	0	0	111.9	Q237 T238 T243 V245 L246 K402 L405 K406 Y409	Q237-Y241 WeakPolarHBondContact O-CB 3.46Å; Q237-Y241 PolarHBondContact O-N 2.77Å; T238-Y241 PolarHBondContact O-N 2.87Å; T238-Y241 VanDerWaalsContact O-N 3.15Å; Y241-T243 PolarHBondContact O-N 3.29Å; Y241-V245 HydrophobicContact CD2-CB 3.88Å; Y241-V245 HydrophobicContact CD2-CG1 4.32Å; Y241-V245 HydrophobicContact CD2-CG2 3.71Å; Y241-V245 HydrophobicContact CE2-CB 3.76Å; Y241-V245 HydrophobicContact CE2-CG1 3.68Å; Y241-V245 HydrophobicContact CE2-CG2 3.82Å; Y241-V245 HydrophobicContact CG-CB 4.37Å; Y241-V245 WeakPolarHBondContact O-CA 3.23Å; Y241-V245 WeakPolarHBondContact O-CB 3.09Å; Y241-V245 PolarHBondContact O-N 3.14Å; Y241-L246 HydrophobicContact CD1-CD1 3.94Å; Y241-L246 HydrophobicContact CD1-CD2 4.47Å; Y241-L246 HydrophobicContact CD1-CG 3.89Å; Y241-L246 HydrophobicContact CE1-CD1 3.83Å; Y241-L246 HydrophobicContact CE1-CD2 3.72Å; Y241-L246 HydrophobicContact CE1-CG 3.63Å; Y241-L246 PolarHBondContact O-N 3.14Å; Y241-K402 HydrophobicContact CD2-CG 4.44Å; Y241-K402 HydrophobicContact CG-CG 4.17Å; Y241-L405 HydrophobicContact CD1-CB 4.03Å; Y241-L405 HydrophobicContact CE1-CB 3.98Å; Y241-K406 HydrophobicContact CE1-CB 4.36Å; Y241-K406 HydrophobicContact CE2-CB 4.35Å; Y241-K406 WeakPolarHBondContact OH-CA 3.41Å; Y241-Y409 WeakPolarHBondContact OH-CD1 3.48Å
242	I	98.7	Very high	98.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-55.7	-52.6	176.4	-69.7	167.2	0	0	0	110.6	F231 T238 L246 K247 G248 L405 V421 F446 V450	F231-I242 HydrophobicContact CE1-CD1 4.34Å; F231-I242 HydrophobicContact CZ-CD1 4.26Å; T238-I242 HydrophobicContact CG2-CD1 3.71Å; T238-I242 HydrophobicContact CG2-CG1 4.37Å; T238-I242 VanDerWaalsContact O-CG1 3.3Å; T238-I242 WeakPolarHBondContact O-CG1 3.27Å; T238-I242 PolarHBondContact O-N 3.04Å; I242-L246 CarbonylContact O-C 3.59Å; I242-L246 WeakPolarHBondContact O-CB 3.31Å; I242-K247 PolarHBondContact O-N 3.29Å; I242-G248 PolarHBondContact O-N 3.07Å; I242-L405 HydrophobicContact CD1-CD1 4.03Å; I242-L405 HydrophobicContact CG1-CD1 3.74Å; I242-V421 HydrophobicContact CD1-CB 4.03Å; I242-V421 HydrophobicContact CD1-CG1 3.96Å; I242-V421 HydrophobicContact CD1-CG2 3.94Å; I242-F446 HydrophobicContact CD1-CE1 4.29Å; I242-F446 HydrophobicContact CD1-CZ 4.38Å; I242-V450 HydrophobicContact CG2-CG2 4.32Å
243	T	98.5	Very high	98.1	Very high	39 Å²	39	48.3 Å²	48.3	24%	0.239	22%	0.224	C	C	.	.	I	π-helix	trans	-76.5	-36.5	-172	53.5	0	0	0	0	113.3	Y239 K240 Y241 K247 V250	Y239-T243 HydrophobicContact CD2-CG2 4.28Å; Y239-T243 HydrophobicContact CE1-CG2 4.2Å; Y239-T243 HydrophobicContact CE2-CG2 3.86Å; Y239-T243 WeakPolarHBondContact O-CB 3.3Å; Y239-T243 WeakPolarHBondContact O-CG2 3.24Å; Y239-T243 PolarHBondContact O-N 3.3Å; Y239-T243 PolarHBondContact O-OG1 2.63Å; K240-T243 PolarHBondContact O-N 3.18Å; K240-T243 PolarHBondContact O-OG1 3.47Å; Y241-T243 PolarHBondContact O-N 3.29Å; T243-K247 WeakPolarHBondContact O-CA 3.34Å; T243-V250 HydrophobicContact CG2-CG2 3.95Å
244	T	98.4	Very high	98.2	Very high	65 Å²	65	47 Å²	47	40%	0.399	22%	0.219	S	C	.	.	I	π-helix	trans	-96.4	-39.7	-172.5	67	0	0	0	0	113.8	K240 K247	K240-T244 HydrophobicContact CG-CG2 4.11Å; K240-T244 VanDerWaalsContact O-CB 3.29Å; K240-T244 WeakPolarHBondContact O-CB 3.32Å; K240-T244 WeakPolarHBondContact O-CG2 3.23Å; K240-T244 PolarHBondContact O-N 3.11Å; K240-T244 PolarHBondContact O-OG1 3.15Å; T244-K247 WeakPolarHBondContact O-CD 3.23Å; T244-K247 WeakPolarHBondContact O-CE 3.38Å; T244-K247 PolarHBondContact O-NZ 2.87Å
245	V	98.1	Very high	98.2	Very high	61 Å²	61	46 Å²	46	37%	0.37	22%	0.215	S	C	.	.	I	π-helix	trans	-93.5	-57.3	-177.4	-178	0	0	0	0	109.8	Y241 K247 Y409	Y241-V245 HydrophobicContact CD2-CB 3.88Å; Y241-V245 HydrophobicContact CD2-CG1 4.32Å; Y241-V245 HydrophobicContact CD2-CG2 3.71Å; Y241-V245 HydrophobicContact CE2-CB 3.76Å; Y241-V245 HydrophobicContact CE2-CG1 3.68Å; Y241-V245 HydrophobicContact CE2-CG2 3.82Å; Y241-V245 HydrophobicContact CG-CB 4.37Å; Y241-V245 WeakPolarHBondContact O-CA 3.23Å; Y241-V245 WeakPolarHBondContact O-CB 3.09Å; Y241-V245 PolarHBondContact O-N 3.14Å; V245-K247 PolarHBondContact O-N 3.3Å; V245-Y409 HydrophobicContact CG1-CE1 4.35Å
246	L	98	Very high	98.2	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	22%	0.216	C	C	.	.	S	Bend	trans	-74.9	-10.5	-179.7	-55.5	-176.2	0	0	0	113.2	Y241 I242 G248 L405 Y409 L414 L419 V450	Y241-L246 HydrophobicContact CD1-CD1 3.94Å; Y241-L246 HydrophobicContact CD1-CD2 4.47Å; Y241-L246 HydrophobicContact CD1-CG 3.89Å; Y241-L246 HydrophobicContact CE1-CD1 3.83Å; Y241-L246 HydrophobicContact CE1-CD2 3.72Å; Y241-L246 HydrophobicContact CE1-CG 3.63Å; Y241-L246 PolarHBondContact O-N 3.14Å; I242-L246 CarbonylContact O-C 3.59Å; I242-L246 WeakPolarHBondContact O-CB 3.31Å; L246-G248 PolarHBondContact O-N 2.89Å; L246-L405 HydrophobicContact CD1-CB 4.31Å; L246-L405 HydrophobicContact CD1-CD1 4.4Å; L246-Y409 HydrophobicContact CD2-CD2 3.71Å; L246-Y409 HydrophobicContact CD2-CE2 4.38Å; L246-Y409 HydrophobicContact CD2-CG 3.94Å; L246-L414 HydrophobicContact CD1-CD1 4.06Å; L246-L414 HydrophobicContact CD2-CD1 3.7Å; L246-L419 HydrophobicContact CD1-CD2 4.31Å; L246-V450 HydrophobicContact CB-CG1 3.94Å; L246-V450 HydrophobicContact CB-CG2 3.98Å; L246-V450 HydrophobicContact CD1-CG2 4.33Å
247	K	97.7	Very high	97.9	Very high	113 Å²	113	38 Å²	38	49%	0.491	19%	0.186	S	C	.	.			trans	53.6	34.2	-177.3	-52.3	-60.4	-175	-168.7	0	112.5	I242 T243 T244 V245 R456	I242-K247 PolarHBondContact O-N 3.29Å; T243-K247 WeakPolarHBondContact O-CA 3.34Å; T244-K247 WeakPolarHBondContact O-CD 3.23Å; T244-K247 WeakPolarHBondContact O-CE 3.38Å; T244-K247 PolarHBondContact O-NZ 2.87Å; V245-K247 PolarHBondContact O-N 3.3Å; K247-R456 VanDerWaalsContact CB-NH2 3.29Å; K247-R456 PolarHBondContact O-NH2 2.79Å
248	G	98.4	Very high	97.5	Very high	10 Å²	10	34.2 Å²	34.2	10%	0.103	17%	0.17	C	C	.	.			trans	-60.7	141.1	178.5	0	0	0	0	0	112	I242 L246 V449	I242-G248 PolarHBondContact O-N 3.07Å; L246-G248 PolarHBondContact O-N 2.89Å; G248-V449 WeakPolarHBondContact CA-O 3.42Å
249	I	98.7	Very high	96.9	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.138	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.7	179.8	-64.7	156	0	0	0	107.5	S448 V449 L466 K467	I249-S448 CarbonylContact O-C 3.02Å; I249-S448 VanDerWaalsContact O-CA 3.26Å; I249-S448 WeakPolarHBondContact O-CA 3.49Å; I249-V449 PolarHBondContact N-O 3.21Å; I249-V449 PolarHBondContact O-N 2.75Å; I249-L466 HydrophobicContact CB-CG 4.34Å; I249-L466 HydrophobicContact CD1-CB 4.25Å; I249-L466 HydrophobicContact CD1-CD2 3.55Å; I249-L466 HydrophobicContact CD1-CG 3.6Å; I249-L466 HydrophobicContact CG2-CG 4.28Å; I249-K467 HydrophobicContact CD1-CB 4.49Å
250	V	98.7	Very high	96.5	Very high	15 Å²	15	33.1 Å²	33.1	9%	0.091	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.4	176.6	-179.4	0	0	0	0	109	Y239 T243 E252 F446 V447 G470	Y239-V250 HydrophobicContact CE2-CG2 4.09Å; T243-V250 HydrophobicContact CG2-CG2 3.95Å; V250-E252 HydrophobicContact CB-CG 4.48Å; V250-E252 HydrophobicContact CG1-CG 4.11Å; V250-E252 PolarHBondContact O-N 3.1Å; V250-F446 HydrophobicContact CG1-CE2 4.22Å; V250-F446 HydrophobicContact CG2-CE2 4.16Å; V250-F446 HydrophobicContact CG2-CZ 4.47Å; V250-V447 CarbonylContact C-O 3.58Å; V250-V447 WeakPolarHBondContact CA-O 3.28Å; V250-G470 WeakPolarHBondContact O-CA 3.48Å
251	L	98.5	Very high	96.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.146	C	C	.	.			trans	-86.4	86.9	173.1	-52.7	-173.7	0	0	0	108.7	K253 Y254 V447 L466 L479 L504	L251-K253 PolarHBondContact O-N 2.87Å; L251-Y254 HydrophobicContact CD1-CD2 3.92Å; L251-Y254 WeakPolarHBondContact O-CB 3.44Å; L251-Y254 PolarHBondContact O-N 3.26Å; L251-V447 HydrophobicContact CB-CB 4.22Å; L251-V447 HydrophobicContact CB-CG1 4.46Å; L251-V447 HydrophobicContact CD1-CB 4.28Å; L251-V447 HydrophobicContact CD1-CG1 3.67Å; L251-V447 HydrophobicContact CG-CB 4.37Å; L251-V447 HydrophobicContact CG-CG1 4.08Å; L251-V447 PolarHBondContact N-O 3.15Å; L251-L466 HydrophobicContact CD2-CD1 4.43Å; L251-L479 HydrophobicContact CD1-CD2 4.32Å; L251-L504 HydrophobicContact CD1-CD1 3.77Å; L251-L504 HydrophobicContact CD1-CD2 4.3Å; L251-L504 HydrophobicContact CD2-CD1 4.32Å; L251-L504 HydrophobicContact CD2-CD2 4.44Å
252	E	97.2	Very high	96.2	Very high	59 Å²	59	26.9 Å²	26.9	28%	0.276	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.9	-168.8	-64.5	-178.5	-177.8	0	0	113.9	R228 V250 N444 G470 K471	R228-E252 IonicContact NH2-OE1 3.87Å; V250-E252 HydrophobicContact CB-CG 4.48Å; V250-E252 HydrophobicContact CG1-CG 4.11Å; V250-E252 PolarHBondContact O-N 3.1Å; E252-N444 PolarHBondContact O-ND2 2.94Å; E252-N444 PolarHBondContact O-OD1 2.74Å; E252-G470 PolarHBondContact N-O 3.27Å; E252-K471 HydrophobicContact CG-CD 4.47Å; E252-K471 IonicContact OE1-NZ 2.71Å; E252-K471 PolarHBondContact OE1-NZ 2.8Å; E252-K471 VanDerWaalsContact OE2-CD 3.28Å; E252-K471 WeakPolarHBondContact OE2-CD 3.48Å; E252-K471 IonicContact OE2-NZ 3.79Å; E252-K471 PolarHBondContact OE2-NZ 2.89Å
253	K	96.3	Very high	96.1	Very high	71 Å²	71	28 Å²	28	31%	0.309	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	24.2	177.7	-55.9	-167.7	-179.1	-175.9	0	112.1	I94 L251 K471 R472 T474	I94-K253 HydrophobicContact CD1-CB 3.69Å; I94-K253 HydrophobicContact CD1-CD 3.89Å; I94-K253 HydrophobicContact CD1-CG 3.79Å; I94-K253 HydrophobicContact CG1-CD 4.46Å; L251-K253 PolarHBondContact O-N 2.87Å; K253-K471 WeakPolarHBondContact CD-O 3.31Å; K253-K471 WeakPolarHBondContact CE-O 3.28Å; K253-R472 WeakPolarHBondContact CB-O 3.42Å; K253-T474 PolarHBondContact O-N 2.95Å
254	Y	98.1	Very high	96	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-63.8	135.6	170.2	-173.7	-87.3	0	0	0	109.9	L251 N444 P445 V447 T474 T475 P476 L479	L251-Y254 HydrophobicContact CD1-CD2 3.92Å; L251-Y254 WeakPolarHBondContact O-CB 3.44Å; L251-Y254 PolarHBondContact O-N 3.26Å; Y254-N444 PolarHBondContact O-ND2 2.74Å; Y254-P445 HydrophobicContact CD1-CG 3.68Å; Y254-P445 HydrophobicContact CE1-CG 3.83Å; Y254-V447 HydrophobicContact CD1-CB 4.45Å; Y254-V447 HydrophobicContact CD1-CG2 3.38Å; Y254-V447 HydrophobicContact CD2-CB 4.31Å; Y254-V447 HydrophobicContact CD2-CG1 4.41Å; Y254-V447 HydrophobicContact CD2-CG2 3.89Å; Y254-V447 HydrophobicContact CE1-CG2 3.6Å; Y254-V447 HydrophobicContact CE2-CG2 4.1Å; Y254-V447 HydrophobicContact CG-CB 4.11Å; Y254-V447 HydrophobicContact CG-CG2 3.49Å; Y254-V447 VanDerWaalsContact CG-CG2 3.49Å; Y254-T474 CarbonylContact C-O 3.6Å; Y254-T474 WeakPolarHBondContact CA-O 3.29Å; Y254-T474 WeakPolarHBondContact CA-OG1 3.46Å; Y254-T475 VanDerWaalsContact CE2-C 3.4Å; Y254-T475 WeakPolarHBondContact CE2-O 3.41Å; Y254-P476 VanDerWaalsContact OH-CA 3.29Å; Y254-P476 WeakPolarHBondContact OH-CA 3.34Å; Y254-P476 VanDerWaalsContact OH-CD 3.23Å; Y254-P476 WeakPolarHBondContact OH-CD 3.2Å; Y254-P476 WeakPolarHBondContact OH-CG 3.44Å; Y254-L479 HydrophobicContact CE2-CD1 3.53Å; Y254-L479 HydrophobicContact CE2-CG 3.91Å; Y254-L479 WeakPolarHBondContact OH-CD1 3.25Å
255	N	97.5	Very high	96	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.124	C	C	.	.			trans	-131.2	145	-173	-162.9	82.2	0	0	0	112.1	L443 L473 T474 P476 I519 W523 P525	N255-L443 VanDerWaalsContact CA-O 3.3Å; N255-L443 WeakPolarHBondContact CA-O 3.42Å; N255-L443 PolarHBondContact OD1-O 2.9Å; N255-L473 HydrophobicContact CB-CD1 3.86Å; N255-T474 PolarHBondContact N-O 2.95Å; N255-P476 WeakPolarHBondContact O-CD 3.31Å; N255-I519 HydrophobicContact CB-CD1 4.21Å; N255-W523 PolarHBondContact ND2-O 3.09Å; N255-P525 HydrophobicContact CB-CG 4.31Å; N255-P525 WeakPolarHBondContact OD1-CB 3.48Å; N255-P525 VanDerWaalsContact OD1-CD 3.23Å; N255-P525 WeakPolarHBondContact OD1-CD 3.47Å; N255-P525 WeakPolarHBondContact OD1-CG 3.11Å
256	I	96.8	Very high	96	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	11%	0.107	C	C	.	.			trans	-68.4	163.4	173.2	71.3	179.2	0	0	0	111.8	D424 H425 E442 L443 P445 W523	I256-D424 WeakPolarHBondContact CG2-O 3.3Å; I256-H425 HydrophobicContact CD1-CB 4.48Å; I256-H425 HydrophobicContact CG2-CB 3.73Å; I256-E442 HydrophobicContact CD1-CG 4.37Å; I256-L443 HydrophobicContact CD1-CD2 3.72Å; I256-L443 HydrophobicContact CG1-CD2 4.01Å; I256-L443 PolarHBondContact N-O 3.13Å; I256-L443 VanDerWaalsContact N-O 3.08Å; I256-P445 HydrophobicContact CG2-CG 3.93Å; I256-W523 HydrophobicContact CD1-CD2 4.46Å; I256-W523 HydrophobicContact CD1-CE3 3.61Å; I256-W523 HydrophobicContact CD1-CZ3 3.88Å; I256-W523 HydrophobicContact CG1-CE3 4.14Å
257	L	93.4	Very high	96.1	Very high	11 Å²	11	19.7 Å²	19.7	6%	0.058	10%	0.104	C	C	.	.			trans	-109.6	-9.3	176.2	-66.6	167.9	0	0	0	112.9	P267 T475 P476 F477 I519 E520	L257-P267 HydrophobicContact CD1-CB 3.7Å; L257-P267 HydrophobicContact CD1-CG 3.81Å; L257-T475 HydrophobicContact CD2-CG2 4.03Å; L257-P476 HydrophobicContact CD1-CB 3.82Å; L257-P476 HydrophobicContact CD1-CG 3.74Å; L257-P476 HydrophobicContact CG-CG 4.12Å; L257-F477 HydrophobicContact CD1-CD2 3.63Å; L257-F477 HydrophobicContact CD1-CE1 4.45Å; L257-F477 HydrophobicContact CD1-CE2 3.42Å; L257-F477 VanDerWaalsContact CD1-CE2 3.42Å; L257-F477 HydrophobicContact CD1-CG 4.24Å; L257-F477 HydrophobicContact CD1-CZ 3.86Å; L257-F477 HydrophobicContact CD2-CD2 4.05Å; L257-F477 HydrophobicContact CD2-CE2 3.84Å; L257-F477 HydrophobicContact CG-CE2 4.27Å; L257-I519 HydrophobicContact CD2-CG1 4Å; L257-E520 VanDerWaalsContact O-OE2 3.14Å
258	G	90	Very high	96.1	Very high	8 Å²	8	14.4 Å²	14.4	8%	0.082	8%	0.081	C	C	.	.	S	Bend	trans	179.9	-179.5	-172.6	0	0	0	0	0	114.2	G260 A263	G258-G260 PolarHBondContact O-N 2.99Å; G258-A263 VanDerWaalsContact CA-CB 3.46Å
259	D	86.5	Confident	96.1	Very high	27 Å²	27	13.9 Å²	13.9	14%	0.144	8%	0.076	C	C	.	.	S	Bend	trans	-74.7	88.7	-177.5	-171.9	24.9	0	0	0	111.2	R428 W523 K661	D259-R428 PolarHBondContact O-NH2 3.05Å; D259-R428 IonicContact OD1-CZ 2.68Å; D259-R428 IonicContact OD1-NE 3.39Å; D259-R428 PolarHBondContact OD1-NE 3.22Å; D259-R428 IonicContact OD1-NH2 3.35Å; D259-R428 PolarHBondContact OD1-NH2 3.47Å; D259-R428 IonicContact OD2-NH2 3.09Å; D259-R428 PolarHBondContact OD2-NH2 3.05Å; D259-W523 HydrophobicContact CB-CH2 3.65Å; D259-W523 HydrophobicContact CB-CZ2 3.58Å; D259-W523 VanDerWaalsContact N-CZ2 3.31Å; D259-K661 IonicContact OD2-NZ 2.82Å; D259-K661 PolarHBondContact OD2-NZ 2.75Å
260	G	90.4	Very high	96.1	Very high	2 Å²	2	13 Å²	13	2%	0.021	7%	0.072	C	C	.	.	S	Bend	trans	110	-178.5	166.2	0	0	0	0	0	117.5	G258 T262 A263 A264 H425	G258-G260 PolarHBondContact O-N 2.99Å; G260-T262 PolarHBondContact O-N 2.83Å; G260-A263 WeakPolarHBondContact O-CB 3.42Å; G260-A263 PolarHBondContact O-N 3.02Å; G260-A264 PolarHBondContact O-N 2.76Å; G260-H425 WeakPolarHBondContact CA-CD2 3.42Å; G260-H425 VanDerWaalsContact CA-NE2 3.33Å; G260-H425 WeakPolarHBondContact CA-NE2 3.41Å
261	T	95.5	Very high	96.1	Very high	22 Å²	22	13 Å²	13	14%	0.135	8%	0.076	C	C	.	.	H	α-helix	trans	-54.4	-44.7	-173.9	-47.4	0	0	0	0	113.7	A263 A264 I265 T318 F382 D424 H425	T261-A263 VanDerWaalsContact C-N 3.25Å; T261-A263 PolarHBondContact O-N 2.87Å; T261-A264 PolarHBondContact O-N 2.77Å; T261-I265 HydrophobicContact CG2-CB 4.5Å; T261-I265 HydrophobicContact CG2-CG1 3.69Å; T261-I265 WeakPolarHBondContact O-CB 3.24Å; T261-I265 WeakPolarHBondContact O-CG1 3.46Å; T261-I265 PolarHBondContact O-N 3.14Å; T261-T318 HydrophobicContact CG2-CG2 4.01Å; T261-T318 WeakPolarHBondContact CG2-OG1 3.46Å; T261-F382 HydrophobicContact CG2-CE1 3.6Å; T261-F382 HydrophobicContact CG2-CE2 4.19Å; T261-F382 HydrophobicContact CG2-CZ 3.34Å; T261-D424 VanDerWaalsContact CA-OD2 3.3Å; T261-D424 WeakPolarHBondContact CA-OD2 3.43Å; T261-D424 VanDerWaalsContact CB-OD2 3.24Å; T261-D424 WeakPolarHBondContact CB-OD2 3.26Å; T261-D424 HydrophobicContact CG2-CB 4.39Å; T261-D424 WeakPolarHBondContact CG2-OD2 3.38Å; T261-D424 PolarHBondContact OG1-OD2 3.05Å; T261-H425 PolarHBondContact N-CD2 2.97Å; T261-H425 PolarHBondContact N-NE2 3.45Å
262	T	95.7	Very high	96.1	Very high	15 Å²	15	16.9 Å²	16.9	9%	0.092	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-33.8	179.5	51.3	0	0	0	0	112.6	G260 A264 I266 T318 R322	G260-T262 PolarHBondContact O-N 2.83Å; T262-A264 VanDerWaalsContact C-N 3.27Å; T262-A264 PolarHBondContact O-N 2.93Å; T262-I266 HydrophobicContact CG2-CD1 4.24Å; T262-I266 VanDerWaalsContact O-CB 3.22Å; T262-I266 WeakPolarHBondContact O-CB 3.39Å; T262-I266 WeakPolarHBondContact O-CG1 3.36Å; T262-I266 PolarHBondContact O-N 3.32Å; T262-I266 VanDerWaalsContact O-N 3.09Å; T262-T318 HydrophobicContact CG2-CG2 4.28Å; T262-T318 VanDerWaalsContact CG2-O 3.3Å; T262-T318 WeakPolarHBondContact CG2-O 3.29Å; T262-R322 PolarHBondContact OG1-NH2 3.11Å
263	A	94.9	Very high	96	Very high	23 Å²	23	15.2 Å²	15.2	19%	0.19	9%	0.086	C	C	.	.	H	α-helix	trans	-72.6	-19.5	177.5	0	0	0	0	0	113.1	G258 G260 T261 P267	G258-A263 VanDerWaalsContact CA-CB 3.46Å; G260-A263 WeakPolarHBondContact O-CB 3.42Å; G260-A263 PolarHBondContact O-N 3.02Å; T261-A263 VanDerWaalsContact C-N 3.25Å; T261-A263 PolarHBondContact O-N 2.87Å; A263-P267 WeakPolarHBondContact O-CD 3.39Å; A263-P267 VanDerWaalsContact O-CG 3.28Å; A263-P267 WeakPolarHBondContact O-CG 3.14Å
264	A	97.9	Very high	95.8	Very high	2 Å²	2	14 Å²	14	2%	0.017	8%	0.082	C	C	.	.	H	α-helix	trans	-92.6	-49.3	173.1	0	0	0	0	0	111.9	G260 T261 T262 L268 D424 P476	G260-A264 PolarHBondContact O-N 2.76Å; T261-A264 PolarHBondContact O-N 2.77Å; T262-A264 VanDerWaalsContact C-N 3.27Å; T262-A264 PolarHBondContact O-N 2.93Å; A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 3.05Å; A264-D424 HydrophobicContact CB-CB 3.74Å; A264-D424 VanDerWaalsContact CB-O 3.31Å; A264-D424 WeakPolarHBondContact CB-O 3.09Å; A264-P476 WeakPolarHBondContact O-CB 3.4Å
265	I	98.5	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-80	-36.7	-168	-60.3	-48.4	0	0	0	112.4	T261 L268 L269 T318 F319 F380 F382 D424	T261-I265 HydrophobicContact CG2-CB 4.5Å; T261-I265 HydrophobicContact CG2-CG1 3.69Å; T261-I265 WeakPolarHBondContact O-CB 3.24Å; T261-I265 WeakPolarHBondContact O-CG1 3.46Å; T261-I265 PolarHBondContact O-N 3.14Å; I265-L268 HydrophobicContact CD1-CD2 4.15Å; I265-L268 PolarHBondContact O-N 3.1Å; I265-L269 HydrophobicContact CG2-CD1 3.48Å; I265-L269 VanDerWaalsContact CG2-CD1 3.48Å; I265-L269 HydrophobicContact CG2-CG 4.22Å; I265-L269 WeakPolarHBondContact O-CB 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.47Å; I265-L269 PolarHBondContact O-N 3.14Å; I265-T318 HydrophobicContact CB-CG2 4.03Å; I265-T318 HydrophobicContact CG2-CG2 3.97Å; I265-F319 HydrophobicContact CG2-CE2 4.41Å; I265-F319 HydrophobicContact CG2-CZ 4.03Å; I265-F380 HydrophobicContact CD1-CE2 4.44Å; I265-F380 HydrophobicContact CD1-CZ 3.82Å; I265-F380 HydrophobicContact CG1-CZ 4.36Å; I265-F380 HydrophobicContact CG2-CE1 3.8Å; I265-F380 HydrophobicContact CG2-CZ 3.86Å; I265-F382 HydrophobicContact CD1-CD2 4.18Å; I265-F382 HydrophobicContact CD1-CE2 3.81Å; I265-F382 HydrophobicContact CG1-CD2 4.43Å; I265-F382 HydrophobicContact CG1-CE2 3.98Å; I265-F382 HydrophobicContact CG1-CZ 4.4Å; I265-D424 HydrophobicContact CD1-CB 4.37Å; I265-D424 HydrophobicContact CG1-CB 4.49Å
266	I	98.6	Very high	95.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-51	176.8	-62.8	172.1	0	0	0	110.4	T262 L268 L269 T270 K272 E274 L277 Y293 F319 L323	T262-I266 HydrophobicContact CG2-CD1 4.24Å; T262-I266 VanDerWaalsContact O-CB 3.22Å; T262-I266 WeakPolarHBondContact O-CB 3.39Å; T262-I266 WeakPolarHBondContact O-CG1 3.36Å; T262-I266 PolarHBondContact O-N 3.32Å; T262-I266 VanDerWaalsContact O-N 3.09Å; I266-L268 VanDerWaalsContact C-N 3.34Å; I266-L268 PolarHBondContact O-N 2.88Å; I266-L269 PolarHBondContact O-N 2.75Å; I266-T270 HydrophobicContact CG2-CG2 4.31Å; I266-T270 WeakPolarHBondContact O-CB 3.38Å; I266-T270 WeakPolarHBondContact O-CG2 3.26Å; I266-T270 PolarHBondContact O-N 3.23Å; I266-T270 PolarHBondContact O-OG1 2.81Å; I266-K272 CarbonylContact C-O 3.48Å; I266-K272 WeakPolarHBondContact CG2-O 3.48Å; I266-E274 HydrophobicContact CD1-CB 3.98Å; I266-E274 HydrophobicContact CD1-CG 4.19Å; I266-L277 HydrophobicContact CG2-CD1 3.4Å; I266-Y293 HydrophobicContact CD1-CE2 4.21Å; I266-F319 HydrophobicContact CG1-CE1 3.94Å; I266-L323 HydrophobicContact CD1-CD1 4.2Å
267	P	98.6	Very high	95.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-38.2	175.5	-30.9	41.5	0	0	0	114.3	L257 A263 L269 G271 K272 P476 F477 H480	L257-P267 HydrophobicContact CD1-CB 3.7Å; L257-P267 HydrophobicContact CD1-CG 3.81Å; A263-P267 WeakPolarHBondContact O-CD 3.39Å; A263-P267 VanDerWaalsContact O-CG 3.28Å; A263-P267 WeakPolarHBondContact O-CG 3.14Å; P267-L269 VanDerWaalsContact C-N 3.33Å; P267-L269 PolarHBondContact O-N 2.99Å; P267-G271 VanDerWaalsContact O-CA 3.3Å; P267-G271 WeakPolarHBondContact O-CA 3.14Å; P267-G271 PolarHBondContact O-N 2.96Å; P267-K272 WeakPolarHBondContact CA-O 3.3Å; P267-K272 WeakPolarHBondContact CG-O 3.44Å; P267-P476 HydrophobicContact CB-CB 3.75Å; P267-F477 HydrophobicContact CB-CD1 3.92Å; P267-F477 HydrophobicContact CB-CE1 3.67Å; P267-F477 HydrophobicContact CB-CZ 4.18Å; P267-F477 HydrophobicContact CG-CE1 4.28Å; P267-F477 HydrophobicContact CG-CZ 4.43Å; P267-H480 WeakPolarHBondContact O-CB 3.45Å
268	L	98.7	Very high	95.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-43.9	175.6	171.3	66.1	0	0	0	111.9	I220 A264 I265 I266 M422 P476 L479 H480 L483	I220-L268 HydrophobicContact CD1-CD2 4.5Å; A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 3.05Å; I265-L268 HydrophobicContact CD1-CD2 4.15Å; I265-L268 PolarHBondContact O-N 3.1Å; I266-L268 VanDerWaalsContact C-N 3.34Å; I266-L268 PolarHBondContact O-N 2.88Å; L268-M422 HydrophobicContact CD2-CE 4.01Å; L268-M422 HydrophobicContact CD2-SD 3.64Å; L268-P476 HydrophobicContact CB-CB 4.39Å; L268-L479 HydrophobicContact CD1-CB 3.51Å; L268-L479 HydrophobicContact CD1-CD1 3.97Å; L268-L479 HydrophobicContact CD1-CG 4.4Å; L268-H480 WeakPolarHBondContact O-CB 3.36Å; L268-H480 PolarHBondContact O-ND1 2.76Å; L268-L483 HydrophobicContact CD1-CD1 4.27Å
269	L	98.7	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-93.3	-16.4	-171.9	-62.2	169.9	0	0	0	113.7	I265 I266 P267 F295 I296 W297 F319 F378 F380	I265-L269 HydrophobicContact CG2-CD1 3.48Å; I265-L269 VanDerWaalsContact CG2-CD1 3.48Å; I265-L269 HydrophobicContact CG2-CG 4.22Å; I265-L269 WeakPolarHBondContact O-CB 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.47Å; I265-L269 PolarHBondContact O-N 3.14Å; I266-L269 PolarHBondContact O-N 2.75Å; P267-L269 VanDerWaalsContact C-N 3.33Å; P267-L269 PolarHBondContact O-N 2.99Å; L269-F295 HydrophobicContact CB-CD1 3.89Å; L269-F295 HydrophobicContact CB-CE1 4.44Å; L269-F295 HydrophobicContact CD1-CD1 4.38Å; L269-F295 HydrophobicContact CD1-CE1 4.43Å; L269-F295 CarbonylContact O-C 3.54Å; L269-F295 WeakPolarHBondContact O-CA 3.4Å; L269-I296 HydrophobicContact CD2-CG2 4.21Å; L269-I296 PolarHBondContact O-N 2.85Å; L269-W297 HydrophobicContact CB-CZ3 4.44Å; L269-W297 HydrophobicContact CD1-CE3 4.42Å; L269-W297 HydrophobicContact CD1-CH2 3.83Å; L269-W297 HydrophobicContact CD1-CZ3 3.42Å; L269-W297 VanDerWaalsContact CD1-CZ3 3.42Å; L269-W297 HydrophobicContact CD2-CE3 4.06Å; L269-W297 HydrophobicContact CD2-CZ3 3.81Å; L269-W297 HydrophobicContact CG-CZ3 4.09Å; L269-F319 HydrophobicContact CD1-CE2 4.47Å; L269-F319 HydrophobicContact CD1-CZ 4.01Å; L269-F378 HydrophobicContact CD2-CZ 4.22Å; L269-F380 HydrophobicContact CD1-CD1 4.03Å; L269-F380 HydrophobicContact CD1-CE1 3.8Å; L269-F380 HydrophobicContact CD2-CD1 4.17Å; L269-F380 HydrophobicContact CD2-CE1 4.49Å; L269-F380 HydrophobicContact CD2-CG 4.5Å
270	T	98.6	Very high	95.9	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.043	16%	0.155	C	C	.	.	H	α-helix	trans	-128.9	-11	-173	71.9	0	0	0	0	114.7	I266 K272 L277 F295	I266-T270 HydrophobicContact CG2-CG2 4.31Å; I266-T270 WeakPolarHBondContact O-CB 3.38Å; I266-T270 WeakPolarHBondContact O-CG2 3.26Å; I266-T270 PolarHBondContact O-N 3.23Å; I266-T270 PolarHBondContact O-OG1 2.81Å; T270-K272 PolarHBondContact O-N 2.92Å; T270-K272 PolarHBondContact OG1-N 2.92Å; T270-K272 PolarHBondContact OG1-O 2.9Å; T270-L277 HydrophobicContact CG2-CD1 4.46Å; T270-F295 HydrophobicContact CG2-CD1 3.78Å; T270-F295 HydrophobicContact CG2-CE1 4.03Å; T270-F295 HydrophobicContact CG2-CG 4.44Å
271	G	98.2	Very high	95.9	Very high	17 Å²	17	29.1 Å²	29.1	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	70.4	7.9	-174.4	0	0	0	0	0	114.2	P267 F477 H480 R500	P267-G271 VanDerWaalsContact O-CA 3.3Å; P267-G271 WeakPolarHBondContact O-CA 3.14Å; P267-G271 PolarHBondContact O-N 2.96Å; G271-F477 WeakPolarHBondContact O-CD1 3.24Å; G271-F477 WeakPolarHBondContact O-CE1 3.5Å; G271-H480 WeakPolarHBondContact CA-CD2 3.46Å; G271-H480 PolarHBondContact N-CD2 2.78Å; G271-H480 PolarHBondContact N-CE1 2.9Å; G271-H480 VanDerWaalsContact N-CE1 3.32Å; G271-H480 PolarHBondContact N-ND1 3.38Å; G271-H480 PolarHBondContact N-NE2 2.84Å; G271-R500 PolarHBondContact O-NH2 2.94Å
272	K	98	Very high	95.5	Very high	82 Å²	82	32.2 Å²	32.2	36%	0.357	18%	0.175	S	C	.	.	S	Bend	trans	-132.9	152.9	-174.2	-69	175.1	176.8	-73.5	0	111.2	I266 P267 T270 E276 L277 P294	I266-K272 CarbonylContact C-O 3.48Å; I266-K272 WeakPolarHBondContact CG2-O 3.48Å; P267-K272 WeakPolarHBondContact CA-O 3.3Å; P267-K272 WeakPolarHBondContact CG-O 3.44Å; T270-K272 PolarHBondContact O-N 2.92Å; T270-K272 PolarHBondContact OG1-N 2.92Å; T270-K272 PolarHBondContact OG1-O 2.9Å; K272-E276 HydrophobicContact CB-CB 4.14Å; K272-E276 HydrophobicContact CG-CB 4.48Å; K272-L277 HydrophobicContact CB-CD1 4.23Å; K272-L277 HydrophobicContact CB-CD2 4.05Å; K272-L277 HydrophobicContact CB-CG 3.95Å; K272-L277 HydrophobicContact CD-CD2 3.61Å; K272-L277 HydrophobicContact CD-CG 4.32Å; K272-L277 HydrophobicContact CG-CD2 4.48Å; K272-P294 HydrophobicContact CD-CG 4.35Å
273	T	94.8	Very high	94.8	Very high	23 Å²	23	33.1 Å²	33.1	14%	0.141	19%	0.187	C	C	.	.			trans	-76.3	161.5	167.6	62.4	0	0	0	0	111.1	L275 E276 L277 F477	T273-L275 PolarHBondContact O-N 3.41Å; T273-E276 WeakPolarHBondContact CB-OE2 3.44Å; T273-E276 WeakPolarHBondContact CG2-OE2 3.39Å; T273-E276 PolarHBondContact N-OE2 3.21Å; T273-E276 PolarHBondContact O-N 2.77Å; T273-E276 VanDerWaalsContact O-N 3.11Å; T273-E276 WeakPolarHBondContact OG1-CG 3.34Å; T273-E276 PolarHBondContact OG1-N 3.16Å; T273-E276 PolarHBondContact OG1-OE2 2.92Å; T273-L277 WeakPolarHBondContact O-CG 3.45Å; T273-F477 HydrophobicContact CG2-CZ 3.77Å
274	E	92.5	Very high	94.4	Very high	47 Å²	47	35 Å²	35	22%	0.22	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-53.4	-35.2	172.9	-172	176.8	144.8	0	0	111.7	I266 L277 R322	I266-E274 HydrophobicContact CD1-CB 3.98Å; I266-E274 HydrophobicContact CD1-CG 4.19Å; E274-L277 PolarHBondContact O-N 3.31Å; E274-R322 IonicContact OE1-CZ 3.95Å; E274-R322 IonicContact OE1-NH1 2.91Å; E274-R322 PolarHBondContact OE1-NH1 3.17Å; E274-R322 IonicContact OE1-NH2 2.68Å; E274-R322 IonicContact OE2-CZ 3.69Å; E274-R322 IonicContact OE2-NH1 2.91Å; E274-R322 IonicContact OE2-NH2 3.2Å; E274-R322 PolarHBondContact OE2-NH2 3.23Å
275	L	88.8	Confident	93.7	Very high	97 Å²	97	43.2 Å²	43.2	51%	0.508	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-74.3	-22.8	-178.4	-65.6	176.5	0	0	0	114.1	P76 T273 L277	P76-L275 HydrophobicContact CB-CB 4.2Å; P76-L275 HydrophobicContact CB-CD2 4.33Å; P76-L275 HydrophobicContact CG-CD2 4.22Å; T273-L275 PolarHBondContact O-N 3.41Å; L275-L277 VanDerWaalsContact C-N 3.3Å
276	E	93.5	Very high	93.2	Very high	76 Å²	76	50.7 Å²	50.7	36%	0.355	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-87.8	-2.5	176.2	-70.9	168.7	104.3	0	0	112.7	K272 T273 R500	K272-E276 HydrophobicContact CB-CB 4.14Å; K272-E276 HydrophobicContact CG-CB 4.48Å; T273-E276 WeakPolarHBondContact CB-OE2 3.44Å; T273-E276 WeakPolarHBondContact CG2-OE2 3.39Å; T273-E276 PolarHBondContact N-OE2 3.21Å; T273-E276 PolarHBondContact O-N 2.77Å; T273-E276 VanDerWaalsContact O-N 3.11Å; T273-E276 WeakPolarHBondContact OG1-CG 3.34Å; T273-E276 PolarHBondContact OG1-N 3.16Å; T273-E276 PolarHBondContact OG1-OE2 2.92Å; E276-R500 VanDerWaalsContact CD-NH1 3.32Å; E276-R500 IonicContact OE1-CZ 3.5Å; E276-R500 VanDerWaalsContact OE1-CZ 3.31Å; E276-R500 IonicContact OE1-NH1 3.13Å; E276-R500 PolarHBondContact OE1-NH1 2.85Å; E276-R500 IonicContact OE1-NH2 3.73Å; E276-R500 PolarHBondContact OE1-NH2 3.44Å; E276-R500 IonicContact OE2-CZ 2.8Å; E276-R500 IonicContact OE2-NH1 2.92Å; E276-R500 PolarHBondContact OE2-NH1 2.82Å; E276-R500 IonicContact OE2-NH2 3.66Å; E276-R500 PolarHBondContact OE2-NH2 3.48Å
277	L	96	Very high	93	Very high	18 Å²	18	51 Å²	51	9%	0.094	28%	0.277	C	S	.	.	S	Bend	trans	-111	162.3	-175.6	-68.7	169.3	0	0	0	110.8	I266 T270 K272 T273 E274 L275 Y293 P294	I266-L277 HydrophobicContact CG2-CD1 3.4Å; T270-L277 HydrophobicContact CG2-CD1 4.46Å; K272-L277 HydrophobicContact CB-CD1 4.23Å; K272-L277 HydrophobicContact CB-CD2 4.05Å; K272-L277 HydrophobicContact CB-CG 3.95Å; K272-L277 HydrophobicContact CD-CD2 3.61Å; K272-L277 HydrophobicContact CD-CG 4.32Å; K272-L277 HydrophobicContact CG-CD2 4.48Å; T273-L277 WeakPolarHBondContact O-CG 3.45Å; E274-L277 PolarHBondContact O-N 3.31Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L277-Y293 HydrophobicContact CB-CD1 3.94Å; L277-Y293 HydrophobicContact CB-CE1 3.53Å; L277-Y293 HydrophobicContact CD1-CD1 3.94Å; L277-Y293 HydrophobicContact CD1-CD2 3.98Å; L277-Y293 HydrophobicContact CD1-CE1 3.98Å; L277-Y293 HydrophobicContact CD1-CE2 4.01Å; L277-Y293 HydrophobicContact CD1-CG 3.93Å; L277-Y293 HydrophobicContact CD2-CD1 4.19Å; L277-Y293 HydrophobicContact CG-CD1 4.26Å; L277-Y293 HydrophobicContact CG-CE1 4.26Å; L277-P294 VanDerWaalsContact CD2-CD 3.48Å; L277-P294 HydrophobicContact CD2-CG 4.13Å
278	P	96	Very high	92.9	Very high	62 Å²	62	53.1 Å²	53.1	40%	0.403	29%	0.292	S	S	.	.			trans	-54.5	146.5	172.5	-25.5	35.1	0	0	0	112	T280 V292 Y293	P278-T280 PolarHBondContact O-N 3.35Å; P278-V292 HydrophobicContact CB-CG2 3.77Å; P278-V292 HydrophobicContact CG-CB 4.47Å; P278-V292 HydrophobicContact CG-CG2 3.83Å; P278-Y293 WeakPolarHBondContact O-CE1 3.35Å; P278-Y293 PolarHBondContact O-OH 3.18Å
279	V	94.1	Very high	92.8	Very high	79 Å²	79	56.7 Å²	56.7	48%	0.479	31%	0.306	S	S	.	.			trans	-68.1	127.1	180	-176.8	0	0	0	0	109.9	L281 V284 A287 S288	V279-L281 HydrophobicContact CG1-CB 4.3Å; V279-L281 HydrophobicContact CG1-CD1 4.31Å; V279-L281 HydrophobicContact CG1-CG 4.39Å; V279-V284 HydrophobicContact CG1-CB 4.01Å; V279-V284 HydrophobicContact CG1-CG1 3.9Å; V279-V284 HydrophobicContact CG1-CG2 4.06Å; V279-A287 HydrophobicContact CG1-CB 4.29Å; V279-A287 CarbonylContact O-C 3.58Å; V279-A287 WeakPolarHBondContact O-CA 3.46Å; V279-A287 WeakPolarHBondContact O-CB 3.41Å; V279-S288 PolarHBondContact O-N 3.38Å
280	T	95.2	Very high	92.8	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	31%	0.306	C	S	.	.			trans	-127.3	15.7	-179.7	63	0	0	0	0	113.2	P278 S288 V290 V292 Y293 L323 K324	P278-T280 PolarHBondContact O-N 3.35Å; T280-S288 VanDerWaalsContact CA-O 3.23Å; T280-S288 WeakPolarHBondContact CA-O 3.31Å; T280-S288 VanDerWaalsContact CB-O 3.3Å; T280-S288 WeakPolarHBondContact CB-O 3.44Å; T280-S288 WeakPolarHBondContact CG2-O 3.26Å; T280-V290 HydrophobicContact CG2-CG1 4.06Å; T280-V292 HydrophobicContact CG2-CG2 4.31Å; T280-Y293 HydrophobicContact CG2-CD1 4.4Å; T280-Y293 HydrophobicContact CG2-CE1 3.52Å; T280-Y293 PolarHBondContact OG1-OH 3Å; T280-L323 CarbonylContact O-C 3.11Å; T280-L323 VanDerWaalsContact O-CA 3.25Å; T280-L323 WeakPolarHBondContact O-CA 3.09Å; T280-K324 WeakPolarHBondContact O-CG 3.27Å; T280-K324 PolarHBondContact O-N 2.76Å
281	L	91.1	Very high	92.7	Very high	36 Å²	36	57.8 Å²	57.8	19%	0.188	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-68.9	138.9	179.6	-67.8	165.9	0	0	0	111.6	V279 G283 V284 A287 R322 L323	V279-L281 HydrophobicContact CG1-CB 4.3Å; V279-L281 HydrophobicContact CG1-CD1 4.31Å; V279-L281 HydrophobicContact CG1-CG 4.39Å; L281-G283 VanDerWaalsContact C-N 3.29Å; L281-G283 PolarHBondContact O-N 3.47Å; L281-V284 HydrophobicContact CB-CB 4.42Å; L281-V284 HydrophobicContact CB-CG2 3.93Å; L281-V284 HydrophobicContact CD1-CG2 4.22Å; L281-V284 PolarHBondContact O-N 3.26Å; L281-A287 VanDerWaalsContact O-CB 3.29Å; L281-A287 WeakPolarHBondContact O-CB 3.43Å; L281-R322 HydrophobicContact CD2-CB 4.33Å; L281-L323 HydrophobicContact CD2-CD2 3.81Å; L281-L323 HydrophobicContact CG-CD2 4.42Å
282	K	87	Confident	92.7	Very high	87 Å²	87	60.3 Å²	60.3	38%	0.378	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.1	-179.1	-72	176.8	179.6	167.2	0	114.5	T320 Y321 R322 L323 K324	K282-T320 WeakPolarHBondContact CE-O 3.39Å; K282-T320 PolarHBondContact NZ-O 3.04Å; K282-Y321 PolarHBondContact NZ-O 2.85Å; K282-R322 PolarHBondContact N-O 3.26Å; K282-R322 VanDerWaalsContact N-O 3.1Å; K282-L323 WeakPolarHBondContact CE-O 3.4Å; K282-K324 HydrophobicContact CG-CG 4.19Å
283	G	81.2	Confident	92.8	Very high	35 Å²	35	56.5 Å²	56.5	36%	0.361	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7	-176	0	0	0	0	0	115.2	L281 I655	L281-G283 VanDerWaalsContact C-N 3.29Å; L281-G283 PolarHBondContact O-N 3.47Å; G283-I655 VanDerWaalsContact CA-O 3.24Å; G283-I655 WeakPolarHBondContact CA-O 2.99Å
284	V	85.6	Confident	92.9	Very high	62 Å²	62	58.3 Å²	58.3	38%	0.376	32%	0.319	S	S	.	.	S	Bend	trans	-104.6	121.3	179.2	175.6	0	0	0	0	109.3	V279 L281 A287	V279-V284 HydrophobicContact CG1-CB 4.01Å; V279-V284 HydrophobicContact CG1-CG1 3.9Å; V279-V284 HydrophobicContact CG1-CG2 4.06Å; L281-V284 HydrophobicContact CB-CB 4.42Å; L281-V284 HydrophobicContact CB-CG2 3.93Å; L281-V284 HydrophobicContact CD1-CG2 4.22Å; L281-V284 PolarHBondContact O-N 3.26Å; V284-A287 HydrophobicContact CB-CB 4.03Å; V284-A287 HydrophobicContact CG1-CB 4.3Å; V284-A287 VanDerWaalsContact O-CB 3.25Å; V284-A287 WeakPolarHBondContact O-CB 3.48Å; V284-A287 PolarHBondContact O-N 3.28Å
285	E	84.2	Confident	93.2	Very high	174 Å²	174	56.2 Å²	56.2	81%	0.813	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	136.2	171.8	-163.1	169.2	-169.9	0	0	109.2	A287	E285-A287 PolarHBondContact O-N 2.92Å
286	D	88.5	Confident	93.7	Very high	157 Å²	157	51.7 Å²	51.7	84%	0.84	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	9.4	-174.8	-53.3	-41.2	0	0	0	117.6	S288	D286-S288 PolarHBondContact O-N 2.56Å
287	A	92.7	Very high	93.9	Very high	8 Å²	8	48.2 Å²	48.2	7%	0.066	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-60.2	139.9	173.2	0	0	0	0	0	112.1	V279 L281 V284 E285 K324	V279-A287 HydrophobicContact CG1-CB 4.29Å; V279-A287 CarbonylContact O-C 3.58Å; V279-A287 WeakPolarHBondContact O-CA 3.46Å; V279-A287 WeakPolarHBondContact O-CB 3.41Å; L281-A287 VanDerWaalsContact O-CB 3.29Å; L281-A287 WeakPolarHBondContact O-CB 3.43Å; V284-A287 HydrophobicContact CB-CB 4.03Å; V284-A287 HydrophobicContact CG1-CB 4.3Å; V284-A287 VanDerWaalsContact O-CB 3.25Å; V284-A287 WeakPolarHBondContact O-CB 3.48Å; V284-A287 PolarHBondContact O-N 3.28Å; E285-A287 PolarHBondContact O-N 2.92Å; A287-K324 HydrophobicContact CB-CD 3.87Å; A287-K324 WeakPolarHBondContact O-CD 3.37Å; A287-K324 PolarHBondContact O-NZ 2.98Å
288	S	96.5	Very high	93.9	Very high	45 Å²	45	50 Å²	50	32%	0.315	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-77.2	163.4	176.5	-69.4	0	0	0	0	111.9	V279 T280 D286	V279-S288 PolarHBondContact O-N 3.38Å; T280-S288 VanDerWaalsContact CA-O 3.23Å; T280-S288 WeakPolarHBondContact CA-O 3.31Å; T280-S288 VanDerWaalsContact CB-O 3.3Å; T280-S288 WeakPolarHBondContact CB-O 3.44Å; T280-S288 WeakPolarHBondContact CG2-O 3.26Å; D286-S288 PolarHBondContact O-N 2.56Å
289	Y	97.3	Very high	93.9	Very high	76 Å²	76	50.9 Å²	50.9	30%	0.298	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74.6	159.1	161.8	-68.8	-95.1	0	0	0	109.6	D291 V292 K324 G325 K327	Y289-D291 VanDerWaalsContact CB-OD2 3.32Å; Y289-D291 WeakPolarHBondContact CB-OD2 3.49Å; Y289-D291 PolarHBondContact O-N 3.28Å; Y289-V292 WeakPolarHBondContact O-CG2 3.47Å; Y289-V292 PolarHBondContact O-N 2.72Å; Y289-K324 HydrophobicContact CD1-CB 4.04Å; Y289-K324 VanDerWaalsContact CD1-O 3.25Å; Y289-K324 WeakPolarHBondContact CD1-O 3.39Å; Y289-K324 HydrophobicContact CE1-CB 4.43Å; Y289-K324 HydrophobicContact CG-CB 4.48Å; Y289-G325 WeakPolarHBondContact CB-O 3.36Å; Y289-G325 WeakPolarHBondContact CD1-O 3.5Å; Y289-K327 HydrophobicContact CD1-CB 3.82Å; Y289-K327 HydrophobicContact CD1-CD 4.33Å; Y289-K327 HydrophobicContact CD2-CB 3.98Å; Y289-K327 HydrophobicContact CD2-CD 4.48Å; Y289-K327 HydrophobicContact CD2-CG 4.34Å; Y289-K327 HydrophobicContact CE1-CB 4.23Å; Y289-K327 HydrophobicContact CE1-CD 3.86Å; Y289-K327 HydrophobicContact CE2-CB 4.38Å; Y289-K327 HydrophobicContact CE2-CD 4.04Å; Y289-K327 HydrophobicContact CE2-CG 4.31Å; Y289-K327 HydrophobicContact CG-CB 3.68Å; Y289-K327 HydrophobicContact CG-CG 4.48Å
290	V	97.9	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-66.3	-9.5	-178.3	-62.3	0	0	0	0	113.3	T280 V292 Y293 F295 F319 L323 G325 F326	T280-V290 HydrophobicContact CG2-CG1 4.06Å; V290-V292 PolarHBondContact O-N 2.74Å; V290-Y293 HydrophobicContact CB-CD2 4.09Å; V290-Y293 HydrophobicContact CB-CE2 4.2Å; V290-Y293 HydrophobicContact CG1-CD2 4.35Å; V290-Y293 HydrophobicContact CG1-CE2 3.94Å; V290-Y293 WeakPolarHBondContact O-CB 3.16Å; V290-Y293 PolarHBondContact O-N 2.75Å; V290-F295 HydrophobicContact CB-CZ 4.43Å; V290-F295 VanDerWaalsContact O-CE2 3.27Å; V290-F295 WeakPolarHBondContact O-CE2 3.29Å; V290-F319 HydrophobicContact CB-CD1 4.47Å; V290-F319 HydrophobicContact CG1-CB 4.4Å; V290-F319 HydrophobicContact CG1-CD1 4.24Å; V290-F319 HydrophobicContact CG2-CB 4Å; V290-F319 HydrophobicContact CG2-CD1 4.36Å; V290-F319 HydrophobicContact CG2-CG 4.33Å; V290-L323 HydrophobicContact CG1-CB 3.94Å; V290-L323 HydrophobicContact CG1-CD1 3.9Å; V290-G325 VanDerWaalsContact CG2-C 3.45Å; V290-G325 VanDerWaalsContact CG2-O 3.31Å; V290-G325 WeakPolarHBondContact CG2-O 3.19Å; V290-G325 PolarHBondContact N-O 2.82Å; V290-F326 HydrophobicContact CB-CE1 4.49Å; V290-F326 HydrophobicContact CG2-CD1 3.55Å; V290-F326 HydrophobicContact CG2-CD2 3.87Å; V290-F326 HydrophobicContact CG2-CE1 3.5Å; V290-F326 VanDerWaalsContact CG2-CE1 3.5Å; V290-F326 HydrophobicContact CG2-CE2 3.81Å; V290-F326 HydrophobicContact CG2-CG 3.74Å; V290-F326 HydrophobicContact CG2-CZ 3.62Å
291	D	98.3	Very high	94	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.16	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-46.6	-27.7	169.9	-62.4	-125.2	0	0	0	114.5	Y289 Y293 F326 K327 R328	Y289-D291 VanDerWaalsContact CB-OD2 3.32Å; Y289-D291 WeakPolarHBondContact CB-OD2 3.49Å; Y289-D291 PolarHBondContact O-N 3.28Å; D291-Y293 PolarHBondContact O-N 3.23Å; D291-F326 WeakPolarHBondContact OD2-CA 3.36Å; D291-K327 PolarHBondContact OD2-N 2.92Å; D291-R328 WeakPolarHBondContact OD1-CB 3.43Å; D291-R328 IonicContact OD1-CZ 2.69Å; D291-R328 PolarHBondContact OD1-N 3.01Å; D291-R328 VanDerWaalsContact OD1-N 3.08Å; D291-R328 IonicContact OD1-NE 3.15Å; D291-R328 PolarHBondContact OD1-NE 3.46Å; D291-R328 IonicContact OD1-NH2 3.31Å
292	V	98.1	Very high	94.1	Very high	70 Å²	70	54.5 Å²	54.5	42%	0.424	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-76.4	-9.8	180	-57.7	0	0	0	0	113.5	P278 T280 Y289 V290	P278-V292 HydrophobicContact CB-CG2 3.77Å; P278-V292 HydrophobicContact CG-CB 4.47Å; P278-V292 HydrophobicContact CG-CG2 3.83Å; T280-V292 HydrophobicContact CG2-CG2 4.31Å; Y289-V292 WeakPolarHBondContact O-CG2 3.47Å; Y289-V292 PolarHBondContact O-N 2.72Å; V290-V292 PolarHBondContact O-N 2.74Å
293	Y	98.6	Very high	94.3	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.012	28%	0.278	C	S	.	.	S	Bend	trans	-74.3	142.3	179.8	-68.2	-3	0	0	0	111.3	I266 L277 P278 T280 V290 D291 F295	I266-Y293 HydrophobicContact CD1-CE2 4.21Å; L277-Y293 HydrophobicContact CB-CD1 3.94Å; L277-Y293 HydrophobicContact CB-CE1 3.53Å; L277-Y293 HydrophobicContact CD1-CD1 3.94Å; L277-Y293 HydrophobicContact CD1-CD2 3.98Å; L277-Y293 HydrophobicContact CD1-CE1 3.98Å; L277-Y293 HydrophobicContact CD1-CE2 4.01Å; L277-Y293 HydrophobicContact CD1-CG 3.93Å; L277-Y293 HydrophobicContact CD2-CD1 4.19Å; L277-Y293 HydrophobicContact CG-CD1 4.26Å; L277-Y293 HydrophobicContact CG-CE1 4.26Å; P278-Y293 WeakPolarHBondContact O-CE1 3.35Å; P278-Y293 PolarHBondContact O-OH 3.18Å; T280-Y293 HydrophobicContact CG2-CD1 4.4Å; T280-Y293 HydrophobicContact CG2-CE1 3.52Å; T280-Y293 PolarHBondContact OG1-OH 3Å; V290-Y293 HydrophobicContact CB-CD2 4.09Å; V290-Y293 HydrophobicContact CB-CE2 4.2Å; V290-Y293 HydrophobicContact CG1-CD2 4.35Å; V290-Y293 HydrophobicContact CG1-CE2 3.94Å; V290-Y293 WeakPolarHBondContact O-CB 3.16Å; V290-Y293 PolarHBondContact O-N 2.75Å; D291-Y293 PolarHBondContact O-N 3.23Å; Y293-F295 HydrophobicContact CD2-CE1 4.32Å; Y293-F295 HydrophobicContact CD2-CE2 4.36Å; Y293-F295 AromaticContact CD2-CZ 3.79Å; Y293-F295 HydrophobicContact CD2-CZ 3.79Å; Y293-F295 HydrophobicContact CG-CE2 4.36Å; Y293-F295 HydrophobicContact CG-CZ 4.22Å; Y293-F295 WeakPolarHBondContact O-CD2 3.5Å; Y293-F295 PolarHBondContact O-N 2.77Å
294	P	98.1	Very high	95	Very high	61 Å²	61	50.8 Å²	50.8	40%	0.396	26%	0.261	S	S	.	.			trans	-81	64.7	-178.7	35	-35.5	0	0	0	110.7	K272 L277	K272-P294 HydrophobicContact CD-CG 4.35Å; L277-P294 VanDerWaalsContact CD2-CD 3.48Å; L277-P294 HydrophobicContact CD2-CG 4.13Å
295	F	98.7	Very high	95.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	25%	0.245	C	C	.	.			trans	-64.7	135.4	-178.8	-65.4	-72.9	0	0	0	112.3	L269 T270 V290 Y293 W297 N298 F319 F326	L269-F295 HydrophobicContact CB-CD1 3.89Å; L269-F295 HydrophobicContact CB-CE1 4.44Å; L269-F295 HydrophobicContact CD1-CD1 4.38Å; L269-F295 HydrophobicContact CD1-CE1 4.43Å; L269-F295 CarbonylContact O-C 3.54Å; L269-F295 WeakPolarHBondContact O-CA 3.4Å; T270-F295 HydrophobicContact CG2-CD1 3.78Å; T270-F295 HydrophobicContact CG2-CE1 4.03Å; T270-F295 HydrophobicContact CG2-CG 4.44Å; V290-F295 HydrophobicContact CB-CZ 4.43Å; V290-F295 VanDerWaalsContact O-CE2 3.27Å; V290-F295 WeakPolarHBondContact O-CE2 3.29Å; Y293-F295 HydrophobicContact CD2-CE1 4.32Å; Y293-F295 HydrophobicContact CD2-CE2 4.36Å; Y293-F295 AromaticContact CD2-CZ 3.79Å; Y293-F295 HydrophobicContact CD2-CZ 3.79Å; Y293-F295 HydrophobicContact CG-CE2 4.36Å; Y293-F295 HydrophobicContact CG-CZ 4.22Å; Y293-F295 WeakPolarHBondContact O-CD2 3.5Å; Y293-F295 PolarHBondContact O-N 2.77Å; F295-W297 HydrophobicContact CB-CD2 3.63Å; F295-W297 HydrophobicContact CB-CE3 4.28Å; F295-W297 HydrophobicContact CB-CG 4.02Å; F295-W297 HydrophobicContact CB-CH2 4.26Å; F295-W297 HydrophobicContact CB-CZ2 3.59Å; F295-W297 AromaticContact CD1-CE2 3.94Å; F295-W297 AromaticContact CD1-CH2 3.39Å; F295-W297 HydrophobicContact CD1-CH2 3.39Å; F295-W297 AromaticContact CD1-CZ2 3.33Å; F295-W297 HydrophobicContact CD1-CZ2 3.33Å; F295-W297 HydrophobicContact CD1-CZ3 4.04Å; F295-W297 AromaticContact CD2-CE2 3.85Å; F295-W297 HydrophobicContact CD2-CH2 4.34Å; F295-W297 AromaticContact CD2-CZ2 3.47Å; F295-W297 HydrophobicContact CD2-CZ2 3.47Å; F295-W297 VanDerWaalsContact CD2-CZ2 3.47Å; F295-W297 AromaticContact CD2-NE1 3.99Å; F295-W297 AromaticContact CE1-CH2 3.64Å; F295-W297 HydrophobicContact CE1-CH2 3.64Å; F295-W297 AromaticContact CE1-CZ2 3.75Å; F295-W297 HydrophobicContact CE1-CZ2 3.75Å; F295-W297 AromaticContact CE2-CZ2 3.85Å; F295-W297 HydrophobicContact CE2-CZ2 3.85Å; F295-W297 HydrophobicContact CG-CD2 4.19Å; F295-W297 AromaticContact CG-CE2 3.43Å; F295-W297 VanDerWaalsContact CG-CE2 3.43Å; F295-W297 AromaticContact CG-CH2 3.77Å; F295-W297 HydrophobicContact CG-CH2 3.77Å; F295-W297 AromaticContact CG-CZ2 3.17Å; F295-W297 HydrophobicContact CG-CZ2 3.17Å; F295-W297 HydrophobicContact CG-CZ3 4.48Å; F295-W297 AromaticContact CG-NE1 3.84Å; F295-W297 HydrophobicContact CZ-CH2 4.22Å; F295-W297 AromaticContact CZ-CZ2 3.98Å; F295-W297 HydrophobicContact CZ-CZ2 3.98Å; F295-W297 PolarHBondContact O-N 2.86Å; F295-W297 VanDerWaalsContact O-N 3.15Å; F295-N298 VanDerWaalsContact O-CB 3.27Å; F295-N298 WeakPolarHBondContact O-CB 3.27Å; F295-N298 PolarHBondContact O-N 3.08Å; F295-F319 AromaticContact CE1-CE1 3.8Å; F295-F319 HydrophobicContact CE1-CE1 3.8Å; F295-F319 AromaticContact CE1-CZ 3.71Å; F295-F319 HydrophobicContact CE1-CZ 3.71Å; F295-F319 HydrophobicContact CZ-CD1 4.37Å; F295-F319 AromaticContact CZ-CE1 3.88Å; F295-F319 HydrophobicContact CZ-CE1 3.88Å; F295-F319 HydrophobicContact CZ-CZ 4.11Å; F295-F326 HydrophobicContact CD2-CE1 4.16Å; F295-F326 HydrophobicContact CE1-CZ 4.44Å; F295-F326 AromaticContact CE2-CE1 3.38Å; F295-F326 HydrophobicContact CE2-CE1 3.38Å; F295-F326 AromaticContact CE2-CZ 3.67Å; F295-F326 HydrophobicContact CE2-CZ 3.67Å; F295-F326 AromaticContact CZ-CE1 3.83Å; F295-F326 HydrophobicContact CZ-CE1 3.83Å; F295-F326 AromaticContact CZ-CZ 3.61Å; F295-F326 HydrophobicContact CZ-CZ 3.61Å
296	I	98.3	Very high	96.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-30.9	-179.2	-171.2	59.1	0	0	0	113	L269 N298 E299 L300 F378 L483 E484 L487	L269-I296 HydrophobicContact CD2-CG2 4.21Å; L269-I296 PolarHBondContact O-N 2.85Å; I296-N298 PolarHBondContact O-N 2.89Å; I296-E299 PolarHBondContact O-N 3.15Å; I296-L300 HydrophobicContact CG1-CD1 4.03Å; I296-L300 HydrophobicContact CG1-CG 4.5Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 3.42Å; I296-F378 HydrophobicContact CG2-CE2 4.16Å; I296-F378 HydrophobicContact CG2-CZ 4.15Å; I296-L483 HydrophobicContact CG1-CB 4.22Å; I296-L483 HydrophobicContact CG2-CD1 4.36Å; I296-E484 HydrophobicContact CD1-CG 3.88Å; I296-L487 HydrophobicContact CD1-CD1 4.08Å
297	W	97.9	Very high	96.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-25.2	175.6	58.1	68.1	0	0	0	112.8	L269 F295 K301 T307 Y309 F326 P330 T331 F378 F380	L269-W297 HydrophobicContact CB-CZ3 4.44Å; L269-W297 HydrophobicContact CD1-CE3 4.42Å; L269-W297 HydrophobicContact CD1-CH2 3.83Å; L269-W297 HydrophobicContact CD1-CZ3 3.42Å; L269-W297 VanDerWaalsContact CD1-CZ3 3.42Å; L269-W297 HydrophobicContact CD2-CE3 4.06Å; L269-W297 HydrophobicContact CD2-CZ3 3.81Å; L269-W297 HydrophobicContact CG-CZ3 4.09Å; F295-W297 HydrophobicContact CB-CD2 3.63Å; F295-W297 HydrophobicContact CB-CE3 4.28Å; F295-W297 HydrophobicContact CB-CG 4.02Å; F295-W297 HydrophobicContact CB-CH2 4.26Å; F295-W297 HydrophobicContact CB-CZ2 3.59Å; F295-W297 AromaticContact CD1-CE2 3.94Å; F295-W297 AromaticContact CD1-CH2 3.39Å; F295-W297 HydrophobicContact CD1-CH2 3.39Å; F295-W297 AromaticContact CD1-CZ2 3.33Å; F295-W297 HydrophobicContact CD1-CZ2 3.33Å; F295-W297 HydrophobicContact CD1-CZ3 4.04Å; F295-W297 AromaticContact CD2-CE2 3.85Å; F295-W297 HydrophobicContact CD2-CH2 4.34Å; F295-W297 AromaticContact CD2-CZ2 3.47Å; F295-W297 HydrophobicContact CD2-CZ2 3.47Å; F295-W297 VanDerWaalsContact CD2-CZ2 3.47Å; F295-W297 AromaticContact CD2-NE1 3.99Å; F295-W297 AromaticContact CE1-CH2 3.64Å; F295-W297 HydrophobicContact CE1-CH2 3.64Å; F295-W297 AromaticContact CE1-CZ2 3.75Å; F295-W297 HydrophobicContact CE1-CZ2 3.75Å; F295-W297 AromaticContact CE2-CZ2 3.85Å; F295-W297 HydrophobicContact CE2-CZ2 3.85Å; F295-W297 HydrophobicContact CG-CD2 4.19Å; F295-W297 AromaticContact CG-CE2 3.43Å; F295-W297 VanDerWaalsContact CG-CE2 3.43Å; F295-W297 AromaticContact CG-CH2 3.77Å; F295-W297 HydrophobicContact CG-CH2 3.77Å; F295-W297 AromaticContact CG-CZ2 3.17Å; F295-W297 HydrophobicContact CG-CZ2 3.17Å; F295-W297 HydrophobicContact CG-CZ3 4.48Å; F295-W297 AromaticContact CG-NE1 3.84Å; F295-W297 HydrophobicContact CZ-CH2 4.22Å; F295-W297 AromaticContact CZ-CZ2 3.98Å; F295-W297 HydrophobicContact CZ-CZ2 3.98Å; F295-W297 PolarHBondContact O-N 2.86Å; F295-W297 VanDerWaalsContact O-N 3.15Å; W297-K301 WeakPolarHBondContact O-CB 3.22Å; W297-K301 PolarHBondContact O-N 3Å; W297-T307 HydrophobicContact CB-CG2 4.29Å; W297-Y309 HydrophobicContact CH2-CD1 4.46Å; W297-F326 HydrophobicContact CH2-CZ 4.22Å; W297-F326 HydrophobicContact CZ2-CE1 4.19Å; W297-F326 AromaticContact CZ2-CZ 3.84Å; W297-F326 HydrophobicContact CZ2-CZ 3.84Å; W297-P330 HydrophobicContact CZ2-CB 4Å; W297-P330 PolarHBondContact NE1-O 3.02Å; W297-T331 HydrophobicContact CB-CG2 4.33Å; W297-T331 HydrophobicContact CD2-CG2 4.07Å; W297-T331 HydrophobicContact CG-CG2 3.95Å; W297-F378 HydrophobicContact CB-CD1 3.75Å; W297-F378 HydrophobicContact CB-CE1 3.78Å; W297-F378 HydrophobicContact CB-CG 4.48Å; W297-F378 AromaticContact CE3-CE1 3.83Å; W297-F378 HydrophobicContact CE3-CE1 3.83Å; W297-F378 HydrophobicContact CE3-CZ 4.27Å; W297-F380 HydrophobicContact CZ3-CD1 4.43Å
298	N	97.6	Very high	97	Very high	56 Å²	56	32 Å²	32	30%	0.299	16%	0.163	S	C	.	.	H	α-helix	trans	-69	-41.1	174.5	-67.1	-32.4	0	0	0	110.7	F295 I296 K301 K302	F295-N298 VanDerWaalsContact O-CB 3.27Å; F295-N298 WeakPolarHBondContact O-CB 3.27Å; F295-N298 PolarHBondContact O-N 3.08Å; I296-N298 PolarHBondContact O-N 2.89Å; N298-K301 PolarHBondContact O-N 2.88Å; N298-K302 WeakPolarHBondContact O-CG 3.4Å; N298-K302 PolarHBondContact O-N 2.84Å; N298-K302 VanDerWaalsContact O-N 3.09Å
299	E	95.2	Very high	97.1	Very high	80 Å²	80	29.9 Å²	29.9	37%	0.374	15%	0.148	S	C	.	.	H	α-helix	trans	-67.8	-40.9	175.5	-59.7	-48.6	125.9	0	0	111.6	I296 K302 L303 L487	I296-E299 PolarHBondContact O-N 3.15Å; E299-K302 VanDerWaalsContact CD-NZ 3.28Å; E299-K302 WeakPolarHBondContact O-CB 3.48Å; E299-K302 PolarHBondContact O-N 3.45Å; E299-K302 IonicContact OE1-NZ 3.17Å; E299-K302 PolarHBondContact OE1-NZ 3.27Å; E299-K302 IonicContact OE2-NZ 2.77Å; E299-K302 PolarHBondContact OE2-NZ 2.93Å; E299-K302 VanDerWaalsContact OE2-NZ 3.09Å; E299-L303 PolarHBondContact O-N 2.89Å; E299-L487 HydrophobicContact CB-CD1 4.05Å
300	L	95.6	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-40.9	174.8	-69.3	162.1	0	0	0	111.9	L218 I296 K302 L303 G304 Y305 F378 L487	L218-L300 HydrophobicContact CD1-CD1 3.71Å; L218-L300 HydrophobicContact CD1-CD2 3.92Å; L218-L300 HydrophobicContact CD1-CG 4.5Å; I296-L300 HydrophobicContact CG1-CD1 4.03Å; I296-L300 HydrophobicContact CG1-CG 4.5Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 3.42Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.89Å; L300-L303 WeakPolarHBondContact O-CA 3.47Å; L300-L303 WeakPolarHBondContact O-CB 3.36Å; L300-L303 PolarHBondContact O-N 2.97Å; L300-G304 PolarHBondContact O-N 3.5Å; L300-Y305 HydrophobicContact CB-CD1 4.29Å; L300-Y305 HydrophobicContact CB-CD2 4.23Å; L300-Y305 HydrophobicContact CB-CG 3.96Å; L300-Y305 HydrophobicContact CD2-CD1 4Å; L300-Y305 HydrophobicContact CD2-CD2 4.13Å; L300-Y305 HydrophobicContact CD2-CE1 3.75Å; L300-Y305 HydrophobicContact CD2-CE2 3.89Å; L300-Y305 HydrophobicContact CD2-CG 4.19Å; L300-Y305 WeakPolarHBondContact O-CB 3.24Å; L300-Y305 VanDerWaalsContact O-CD2 3.27Å; L300-Y305 WeakPolarHBondContact O-CD2 3.37Å; L300-Y305 PolarHBondContact O-N 3.07Å; L300-Y305 VanDerWaalsContact O-N 3.13Å; L300-F378 HydrophobicContact CD1-CB 3.95Å; L300-F378 HydrophobicContact CD1-CD2 3.31Å; L300-F378 HydrophobicContact CD1-CE2 3.99Å; L300-F378 HydrophobicContact CD1-CG 3.74Å; L300-L487 HydrophobicContact CD2-CD2 3.42Å; L300-L487 VanDerWaalsContact CD2-CD2 3.42Å; L300-L487 HydrophobicContact CG-CD2 4.19Å
301	K	95.6	Very high	97.1	Very high	69 Å²	69	26.4 Å²	26.4	30%	0.3	13%	0.134	S	C	.	.	H	α-helix	trans	-61.1	-40.5	176.1	179.6	159	176.4	163.7	0	111.7	W297 N298 L303 G304 T307 D332	W297-K301 WeakPolarHBondContact O-CB 3.22Å; W297-K301 PolarHBondContact O-N 3Å; N298-K301 PolarHBondContact O-N 2.88Å; K301-L303 PolarHBondContact O-N 2.79Å; K301-G304 PolarHBondContact O-N 2.8Å; K301-T307 HydrophobicContact CB-CG2 4Å; K301-D332 VanDerWaalsContact CE-OD1 3.31Å; K301-D332 WeakPolarHBondContact CE-OD1 3.4Å; K301-D332 IonicContact NZ-OD1 2.8Å; K301-D332 PolarHBondContact NZ-OD1 3.37Å
302	K	93.4	Very high	97.1	Very high	125 Å²	125	25 Å²	25	54%	0.543	13%	0.126	S	C	.	.	H	α-helix	trans	-59.1	-30.7	173	-70.5	168.9	-170.4	168.8	0	112.6	Y208 N298 E299 L300 G304	Y208-K302 WeakPolarHBondContact CD2-O 3.28Å; N298-K302 WeakPolarHBondContact O-CG 3.4Å; N298-K302 PolarHBondContact O-N 2.84Å; N298-K302 VanDerWaalsContact O-N 3.09Å; E299-K302 VanDerWaalsContact CD-NZ 3.28Å; E299-K302 WeakPolarHBondContact O-CB 3.48Å; E299-K302 PolarHBondContact O-N 3.45Å; E299-K302 IonicContact OE1-NZ 3.17Å; E299-K302 PolarHBondContact OE1-NZ 3.27Å; E299-K302 IonicContact OE2-NZ 2.77Å; E299-K302 PolarHBondContact OE2-NZ 2.93Å; E299-K302 VanDerWaalsContact OE2-NZ 3.09Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.89Å; K302-G304 VanDerWaalsContact C-N 3.27Å; K302-G304 PolarHBondContact O-N 3.4Å
303	L	92.1	Very high	96.9	Very high	43 Å²	43	21.8 Å²	21.8	23%	0.225	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	0.6	176.1	-64.2	175.7	0	0	0	114	Y208 E299 L300 K301 Y305 L487	Y208-L303 PolarHBondContact N-O 3.16Å; E299-L303 PolarHBondContact O-N 2.89Å; L300-L303 WeakPolarHBondContact O-CA 3.47Å; L300-L303 WeakPolarHBondContact O-CB 3.36Å; L300-L303 PolarHBondContact O-N 2.97Å; K301-L303 PolarHBondContact O-N 2.79Å; L303-Y305 HydrophobicContact CB-CD2 4.17Å; L303-Y305 HydrophobicContact CB-CE2 4.3Å; L303-L487 HydrophobicContact CD1-CD2 3.53Å
304	G	94.5	Very high	96.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	14.6	177.6	0	0	0	0	0	114.7	L300 K301 K302	L300-G304 PolarHBondContact O-N 3.5Å; K301-G304 PolarHBondContact O-N 2.8Å; K302-G304 VanDerWaalsContact C-N 3.27Å; K302-G304 PolarHBondContact O-N 3.4Å
305	Y	96.8	Very high	96.2	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.027	12%	0.119	C	C	.	.			trans	-68.1	142.5	173.5	-76.7	-123.4	0	0	0	110.2	R205 V216 L300 L303 L376 F378	R205-Y305 PolarHBondContact NH1-O 2.88Å; V216-Y305 WeakPolarHBondContact O-CE1 3.39Å; V216-Y305 PolarHBondContact O-OH 3.15Å; V216-Y305 VanDerWaalsContact O-OH 3.04Å; L300-Y305 HydrophobicContact CB-CD1 4.29Å; L300-Y305 HydrophobicContact CB-CD2 4.23Å; L300-Y305 HydrophobicContact CB-CG 3.96Å; L300-Y305 HydrophobicContact CD2-CD1 4Å; L300-Y305 HydrophobicContact CD2-CD2 4.13Å; L300-Y305 HydrophobicContact CD2-CE1 3.75Å; L300-Y305 HydrophobicContact CD2-CE2 3.89Å; L300-Y305 HydrophobicContact CD2-CG 4.19Å; L300-Y305 WeakPolarHBondContact O-CB 3.24Å; L300-Y305 VanDerWaalsContact O-CD2 3.27Å; L300-Y305 WeakPolarHBondContact O-CD2 3.37Å; L300-Y305 PolarHBondContact O-N 3.07Å; L300-Y305 VanDerWaalsContact O-N 3.13Å; L303-Y305 HydrophobicContact CB-CD2 4.17Å; L303-Y305 HydrophobicContact CB-CE2 4.3Å; Y305-L376 CarbonylContact C-O 3.54Å; Y305-L376 VanDerWaalsContact CA-O 3.26Å; Y305-L376 WeakPolarHBondContact CA-O 3.44Å; Y305-L376 HydrophobicContact CD1-CB 3.69Å; Y305-L376 HydrophobicContact CD2-CB 4Å; Y305-L376 HydrophobicContact CD2-CD1 4.42Å; Y305-L376 HydrophobicContact CE1-CB 3.58Å; Y305-L376 HydrophobicContact CE1-CD1 4.32Å; Y305-L376 HydrophobicContact CE2-CB 3.91Å; Y305-L376 HydrophobicContact CE2-CD1 3.65Å; Y305-L376 HydrophobicContact CE2-CG 4.43Å; Y305-L376 HydrophobicContact CG-CB 3.9Å; Y305-F378 HydrophobicContact CD1-CB 4.31Å
306	A	98.3	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136	156.8	0	0	0	0	0	108.2	V202 F368 Y372 L376 K377 F378	V202-A306 HydrophobicContact CG1-CB 3.58Å; A306-F368 HydrophobicContact CB-CE2 3.87Å; A306-F368 HydrophobicContact CB-CZ 3.75Å; A306-Y372 HydrophobicContact CB-CD1 4.32Å; A306-Y372 HydrophobicContact CB-CD2 4Å; A306-Y372 HydrophobicContact CB-CE2 4.5Å; A306-Y372 HydrophobicContact CB-CG 3.89Å; A306-L376 PolarHBondContact N-O 3.41Å; A306-K377 CarbonylContact O-C 3.58Å; A306-K377 WeakPolarHBondContact O-CA 2.92Å; A306-F378 PolarHBondContact O-N 3Å
307	T	98.8	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.2	-172.6	57	0	0	0	0	111.8	W297 K301 D332 H333 F378	W297-T307 HydrophobicContact CB-CG2 4.29Å; K301-T307 HydrophobicContact CB-CG2 4Å; T307-D332 PolarHBondContact N-OD2 3.44Å; T307-D332 WeakPolarHBondContact O-CA 3.36Å; T307-D332 WeakPolarHBondContact O-CB 3.49Å; T307-D332 PolarHBondContact O-N 2.8Å; T307-D332 VanDerWaalsContact OG1-CG 3.25Å; T307-D332 PolarHBondContact OG1-N 2.82Å; T307-D332 PolarHBondContact OG1-OD2 2.84Å; T307-H333 PolarHBondContact O-N 3.44Å; T307-F378 CarbonylContact C-O 3.58Å; T307-F378 WeakPolarHBondContact CA-O 3.22Å; T307-F378 HydrophobicContact CG2-CB 4.33Å
308	L	98.9	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.2	177.1	-168.7	167.4	0	0	0	110.1	H333 Y364 F368 F378 A379 F380	L308-H333 CarbonylContact C-O 3.58Å; L308-H333 VanDerWaalsContact CA-O 3.26Å; L308-H333 WeakPolarHBondContact CA-O 3.49Å; L308-H333 HydrophobicContact CB-CB 4.07Å; L308-H333 HydrophobicContact CD1-CB 4.09Å; L308-H333 HydrophobicContact CG-CB 3.7Å; L308-Y364 HydrophobicContact CD1-CD1 3.94Å; L308-Y364 HydrophobicContact CD1-CE1 3.67Å; L308-Y364 HydrophobicContact CD2-CD1 4.38Å; L308-Y364 HydrophobicContact CD2-CE1 4.03Å; L308-Y364 HydrophobicContact CG-CE1 3.96Å; L308-F368 HydrophobicContact CB-CD1 4.1Å; L308-F368 HydrophobicContact CB-CD2 4.16Å; L308-F368 HydrophobicContact CB-CE1 3.88Å; L308-F368 HydrophobicContact CB-CE2 3.99Å; L308-F368 HydrophobicContact CB-CG 4.22Å; L308-F368 HydrophobicContact CB-CZ 3.84Å; L308-F368 HydrophobicContact CD1-CB 3.49Å; L308-F368 VanDerWaalsContact CD1-CB 3.49Å; L308-F368 HydrophobicContact CD1-CD1 3.82Å; L308-F368 HydrophobicContact CD1-CD2 3.77Å; L308-F368 HydrophobicContact CD1-CE1 4.45Å; L308-F368 HydrophobicContact CD1-CE2 4.44Å; L308-F368 HydrophobicContact CD1-CG 3.43Å; L308-F368 VanDerWaalsContact CD1-CG 3.43Å; L308-F368 HydrophobicContact CG-CG 4.46Å; L308-F378 PolarHBondContact N-O 3.32Å; L308-A379 HydrophobicContact CB-CB 4.3Å; L308-A379 WeakPolarHBondContact O-CA 3.45Å; L308-F380 PolarHBondContact O-N 3.45Å
309	Y	98.8	Very high	95.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.3	166.2	175.8	-144.3	0	0	0	109.4	W297 E311 F319 F326 P330 T331 H333 Y334 M335 F380	W297-Y309 HydrophobicContact CH2-CD1 4.46Å; Y309-E311 HydrophobicContact CE2-CB 4Å; Y309-E311 VanDerWaalsContact OH-CD 3.23Å; Y309-E311 PolarHBondContact OH-OE2 2.81Å; Y309-F319 HydrophobicContact CE1-CD2 4.04Å; Y309-F319 HydrophobicContact CE1-CE2 4.04Å; Y309-F319 AromaticContact CZ-CE2 3.94Å; Y309-F319 WeakPolarHBondContact OH-CE2 3.42Å; Y309-F326 HydrophobicContact CE1-CE2 4.2Å; Y309-P330 HydrophobicContact CD1-CG 4.16Å; Y309-T331 PolarHBondContact N-OG1 2.93Å; Y309-T331 VanDerWaalsContact N-OG1 3.16Å; Y309-H333 PolarHBondContact N-O 2.92Å; Y309-Y334 AromaticContact CD1-CD2 3.76Å; Y309-Y334 HydrophobicContact CD1-CD2 3.76Å; Y309-Y334 AromaticContact CD1-CE2 3.28Å; Y309-Y334 HydrophobicContact CD1-CE2 3.28Å; Y309-Y334 AromaticContact CE1-CE2 3.63Å; Y309-Y334 HydrophobicContact CE1-CE2 3.63Å; Y309-Y334 HydrophobicContact CG-CD2 4.22Å; Y309-Y334 HydrophobicContact CG-CE2 4.11Å; Y309-Y334 CarbonylContact O-C 3.56Å; Y309-Y334 VanDerWaalsContact O-CA 3.27Å; Y309-Y334 WeakPolarHBondContact O-CA 3.34Å; Y309-Y334 WeakPolarHBondContact O-CD2 3.4Å; Y309-M335 PolarHBondContact O-N 2.66Å; Y309-F380 CarbonylContact C-O 3.51Å; Y309-F380 WeakPolarHBondContact CA-O 3.26Å; Y309-F380 HydrophobicContact CD2-CB 4.31Å; Y309-F380 AromaticContact CD2-CD1 3.41Å; Y309-F380 HydrophobicContact CD2-CD1 3.41Å; Y309-F380 VanDerWaalsContact CD2-CD1 3.41Å; Y309-F380 HydrophobicContact CD2-CE1 4.03Å; Y309-F380 HydrophobicContact CD2-CG 4.16Å; Y309-F380 WeakPolarHBondContact CD2-O 3.28Å; Y309-F380 AromaticContact CE2-CD1 3.41Å; Y309-F380 HydrophobicContact CE2-CD1 3.41Å; Y309-F380 VanDerWaalsContact CE2-CD1 3.41Å; Y309-F380 AromaticContact CE2-CE1 3.5Å; Y309-F380 HydrophobicContact CE2-CE1 3.5Å; Y309-F380 HydrophobicContact CE2-CG 4.41Å; Y309-F380 HydrophobicContact CG-CD1 4.46Å
310	G	98.4	Very high	95.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.3	174.9	0	0	0	0	0	111.1	F380 Q381 F382	G310-F380 PolarHBondContact N-O 3.18Å; G310-Q381 CarbonylContact O-C 3.47Å; G310-Q381 WeakPolarHBondContact O-CA 3.17Å; G310-F382 PolarHBondContact O-N 3.4Å
311	E	97.9	Very high	95.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	122.8	-179.2	172.9	173.1	-142.7	0	0	108.6	Y309 T318 Y339 F382	Y309-E311 HydrophobicContact CE2-CB 4Å; Y309-E311 VanDerWaalsContact OH-CD 3.23Å; Y309-E311 PolarHBondContact OH-OE2 2.81Å; E311-T318 WeakPolarHBondContact OE1-CB 3.47Å; E311-T318 PolarHBondContact OE1-N 2.7Å; E311-T318 PolarHBondContact OE1-OG1 2.72Å; E311-T318 PolarHBondContact OE2-N 3.34Å; E311-Y339 WeakPolarHBondContact O-CD2 3.29Å; E311-F382 WeakPolarHBondContact CA-O 3.2Å; E311-F382 HydrophobicContact CB-CB 4.22Å; E311-F382 HydrophobicContact CG-CB 4.29Å; E311-F382 HydrophobicContact CG-CD1 4.2Å
312	D	97.2	Very high	94.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.			trans	-82.6	-177.3	169.5	72.4	23.4	0	0	0	111.4	Y339 Q357 F382 S384 A385	D312-Y339 VanDerWaalsContact CA-CD2 3.45Å; D312-Y339 HydrophobicContact CB-CD1 4.06Å; D312-Y339 HydrophobicContact CB-CD2 3.83Å; D312-Y339 HydrophobicContact CB-CE1 3.94Å; D312-Y339 HydrophobicContact CB-CE2 3.62Å; D312-Y339 HydrophobicContact CB-CG 4.01Å; D312-Q357 PolarHBondContact OD2-NE2 2.84Å; D312-F382 PolarHBondContact N-O 2.68Å; D312-S384 WeakPolarHBondContact OD1-CA 3.29Å; D312-S384 WeakPolarHBondContact OD1-CB 3.29Å; D312-S384 PolarHBondContact OD1-N 2.89Å; D312-S384 PolarHBondContact OD2-N 3.11Å; D312-A385 PolarHBondContact OD1-N 2.69Å; D312-A385 WeakPolarHBondContact OD2-CB 3.36Å; D312-A385 PolarHBondContact OD2-N 2.69Å
313	G	94.5	Very high	94.9	Very high	4 Å²	4	19.7 Å²	19.7	4%	0.041	9%	0.09	C	C	.	.			trans	67.4	48	-178.5	0	0	0	0	0	112.6	K315 I316 G317 E343	G313-K315 PolarHBondContact O-N 2.98Å; G313-I316 CarbonylContact O-C 3.08Å; G313-I316 PolarHBondContact O-N 2.99Å; G313-G317 PolarHBondContact O-N 2.84Å; G313-E343 WeakPolarHBondContact CA-OE2 3.14Å; G313-E343 PolarHBondContact N-OE1 3.05Å; G313-E343 PolarHBondContact N-OE2 2.76Å
314	A	93.3	Very high	95	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.025	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-21.9	-173	0	0	0	0	0	114.6	R340 E343	A314-R340 HydrophobicContact CB-CB 4.43Å; A314-E343 PolarHBondContact N-OE2 3.32Å
315	K	88.4	Confident	95.1	Very high	143 Å²	143	20 Å²	20	62%	0.622	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-32.1	174.9	-173.7	178.5	-180	-178.1	0	113.5	G313	G313-K315 PolarHBondContact O-N 2.98Å
316	I	88.9	Confident	95.1	Very high	56 Å²	56	19.9 Å²	19.9	29%	0.287	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	13.8	-176	63.7	168.2	0	0	0	113	G313 Y321 Y348	G313-I316 CarbonylContact O-C 3.08Å; G313-I316 PolarHBondContact O-N 2.99Å; I316-Y321 HydrophobicContact CG2-CD2 4.37Å; I316-Y348 VanDerWaalsContact CD1-OH 3.26Å; I316-Y348 WeakPolarHBondContact CD1-OH 3.1Å
317	G	93.6	Very high	95.1	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	10%	0.104	C	C	.	.			trans	-55.5	146.1	-174.3	0	0	0	0	0	114	G313 F319 T320 Y321	G313-G317 PolarHBondContact O-N 2.84Å; G317-F319 VanDerWaalsContact C-N 3.28Å; G317-F319 PolarHBondContact O-N 3.46Å; G317-F319 VanDerWaalsContact O-N 3.11Å; G317-T320 PolarHBondContact O-N 2.81Å; G317-Y321 PolarHBondContact O-N 2.8Å
318	T	96.2	Very high	95.1	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.049	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-49.7	-172.8	-62.5	0	0	0	0	112.8	T261 T262 I265 E311	T261-T318 HydrophobicContact CG2-CG2 4.01Å; T261-T318 WeakPolarHBondContact CG2-OG1 3.46Å; T262-T318 HydrophobicContact CG2-CG2 4.28Å; T262-T318 VanDerWaalsContact CG2-O 3.3Å; T262-T318 WeakPolarHBondContact CG2-O 3.29Å; I265-T318 HydrophobicContact CB-CG2 4.03Å; I265-T318 HydrophobicContact CG2-CG2 3.97Å; E311-T318 WeakPolarHBondContact OE1-CB 3.47Å; E311-T318 PolarHBondContact OE1-N 2.7Å; E311-T318 PolarHBondContact OE1-OG1 2.72Å; E311-T318 PolarHBondContact OE2-N 3.34Å
319	F	97.1	Very high	95	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.5	-175.8	-55.6	-73.8	0	0	0	114	I265 I266 L269 V290 F295 Y309 G317 L323 G325 F326	I265-F319 HydrophobicContact CG2-CE2 4.41Å; I265-F319 HydrophobicContact CG2-CZ 4.03Å; I266-F319 HydrophobicContact CG1-CE1 3.94Å; L269-F319 HydrophobicContact CD1-CE2 4.47Å; L269-F319 HydrophobicContact CD1-CZ 4.01Å; V290-F319 HydrophobicContact CB-CD1 4.47Å; V290-F319 HydrophobicContact CG1-CB 4.4Å; V290-F319 HydrophobicContact CG1-CD1 4.24Å; V290-F319 HydrophobicContact CG2-CB 4Å; V290-F319 HydrophobicContact CG2-CD1 4.36Å; V290-F319 HydrophobicContact CG2-CG 4.33Å; F295-F319 AromaticContact CE1-CE1 3.8Å; F295-F319 HydrophobicContact CE1-CE1 3.8Å; F295-F319 AromaticContact CE1-CZ 3.71Å; F295-F319 HydrophobicContact CE1-CZ 3.71Å; F295-F319 HydrophobicContact CZ-CD1 4.37Å; F295-F319 AromaticContact CZ-CE1 3.88Å; F295-F319 HydrophobicContact CZ-CE1 3.88Å; F295-F319 HydrophobicContact CZ-CZ 4.11Å; Y309-F319 HydrophobicContact CE1-CD2 4.04Å; Y309-F319 HydrophobicContact CE1-CE2 4.04Å; Y309-F319 AromaticContact CZ-CE2 3.94Å; Y309-F319 WeakPolarHBondContact OH-CE2 3.42Å; G317-F319 VanDerWaalsContact C-N 3.28Å; G317-F319 PolarHBondContact O-N 3.46Å; G317-F319 VanDerWaalsContact O-N 3.11Å; F319-L323 HydrophobicContact CD1-CD1 4.24Å; F319-L323 CarbonylContact O-C 3.59Å; F319-L323 WeakPolarHBondContact O-CB 3.14Å; F319-G325 WeakPolarHBondContact O-CA 3.48Å; F319-G325 PolarHBondContact O-N 3.27Å; F319-F326 HydrophobicContact CB-CE2 4.04Å; F319-F326 AromaticContact CD2-CE2 3.67Å; F319-F326 HydrophobicContact CD2-CE2 3.67Å; F319-F326 HydrophobicContact CD2-CZ 4.13Å; F319-F326 HydrophobicContact CE2-CE2 4.33Å; F319-F326 HydrophobicContact CE2-CZ 4.44Å; F319-F326 AromaticContact CG-CE2 3.92Å; F319-F326 HydrophobicContact CG-CE2 3.92Å; F319-F326 HydrophobicContact CG-CZ 4.3Å
320	T	93.7	Very high	95	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.025	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-12	-170.4	61.3	0	0	0	0	114.2	D155 K282 G317 R336	D155-T320 HydrophobicContact CB-CG2 3.69Å; D155-T320 VanDerWaalsContact CG-CG2 3.43Å; D155-T320 WeakPolarHBondContact OD2-CG2 3.36Å; K282-T320 WeakPolarHBondContact CE-O 3.39Å; K282-T320 PolarHBondContact NZ-O 3.04Å; G317-T320 PolarHBondContact O-N 2.81Å; T320-R336 PolarHBondContact OG1-NE 3.4Å; T320-R336 PolarHBondContact OG1-NH2 3.02Å
321	Y	90.7	Very high	95	Very high	80 Å²	80	36.3 Å²	36.3	31%	0.314	16%	0.158	S	C	.	.	S	Bend	trans	-69.8	-68.7	173.5	-176.9	-121.2	0	0	0	110.8	K282 I316 G317	K282-Y321 PolarHBondContact NZ-O 2.85Å; I316-Y321 HydrophobicContact CG2-CD2 4.37Å; G317-Y321 PolarHBondContact O-N 2.8Å
322	R	90.6	Very high	95	Very high	59 Å²	59	36.3 Å²	36.3	22%	0.223	16%	0.158	C	C	.	.	S	Bend	trans	-91.5	-29.2	178.7	-61.4	-175.3	-61.8	102.8	-0.3	114.1	T262 E274 L281 K282 S657	T262-R322 PolarHBondContact OG1-NH2 3.11Å; E274-R322 IonicContact OE1-CZ 3.95Å; E274-R322 IonicContact OE1-NH1 2.91Å; E274-R322 PolarHBondContact OE1-NH1 3.17Å; E274-R322 IonicContact OE1-NH2 2.68Å; E274-R322 IonicContact OE2-CZ 3.69Å; E274-R322 IonicContact OE2-NH1 2.91Å; E274-R322 IonicContact OE2-NH2 3.2Å; E274-R322 PolarHBondContact OE2-NH2 3.23Å; L281-R322 HydrophobicContact CD2-CB 4.33Å; K282-R322 PolarHBondContact N-O 3.26Å; K282-R322 VanDerWaalsContact N-O 3.1Å; R322-S657 WeakPolarHBondContact CA-OG 3.2Å
323	L	93.7	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-96	162.2	-173.7	-43.2	-179.2	0	0	0	111	I266 T280 L281 K282 V290 F319 G325	I266-L323 HydrophobicContact CD1-CD1 4.2Å; T280-L323 CarbonylContact O-C 3.11Å; T280-L323 VanDerWaalsContact O-CA 3.25Å; T280-L323 WeakPolarHBondContact O-CA 3.09Å; L281-L323 HydrophobicContact CD2-CD2 3.81Å; L281-L323 HydrophobicContact CG-CD2 4.42Å; K282-L323 WeakPolarHBondContact CE-O 3.4Å; V290-L323 HydrophobicContact CG1-CB 3.94Å; V290-L323 HydrophobicContact CG1-CD1 3.9Å; F319-L323 HydrophobicContact CD1-CD1 4.24Å; F319-L323 CarbonylContact O-C 3.59Å; F319-L323 WeakPolarHBondContact O-CB 3.14Å; L323-G325 PolarHBondContact O-N 3.46Å; L323-G325 VanDerWaalsContact O-N 3.13Å
324	K	94	Very high	95.3	Very high	52 Å²	52	36.3 Å²	36.3	23%	0.226	16%	0.157	C	C	.	.			trans	-71.4	1.1	-176.9	-74.5	-178.5	70.2	167.9	0	114.3	F156 T280 K282 A287 Y289	F156-K324 VanDerWaalsContact CE2-O 3.31Å; F156-K324 WeakPolarHBondContact CE2-O 3.17Å; T280-K324 WeakPolarHBondContact O-CG 3.27Å; T280-K324 PolarHBondContact O-N 2.76Å; K282-K324 HydrophobicContact CG-CG 4.19Å; A287-K324 HydrophobicContact CB-CD 3.87Å; A287-K324 WeakPolarHBondContact O-CD 3.37Å; A287-K324 PolarHBondContact O-NZ 2.98Å; Y289-K324 HydrophobicContact CD1-CB 4.04Å; Y289-K324 VanDerWaalsContact CD1-O 3.25Å; Y289-K324 WeakPolarHBondContact CD1-O 3.39Å; Y289-K324 HydrophobicContact CE1-CB 4.43Å; Y289-K324 HydrophobicContact CG-CB 4.48Å
325	G	96.6	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.156	C	C	.	.			trans	64.6	-172	-177.6	0	0	0	0	0	113.2	D155 Y289 V290 F319 L323	D155-G325 VanDerWaalsContact OD2-CA 3.3Å; D155-G325 WeakPolarHBondContact OD2-CA 3.46Å; Y289-G325 WeakPolarHBondContact CB-O 3.36Å; Y289-G325 WeakPolarHBondContact CD1-O 3.5Å; V290-G325 VanDerWaalsContact CG2-C 3.45Å; V290-G325 VanDerWaalsContact CG2-O 3.31Å; V290-G325 WeakPolarHBondContact CG2-O 3.19Å; V290-G325 PolarHBondContact N-O 2.82Å; F319-G325 WeakPolarHBondContact O-CA 3.48Å; F319-G325 PolarHBondContact O-N 3.27Å; L323-G325 PolarHBondContact O-N 3.46Å; L323-G325 VanDerWaalsContact O-N 3.13Å
326	F	98.3	Very high	95.9	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	13%	0.127	C	C	.	.			trans	-87	129.9	177	-68.8	-77.3	0	0	0	110.8	F152 D155 V290 D291 F295 W297 Y309 F319 R328 P330	F152-F326 HydrophobicContact CZ-CB 4.31Å; D155-F326 PolarHBondContact N-O 2.77Å; D155-F326 WeakPolarHBondContact OD2-CB 3.28Å; D155-F326 WeakPolarHBondContact OD2-CD2 3.34Å; D155-F326 PolarHBondContact OD2-N 3.18Å; V290-F326 HydrophobicContact CB-CE1 4.49Å; V290-F326 HydrophobicContact CG2-CD1 3.55Å; V290-F326 HydrophobicContact CG2-CD2 3.87Å; V290-F326 HydrophobicContact CG2-CE1 3.5Å; V290-F326 VanDerWaalsContact CG2-CE1 3.5Å; V290-F326 HydrophobicContact CG2-CE2 3.81Å; V290-F326 HydrophobicContact CG2-CG 3.74Å; V290-F326 HydrophobicContact CG2-CZ 3.62Å; D291-F326 WeakPolarHBondContact OD2-CA 3.36Å; F295-F326 HydrophobicContact CD2-CE1 4.16Å; F295-F326 HydrophobicContact CE1-CZ 4.44Å; F295-F326 AromaticContact CE2-CE1 3.38Å; F295-F326 HydrophobicContact CE2-CE1 3.38Å; F295-F326 AromaticContact CE2-CZ 3.67Å; F295-F326 HydrophobicContact CE2-CZ 3.67Å; F295-F326 AromaticContact CZ-CE1 3.83Å; F295-F326 HydrophobicContact CZ-CE1 3.83Å; F295-F326 AromaticContact CZ-CZ 3.61Å; F295-F326 HydrophobicContact CZ-CZ 3.61Å; W297-F326 HydrophobicContact CH2-CZ 4.22Å; W297-F326 HydrophobicContact CZ2-CE1 4.19Å; W297-F326 AromaticContact CZ2-CZ 3.84Å; W297-F326 HydrophobicContact CZ2-CZ 3.84Å; Y309-F326 HydrophobicContact CE1-CE2 4.2Å; F319-F326 HydrophobicContact CB-CE2 4.04Å; F319-F326 AromaticContact CD2-CE2 3.67Å; F319-F326 HydrophobicContact CD2-CE2 3.67Å; F319-F326 HydrophobicContact CD2-CZ 4.13Å; F319-F326 HydrophobicContact CE2-CE2 4.33Å; F319-F326 HydrophobicContact CE2-CZ 4.44Å; F319-F326 AromaticContact CG-CE2 3.92Å; F319-F326 HydrophobicContact CG-CE2 3.92Å; F319-F326 HydrophobicContact CG-CZ 4.3Å; F326-R328 WeakPolarHBondContact CB-O 3.44Å; F326-P330 HydrophobicContact CD1-CB 3.71Å; F326-P330 HydrophobicContact CD1-CG 4.19Å; F326-P330 HydrophobicContact CD2-CB 4.31Å; F326-P330 HydrophobicContact CD2-CG 3.98Å; F326-P330 HydrophobicContact CE1-CB 3.57Å; F326-P330 HydrophobicContact CE1-CG 4.28Å; F326-P330 HydrophobicContact CE2-CB 4.2Å; F326-P330 HydrophobicContact CE2-CG 4.08Å; F326-P330 HydrophobicContact CG-CB 4.08Å; F326-P330 HydrophobicContact CG-CG 4.04Å; F326-P330 HydrophobicContact CZ-CB 3.84Å; F326-P330 HydrophobicContact CZ-CG 4.23Å
327	K	97.8	Very high	96.2	Very high	76 Å²	76	27 Å²	27	33%	0.33	11%	0.114	S	C	.	.	S	Bend	trans	-82.2	-32.1	170.3	-167.5	57.3	174.6	-177.8	0	112.1	D154 Y289 D291	D154-K327 HydrophobicContact CB-CD 4.08Å; D154-K327 IonicContact OD2-NZ 3.39Å; D154-K327 PolarHBondContact OD2-NZ 3.31Å; Y289-K327 HydrophobicContact CD1-CB 3.82Å; Y289-K327 HydrophobicContact CD1-CD 4.33Å; Y289-K327 HydrophobicContact CD2-CB 3.98Å; Y289-K327 HydrophobicContact CD2-CD 4.48Å; Y289-K327 HydrophobicContact CD2-CG 4.34Å; Y289-K327 HydrophobicContact CE1-CB 4.23Å; Y289-K327 HydrophobicContact CE1-CD 3.86Å; Y289-K327 HydrophobicContact CE2-CB 4.38Å; Y289-K327 HydrophobicContact CE2-CD 4.04Å; Y289-K327 HydrophobicContact CE2-CG 4.31Å; Y289-K327 HydrophobicContact CG-CB 3.68Å; Y289-K327 HydrophobicContact CG-CG 4.48Å; D291-K327 PolarHBondContact OD2-N 2.92Å
328	R	98	Very high	96.4	Very high	175 Å²	175	27 Å²	27	66%	0.66	11%	0.113	S	C	*	.	S	Bend	trans	-119.6	152.6	174.3	-60.7	173.9	-64.2	-158.9	5.1	109.6	F152 D291 F326 P330	F152-R328 VanDerWaalsContact CE1-C 3.48Å; D291-R328 WeakPolarHBondContact OD1-CB 3.43Å; D291-R328 IonicContact OD1-CZ 2.69Å; D291-R328 PolarHBondContact OD1-N 3.01Å; D291-R328 VanDerWaalsContact OD1-N 3.08Å; D291-R328 IonicContact OD1-NE 3.15Å; D291-R328 PolarHBondContact OD1-NE 3.46Å; D291-R328 IonicContact OD1-NH2 3.31Å; F326-R328 WeakPolarHBondContact CB-O 3.44Å; R328-P330 WeakPolarHBondContact O-CD 3.44Å
329	Q	97.9	Very high	96.5	Very high	81 Å²	81	26.7 Å²	26.7	38%	0.379	11%	0.111	S	C	.	.			trans	-58	123.8	178.9	-165.8	177.5	-74.3	0	0	110.2	F152 T331 D332 Y334	F152-Q329 HydrophobicContact CD1-CB 3.9Å; F152-Q329 HydrophobicContact CE1-CB 4.19Å; F152-Q329 VanDerWaalsContact CE1-N 3.28Å; F152-Q329 HydrophobicContact CG-CB 4.42Å; Q329-T331 WeakPolarHBondContact CG-O 3.13Å; Q329-T331 PolarHBondContact NE2-O 3.34Å; Q329-T331 PolarHBondContact O-N 3.11Å; Q329-D332 PolarHBondContact NE2-O 3.35Å; Q329-Y334 HydrophobicContact CG-CD1 4.15Å; Q329-Y334 HydrophobicContact CG-CG 4.3Å
330	P	98.3	Very high	96.3	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.071	13%	0.128	C	C	.	.	S	Bend	trans	-73.6	-26	-169.8	25.2	-33.6	0	0	0	114.3	W297 Y309 F326 R328 Y334	W297-P330 HydrophobicContact CZ2-CB 4Å; W297-P330 PolarHBondContact NE1-O 3.02Å; Y309-P330 HydrophobicContact CD1-CG 4.16Å; F326-P330 HydrophobicContact CD1-CB 3.71Å; F326-P330 HydrophobicContact CD1-CG 4.19Å; F326-P330 HydrophobicContact CD2-CB 4.31Å; F326-P330 HydrophobicContact CD2-CG 3.98Å; F326-P330 HydrophobicContact CE1-CB 3.57Å; F326-P330 HydrophobicContact CE1-CG 4.28Å; F326-P330 HydrophobicContact CE2-CB 4.2Å; F326-P330 HydrophobicContact CE2-CG 4.08Å; F326-P330 HydrophobicContact CG-CB 4.08Å; F326-P330 HydrophobicContact CG-CG 4.04Å; F326-P330 HydrophobicContact CZ-CB 3.84Å; F326-P330 HydrophobicContact CZ-CG 4.23Å; R328-P330 WeakPolarHBondContact O-CD 3.44Å; P330-Y334 HydrophobicContact CG-CD1 4.15Å; P330-Y334 HydrophobicContact CG-CD2 3.95Å; P330-Y334 HydrophobicContact CG-CE1 4.11Å; P330-Y334 HydrophobicContact CG-CE2 3.98Å; P330-Y334 HydrophobicContact CG-CG 4.05Å
331	T	98.7	Very high	96.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	14%	0.138	C	C	.	.	S	Bend	trans	-138.2	170	-173.5	48.3	0	0	0	0	109.6	W297 Y309 Q329 H333	W297-T331 HydrophobicContact CB-CG2 4.33Å; W297-T331 HydrophobicContact CD2-CG2 4.07Å; W297-T331 HydrophobicContact CG-CG2 3.95Å; Y309-T331 PolarHBondContact N-OG1 2.93Å; Y309-T331 VanDerWaalsContact N-OG1 3.16Å; Q329-T331 WeakPolarHBondContact CG-O 3.13Å; Q329-T331 PolarHBondContact NE2-O 3.34Å; Q329-T331 PolarHBondContact O-N 3.11Å; T331-H333 PolarHBondContact O-N 3.09Å; T331-H333 PolarHBondContact OG1-O 3.46Å
332	D	98.5	Very high	96.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	13%	0.127	C	C	.	.	S	Bend	trans	-64.7	-32.9	179.3	-54.8	-53.2	0	0	0	111.7	Q199 V202 R205 K301 T307 Q329	Q199-D332 PolarHBondContact NE2-O 3.01Å; V202-D332 HydrophobicContact CG2-CB 3.8Å; R205-D332 IonicContact CZ-OD1 3.94Å; R205-D332 IonicContact CZ-OD2 3.97Å; R205-D332 IonicContact NH1-OD1 3.85Å; R205-D332 PolarHBondContact NH1-OD1 3.36Å; R205-D332 IonicContact NH1-OD2 2.75Å; R205-D332 PolarHBondContact NH1-OD2 3.04Å; R205-D332 IonicContact NH2-OD1 3.24Å; R205-D332 PolarHBondContact NH2-OD1 3.48Å; R205-D332 IonicContact NH2-OD2 2.76Å; K301-D332 VanDerWaalsContact CE-OD1 3.31Å; K301-D332 WeakPolarHBondContact CE-OD1 3.4Å; K301-D332 IonicContact NZ-OD1 2.8Å; K301-D332 PolarHBondContact NZ-OD1 3.37Å; T307-D332 PolarHBondContact N-OD2 3.44Å; T307-D332 WeakPolarHBondContact O-CA 3.36Å; T307-D332 WeakPolarHBondContact O-CB 3.49Å; T307-D332 PolarHBondContact O-N 2.8Å; T307-D332 VanDerWaalsContact OG1-CG 3.25Å; T307-D332 PolarHBondContact OG1-N 2.82Å; T307-D332 PolarHBondContact OG1-OD2 2.84Å; Q329-D332 PolarHBondContact NE2-O 3.35Å
333	H	98.7	Very high	96.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.5	179	-71.6	-73.7	0	0	0	110.3	D175 V197 Q199 T307 L308 Y309 T331 Y364 F368 Y372	D175-H333 IonicContact OD1-CE1 2.67Å; D175-H333 IonicContact OD1-ND1 2.79Å; D175-H333 IonicContact OD2-CE1 2.99Å; D175-H333 IonicContact OD2-CG 3.07Å; D175-H333 IonicContact OD2-ND1 3.03Å; D175-H333 PolarHBondContact OD2-ND1 2.92Å; V197-H333 PolarHBondContact O-CE1 2.84Å; Q199-H333 PolarHBondContact NE2-CE1 2.85Å; T307-H333 PolarHBondContact O-N 3.44Å; L308-H333 CarbonylContact C-O 3.58Å; L308-H333 VanDerWaalsContact CA-O 3.26Å; L308-H333 WeakPolarHBondContact CA-O 3.49Å; L308-H333 HydrophobicContact CB-CB 4.07Å; L308-H333 HydrophobicContact CD1-CB 4.09Å; L308-H333 HydrophobicContact CG-CB 3.7Å; Y309-H333 PolarHBondContact N-O 2.92Å; T331-H333 PolarHBondContact O-N 3.09Å; T331-H333 PolarHBondContact OG1-O 3.46Å; H333-Y364 HydrophobicContact CB-CE1 4.49Å; H333-Y364 WeakPolarHBondContact CB-OH 3.39Å; H333-F368 AromaticContact CD2-CD2 3.82Å; H333-F368 AromaticContact CD2-CE2 3.76Å; H333-Y372 AromaticContact CD2-CE2 3.69Å; H333-Y372 AromaticContact NE2-CE2 3.23Å; H333-Y372 WeakPolarHBondContact NE2-CE2 3Å; H333-Y372 AromaticContact NE2-CZ 3.36Å; H333-Y372 PolarHBondContact NE2-OH 3.14Å
334	Y	98.5	Very high	95.6	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	97.1	-172.1	-173.6	-144.9	0	0	0	113	F152 D155 F176 Y309 Q329 P330 R336 V337	F152-Y334 AromaticContact CD2-CD1 3.89Å; F152-Y334 HydrophobicContact CD2-CD1 3.89Å; F152-Y334 HydrophobicContact CD2-CE1 4.05Å; F152-Y334 AromaticContact CE2-CD1 3.84Å; F152-Y334 HydrophobicContact CE2-CD1 3.84Å; F152-Y334 AromaticContact CE2-CE1 3.56Å; F152-Y334 HydrophobicContact CE2-CE1 3.56Å; F152-Y334 HydrophobicContact CZ-CE1 4.24Å; D155-Y334 VanDerWaalsContact OD1-CE1 3.29Å; D155-Y334 WeakPolarHBondContact OD1-CE1 3.29Å; D155-Y334 PolarHBondContact OD1-OH 2.89Å; D155-Y334 PolarHBondContact OD2-OH 2.88Å; F176-Y334 WeakPolarHBondContact CE2-O 3.46Å; Y309-Y334 AromaticContact CD1-CD2 3.76Å; Y309-Y334 HydrophobicContact CD1-CD2 3.76Å; Y309-Y334 AromaticContact CD1-CE2 3.28Å; Y309-Y334 HydrophobicContact CD1-CE2 3.28Å; Y309-Y334 AromaticContact CE1-CE2 3.63Å; Y309-Y334 HydrophobicContact CE1-CE2 3.63Å; Y309-Y334 HydrophobicContact CG-CD2 4.22Å; Y309-Y334 HydrophobicContact CG-CE2 4.11Å; Y309-Y334 CarbonylContact O-C 3.56Å; Y309-Y334 VanDerWaalsContact O-CA 3.27Å; Y309-Y334 WeakPolarHBondContact O-CA 3.34Å; Y309-Y334 WeakPolarHBondContact O-CD2 3.4Å; Q329-Y334 HydrophobicContact CG-CD1 4.15Å; Q329-Y334 HydrophobicContact CG-CG 4.3Å; P330-Y334 HydrophobicContact CG-CD1 4.15Å; P330-Y334 HydrophobicContact CG-CD2 3.95Å; P330-Y334 HydrophobicContact CG-CE1 4.11Å; P330-Y334 HydrophobicContact CG-CE2 3.98Å; P330-Y334 HydrophobicContact CG-CG 4.05Å; Y334-R336 VanDerWaalsContact C-N 3.27Å; Y334-R336 HydrophobicContact CD2-CB 4.12Å; Y334-R336 HydrophobicContact CE1-CB 4.01Å; Y334-R336 HydrophobicContact CE2-CB 3.51Å; Y334-R336 VanDerWaalsContact CZ-CB 3.49Å; Y334-R336 PolarHBondContact O-N 2.91Å; Y334-R336 WeakPolarHBondContact OH-CD 3.25Å; Y334-V337 HydrophobicContact CD1-CG2 4.39Å; Y334-V337 WeakPolarHBondContact O-CG2 3.38Å; Y334-V337 PolarHBondContact O-N 3.18Å
335	M	97.8	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.3	-170.5	-160	169.8	-176.6	0	0	114.5	F176 A194 Y309 V337 F338 Y339 V360 H361 Y364	F176-M335 HydrophobicContact CE1-CG 4.13Å; F176-M335 HydrophobicContact CZ-CB 4.36Å; F176-M335 HydrophobicContact CZ-CG 4.21Å; A194-M335 HydrophobicContact CB-CE 4.21Å; Y309-M335 PolarHBondContact O-N 2.66Å; M335-V337 PolarHBondContact O-N 3.44Å; M335-F338 HydrophobicContact CE-CD1 4.04Å; M335-F338 HydrophobicContact CG-CB 4.26Å; M335-F338 VanDerWaalsContact O-CB 3.28Å; M335-F338 WeakPolarHBondContact O-CB 3.48Å; M335-F338 PolarHBondContact O-N 2.81Å; M335-Y339 HydrophobicContact CE-CE2 4.22Å; M335-Y339 HydrophobicContact CG-CD2 4.43Å; M335-Y339 HydrophobicContact CG-CE2 3.98Å; M335-Y339 HydrophobicContact SD-CE2 4.15Å; M335-V360 HydrophobicContact CE-CG1 4.33Å; M335-H361 HydrophobicContact CE-CB 4.22Å; M335-H361 HydrophobicContact SD-CB 4.28Å; M335-H361 PolarHBondContact SD-CD2 2.85Å; M335-Y364 HydrophobicContact CB-CD1 3.97Å; M335-Y364 HydrophobicContact CB-CE1 3.75Å; M335-Y364 HydrophobicContact CE-CD1 4.47Å; M335-Y364 HydrophobicContact CE-CG 4.28Å; M335-Y364 HydrophobicContact CG-CD1 3.91Å; M335-Y364 HydrophobicContact CG-CE1 4.06Å; M335-Y364 HydrophobicContact CG-CG 4.48Å; M335-Y364 HydrophobicContact SD-CD1 3.44Å; M335-Y364 WeakPolarHBondContact SD-CD1 3.36Å; M335-Y364 HydrophobicContact SD-CE1 4.2Å; M335-Y364 HydrophobicContact SD-CG 3.81Å
336	R	96.1	Very high	93	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.011	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-26.8	176.2	-168.9	-177.6	166.8	-77.3	-5.1	112.5	D155 T320 Y334 F338 Y339 R340	D155-R336 VanDerWaalsContact O-CZ 3.24Å; D155-R336 PolarHBondContact O-NH1 2.89Å; D155-R336 PolarHBondContact O-NH2 3.4Å; D155-R336 WeakPolarHBondContact OD1-CD 3.39Å; D155-R336 IonicContact OD1-CZ 2.72Å; D155-R336 IonicContact OD1-NE 2.99Å; D155-R336 IonicContact OD1-NH1 3.73Å; D155-R336 PolarHBondContact OD1-NH1 3.35Å; T320-R336 PolarHBondContact OG1-NE 3.4Å; T320-R336 PolarHBondContact OG1-NH2 3.02Å; Y334-R336 VanDerWaalsContact C-N 3.27Å; Y334-R336 HydrophobicContact CD2-CB 4.12Å; Y334-R336 HydrophobicContact CE1-CB 4.01Å; Y334-R336 HydrophobicContact CE2-CB 3.51Å; Y334-R336 VanDerWaalsContact CZ-CB 3.49Å; Y334-R336 PolarHBondContact O-N 2.91Å; Y334-R336 WeakPolarHBondContact OH-CD 3.25Å; R336-F338 VanDerWaalsContact C-N 3.28Å; R336-F338 PolarHBondContact O-N 3.27Å; R336-Y339 PolarHBondContact O-N 2.69Å; R336-R340 WeakPolarHBondContact O-CB 3.32Å; R336-R340 PolarHBondContact O-N 2.97Å
337	V	96.6	Very high	92.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-44.3	173.6	175	0	0	0	0	111.5	I150 F152 L158 F176 Y334 M335 M341	I150-V337 HydrophobicContact CB-CG1 4.4Å; I150-V337 HydrophobicContact CG2-CG1 3.85Å; F152-V337 HydrophobicContact CB-CG2 3.76Å; F152-V337 HydrophobicContact CD2-CG2 3.8Å; F152-V337 HydrophobicContact CG-CG2 4.26Å; L158-V337 HydrophobicContact CD2-CG1 4.01Å; L158-V337 HydrophobicContact CD2-CG2 4.49Å; F176-V337 HydrophobicContact CD2-CB 3.65Å; F176-V337 HydrophobicContact CD2-CG1 3.56Å; F176-V337 HydrophobicContact CE2-CB 3.7Å; F176-V337 HydrophobicContact CE2-CG1 4.13Å; F176-V337 HydrophobicContact CE2-CG2 4.43Å; F176-V337 HydrophobicContact CG-CG1 4.47Å; Y334-V337 HydrophobicContact CD1-CG2 4.39Å; Y334-V337 WeakPolarHBondContact O-CG2 3.38Å; Y334-V337 PolarHBondContact O-N 3.18Å; M335-V337 PolarHBondContact O-N 3.44Å; V337-M341 PolarHBondContact O-N 3.07Å
338	F	97.3	Very high	92	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-53.1	177.3	-172.4	-111.1	0	0	0	110.8	F176 A194 M335 R336 R340 M341 T342 Y352 V360	F176-F338 HydrophobicContact CB-CD2 4.19Å; F176-F338 HydrophobicContact CD1-CB 3.61Å; F176-F338 AromaticContact CD1-CD2 3.71Å; F176-F338 HydrophobicContact CD1-CD2 3.71Å; F176-F338 AromaticContact CD1-CG 3.99Å; F176-F338 HydrophobicContact CD1-CG 3.99Å; F176-F338 HydrophobicContact CE1-CB 3.82Å; F176-F338 HydrophobicContact CE1-CG 4.43Å; F176-F338 HydrophobicContact CG-CB 3.99Å; F176-F338 HydrophobicContact CG-CD2 4.2Å; F176-F338 HydrophobicContact CZ-CB 4.38Å; A194-F338 HydrophobicContact CB-CD2 4.07Å; A194-F338 HydrophobicContact CB-CE2 4.04Å; A194-F338 HydrophobicContact CB-CG 4.44Å; A194-F338 HydrophobicContact CB-CZ 4.37Å; M335-F338 HydrophobicContact CE-CD1 4.04Å; M335-F338 HydrophobicContact CG-CB 4.26Å; M335-F338 VanDerWaalsContact O-CB 3.28Å; M335-F338 WeakPolarHBondContact O-CB 3.48Å; M335-F338 PolarHBondContact O-N 2.81Å; R336-F338 VanDerWaalsContact C-N 3.28Å; R336-F338 PolarHBondContact O-N 3.27Å; F338-R340 VanDerWaalsContact C-N 3.35Å; F338-R340 PolarHBondContact O-N 2.99Å; F338-M341 WeakPolarHBondContact O-CB 3.18Å; F338-M341 PolarHBondContact O-N 2.76Å; F338-M341 VanDerWaalsContact O-N 3.08Å; F338-T342 HydrophobicContact CD2-CG2 4.4Å; F338-T342 HydrophobicContact CE1-CG2 4.38Å; F338-T342 HydrophobicContact CE2-CG2 4.22Å; F338-T342 HydrophobicContact CZ-CG2 4.21Å; F338-T342 VanDerWaalsContact O-CG2 3.29Å; F338-T342 WeakPolarHBondContact O-CG2 3.33Å; F338-T342 PolarHBondContact O-N 3.2Å; F338-T342 PolarHBondContact O-OG1 2.89Å; F338-T342 VanDerWaalsContact O-OG1 3.14Å; F338-Y352 HydrophobicContact CE1-CD1 4.22Å; F338-Y352 HydrophobicContact CE1-CD2 4.32Å; F338-Y352 AromaticContact CE1-CE1 3.6Å; F338-Y352 HydrophobicContact CE1-CE1 3.6Å; F338-Y352 AromaticContact CE1-CE2 3.73Å; F338-Y352 HydrophobicContact CE1-CE2 3.73Å; F338-Y352 AromaticContact CE1-CZ 3.31Å; F338-Y352 WeakPolarHBondContact CE1-OH 3.47Å; F338-Y352 AromaticContact CZ-CD1 3.8Å; F338-Y352 HydrophobicContact CZ-CD1 3.8Å; F338-Y352 HydrophobicContact CZ-CD2 4.47Å; F338-Y352 AromaticContact CZ-CE1 3.53Å; F338-Y352 HydrophobicContact CZ-CE1 3.53Å; F338-Y352 HydrophobicContact CZ-CE2 4.25Å; F338-Y352 HydrophobicContact CZ-CG 4.25Å; F338-Y352 AromaticContact CZ-CZ 3.77Å; F338-V360 HydrophobicContact CE1-CG1 3.93Å; F338-V360 HydrophobicContact CZ-CG1 4.05Å
339	Y	96.9	Very high	91.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.6	-33.1	-177.6	-64.6	-60.2	0	0	0	113.5	E311 D312 M335 R336 M341 T342 E343 Q357 H361	E311-Y339 WeakPolarHBondContact O-CD2 3.29Å; D312-Y339 VanDerWaalsContact CA-CD2 3.45Å; D312-Y339 HydrophobicContact CB-CD1 4.06Å; D312-Y339 HydrophobicContact CB-CD2 3.83Å; D312-Y339 HydrophobicContact CB-CE1 3.94Å; D312-Y339 HydrophobicContact CB-CE2 3.62Å; D312-Y339 HydrophobicContact CB-CG 4.01Å; M335-Y339 HydrophobicContact CE-CE2 4.22Å; M335-Y339 HydrophobicContact CG-CD2 4.43Å; M335-Y339 HydrophobicContact CG-CE2 3.98Å; M335-Y339 HydrophobicContact SD-CE2 4.15Å; R336-Y339 PolarHBondContact O-N 2.69Å; Y339-M341 PolarHBondContact O-N 3.42Å; Y339-T342 WeakPolarHBondContact CA-OG1 3.27Å; Y339-T342 PolarHBondContact O-N 3.04Å; Y339-E343 HydrophobicContact CD1-CG 4.08Å; Y339-E343 WeakPolarHBondContact CD1-OE1 3.43Å; Y339-E343 WeakPolarHBondContact O-CA 3.41Å; Y339-E343 WeakPolarHBondContact O-CB 3.17Å; Y339-E343 PolarHBondContact O-N 2.94Å; Y339-Q357 HydrophobicContact CE1-CG 3.75Å; Y339-Q357 VanDerWaalsContact CE1-NE2 3.29Å; Y339-Q357 VanDerWaalsContact CZ-NE2 3.28Å; Y339-Q357 PolarHBondContact OH-NE2 3.41Å; Y339-H361 AromaticContact CE2-CE1 3.97Å; Y339-H361 AromaticContact CE2-ND1 3.66Å; Y339-H361 AromaticContact CZ-ND1 3.69Å; Y339-H361 VanDerWaalsContact OH-CB 3.23Å; Y339-H361 WeakPolarHBondContact OH-CB 3.5Å; Y339-H361 VanDerWaalsContact OH-CG 3.24Å; Y339-H361 PolarHBondContact OH-ND1 2.71Å
340	R	93.8	Very high	91.7	Very high	97 Å²	97	34.3 Å²	34.3	37%	0.366	19%	0.192	S	C	.	.	H	α-helix	trans	-63.7	-29.3	173.7	-177.8	58.1	173.7	178.9	1.2	112.6	F156 L158 A314 R336 F338	F156-R340 PolarHBondContact O-NH2 3.14Å; L158-R340 HydrophobicContact CD1-CB 4.06Å; L158-R340 HydrophobicContact CD1-CG 3.85Å; L158-R340 HydrophobicContact CD2-CG 4.5Å; L158-R340 HydrophobicContact CG-CG 4.15Å; A314-R340 HydrophobicContact CB-CB 4.43Å; R336-R340 WeakPolarHBondContact O-CB 3.32Å; R336-R340 PolarHBondContact O-N 2.97Å; F338-R340 VanDerWaalsContact C-N 3.35Å; F338-R340 PolarHBondContact O-N 2.99Å
341	M	91.5	Very high	91.6	Very high	47 Å²	47	35.1 Å²	35.1	23%	0.232	20%	0.197	C	C	.	.	H	α-helix	trans	-78	-39.6	173.3	178.3	-177.3	-126.9	0	0	112.1	I150 L158 K178 Y192 V337 F338 Y339	I150-M341 HydrophobicContact CD1-CE 3.31Å; I150-M341 HydrophobicContact CD1-SD 3.14Å; I150-M341 WeakPolarHBondContact CD1-SD 3.02Å; I150-M341 HydrophobicContact CG1-CE 3.29Å; I150-M341 HydrophobicContact CG1-SD 3.65Å; L158-M341 HydrophobicContact CD1-CB 4.19Å; K178-M341 HydrophobicContact CB-CE 3.97Å; K178-M341 HydrophobicContact CB-SD 4.31Å; Y192-M341 HydrophobicContact CD1-CG 4.13Å; Y192-M341 HydrophobicContact CD1-SD 3.56Å; Y192-M341 VanDerWaalsContact CD1-SD 3.56Å; Y192-M341 HydrophobicContact CE1-CE 4.28Å; Y192-M341 HydrophobicContact CE1-CG 3.79Å; Y192-M341 HydrophobicContact CE1-SD 3.6Å; V337-M341 PolarHBondContact O-N 3.07Å; F338-M341 WeakPolarHBondContact O-CB 3.18Å; F338-M341 PolarHBondContact O-N 2.76Å; F338-M341 VanDerWaalsContact O-N 3.08Å; Y339-M341 PolarHBondContact O-N 3.42Å
342	T	94.8	Very high	91.5	Very high	14 Å²	14	35 Å²	35	9%	0.086	20%	0.197	C	C	.	.	H	α-helix	trans	-99.3	-25.1	-164.9	63.1	0	0	0	0	114.2	Y192 F338 Y339 Y352	Y192-T342 HydrophobicContact CD1-CG2 3.74Å; Y192-T342 HydrophobicContact CD2-CG2 4.07Å; Y192-T342 HydrophobicContact CE1-CG2 4.27Å; Y192-T342 HydrophobicContact CG-CG2 3.61Å; F338-T342 HydrophobicContact CD2-CG2 4.4Å; F338-T342 HydrophobicContact CE1-CG2 4.38Å; F338-T342 HydrophobicContact CE2-CG2 4.22Å; F338-T342 HydrophobicContact CZ-CG2 4.21Å; F338-T342 VanDerWaalsContact O-CG2 3.29Å; F338-T342 WeakPolarHBondContact O-CG2 3.33Å; F338-T342 PolarHBondContact O-N 3.2Å; F338-T342 PolarHBondContact O-OG1 2.89Å; F338-T342 VanDerWaalsContact O-OG1 3.14Å; Y339-T342 WeakPolarHBondContact CA-OG1 3.27Å; Y339-T342 PolarHBondContact O-N 3.04Å; T342-Y352 WeakPolarHBondContact CB-OH 3.24Å; T342-Y352 HydrophobicContact CG2-CE1 3.57Å; T342-Y352 PolarHBondContact OG1-OH 3.38Å
343	E	92.4	Very high	91.4	Very high	17 Å²	17	35.9 Å²	35.9	8%	0.079	21%	0.206	C	C	.	.			trans	-98.5	105	178.6	-58.1	-177.4	155.2	0	0	109.1	G313 A314 Y339	G313-E343 WeakPolarHBondContact CA-OE2 3.14Å; G313-E343 PolarHBondContact N-OE1 3.05Å; G313-E343 PolarHBondContact N-OE2 2.76Å; A314-E343 PolarHBondContact N-OE2 3.32Å; Y339-E343 HydrophobicContact CD1-CG 4.08Å; Y339-E343 WeakPolarHBondContact CD1-OE1 3.43Å; Y339-E343 WeakPolarHBondContact O-CA 3.41Å; Y339-E343 WeakPolarHBondContact O-CB 3.17Å; Y339-E343 PolarHBondContact O-N 2.94Å
344	G	76	Confident	91.3	Very high	48 Å²	48	37.1 Å²	37.1	50%	0.495	22%	0.215	S	C	.	.			trans	-94.2	-154	179.8	0	0	0	0	0	113.4	N346 G347	G344-N346 PolarHBondContact O-N 3.3Å; G344-N346 VanDerWaalsContact O-N 3.13Å; G344-G347 PolarHBondContact O-N 3.37Å
345	S	68.1	Low	91.2	Very high	107 Å²	107	39.7 Å²	39.7	75%	0.748	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.4	173.3	47.4	0	0	0	0	113.7	G347	S345-G347 VanDerWaalsContact C-N 3.26Å; S345-G347 PolarHBondContact O-N 2.89Å
346	N	67.5	Low	91.2	Very high	159 Å²	159	41 Å²	41	85%	0.85	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.5	-178.4	-63.2	-18.8	0	0	0	114.2	G344	G344-N346 PolarHBondContact O-N 3.3Å; G344-N346 VanDerWaalsContact O-N 3.13Å
347	G	82.7	Confident	91.3	Very high	27 Å²	27	40.8 Å²	40.8	28%	0.278	24%	0.235	S	C	.	.			trans	86.4	-146	-178.6	0	0	0	0	0	112.9	G344 S345	G344-G347 PolarHBondContact O-N 3.37Å; S345-G347 VanDerWaalsContact C-N 3.26Å; S345-G347 PolarHBondContact O-N 2.89Å
348	Y	91.2	Very high	91.3	Very high	46 Å²	46	40.6 Å²	40.6	18%	0.18	23%	0.234	C	C	.	.			trans	-62.5	137.3	-175.5	-56.2	-73.1	0	0	0	112.6	I316 S384 A385	I316-Y348 VanDerWaalsContact CD1-OH 3.26Å; I316-Y348 WeakPolarHBondContact CD1-OH 3.1Å; Y348-S384 VanDerWaalsContact OH-CB 3.28Å; Y348-S384 WeakPolarHBondContact OH-CB 3.12Å; Y348-A385 VanDerWaalsContact CD1-CA 3.47Å; Y348-A385 HydrophobicContact CD1-CB 3.46Å; Y348-A385 VanDerWaalsContact CD1-CB 3.46Å; Y348-A385 VanDerWaalsContact CE1-CA 3.48Å; Y348-A385 HydrophobicContact CE1-CB 3.93Å; Y348-A385 HydrophobicContact CG-CB 3.79Å
349	R	94.6	Very high	91.3	Very high	88 Å²	88	43.4 Å²	43.4	33%	0.332	25%	0.247	S	C	.	.			trans	-98.4	107.5	167.6	-179.8	169.5	-177.6	135.5	-3	108.7	C351 Y352 Q357	R349-C351 WeakPolarHBondContact CG-O 3.39Å; R349-C351 PolarHBondContact NE-O 3.28Å; R349-Y352 HydrophobicContact CG-CE1 4.15Å; R349-Q357 VanDerWaalsContact O-CB 3.24Å; R349-Q357 WeakPolarHBondContact O-CB 3.24Å; R349-Q357 WeakPolarHBondContact O-CG 3.37Å
350	L	95.1	Very high	91.4	Very high	42 Å²	42	43.9 Å²	43.9	22%	0.22	25%	0.25	C	C	.	.			trans	-83.9	-12.9	-173.8	-60	-177.8	0	0	0	114.6	L114 Q357 A385 Y386 M393	L114-L350 HydrophobicContact CD1-CB 3.85Å; L114-L350 HydrophobicContact CD1-CD1 4.12Å; L114-L350 HydrophobicContact CD2-CB 4.35Å; L350-Q357 PolarHBondContact O-N 3.07Å; L350-A385 HydrophobicContact CD2-CB 4.09Å; L350-Y386 HydrophobicContact CD2-CE2 4.09Å; L350-M393 HydrophobicContact CD1-CE 3.95Å
351	C	96.8	Very high	91.6	Very high	28 Å²	28	39.3 Å²	39.3	19%	0.189	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.9	-179.7	-62.3	0	0	0	0	112	C116 R349 E355	C116-C351 WeakPolarHBondContact CA-SG 3.35Å; C116-C351 HydrophobicContact CB-CB 3.71Å; C116-C351 WeakPolarHBondContact CB-SG 3.36Å; C116-C351 WeakPolarHBondContact SG-CB 3.39Å; C116-C351 CovalentContact SG-SG 2.05Å; C116-C351 PolarHBondContact SG-SG 2.89Å; R349-C351 WeakPolarHBondContact CG-O 3.39Å; R349-C351 PolarHBondContact NE-O 3.28Å; C351-E355 WeakPolarHBondContact CA-O 3.27Å
352	Y	96.8	Very high	91.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	82.4	171.6	-65.1	-82.2	0	0	0	108.8	N121 N191 Y192 F338 T342 R349 S354 E355 Q357 V360	N121-Y352 PolarHBondContact ND2-O 3.38Å; N121-Y352 PolarHBondContact OD1-O 3.08Å; N191-Y352 VanDerWaalsContact ND2-C 3.26Å; N191-Y352 PolarHBondContact ND2-O 2.85Å; N191-Y352 VanDerWaalsContact OD1-C 3.24Å; N191-Y352 WeakPolarHBondContact OD1-CA 3.41Å; Y192-Y352 HydrophobicContact CD2-CD1 4.38Å; F338-Y352 HydrophobicContact CE1-CD1 4.22Å; F338-Y352 HydrophobicContact CE1-CD2 4.32Å; F338-Y352 AromaticContact CE1-CE1 3.6Å; F338-Y352 HydrophobicContact CE1-CE1 3.6Å; F338-Y352 AromaticContact CE1-CE2 3.73Å; F338-Y352 HydrophobicContact CE1-CE2 3.73Å; F338-Y352 AromaticContact CE1-CZ 3.31Å; F338-Y352 WeakPolarHBondContact CE1-OH 3.47Å; F338-Y352 AromaticContact CZ-CD1 3.8Å; F338-Y352 HydrophobicContact CZ-CD1 3.8Å; F338-Y352 HydrophobicContact CZ-CD2 4.47Å; F338-Y352 AromaticContact CZ-CE1 3.53Å; F338-Y352 HydrophobicContact CZ-CE1 3.53Å; F338-Y352 HydrophobicContact CZ-CE2 4.25Å; F338-Y352 HydrophobicContact CZ-CG 4.25Å; F338-Y352 AromaticContact CZ-CZ 3.77Å; T342-Y352 WeakPolarHBondContact CB-OH 3.24Å; T342-Y352 HydrophobicContact CG2-CE1 3.57Å; T342-Y352 PolarHBondContact OG1-OH 3.38Å; R349-Y352 HydrophobicContact CG-CE1 4.15Å; Y352-S354 PolarHBondContact O-N 2.92Å; Y352-E355 PolarHBondContact N-O 3.36Å; Y352-E355 PolarHBondContact O-N 2.83Å; Y352-Q357 HydrophobicContact CD2-CB 4.16Å; Y352-Q357 HydrophobicContact CE2-CB 3.73Å; Y352-Q357 HydrophobicContact CE2-CG 3.69Å; Y352-V360 HydrophobicContact CD2-CB 4.32Å; Y352-V360 HydrophobicContact CD2-CG2 3.9Å; Y352-V360 HydrophobicContact CG-CG2 4.36Å
353	G	96.3	Very high	92.1	Very high	21 Å²	21	39.2 Å²	39.2	22%	0.216	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-121.4	-168.3	0	0	0	0	0	110.1	C116 A117 N121 N191	C116-G353 WeakPolarHBondContact CB-O 3.47Å; A117-G353 VanDerWaalsContact CB-C 3.44Å; A117-G353 VanDerWaalsContact CB-O 3.32Å; A117-G353 WeakPolarHBondContact CB-O 3.45Å; A117-G353 PolarHBondContact N-O 3.14Å; N121-G353 VanDerWaalsContact OD1-CA 3.24Å; N121-G353 WeakPolarHBondContact OD1-CA 3.39Å; N191-G353 PolarHBondContact ND2-N 2.95Å; N191-G353 PolarHBondContact OD1-N 3.29Å
354	S	96.7	Very high	92.4	Very high	27 Å²	27	38.5 Å²	38.5	19%	0.189	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.8	177.5	59.2	0	0	0	0	114.4	C116 A117 E119 D120 N121 Y352	C116-S354 WeakPolarHBondContact CB-O 3.47Å; A117-S354 WeakPolarHBondContact O-CA 3.31Å; A117-S354 WeakPolarHBondContact O-CB 3.41Å; E119-S354 WeakPolarHBondContact O-CB 3.48Å; D120-S354 WeakPolarHBondContact CA-OG 3.31Å; N121-S354 PolarHBondContact N-OG 3.28Å; N121-S354 PolarHBondContact OD1-N 2.86Å; Y352-S354 PolarHBondContact O-N 2.92Å
355	E	96.7	Very high	93.4	Very high	56 Å²	56	36.2 Å²	36.2	26%	0.262	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.7	-173.1	-66.3	178.5	117	0	0	112.3	N121 C351 Y352 V360	N121-E355 PolarHBondContact ND2-OE2 3.46Å; C351-E355 WeakPolarHBondContact CA-O 3.27Å; Y352-E355 PolarHBondContact N-O 3.36Å; Y352-E355 PolarHBondContact O-N 2.83Å; E355-V360 HydrophobicContact CB-CG2 3.8Å
356	P	97.4	Very high	94.8	Very high	27 Å²	27	32.2 Å²	32.2	18%	0.175	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.1	166	-24.6	35.7	0	0	0	112.2	L114 I358 Q359 V360	L114-P356 HydrophobicContact CD2-CB 3.91Å; L114-P356 HydrophobicContact CD2-CG 4.31Å; P356-I358 VanDerWaalsContact C-N 3.25Å; P356-I358 HydrophobicContact CB-CG2 4.15Å; P356-I358 PolarHBondContact O-N 3.18Å; P356-Q359 HydrophobicContact CB-CB 4.39Å; P356-Q359 WeakPolarHBondContact O-CB 3.3Å; P356-Q359 PolarHBondContact O-N 2.97Å; P356-V360 PolarHBondContact O-N 2.55Å; P356-V360 VanDerWaalsContact O-N 3.09Å
357	Q	97.5	Very high	96.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.3	-39.2	178.9	176.7	-90.3	5.6	0	0	113.2	D312 Y339 R349 L350 Y352 Q359 V360 H361 Y386	D312-Q357 PolarHBondContact OD2-NE2 2.84Å; Y339-Q357 HydrophobicContact CE1-CG 3.75Å; Y339-Q357 VanDerWaalsContact CE1-NE2 3.29Å; Y339-Q357 VanDerWaalsContact CZ-NE2 3.28Å; Y339-Q357 PolarHBondContact OH-NE2 3.41Å; R349-Q357 VanDerWaalsContact O-CB 3.24Å; R349-Q357 WeakPolarHBondContact O-CB 3.24Å; R349-Q357 WeakPolarHBondContact O-CG 3.37Å; L350-Q357 PolarHBondContact O-N 3.07Å; Y352-Q357 HydrophobicContact CD2-CB 4.16Å; Y352-Q357 HydrophobicContact CE2-CB 3.73Å; Y352-Q357 HydrophobicContact CE2-CG 3.69Å; Q357-Q359 VanDerWaalsContact C-N 3.26Å; Q357-Q359 PolarHBondContact O-N 2.85Å; Q357-V360 PolarHBondContact O-N 3.05Å; Q357-H361 PolarHBondContact O-N 2.92Å; Q357-Y386 VanDerWaalsContact OE1-CE2 3.31Å
358	I	97.6	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-38.6	-179.8	-174.5	62.6	0	0	0	110.4	P356 H361 L362 H383 Y386 A397 D400 V401	P356-I358 VanDerWaalsContact C-N 3.25Å; P356-I358 HydrophobicContact CB-CG2 4.15Å; P356-I358 PolarHBondContact O-N 3.18Å; I358-H361 PolarHBondContact O-N 3.48Å; I358-L362 HydrophobicContact CD1-CD1 4.17Å; I358-L362 HydrophobicContact CD1-CG 4.27Å; I358-L362 HydrophobicContact CG1-CD1 3.84Å; I358-L362 HydrophobicContact CG1-CG 4.36Å; I358-L362 WeakPolarHBondContact O-CB 3.43Å; I358-L362 WeakPolarHBondContact O-CG 3.23Å; I358-L362 PolarHBondContact O-N 2.7Å; I358-H383 WeakPolarHBondContact CD1-ND1 3.29Å; I358-Y386 HydrophobicContact CB-CD2 4.19Å; I358-Y386 HydrophobicContact CB-CE2 3.66Å; I358-Y386 HydrophobicContact CG2-CE2 4.08Å; I358-A397 HydrophobicContact CG1-CB 4.07Å; I358-D400 HydrophobicContact CG2-CB 4.03Å; I358-D400 WeakPolarHBondContact CG2-OD2 3.5Å; I358-V401 HydrophobicContact CD1-CG2 4.46Å; I358-V401 HydrophobicContact CG1-CG2 4.36Å
359	Q	97.6	Very high	97.3	Very high	61 Å²	61	22.2 Å²	22.2	29%	0.285	12%	0.119	S	C	.	.	H	α-helix	trans	-67	-45	176.6	-168.9	-176.5	15.7	0	0	111	P356 Q357 H361 L362 N363	P356-Q359 HydrophobicContact CB-CB 4.39Å; P356-Q359 WeakPolarHBondContact O-CB 3.3Å; P356-Q359 PolarHBondContact O-N 2.97Å; Q357-Q359 VanDerWaalsContact C-N 3.26Å; Q357-Q359 PolarHBondContact O-N 2.85Å; Q359-H361 VanDerWaalsContact C-N 3.29Å; Q359-H361 PolarHBondContact O-N 2.64Å; Q359-L362 PolarHBondContact O-N 3.31Å; Q359-N363 VanDerWaalsContact O-CB 3.23Å; Q359-N363 WeakPolarHBondContact O-CB 3.48Å; Q359-N363 PolarHBondContact O-N 3.23Å; Q359-N363 PolarHBondContact O-ND2 2.89Å
360	V	97.9	Very high	97.4	Very high	10 Å²	10	20.5 Å²	20.5	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-56.5	-44.6	175.1	176	0	0	0	0	111	A194 M335 F338 Y352 E355 P356 Q357 Y364	A194-V360 HydrophobicContact CB-CG1 4.14Å; M335-V360 HydrophobicContact CE-CG1 4.33Å; F338-V360 HydrophobicContact CE1-CG1 3.93Å; F338-V360 HydrophobicContact CZ-CG1 4.05Å; Y352-V360 HydrophobicContact CD2-CB 4.32Å; Y352-V360 HydrophobicContact CD2-CG2 3.9Å; Y352-V360 HydrophobicContact CG-CG2 4.36Å; E355-V360 HydrophobicContact CB-CG2 3.8Å; P356-V360 PolarHBondContact O-N 2.55Å; P356-V360 VanDerWaalsContact O-N 3.09Å; Q357-V360 PolarHBondContact O-N 3.05Å; V360-Y364 PolarHBondContact O-N 3.39Å; V360-Y364 VanDerWaalsContact O-N 3.14Å
361	H	98.4	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-50.2	177.3	-159.1	150.8	0	0	0	112.4	M335 Y339 Q357 I358 Q359 N363 Y364 V365 Q381 H383	M335-H361 HydrophobicContact CE-CB 4.22Å; M335-H361 HydrophobicContact SD-CB 4.28Å; M335-H361 PolarHBondContact SD-CD2 2.85Å; Y339-H361 AromaticContact CE2-CE1 3.97Å; Y339-H361 AromaticContact CE2-ND1 3.66Å; Y339-H361 AromaticContact CZ-ND1 3.69Å; Y339-H361 VanDerWaalsContact OH-CB 3.23Å; Y339-H361 WeakPolarHBondContact OH-CB 3.5Å; Y339-H361 VanDerWaalsContact OH-CG 3.24Å; Y339-H361 PolarHBondContact OH-ND1 2.71Å; Q357-H361 PolarHBondContact O-N 2.92Å; I358-H361 PolarHBondContact O-N 3.48Å; Q359-H361 VanDerWaalsContact C-N 3.29Å; Q359-H361 PolarHBondContact O-N 2.64Å; H361-N363 VanDerWaalsContact C-N 3.31Å; H361-N363 PolarHBondContact O-N 2.82Å; H361-Y364 WeakPolarHBondContact O-CB 3.46Å; H361-Y364 PolarHBondContact O-N 3.41Å; H361-V365 PolarHBondContact O-N 3.31Å; H361-Q381 PolarHBondContact NE2-OE1 3.17Å; H361-H383 AromaticContact CD2-CE1 3.59Å; H361-H383 AromaticContact CE1-CE1 3.57Å; H361-H383 AromaticContact CE1-ND1 3.69Å; H361-H383 AromaticContact CG-CE1 3.25Å; H361-H383 AromaticContact CG-ND1 3.74Å; H361-H383 AromaticContact ND1-CE1 3.26Å; H361-H383 PolarHBondContact ND1-CE1 2.02Å; H361-H383 VanDerWaalsContact ND1-CE1 3.26Å; H361-H383 AromaticContact ND1-ND1 3.28Å; H361-H383 PolarHBondContact ND1-ND1 3.31Å; H361-H383 AromaticContact NE2-CE1 3.78Å
362	L	98.6	Very high	97.5	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-37.1	-178.9	-65.6	171.5	0	0	0	111.4	L221 I358 Q359 Y364 V365 N366 D400 V401 H404	L221-L362 HydrophobicContact CD1-CD2 4.01Å; I358-L362 HydrophobicContact CD1-CD1 4.17Å; I358-L362 HydrophobicContact CD1-CG 4.27Å; I358-L362 HydrophobicContact CG1-CD1 3.84Å; I358-L362 HydrophobicContact CG1-CG 4.36Å; I358-L362 WeakPolarHBondContact O-CB 3.43Å; I358-L362 WeakPolarHBondContact O-CG 3.23Å; I358-L362 PolarHBondContact O-N 2.7Å; Q359-L362 PolarHBondContact O-N 3.31Å; L362-Y364 VanDerWaalsContact C-N 3.34Å; L362-Y364 PolarHBondContact O-N 3.35Å; L362-V365 WeakPolarHBondContact O-CB 3.2Å; L362-V365 PolarHBondContact O-N 3.45Å; L362-V365 VanDerWaalsContact O-N 3.08Å; L362-N366 PolarHBondContact O-N 3.2Å; L362-N366 VanDerWaalsContact O-N 3.11Å; L362-N366 PolarHBondContact O-ND2 3.23Å; L362-D400 HydrophobicContact CD1-CB 4.32Å; L362-V401 HydrophobicContact CD1-CG2 3.96Å; L362-H404 HydrophobicContact CB-CB 4.08Å; L362-H404 HydrophobicContact CD1-CB 3.85Å; L362-H404 HydrophobicContact CD2-CB 4.34Å; L362-H404 HydrophobicContact CG-CB 4.31Å; L362-H404 PolarHBondContact O-CE1 3.22Å
363	N	97.6	Very high	97.3	Very high	56 Å²	56	25.3 Å²	25.3	30%	0.299	14%	0.14	S	C	.	.	H	α-helix	trans	-63.9	-35.9	175.2	-76.1	-13.6	0	0	0	112.9	Q359 H361 V365 N366 D367	Q359-N363 VanDerWaalsContact O-CB 3.23Å; Q359-N363 WeakPolarHBondContact O-CB 3.48Å; Q359-N363 PolarHBondContact O-N 3.23Å; Q359-N363 PolarHBondContact O-ND2 2.89Å; H361-N363 VanDerWaalsContact C-N 3.31Å; H361-N363 PolarHBondContact O-N 2.82Å; N363-V365 PolarHBondContact O-N 2.92Å; N363-N366 WeakPolarHBondContact O-CB 3.44Å; N363-N366 PolarHBondContact O-N 3.08Å; N363-D367 PolarHBondContact O-N 3.24Å
364	Y	98.3	Very high	97.2	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-34.4	172.7	-175.9	-113.8	0	0	0	112.1	D175 F176 A194 N195 V196 L308 H333 M335 V360 H361 L362 F368	D175-Y364 HydrophobicContact CB-CE2 4.08Å; D175-Y364 PolarHBondContact OD2-OH 3.48Å; F176-Y364 HydrophobicContact CE1-CD2 4.24Å; F176-Y364 AromaticContact CE1-CE2 3.75Å; F176-Y364 HydrophobicContact CE1-CE2 3.75Å; F176-Y364 AromaticContact CE1-CZ 3.94Å; F176-Y364 HydrophobicContact CZ-CE1 4.31Å; F176-Y364 AromaticContact CZ-CE2 3.9Å; F176-Y364 HydrophobicContact CZ-CE2 3.9Å; F176-Y364 AromaticContact CZ-CZ 3.64Å; F176-Y364 WeakPolarHBondContact CZ-OH 3.32Å; A194-Y364 HydrophobicContact CB-CD2 4.46Å; N195-Y364 VanDerWaalsContact O-CE2 3.26Å; N195-Y364 WeakPolarHBondContact O-CE2 3.28Å; V196-Y364 HydrophobicContact CG2-CD2 3.77Å; V196-Y364 HydrophobicContact CG2-CE2 3.56Å; V196-Y364 HydrophobicContact CG2-CG 4.47Å; V196-Y364 WeakPolarHBondContact CG2-O 3.32Å; L308-Y364 HydrophobicContact CD1-CD1 3.94Å; L308-Y364 HydrophobicContact CD1-CE1 3.67Å; L308-Y364 HydrophobicContact CD2-CD1 4.38Å; L308-Y364 HydrophobicContact CD2-CE1 4.03Å; L308-Y364 HydrophobicContact CG-CE1 3.96Å; H333-Y364 HydrophobicContact CB-CE1 4.49Å; H333-Y364 WeakPolarHBondContact CB-OH 3.39Å; M335-Y364 HydrophobicContact CB-CD1 3.97Å; M335-Y364 HydrophobicContact CB-CE1 3.75Å; M335-Y364 HydrophobicContact CE-CD1 4.47Å; M335-Y364 HydrophobicContact CE-CG 4.28Å; M335-Y364 HydrophobicContact CG-CD1 3.91Å; M335-Y364 HydrophobicContact CG-CE1 4.06Å; M335-Y364 HydrophobicContact CG-CG 4.48Å; M335-Y364 HydrophobicContact SD-CD1 3.44Å; M335-Y364 WeakPolarHBondContact SD-CD1 3.36Å; M335-Y364 HydrophobicContact SD-CE1 4.2Å; M335-Y364 HydrophobicContact SD-CG 3.81Å; V360-Y364 PolarHBondContact O-N 3.39Å; V360-Y364 VanDerWaalsContact O-N 3.14Å; H361-Y364 WeakPolarHBondContact O-CB 3.46Å; H361-Y364 PolarHBondContact O-N 3.41Å; L362-Y364 VanDerWaalsContact C-N 3.34Å; L362-Y364 PolarHBondContact O-N 3.35Å; Y364-F368 WeakPolarHBondContact O-CB 3.45Å; Y364-F368 PolarHBondContact O-N 3.21Å
365	V	98.5	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.3	-41.9	172.1	-175.5	0	0	0	0	111.4	Y219 H361 L362 N363 D367 F368 F369 Q381	Y219-V365 HydrophobicContact CE1-CG1 4.22Å; Y219-V365 HydrophobicContact CE2-CG1 4.05Å; H361-V365 PolarHBondContact O-N 3.31Å; L362-V365 WeakPolarHBondContact O-CB 3.2Å; L362-V365 PolarHBondContact O-N 3.45Å; L362-V365 VanDerWaalsContact O-N 3.08Å; N363-V365 PolarHBondContact O-N 2.92Å; V365-D367 VanDerWaalsContact C-N 3.31Å; V365-D367 PolarHBondContact O-N 2.82Å; V365-F368 WeakPolarHBondContact O-CB 3.27Å; V365-F368 PolarHBondContact O-N 2.9Å; V365-F368 VanDerWaalsContact O-N 3.15Å; V365-F369 HydrophobicContact CG1-CD2 3.77Å; V365-F369 HydrophobicContact CG1-CE2 3.77Å; V365-F369 WeakPolarHBondContact O-CD2 3.44Å; V365-F369 PolarHBondContact O-N 3.46Å; V365-Q381 VanDerWaalsContact CG2-CD 3.44Å; V365-Q381 HydrophobicContact CG2-CG 3.35Å
366	N	97.5	Very high	97	Very high	23 Å²	23	33.2 Å²	33.2	12%	0.123	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-42.1	177.2	-67.1	-32.2	0	0	0	111.8	L362 N363 F369 S370 H404 L408	L362-N366 PolarHBondContact O-N 3.2Å; L362-N366 VanDerWaalsContact O-N 3.11Å; L362-N366 PolarHBondContact O-ND2 3.23Å; N363-N366 WeakPolarHBondContact O-CB 3.44Å; N363-N366 PolarHBondContact O-N 3.08Å; N366-F369 PolarHBondContact O-N 2.83Å; N366-S370 WeakPolarHBondContact O-CB 3.34Å; N366-S370 PolarHBondContact O-N 3.29Å; N366-S370 PolarHBondContact O-OG 3.36Å; N366-H404 PolarHBondContact ND2-ND1 3.45Å; N366-H404 PolarHBondContact OD1-CE1 3.42Å; N366-H404 PolarHBondContact OD1-ND1 3.46Å; N366-H404 VanDerWaalsContact OD1-ND1 3.1Å; N366-L408 WeakPolarHBondContact OD1-CD2 3.42Å
367	D	97.2	Very high	97	Very high	23 Å²	23	32.1 Å²	32.1	12%	0.123	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-43	173.1	-84.9	2.2	0	0	0	111.5	V196 N363 V365 F369 S370 A371	V196-D367 HydrophobicContact CB-CB 3.96Å; V196-D367 HydrophobicContact CG2-CB 3.91Å; N363-D367 PolarHBondContact O-N 3.24Å; V365-D367 VanDerWaalsContact C-N 3.31Å; V365-D367 PolarHBondContact O-N 2.82Å; D367-F369 PolarHBondContact O-N 2.79Å; D367-S370 CarbonylContact O-C 3.58Å; D367-S370 PolarHBondContact O-N 3.15Å; D367-A371 VanDerWaalsContact O-CB 3.31Å; D367-A371 WeakPolarHBondContact O-CB 3.36Å; D367-A371 PolarHBondContact O-N 3.23Å
368	F	98.4	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-45.8	175.9	178	-113.5	0	0	0	112.8	V196 A306 L308 H333 Y364 V365 S370 A371 Y372 K377 A379	V196-F368 HydrophobicContact CG2-CB 3.89Å; A306-F368 HydrophobicContact CB-CE2 3.87Å; A306-F368 HydrophobicContact CB-CZ 3.75Å; L308-F368 HydrophobicContact CB-CD1 4.1Å; L308-F368 HydrophobicContact CB-CD2 4.16Å; L308-F368 HydrophobicContact CB-CE1 3.88Å; L308-F368 HydrophobicContact CB-CE2 3.99Å; L308-F368 HydrophobicContact CB-CG 4.22Å; L308-F368 HydrophobicContact CB-CZ 3.84Å; L308-F368 HydrophobicContact CD1-CB 3.49Å; L308-F368 VanDerWaalsContact CD1-CB 3.49Å; L308-F368 HydrophobicContact CD1-CD1 3.82Å; L308-F368 HydrophobicContact CD1-CD2 3.77Å; L308-F368 HydrophobicContact CD1-CE1 4.45Å; L308-F368 HydrophobicContact CD1-CE2 4.44Å; L308-F368 HydrophobicContact CD1-CG 3.43Å; L308-F368 VanDerWaalsContact CD1-CG 3.43Å; L308-F368 HydrophobicContact CG-CG 4.46Å; H333-F368 AromaticContact CD2-CD2 3.82Å; H333-F368 AromaticContact CD2-CE2 3.76Å; Y364-F368 WeakPolarHBondContact O-CB 3.45Å; Y364-F368 PolarHBondContact O-N 3.21Å; V365-F368 WeakPolarHBondContact O-CB 3.27Å; V365-F368 PolarHBondContact O-N 2.9Å; V365-F368 VanDerWaalsContact O-N 3.15Å; F368-S370 VanDerWaalsContact C-N 3.26Å; F368-S370 PolarHBondContact O-N 3.33Å; F368-A371 PolarHBondContact O-N 3.03Å; F368-Y372 AromaticContact CD2-CD2 3.52Å; F368-Y372 HydrophobicContact CD2-CD2 3.52Å; F368-Y372 AromaticContact CD2-CE2 3.66Å; F368-Y372 HydrophobicContact CD2-CE2 3.66Å; F368-Y372 AromaticContact CE2-CD2 3.49Å; F368-Y372 HydrophobicContact CE2-CD2 3.49Å; F368-Y372 VanDerWaalsContact CE2-CD2 3.49Å; F368-Y372 AromaticContact CE2-CE2 3.69Å; F368-Y372 HydrophobicContact CE2-CE2 3.69Å; F368-Y372 HydrophobicContact CG-CD2 4.41Å; F368-Y372 HydrophobicContact CZ-CD2 4.4Å; F368-Y372 WeakPolarHBondContact O-CD2 3.44Å; F368-Y372 PolarHBondContact O-N 3.44Å; F368-K377 HydrophobicContact CD1-CG 4.42Å; F368-K377 HydrophobicContact CE1-CB 3.74Å; F368-K377 HydrophobicContact CE1-CG 3.78Å; F368-K377 HydrophobicContact CZ-CB 4.26Å; F368-K377 HydrophobicContact CZ-CG 4.11Å; F368-A379 HydrophobicContact CD1-CB 4.3Å; F368-A379 HydrophobicContact CE1-CB 4.1Å
369	F	97.8	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-34.8	176.6	-89.5	-100.2	0	0	0	112.1	N217 Y219 V365 N366 D367 K377 A379 L408 F413 T417	N217-F369 HydrophobicContact CB-CE1 4.45Å; Y219-F369 HydrophobicContact CD1-CE2 4.45Å; Y219-F369 HydrophobicContact CD1-CZ 4.47Å; Y219-F369 HydrophobicContact CG-CE2 4.36Å; Y219-F369 HydrophobicContact CG-CZ 4.35Å; V365-F369 HydrophobicContact CG1-CD2 3.77Å; V365-F369 HydrophobicContact CG1-CE2 3.77Å; V365-F369 WeakPolarHBondContact O-CD2 3.44Å; V365-F369 PolarHBondContact O-N 3.46Å; N366-F369 PolarHBondContact O-N 2.83Å; D367-F369 PolarHBondContact O-N 2.79Å; F369-K377 HydrophobicContact CD1-CD 3.67Å; F369-K377 HydrophobicContact CE1-CD 3.89Å; F369-K377 HydrophobicContact CG-CD 4.02Å; F369-K377 HydrophobicContact CZ-CD 4.4Å; F369-K377 WeakPolarHBondContact O-CE 3.15Å; F369-K377 PolarHBondContact O-NZ 2.9Å; F369-A379 HydrophobicContact CE2-CB 4.44Å; F369-L408 HydrophobicContact CB-CD2 4.47Å; F369-L408 HydrophobicContact CD1-CD2 4.49Å; F369-L408 HydrophobicContact CD2-CD2 4.42Å; F369-L408 HydrophobicContact CG-CD2 4.21Å; F369-F413 HydrophobicContact CB-CD1 4.09Å; F369-F413 HydrophobicContact CB-CD2 4.17Å; F369-F413 HydrophobicContact CB-CE1 4.06Å; F369-F413 HydrophobicContact CB-CE2 4.14Å; F369-F413 HydrophobicContact CB-CG 4.14Å; F369-F413 HydrophobicContact CB-CZ 4.09Å; F369-F413 HydrophobicContact CD1-CB 3.84Å; F369-F413 AromaticContact CD1-CD1 3.9Å; F369-F413 HydrophobicContact CD1-CD1 3.9Å; F369-F413 AromaticContact CD1-CG 3.89Å; F369-F413 HydrophobicContact CD1-CG 3.89Å; F369-F413 HydrophobicContact CE1-CB 4.36Å; F369-F413 HydrophobicContact CG-CD1 4.49Å; F369-F413 HydrophobicContact CG-CG 4.4Å; F369-F413 WeakPolarHBondContact O-CE1 3.3Å; F369-T417 HydrophobicContact CZ-CG2 4.42Å
370	S	96.3	Very high	97.2	Very high	51 Å²	51	29.2 Å²	29.2	36%	0.357	15%	0.145	S	C	.	.	H	α-helix	trans	-74.5	-40.5	178	-64.4	0	0	0	0	113.5	N366 D367 F368 Y372 K373	N366-S370 WeakPolarHBondContact O-CB 3.34Å; N366-S370 PolarHBondContact O-N 3.29Å; N366-S370 PolarHBondContact O-OG 3.36Å; D367-S370 CarbonylContact O-C 3.58Å; D367-S370 PolarHBondContact O-N 3.15Å; F368-S370 VanDerWaalsContact C-N 3.26Å; F368-S370 PolarHBondContact O-N 3.33Å; S370-Y372 VanDerWaalsContact C-N 3.32Å; S370-Y372 PolarHBondContact O-N 3.48Å; S370-K373 WeakPolarHBondContact O-CG 3.14Å
371	A	96.8	Very high	97.2	Very high	20 Å²	20	28.8 Å²	28.8	17%	0.165	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-35.3	179.7	0	0	0	0	0	112.3	V196 P198 D367 F368	V196-A371 HydrophobicContact CB-CB 4.46Å; V196-A371 HydrophobicContact CG1-CB 3.67Å; P198-A371 HydrophobicContact CB-CB 4.4Å; P198-A371 HydrophobicContact CG-CB 3.98Å; D367-A371 VanDerWaalsContact O-CB 3.31Å; D367-A371 WeakPolarHBondContact O-CB 3.36Å; D367-A371 PolarHBondContact O-N 3.23Å; F368-A371 PolarHBondContact O-N 3.03Å
372	Y	96.9	Very high	97.2	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.012	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	36.9	-172.5	-61.1	-66.1	0	0	0	113.7	V196 Q199 V202 I203 A306 H333 F368 S370 Q374 R375 K377	V196-Y372 HydrophobicContact CG1-CE2 4.01Å; Q199-Y372 PolarHBondContact N-OH 2.98Å; V202-Y372 HydrophobicContact CB-CE1 3.72Å; V202-Y372 HydrophobicContact CG1-CD1 3.86Å; V202-Y372 HydrophobicContact CG1-CE1 3.44Å; V202-Y372 VanDerWaalsContact CG1-CE1 3.44Å; I203-Y372 HydrophobicContact CG1-CD1 4.21Å; I203-Y372 HydrophobicContact CG1-CE1 3.95Å; A306-Y372 HydrophobicContact CB-CD1 4.32Å; A306-Y372 HydrophobicContact CB-CD2 4Å; A306-Y372 HydrophobicContact CB-CE2 4.5Å; A306-Y372 HydrophobicContact CB-CG 3.89Å; H333-Y372 AromaticContact CD2-CE2 3.69Å; H333-Y372 AromaticContact NE2-CE2 3.23Å; H333-Y372 WeakPolarHBondContact NE2-CE2 3Å; H333-Y372 AromaticContact NE2-CZ 3.36Å; H333-Y372 PolarHBondContact NE2-OH 3.14Å; F368-Y372 AromaticContact CD2-CD2 3.52Å; F368-Y372 HydrophobicContact CD2-CD2 3.52Å; F368-Y372 AromaticContact CD2-CE2 3.66Å; F368-Y372 HydrophobicContact CD2-CE2 3.66Å; F368-Y372 AromaticContact CE2-CD2 3.49Å; F368-Y372 HydrophobicContact CE2-CD2 3.49Å; F368-Y372 VanDerWaalsContact CE2-CD2 3.49Å; F368-Y372 AromaticContact CE2-CE2 3.69Å; F368-Y372 HydrophobicContact CE2-CE2 3.69Å; F368-Y372 HydrophobicContact CG-CD2 4.41Å; F368-Y372 HydrophobicContact CZ-CD2 4.4Å; F368-Y372 WeakPolarHBondContact O-CD2 3.44Å; F368-Y372 PolarHBondContact O-N 3.44Å; S370-Y372 VanDerWaalsContact C-N 3.32Å; S370-Y372 PolarHBondContact O-N 3.48Å; Y372-Q374 PolarHBondContact O-N 2.78Å; Y372-R375 PolarHBondContact O-N 3.33Å; Y372-R375 VanDerWaalsContact O-O 3.13Å; Y372-K377 WeakPolarHBondContact O-CE 3.17Å; Y372-K377 PolarHBondContact O-NZ 3.37Å
373	K	94.4	Very high	97.2	Very high	149 Å²	149	28.7 Å²	28.7	65%	0.648	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-36	-177.4	-77.1	175.6	-173	-173	0	115.1	S370 F413	S370-K373 WeakPolarHBondContact O-CG 3.14Å; K373-F413 HydrophobicContact CG-CE1 4.19Å
374	Q	92.8	Very high	97.2	Very high	181 Å²	181	26.2 Å²	26.2	85%	0.846	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	6.4	-177.2	-61.1	-179.7	-3.6	0	0	114.4	Y372	Y372-Q374 PolarHBondContact O-N 2.78Å
375	R	93.9	Very high	97	Very high	62 Å²	62	26.7 Å²	26.7	23%	0.234	13%	0.133	C	C	.	.	S	Bend	trans	-119.6	146.6	178.5	-62.4	-69.7	174.8	-144.7	7.3	110.2	I203 R205 Y372 K377	I203-R375 PolarHBondContact O-NE 3.41Å; I203-R375 PolarHBondContact O-NH2 2.79Å; R205-R375 PolarHBondContact O-NH2 3.31Å; Y372-R375 PolarHBondContact O-N 3.33Å; Y372-R375 VanDerWaalsContact O-O 3.13Å; R375-K377 WeakPolarHBondContact O-CE 3.46Å
376	L	95.7	Very high	96.9	Very high	27 Å²	27	26.9 Å²	26.9	14%	0.141	13%	0.134	C	C	.	.			trans	-67.9	143.4	168.4	-64.7	174.8	0	0	0	108.9	P215 N217 Y305 A306	P215-L376 HydrophobicContact CB-CD1 4.21Å; N217-L376 WeakPolarHBondContact OD1-CA 3.46Å; Y305-L376 CarbonylContact C-O 3.54Å; Y305-L376 VanDerWaalsContact CA-O 3.26Å; Y305-L376 WeakPolarHBondContact CA-O 3.44Å; Y305-L376 HydrophobicContact CD1-CB 3.69Å; Y305-L376 HydrophobicContact CD2-CB 4Å; Y305-L376 HydrophobicContact CD2-CD1 4.42Å; Y305-L376 HydrophobicContact CE1-CB 3.58Å; Y305-L376 HydrophobicContact CE1-CD1 4.32Å; Y305-L376 HydrophobicContact CE2-CB 3.91Å; Y305-L376 HydrophobicContact CE2-CD1 3.65Å; Y305-L376 HydrophobicContact CE2-CG 4.43Å; Y305-L376 HydrophobicContact CG-CB 3.9Å; A306-L376 PolarHBondContact N-O 3.41Å
377	K	97.8	Very high	96.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.017	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.4	-172.3	-69.5	144.5	-167.3	163.7	0	110.6	N217 L218 A306 F368 F369 Y372 R375	N217-K377 CarbonylContact C-O 3.58Å; N217-K377 VanDerWaalsContact CA-O 3.24Å; N217-K377 WeakPolarHBondContact CA-O 3.23Å; N217-K377 HydrophobicContact CB-CB 4.16Å; N217-K377 WeakPolarHBondContact CB-O 3.29Å; N217-K377 PolarHBondContact OD1-N 3.33Å; L218-K377 PolarHBondContact N-O 2.92Å; A306-K377 CarbonylContact O-C 3.58Å; A306-K377 WeakPolarHBondContact O-CA 2.92Å; F368-K377 HydrophobicContact CD1-CG 4.42Å; F368-K377 HydrophobicContact CE1-CB 3.74Å; F368-K377 HydrophobicContact CE1-CG 3.78Å; F368-K377 HydrophobicContact CZ-CB 4.26Å; F368-K377 HydrophobicContact CZ-CG 4.11Å; F369-K377 HydrophobicContact CD1-CD 3.67Å; F369-K377 HydrophobicContact CE1-CD 3.89Å; F369-K377 HydrophobicContact CG-CD 4.02Å; F369-K377 HydrophobicContact CZ-CD 4.4Å; F369-K377 WeakPolarHBondContact O-CE 3.15Å; F369-K377 PolarHBondContact O-NZ 2.9Å; Y372-K377 WeakPolarHBondContact O-CE 3.17Å; Y372-K377 PolarHBondContact O-NZ 3.37Å; R375-K377 WeakPolarHBondContact O-CE 3.46Å
378	F	98.6	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.6	159.8	175.7	-89.7	0	0	0	107.9	L218 I220 L269 I296 W297 L300 Y305 A306 T307 L308 F380	L218-F378 HydrophobicContact CB-CD2 3.76Å; L218-F378 HydrophobicContact CB-CE2 4.45Å; L218-F378 HydrophobicContact CD1-CD2 4.15Å; L218-F378 CarbonylContact O-C 3.51Å; L218-F378 VanDerWaalsContact O-CA 3.28Å; L218-F378 WeakPolarHBondContact O-CA 3.45Å; I220-F378 HydrophobicContact CD1-CE2 4.21Å; I220-F378 HydrophobicContact CD1-CZ 4.36Å; L269-F378 HydrophobicContact CD2-CZ 4.22Å; I296-F378 HydrophobicContact CG2-CE2 4.16Å; I296-F378 HydrophobicContact CG2-CZ 4.15Å; W297-F378 HydrophobicContact CB-CD1 3.75Å; W297-F378 HydrophobicContact CB-CE1 3.78Å; W297-F378 HydrophobicContact CB-CG 4.48Å; W297-F378 AromaticContact CE3-CE1 3.83Å; W297-F378 HydrophobicContact CE3-CE1 3.83Å; W297-F378 HydrophobicContact CE3-CZ 4.27Å; L300-F378 HydrophobicContact CD1-CB 3.95Å; L300-F378 HydrophobicContact CD1-CD2 3.31Å; L300-F378 HydrophobicContact CD1-CE2 3.99Å; L300-F378 HydrophobicContact CD1-CG 3.74Å; Y305-F378 HydrophobicContact CD1-CB 4.31Å; A306-F378 PolarHBondContact O-N 3Å; T307-F378 CarbonylContact C-O 3.58Å; T307-F378 WeakPolarHBondContact CA-O 3.22Å; T307-F378 HydrophobicContact CG2-CB 4.33Å; L308-F378 PolarHBondContact N-O 3.32Å; F378-F380 HydrophobicContact CE1-CB 3.94Å; F378-F380 HydrophobicContact CZ-CB 4.08Å
379	A	98.9	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.2	175.1	0	0	0	0	0	109.6	L218 Y219 I220 L308 F368 F369	L218-A379 PolarHBondContact O-N 3.34Å; Y219-A379 CarbonylContact C-O 3.53Å; Y219-A379 WeakPolarHBondContact CA-O 3.45Å; Y219-A379 HydrophobicContact CD2-CB 3.77Å; Y219-A379 HydrophobicContact CE2-CB 4.39Å; I220-A379 PolarHBondContact N-O 3.14Å; L308-A379 HydrophobicContact CB-CB 4.3Å; L308-A379 WeakPolarHBondContact O-CA 3.45Å; F368-A379 HydrophobicContact CD1-CB 4.3Å; F368-A379 HydrophobicContact CE1-CB 4.1Å; F369-A379 HydrophobicContact CE2-CB 4.44Å
380	F	98.9	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.2	170.3	175.9	-135.1	0	0	0	109	I220 A222 I265 L269 W297 L308 Y309 G310 F378 F382	I220-F380 HydrophobicContact CB-CD2 3.73Å; I220-F380 HydrophobicContact CB-CE2 4.49Å; I220-F380 HydrophobicContact CG2-CD2 3.58Å; I220-F380 HydrophobicContact CG2-CE2 3.84Å; I220-F380 WeakPolarHBondContact O-CA 3.46Å; A222-F380 HydrophobicContact CB-CE2 3.75Å; I265-F380 HydrophobicContact CD1-CE2 4.44Å; I265-F380 HydrophobicContact CD1-CZ 3.82Å; I265-F380 HydrophobicContact CG1-CZ 4.36Å; I265-F380 HydrophobicContact CG2-CE1 3.8Å; I265-F380 HydrophobicContact CG2-CZ 3.86Å; L269-F380 HydrophobicContact CD1-CD1 4.03Å; L269-F380 HydrophobicContact CD1-CE1 3.8Å; L269-F380 HydrophobicContact CD2-CD1 4.17Å; L269-F380 HydrophobicContact CD2-CE1 4.49Å; L269-F380 HydrophobicContact CD2-CG 4.5Å; W297-F380 HydrophobicContact CZ3-CD1 4.43Å; L308-F380 PolarHBondContact O-N 3.45Å; Y309-F380 CarbonylContact C-O 3.51Å; Y309-F380 WeakPolarHBondContact CA-O 3.26Å; Y309-F380 HydrophobicContact CD2-CB 4.31Å; Y309-F380 AromaticContact CD2-CD1 3.41Å; Y309-F380 HydrophobicContact CD2-CD1 3.41Å; Y309-F380 VanDerWaalsContact CD2-CD1 3.41Å; Y309-F380 HydrophobicContact CD2-CE1 4.03Å; Y309-F380 HydrophobicContact CD2-CG 4.16Å; Y309-F380 WeakPolarHBondContact CD2-O 3.28Å; Y309-F380 AromaticContact CE2-CD1 3.41Å; Y309-F380 HydrophobicContact CE2-CD1 3.41Å; Y309-F380 VanDerWaalsContact CE2-CD1 3.41Å; Y309-F380 AromaticContact CE2-CE1 3.5Å; Y309-F380 HydrophobicContact CE2-CE1 3.5Å; Y309-F380 HydrophobicContact CE2-CG 4.41Å; Y309-F380 HydrophobicContact CG-CD1 4.46Å; G310-F380 PolarHBondContact N-O 3.18Å; F378-F380 HydrophobicContact CE1-CB 3.94Å; F378-F380 HydrophobicContact CZ-CB 4.08Å; F380-F382 HydrophobicContact CE2-CD2 4.26Å; F380-F382 HydrophobicContact CZ-CB 4.23Å; F380-F382 AromaticContact CZ-CD2 3.88Å; F380-F382 HydrophobicContact CZ-CD2 3.88Å; F380-F382 HydrophobicContact CZ-CG 4.4Å
381	Q	98.7	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.8	172.7	-61.3	-26	-69.6	0	0	109.9	Y219 I220 L221 A222 G310 H361 V365	Y219-Q381 HydrophobicContact CE2-CG 4Å; I220-Q381 PolarHBondContact O-N 2.88Å; L221-Q381 HydrophobicContact CD1-CB 4.24Å; A222-Q381 WeakPolarHBondContact CA-O 3.45Å; A222-Q381 WeakPolarHBondContact CB-O 3.47Å; A222-Q381 PolarHBondContact N-O 3.16Å; G310-Q381 CarbonylContact O-C 3.47Å; G310-Q381 WeakPolarHBondContact O-CA 3.17Å; H361-Q381 PolarHBondContact NE2-OE1 3.17Å; V365-Q381 VanDerWaalsContact CG2-CD 3.44Å; V365-Q381 HydrophobicContact CG2-CG 3.35Å
382	F	98.6	Very high	94.9	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.4	176.3	-160.2	-103.5	0	0	0	109.9	A222 D224 T261 I265 G310 E311 D312 F380 D424	A222-F382 HydrophobicContact CB-CD2 3.59Å; A222-F382 HydrophobicContact CB-CE2 4.05Å; A222-F382 WeakPolarHBondContact O-CA 3.42Å; D224-F382 HydrophobicContact CB-CE1 3.53Å; D224-F382 HydrophobicContact CB-CZ 3.51Å; T261-F382 HydrophobicContact CG2-CE1 3.6Å; T261-F382 HydrophobicContact CG2-CE2 4.19Å; T261-F382 HydrophobicContact CG2-CZ 3.34Å; I265-F382 HydrophobicContact CD1-CD2 4.18Å; I265-F382 HydrophobicContact CD1-CE2 3.81Å; I265-F382 HydrophobicContact CG1-CD2 4.43Å; I265-F382 HydrophobicContact CG1-CE2 3.98Å; I265-F382 HydrophobicContact CG1-CZ 4.4Å; G310-F382 PolarHBondContact O-N 3.4Å; E311-F382 WeakPolarHBondContact CA-O 3.2Å; E311-F382 HydrophobicContact CB-CB 4.22Å; E311-F382 HydrophobicContact CG-CB 4.29Å; E311-F382 HydrophobicContact CG-CD1 4.2Å; D312-F382 PolarHBondContact N-O 2.68Å; F380-F382 HydrophobicContact CE2-CD2 4.26Å; F380-F382 HydrophobicContact CZ-CB 4.23Å; F380-F382 AromaticContact CZ-CD2 3.88Å; F380-F382 HydrophobicContact CZ-CD2 3.88Å; F380-F382 HydrophobicContact CZ-CG 4.4Å; F382-D424 HydrophobicContact CE2-CB 4.05Å; F382-D424 HydrophobicContact CZ-CB 4Å
383	H	98.2	Very high	94.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.8	-176.3	-59.9	-88.6	0	0	0	111.2	L221 A222 F223 D224 I358 H361	L221-H383 VanDerWaalsContact CD1-NE2 3.29Å; L221-H383 WeakPolarHBondContact CD1-NE2 3.47Å; A222-H383 PolarHBondContact O-CD2 3.09Å; A222-H383 PolarHBondContact O-N 2.7Å; F223-H383 CarbonylContact C-O 3.57Å; F223-H383 VanDerWaalsContact CA-O 3.25Å; F223-H383 WeakPolarHBondContact CA-O 3.14Å; F223-H383 HydrophobicContact CD1-CB 3.79Å; F223-H383 HydrophobicContact CE1-CB 4.07Å; D224-H383 PolarHBondContact N-O 3.18Å; I358-H383 WeakPolarHBondContact CD1-ND1 3.29Å; H361-H383 AromaticContact CD2-CE1 3.59Å; H361-H383 AromaticContact CE1-CE1 3.57Å; H361-H383 AromaticContact CE1-ND1 3.69Å; H361-H383 AromaticContact CG-CE1 3.25Å; H361-H383 AromaticContact CG-ND1 3.74Å; H361-H383 AromaticContact ND1-CE1 3.26Å; H361-H383 PolarHBondContact ND1-CE1 2.02Å; H361-H383 VanDerWaalsContact ND1-CE1 3.26Å; H361-H383 AromaticContact ND1-ND1 3.28Å; H361-H383 PolarHBondContact ND1-ND1 3.31Å; H361-H383 AromaticContact NE2-CE1 3.78Å
384	S	96.3	Very high	95	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	13%	0.13	C	C	.	.			trans	-111.8	-26.8	176.6	-62.3	0	0	0	0	112.4	D224 D312 Y348 Y386 S387 H388	D224-S384 WeakPolarHBondContact CB-OG 3.36Å; D224-S384 WeakPolarHBondContact OD2-CB 3.48Å; D224-S384 PolarHBondContact OD2-OG 2.76Å; D312-S384 WeakPolarHBondContact OD1-CA 3.29Å; D312-S384 WeakPolarHBondContact OD1-CB 3.29Å; D312-S384 PolarHBondContact OD1-N 2.89Å; D312-S384 PolarHBondContact OD2-N 3.11Å; Y348-S384 VanDerWaalsContact OH-CB 3.28Å; Y348-S384 WeakPolarHBondContact OH-CB 3.12Å; S384-Y386 PolarHBondContact O-N 3.15Å; S384-S387 PolarHBondContact O-N 2.8Å; S384-H388 WeakPolarHBondContact O-CB 3.42Å; S384-H388 PolarHBondContact O-N 3.28Å
385	A	95.5	Very high	95.2	Very high	11 Å²	11	19.9 Å²	19.9	9%	0.091	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.8	-167.4	0	0	0	0	0	115.5	D312 Y348 L350	D312-A385 PolarHBondContact OD1-N 2.69Å; D312-A385 WeakPolarHBondContact OD2-CB 3.36Å; D312-A385 PolarHBondContact OD2-N 2.69Å; Y348-A385 VanDerWaalsContact CD1-CA 3.47Å; Y348-A385 HydrophobicContact CD1-CB 3.46Å; Y348-A385 VanDerWaalsContact CD1-CB 3.46Å; Y348-A385 VanDerWaalsContact CE1-CA 3.48Å; Y348-A385 HydrophobicContact CE1-CB 3.93Å; Y348-A385 HydrophobicContact CG-CB 3.79Å; L350-A385 HydrophobicContact CD2-CB 4.09Å
386	Y	95.7	Very high	95.3	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.02	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.9	-176	-71.2	-96.1	0	0	0	113.7	L114 L350 Q357 I358 S384 M393 L394 L396 A397	L114-Y386 WeakPolarHBondContact CD2-OH 3.49Å; L350-Y386 HydrophobicContact CD2-CE2 4.09Å; Q357-Y386 VanDerWaalsContact OE1-CE2 3.31Å; I358-Y386 HydrophobicContact CB-CD2 4.19Å; I358-Y386 HydrophobicContact CB-CE2 3.66Å; I358-Y386 HydrophobicContact CG2-CE2 4.08Å; S384-Y386 PolarHBondContact O-N 3.15Å; Y386-M393 CarbonylContact O-C 3.54Å; Y386-M393 VanDerWaalsContact O-CB 3.23Å; Y386-M393 WeakPolarHBondContact O-CB 3.42Å; Y386-L394 VanDerWaalsContact O-CA 3.23Å; Y386-L394 WeakPolarHBondContact O-CA 3.41Å; Y386-L394 PolarHBondContact O-N 3.38Å; Y386-L396 HydrophobicContact CD1-CB 3.93Å; Y386-L396 HydrophobicContact CE1-CB 3.96Å; Y386-A397 HydrophobicContact CD1-CB 4.45Å; Y386-A397 HydrophobicContact CG-CB 4.28Å
387	S	94.1	Very high	95.5	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.042	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.5	-26.8	-171	34.1	0	0	0	0	115.8	D224 S384	D224-S387 CarbonylContact O-C 3.4Å; D224-S387 WeakPolarHBondContact O-CB 3.26Å; D224-S387 PolarHBondContact O-OG 2.93Å; S384-S387 PolarHBondContact O-N 2.8Å
388	H	89.6	Confident	95.5	Very high	43 Å²	43	17.7 Å²	17.7	20%	0.199	10%	0.096	C	C	.	.	S	Bend	trans	-63.6	-52.1	-175.5	177.3	-86.4	0	0	0	112.5	D224 S384 F429	D224-H388 PolarHBondContact O-N 2.75Å; D224-H388 IonicContact OD1-CD2 2.7Å; D224-H388 PolarHBondContact OD1-CD2 3.45Å; D224-H388 IonicContact OD2-CD2 3.34Å; D224-H388 PolarHBondContact OD2-CD2 3.48Å; D224-H388 IonicContact OD2-CG 3.49Å; S384-H388 WeakPolarHBondContact O-CB 3.42Å; S384-H388 PolarHBondContact O-N 3.28Å; H388-F429 AromaticContact CE1-CZ 3.98Å
389	D	87.1	Confident	95.4	Very high	117 Å²	117	20.5 Å²	20.5	63%	0.626	11%	0.11	S	C	*	.	S	Bend	trans	-84.5	-35.3	-174.6	-68.3	-18.4	0	0	0	113.5
390	D	90.1	Very high	95.4	Very high	31 Å²	31	22 Å²	22	17%	0.166	12%	0.117	C	C	.	.			trans	-141.3	108.7	176.5	-178.1	1.8	0	0	0	111.1	R109 N392 M393	R109-D390 IonicContact CZ-OD2 3.61Å; R109-D390 IonicContact NE-OD2 3.79Å; R109-D390 PolarHBondContact NE-OD2 3.49Å; R109-D390 VanDerWaalsContact NH2-CG 3.33Å; R109-D390 IonicContact NH2-OD1 2.72Å; R109-D390 IonicContact NH2-OD2 3.74Å; R109-D390 PolarHBondContact NH2-OD2 2.87Å; D390-N392 PolarHBondContact O-N 3.35Å; D390-N392 WeakPolarHBondContact OD1-CB 3.44Å; D390-N392 PolarHBondContact OD1-N 2.99Å; D390-N392 PolarHBondContact OD1-ND2 2.96Å; D390-M393 HydrophobicContact CB-CB 4.5Å; D390-M393 HydrophobicContact CB-CG 3.86Å; D390-M393 WeakPolarHBondContact O-CB 3.37Å; D390-M393 PolarHBondContact O-N 2.98Å
391	H	88.8	Confident	95.4	Very high	17 Å²	17	22 Å²	22	8%	0.079	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.3	178.3	60.9	-104.3	0	0	0	114.6	M108 Q230 V432	M108-H391 WeakPolarHBondContact CE-NE2 3.3Å; Q230-H391 HydrophobicContact CG-CB 4.45Å; Q230-H391 PolarHBondContact NE2-CD2 2.79Å; Q230-H391 VanDerWaalsContact NE2-CD2 3.35Å; Q230-H391 PolarHBondContact NE2-O 2.81Å; H391-V432 VanDerWaalsContact CE1-CG2 3.43Å; H391-V432 WeakPolarHBondContact CE1-CG2 3.44Å
392	N	93.4	Very high	95.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-28.9	175.9	-62.9	-75	0	0	0	112.8	R109 P111 K234 D390 L394 S395	R109-N392 HydrophobicContact CG-CB 3.77Å; R109-N392 WeakPolarHBondContact CG-ND2 3.46Å; R109-N392 PolarHBondContact N-OD1 3.15Å; R109-N392 PolarHBondContact O-OD1 3.15Å; R109-N392 VanDerWaalsContact O-OD1 3.1Å; P111-N392 WeakPolarHBondContact CG-O 3.17Å; K234-N392 VanDerWaalsContact CE-OD1 3.24Å; K234-N392 WeakPolarHBondContact CE-OD1 3.44Å; K234-N392 PolarHBondContact NZ-OD1 2.97Å; D390-N392 PolarHBondContact O-N 3.35Å; D390-N392 WeakPolarHBondContact OD1-CB 3.44Å; D390-N392 PolarHBondContact OD1-N 2.99Å; D390-N392 PolarHBondContact OD1-ND2 2.96Å; N392-L394 PolarHBondContact O-N 3.2Å; N392-L394 VanDerWaalsContact O-N 3.14Å; N392-S395 PolarHBondContact O-N 2.79Å; N392-S395 PolarHBondContact O-OG 2.88Å
393	M	95.2	Very high	95.4	Very high	46 Å²	46	28.5 Å²	28.5	23%	0.227	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-61.1	-21.5	178.4	-71.5	-69.5	-73.8	0	0	112	P111 L350 Y386 D390 S395 L396	P111-M393 HydrophobicContact CB-SD 3.73Å; L350-M393 HydrophobicContact CD1-CE 3.95Å; Y386-M393 CarbonylContact O-C 3.54Å; Y386-M393 VanDerWaalsContact O-CB 3.23Å; Y386-M393 WeakPolarHBondContact O-CB 3.42Å; D390-M393 HydrophobicContact CB-CB 4.5Å; D390-M393 HydrophobicContact CB-CG 3.86Å; D390-M393 WeakPolarHBondContact O-CB 3.37Å; D390-M393 PolarHBondContact O-N 2.98Å; M393-S395 PolarHBondContact O-N 2.75Å; M393-L396 HydrophobicContact CE-CD1 3.46Å; M393-L396 VanDerWaalsContact CE-CD1 3.46Å; M393-L396 VanDerWaalsContact O-CB 3.29Å; M393-L396 WeakPolarHBondContact O-CB 3.13Å; M393-L396 WeakPolarHBondContact O-CG 3.48Å; M393-L396 PolarHBondContact O-N 3.3Å; M393-L396 HydrophobicContact SD-CD1 3.68Å
394	L	96.8	Very high	95.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-55.4	-32.4	179.3	-179.6	61.9	0	0	0	112.1	F223 V226 K234 M235 Y386 N392 L396 A397	F223-L394 HydrophobicContact CD1-CD1 4.27Å; V226-L394 HydrophobicContact CB-CD2 4.15Å; V226-L394 HydrophobicContact CG1-CD2 3.37Å; V226-L394 HydrophobicContact CG2-CD1 4.29Å; V226-L394 HydrophobicContact CG2-CD2 3.61Å; K234-L394 HydrophobicContact CB-CB 4.04Å; K234-L394 HydrophobicContact CB-CD2 3.95Å; K234-L394 HydrophobicContact CB-CG 4.04Å; M235-L394 HydrophobicContact CG-CD1 3.96Å; M235-L394 HydrophobicContact CG-CD2 3.85Å; M235-L394 HydrophobicContact CG-CG 3.7Å; M235-L394 HydrophobicContact SD-CD1 3.69Å; M235-L394 HydrophobicContact SD-CD2 4.5Å; M235-L394 HydrophobicContact SD-CG 3.7Å; Y386-L394 VanDerWaalsContact O-CA 3.23Å; Y386-L394 WeakPolarHBondContact O-CA 3.41Å; Y386-L394 PolarHBondContact O-N 3.38Å; N392-L394 PolarHBondContact O-N 3.2Å; N392-L394 VanDerWaalsContact O-N 3.14Å; L394-L396 PolarHBondContact O-N 3.02Å; L394-A397 PolarHBondContact O-N 3.32Å
395	S	97.1	Very high	95.6	Very high	39 Å²	39	28.6 Å²	28.6	27%	0.273	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-63.4	-19.3	177.4	57.3	0	0	0	0	114.8	P111 K234 N392 M393 A397	P111-S395 WeakPolarHBondContact CD-OG 3.31Å; P111-S395 VanDerWaalsContact CG-OG 3.27Å; P111-S395 WeakPolarHBondContact CG-OG 3.3Å; K234-S395 WeakPolarHBondContact O-CA 3.33Å; N392-S395 PolarHBondContact O-N 2.79Å; N392-S395 PolarHBondContact O-OG 2.88Å; M393-S395 PolarHBondContact O-N 2.75Å; S395-A397 VanDerWaalsContact C-N 3.28Å
396	L	97.4	Very high	95.7	Very high	35 Å²	35	31.7 Å²	31.7	18%	0.183	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-72.7	-22.7	173.8	-57.8	178.1	0	0	0	112.3	P111 L114 Y386 M393 L394	P111-L396 HydrophobicContact CB-CD1 4.38Å; P111-L396 HydrophobicContact CB-CD2 4.48Å; P111-L396 HydrophobicContact CB-CG 4.39Å; P111-L396 HydrophobicContact CG-CD1 4.35Å; P111-L396 HydrophobicContact CG-CD2 3.85Å; P111-L396 HydrophobicContact CG-CG 3.83Å; L114-L396 HydrophobicContact CB-CD1 4.42Å; Y386-L396 HydrophobicContact CD1-CB 3.93Å; Y386-L396 HydrophobicContact CE1-CB 3.96Å; M393-L396 HydrophobicContact CE-CD1 3.46Å; M393-L396 VanDerWaalsContact CE-CD1 3.46Å; M393-L396 VanDerWaalsContact O-CB 3.29Å; M393-L396 WeakPolarHBondContact O-CB 3.13Å; M393-L396 WeakPolarHBondContact O-CG 3.48Å; M393-L396 PolarHBondContact O-N 3.3Å; M393-L396 HydrophobicContact SD-CD1 3.68Å; L394-L396 PolarHBondContact O-N 3.02Å
397	A	97.8	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-88.5	-11	177.7	0	0	0	0	0	113.4	M235 I358 Y386 L394 S395 Q399 D400 V401	M235-A397 HydrophobicContact CE-CB 4.37Å; M235-A397 HydrophobicContact SD-CB 4.42Å; I358-A397 HydrophobicContact CG1-CB 4.07Å; Y386-A397 HydrophobicContact CD1-CB 4.45Å; Y386-A397 HydrophobicContact CG-CB 4.28Å; L394-A397 PolarHBondContact O-N 3.32Å; S395-A397 VanDerWaalsContact C-N 3.28Å; A397-Q399 VanDerWaalsContact C-N 3.34Å; A397-Q399 PolarHBondContact O-N 2.96Å; A397-D400 PolarHBondContact O-N 2.69Å; A397-V401 HydrophobicContact CB-CG2 4.33Å; A397-V401 WeakPolarHBondContact O-CB 3.3Å; A397-V401 VanDerWaalsContact O-CG2 3.22Å; A397-V401 WeakPolarHBondContact O-CG2 3.41Å; A397-V401 PolarHBondContact O-N 2.82Å
398	D	98.4	Very high	96	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-42.2	-170.8	-171.7	22.7	0	0	0	112.8	M235 R236 Q237 T238 K402	M235-D398 VanDerWaalsContact C-CG 3.47Å; M235-D398 VanDerWaalsContact CA-CG 3.46Å; M235-D398 VanDerWaalsContact CA-OD1 3.3Å; M235-D398 WeakPolarHBondContact CA-OD1 3.24Å; M235-D398 HydrophobicContact CE-CB 4.44Å; M235-D398 VanDerWaalsContact SD-CA 3.58Å; M235-D398 HydrophobicContact SD-CB 3.86Å; R236-D398 PolarHBondContact N-OD1 3Å; R236-D398 PolarHBondContact N-OD2 3.5Å; Q237-D398 WeakPolarHBondContact CB-OD2 3.19Å; Q237-D398 WeakPolarHBondContact CG-OD2 3.43Å; Q237-D398 PolarHBondContact N-OD1 3.42Å; Q237-D398 PolarHBondContact N-OD2 3.13Å; T238-D398 VanDerWaalsContact CB-OD1 3.25Å; T238-D398 WeakPolarHBondContact CB-OD1 3.18Å; T238-D398 PolarHBondContact N-OD1 2.64Å; T238-D398 PolarHBondContact OG1-O 3.16Å; T238-D398 PolarHBondContact OG1-OD1 3.29Å; D398-K402 WeakPolarHBondContact O-CB 3.33Å; D398-K402 PolarHBondContact O-N 3.33Å; D398-K402 VanDerWaalsContact O-N 3.14Å
399	Q	98	Very high	96.4	Very high	59 Å²	59	36.9 Å²	36.9	28%	0.276	18%	0.183	S	C	.	.	H	α-helix	trans	-70.8	-45	-177.1	-175.8	50.2	48.4	0	0	111.9	Q237 A397 K402 E403	Q237-Q399 VanDerWaalsContact OE1-OE1 3.09Å; A397-Q399 VanDerWaalsContact C-N 3.34Å; A397-Q399 PolarHBondContact O-N 2.96Å; Q399-K402 PolarHBondContact O-N 3.47Å; Q399-E403 VanDerWaalsContact NE2-CD 3.25Å; Q399-E403 VanDerWaalsContact NE2-CG 3.32Å; Q399-E403 PolarHBondContact NE2-OE1 2.81Å; Q399-E403 WeakPolarHBondContact O-CG 3.38Å; Q399-E403 PolarHBondContact O-N 3.36Å
400	D	98.1	Very high	96.9	Very high	31 Å²	31	37 Å²	37	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-42	-178.7	-60	-54.8	0	0	0	111.6	I358 L362 A397 K402 E403 H404	I358-D400 HydrophobicContact CG2-CB 4.03Å; I358-D400 WeakPolarHBondContact CG2-OD2 3.5Å; L362-D400 HydrophobicContact CD1-CB 4.32Å; A397-D400 PolarHBondContact O-N 2.69Å; D400-K402 PolarHBondContact O-N 2.81Å; D400-E403 PolarHBondContact O-N 2.64Å; D400-H404 WeakPolarHBondContact O-CB 3.42Å; D400-H404 PolarHBondContact O-N 3.04Å
401	V	98.7	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-41	176.9	175.5	0	0	0	0	110.7	L221 F223 M235 T238 I358 L362 A397 E403 H404 L405	L221-V401 HydrophobicContact CD2-CG1 3.91Å; F223-V401 HydrophobicContact CE1-CG2 4.25Å; F223-V401 HydrophobicContact CZ-CG1 4.28Å; F223-V401 HydrophobicContact CZ-CG2 3.81Å; M235-V401 HydrophobicContact CE-CB 3.7Å; M235-V401 HydrophobicContact CE-CG1 4.04Å; M235-V401 HydrophobicContact CE-CG2 3.73Å; T238-V401 HydrophobicContact CG2-CB 4.43Å; T238-V401 HydrophobicContact CG2-CG1 3.63Å; I358-V401 HydrophobicContact CD1-CG2 4.46Å; I358-V401 HydrophobicContact CG1-CG2 4.36Å; L362-V401 HydrophobicContact CD1-CG2 3.96Å; A397-V401 HydrophobicContact CB-CG2 4.33Å; A397-V401 WeakPolarHBondContact O-CB 3.3Å; A397-V401 VanDerWaalsContact O-CG2 3.22Å; A397-V401 WeakPolarHBondContact O-CG2 3.41Å; A397-V401 PolarHBondContact O-N 2.82Å; V401-E403 VanDerWaalsContact C-N 3.35Å; V401-E403 PolarHBondContact O-N 3.31Å; V401-H404 PolarHBondContact O-N 2.98Å; V401-L405 HydrophobicContact CG1-CD1 4.39Å; V401-L405 VanDerWaalsContact O-CG 3.31Å; V401-L405 WeakPolarHBondContact O-CG 3.39Å; V401-L405 PolarHBondContact O-N 3.48Å
402	K	98.8	Very high	97.5	Very high	44 Å²	44	44 Å²	44	19%	0.191	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-43	174	179.3	-96.7	-84.1	167.9	0	111.7	Q237 T238 Y241 D398 Q399 D400 L405 K406	Q237-K402 HydrophobicContact CB-CB 4.49Å; T238-K402 PolarHBondContact OG1-N 3.26Å; Y241-K402 HydrophobicContact CD2-CG 4.44Å; Y241-K402 HydrophobicContact CG-CG 4.17Å; D398-K402 WeakPolarHBondContact O-CB 3.33Å; D398-K402 PolarHBondContact O-N 3.33Å; D398-K402 VanDerWaalsContact O-N 3.14Å; Q399-K402 PolarHBondContact O-N 3.47Å; D400-K402 PolarHBondContact O-N 2.81Å; K402-L405 PolarHBondContact O-N 3.13Å; K402-K406 VanDerWaalsContact O-CB 3.31Å; K402-K406 WeakPolarHBondContact O-CB 3.49Å; K402-K406 PolarHBondContact O-N 2.9Å
403	E	98.6	Very high	97.7	Very high	94 Å²	94	45.2 Å²	45.2	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-41.4	179.1	-79.7	173.8	-169.1	0	0	112.4	Q399 D400 V401 K406 S407	Q399-E403 VanDerWaalsContact NE2-CD 3.25Å; Q399-E403 VanDerWaalsContact NE2-CG 3.32Å; Q399-E403 PolarHBondContact NE2-OE1 2.81Å; Q399-E403 WeakPolarHBondContact O-CG 3.38Å; Q399-E403 PolarHBondContact O-N 3.36Å; D400-E403 PolarHBondContact O-N 2.64Å; V401-E403 VanDerWaalsContact C-N 3.35Å; V401-E403 PolarHBondContact O-N 3.31Å; E403-K406 CarbonylContact O-C 3.58Å; E403-K406 WeakPolarHBondContact O-CB 3.41Å; E403-K406 PolarHBondContact O-N 3.5Å; E403-K406 VanDerWaalsContact O-N 3.17Å; E403-S407 PolarHBondContact O-N 3Å
404	H	98.7	Very high	97.8	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-57.3	-51.4	173.1	175.2	64.1	0	0	0	112.5	Y219 L362 N366 D400 V401 K406 S407 L408	Y219-H404 AromaticContact CE1-NE2 3.51Å; Y219-H404 AromaticContact CZ-NE2 3.6Å; Y219-H404 PolarHBondContact OH-NE2 3.26Å; L362-H404 HydrophobicContact CB-CB 4.08Å; L362-H404 HydrophobicContact CD1-CB 3.85Å; L362-H404 HydrophobicContact CD2-CB 4.34Å; L362-H404 HydrophobicContact CG-CB 4.31Å; L362-H404 PolarHBondContact O-CE1 3.22Å; N366-H404 PolarHBondContact ND2-ND1 3.45Å; N366-H404 PolarHBondContact OD1-CE1 3.42Å; N366-H404 PolarHBondContact OD1-ND1 3.46Å; N366-H404 VanDerWaalsContact OD1-ND1 3.1Å; D400-H404 WeakPolarHBondContact O-CB 3.42Å; D400-H404 PolarHBondContact O-N 3.04Å; V401-H404 PolarHBondContact O-N 2.98Å; H404-K406 PolarHBondContact O-N 2.59Å; H404-S407 PolarHBondContact O-N 2.64Å; H404-L408 PolarHBondContact O-N 3.47Å
405	L	98.8	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-31.8	177.2	-67	-176.9	0	0	0	112.3	L221 T238 Y241 I242 L246 V401 K402 Y409 L419 V421	L221-L405 HydrophobicContact CD2-CD2 4.37Å; T238-L405 HydrophobicContact CG2-CD1 4.13Å; Y241-L405 HydrophobicContact CD1-CB 4.03Å; Y241-L405 HydrophobicContact CE1-CB 3.98Å; I242-L405 HydrophobicContact CD1-CD1 4.03Å; I242-L405 HydrophobicContact CG1-CD1 3.74Å; L246-L405 HydrophobicContact CD1-CB 4.31Å; L246-L405 HydrophobicContact CD1-CD1 4.4Å; V401-L405 HydrophobicContact CG1-CD1 4.39Å; V401-L405 VanDerWaalsContact O-CG 3.31Å; V401-L405 WeakPolarHBondContact O-CG 3.39Å; V401-L405 PolarHBondContact O-N 3.48Å; K402-L405 PolarHBondContact O-N 3.13Å; L405-Y409 WeakPolarHBondContact O-CB 3.43Å; L405-Y409 PolarHBondContact O-N 2.67Å; L405-L419 HydrophobicContact CD2-CD1 4.49Å; L405-L419 HydrophobicContact CD2-CD2 3.66Å; L405-V421 HydrophobicContact CD1-CG2 4.44Å
406	K	98.6	Very high	97.7	Very high	77 Å²	77	45.6 Å²	45.6	34%	0.335	23%	0.228	S	C	.	.	H	α-helix	trans	-69.5	-46.2	174.7	-178.1	176.3	178.6	-74.7	0	111.9	Y241 K402 E403 H404 L408 Y409 E410	Y241-K406 HydrophobicContact CE1-CB 4.36Å; Y241-K406 HydrophobicContact CE2-CB 4.35Å; Y241-K406 WeakPolarHBondContact OH-CA 3.41Å; K402-K406 VanDerWaalsContact O-CB 3.31Å; K402-K406 WeakPolarHBondContact O-CB 3.49Å; K402-K406 PolarHBondContact O-N 2.9Å; E403-K406 CarbonylContact O-C 3.58Å; E403-K406 WeakPolarHBondContact O-CB 3.41Å; E403-K406 PolarHBondContact O-N 3.5Å; E403-K406 VanDerWaalsContact O-N 3.17Å; H404-K406 PolarHBondContact O-N 2.59Å; K406-L408 PolarHBondContact O-N 3.42Å; K406-Y409 WeakPolarHBondContact O-CB 3.45Å; K406-Y409 PolarHBondContact O-N 3.04Å; K406-Y409 VanDerWaalsContact O-N 3.11Å; K406-E410 WeakPolarHBondContact CE-OE1 3.29Å; K406-E410 HydrophobicContact CG-CG 4.28Å; K406-E410 IonicContact NZ-OE1 2.74Å; K406-E410 PolarHBondContact NZ-OE1 3.4Å; K406-E410 IonicContact NZ-OE2 2.76Å; K406-E410 PolarHBondContact NZ-OE2 2.73Å; K406-E410 WeakPolarHBondContact O-CG 3.33Å; K406-E410 PolarHBondContact O-N 2.82Å
407	S	98.1	Very high	97.8	Very high	40 Å²	40	44 Å²	44	28%	0.28	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-50.1	176.1	-164.8	0	0	0	0	110.9	E403 H404 Y409 E410 D411	E403-S407 PolarHBondContact O-N 3Å; H404-S407 PolarHBondContact O-N 2.64Å; S407-Y409 PolarHBondContact O-N 3.29Å; S407-Y409 VanDerWaalsContact O-N 3.15Å; S407-E410 PolarHBondContact O-N 3.27Å; S407-D411 VanDerWaalsContact O-CB 3.26Å; S407-D411 WeakPolarHBondContact O-CB 3.28Å; S407-D411 VanDerWaalsContact O-CG 3.26Å; S407-D411 PolarHBondContact O-N 2.8Å; S407-D411 VanDerWaalsContact O-OD2 3.13Å; S407-D411 PolarHBondContact OG-OD2 3.46Å
408	L	97.9	Very high	97.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-30.8	178	-68	177.2	0	0	0	113.1	Y219 N366 F369 H404 K406 F413 L414	Y219-L408 HydrophobicContact CD1-CD1 3.93Å; Y219-L408 HydrophobicContact CE1-CD1 3.6Å; N366-L408 WeakPolarHBondContact OD1-CD2 3.42Å; F369-L408 HydrophobicContact CB-CD2 4.47Å; F369-L408 HydrophobicContact CD1-CD2 4.49Å; F369-L408 HydrophobicContact CD2-CD2 4.42Å; F369-L408 HydrophobicContact CG-CD2 4.21Å; H404-L408 PolarHBondContact O-N 3.47Å; K406-L408 PolarHBondContact O-N 3.42Å; L408-F413 HydrophobicContact CB-CB 4.46Å; L408-F413 HydrophobicContact CD2-CB 4.05Å; L408-F413 HydrophobicContact CD2-CD2 3.87Å; L408-F413 HydrophobicContact CD2-CG 4.31Å; L408-F413 WeakPolarHBondContact O-CA 3.23Å; L408-F413 WeakPolarHBondContact O-CB 3.14Å; L408-F413 PolarHBondContact O-N 3.44Å; L408-L414 HydrophobicContact CB-CD1 4.41Å; L408-L414 HydrophobicContact CB-CD2 3.96Å; L408-L414 HydrophobicContact CB-CG 3.85Å; L408-L414 HydrophobicContact CD1-CD2 4.36Å; L408-L414 PolarHBondContact O-N 2.89Å
409	Y	97.8	Very high	97.8	Very high	123 Å²	123	43.6 Å²	43.6	48%	0.482	22%	0.218	S	C	.	.	H	α-helix	trans	-74.3	-50.3	176	-178.3	-110.1	0	0	0	111.9	Y241 V245 L246 L405 K406 S407 N412 L414	Y241-Y409 WeakPolarHBondContact OH-CD1 3.48Å; V245-Y409 HydrophobicContact CG1-CE1 4.35Å; L246-Y409 HydrophobicContact CD2-CD2 3.71Å; L246-Y409 HydrophobicContact CD2-CE2 4.38Å; L246-Y409 HydrophobicContact CD2-CG 3.94Å; L405-Y409 WeakPolarHBondContact O-CB 3.43Å; L405-Y409 PolarHBondContact O-N 2.67Å; K406-Y409 WeakPolarHBondContact O-CB 3.45Å; K406-Y409 PolarHBondContact O-N 3.04Å; K406-Y409 VanDerWaalsContact O-N 3.11Å; S407-Y409 PolarHBondContact O-N 3.29Å; S407-Y409 VanDerWaalsContact O-N 3.15Å; Y409-N412 PolarHBondContact O-N 3.43Å; Y409-N412 VanDerWaalsContact O-N 3.13Å; Y409-L414 HydrophobicContact CD2-CD1 4.41Å
410	E	97.3	Very high	97.8	Very high	119 Å²	119	41.1 Å²	41.1	56%	0.556	21%	0.207	S	C	*	.	H	α-helix	trans	-68	-36.2	-177.5	-70.1	178	159.7	0	0	112.1	K406 S407 N412	K406-E410 WeakPolarHBondContact CE-OE1 3.29Å; K406-E410 HydrophobicContact CG-CG 4.28Å; K406-E410 IonicContact NZ-OE1 2.74Å; K406-E410 PolarHBondContact NZ-OE1 3.4Å; K406-E410 IonicContact NZ-OE2 2.76Å; K406-E410 PolarHBondContact NZ-OE2 2.73Å; K406-E410 WeakPolarHBondContact O-CG 3.33Å; K406-E410 PolarHBondContact O-N 2.82Å; S407-E410 PolarHBondContact O-N 3.27Å; E410-N412 PolarHBondContact O-N 3.04Å; E410-N412 VanDerWaalsContact O-N 3.17Å
411	D	96.5	Very high	97.9	Very high	89 Å²	89	39.6 Å²	39.6	48%	0.476	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	7.5	174.2	-62.3	-36.3	0	0	0	113	S407 F413	S407-D411 VanDerWaalsContact O-CB 3.26Å; S407-D411 WeakPolarHBondContact O-CB 3.28Å; S407-D411 VanDerWaalsContact O-CG 3.26Å; S407-D411 PolarHBondContact O-N 2.8Å; S407-D411 VanDerWaalsContact O-OD2 3.13Å; S407-D411 PolarHBondContact OG-OD2 3.46Å; D411-F413 HydrophobicContact CB-CD2 3.6Å; D411-F413 HydrophobicContact CB-CE2 3.7Å; D411-F413 HydrophobicContact CB-CG 4.5Å; D411-F413 PolarHBondContact O-N 3.19Å; D411-F413 VanDerWaalsContact O-N 3.1Å
412	N	96.4	Very high	97.9	Very high	106 Å²	106	39.6 Å²	39.6	57%	0.567	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	12.6	177.7	-166.2	45.4	0	0	0	114.8	Y409 E410 L414 N415	Y409-N412 PolarHBondContact O-N 3.43Å; Y409-N412 VanDerWaalsContact O-N 3.13Å; E410-N412 PolarHBondContact O-N 3.04Å; E410-N412 VanDerWaalsContact O-N 3.17Å; N412-L414 VanDerWaalsContact C-N 3.35Å; N412-L414 PolarHBondContact O-N 3.09Å; N412-N415 PolarHBondContact O-N 3.43Å; N412-N415 WeakPolarHBondContact OD1-CB 3.47Å
413	F	97.2	Very high	97.9	Very high	28 Å²	28	37.5 Å²	37.5	12%	0.123	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.9	-34.4	176.7	-69.8	-55.3	0	0	0	112.5	F369 K373 L408 D411 N415 G416 T417	F369-F413 HydrophobicContact CB-CD1 4.09Å; F369-F413 HydrophobicContact CB-CD2 4.17Å; F369-F413 HydrophobicContact CB-CE1 4.06Å; F369-F413 HydrophobicContact CB-CE2 4.14Å; F369-F413 HydrophobicContact CB-CG 4.14Å; F369-F413 HydrophobicContact CB-CZ 4.09Å; F369-F413 HydrophobicContact CD1-CB 3.84Å; F369-F413 AromaticContact CD1-CD1 3.9Å; F369-F413 HydrophobicContact CD1-CD1 3.9Å; F369-F413 AromaticContact CD1-CG 3.89Å; F369-F413 HydrophobicContact CD1-CG 3.89Å; F369-F413 HydrophobicContact CE1-CB 4.36Å; F369-F413 HydrophobicContact CG-CD1 4.49Å; F369-F413 HydrophobicContact CG-CG 4.4Å; F369-F413 WeakPolarHBondContact O-CE1 3.3Å; K373-F413 HydrophobicContact CG-CE1 4.19Å; L408-F413 HydrophobicContact CB-CB 4.46Å; L408-F413 HydrophobicContact CD2-CB 4.05Å; L408-F413 HydrophobicContact CD2-CD2 3.87Å; L408-F413 HydrophobicContact CD2-CG 4.31Å; L408-F413 WeakPolarHBondContact O-CA 3.23Å; L408-F413 WeakPolarHBondContact O-CB 3.14Å; L408-F413 PolarHBondContact O-N 3.44Å; D411-F413 HydrophobicContact CB-CD2 3.6Å; D411-F413 HydrophobicContact CB-CE2 3.7Å; D411-F413 HydrophobicContact CB-CG 4.5Å; D411-F413 PolarHBondContact O-N 3.19Å; D411-F413 VanDerWaalsContact O-N 3.1Å; F413-N415 VanDerWaalsContact C-N 3.25Å; F413-N415 PolarHBondContact O-N 3.39Å; F413-G416 PolarHBondContact O-N 3.42Å; F413-T417 PolarHBondContact O-OG1 2.67Å
414	L	97.5	Very high	97.8	Very high	8 Å²	8	33 Å²	33	4%	0.042	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-69.8	-19.1	177.9	-65.3	-171.6	0	0	0	113.8	L246 L408 Y409 N412 G416 T417 L419	L246-L414 HydrophobicContact CD1-CD1 4.06Å; L246-L414 HydrophobicContact CD2-CD1 3.7Å; L408-L414 HydrophobicContact CB-CD1 4.41Å; L408-L414 HydrophobicContact CB-CD2 3.96Å; L408-L414 HydrophobicContact CB-CG 3.85Å; L408-L414 HydrophobicContact CD1-CD2 4.36Å; L408-L414 PolarHBondContact O-N 2.89Å; Y409-L414 HydrophobicContact CD2-CD1 4.41Å; N412-L414 VanDerWaalsContact C-N 3.35Å; N412-L414 PolarHBondContact O-N 3.09Å; L414-G416 PolarHBondContact O-N 2.87Å; L414-T417 HydrophobicContact CD2-CG2 4.47Å; L414-T417 PolarHBondContact O-N 3.42Å; L414-T417 VanDerWaalsContact O-N 3.15Å; L414-L419 HydrophobicContact CD1-CD2 4.46Å; L414-L419 HydrophobicContact CD2-CB 4.37Å; L414-L419 HydrophobicContact CD2-CD2 4.21Å
415	N	95.9	Very high	97.7	Very high	59 Å²	59	32.9 Å²	32.9	32%	0.316	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-68	-14.4	177	-170	50.6	0	0	0	113.1	N412 F413 P452 S453 W454	N412-N415 PolarHBondContact O-N 3.43Å; N412-N415 WeakPolarHBondContact OD1-CB 3.47Å; F413-N415 VanDerWaalsContact C-N 3.25Å; F413-N415 PolarHBondContact O-N 3.39Å; N415-P452 WeakPolarHBondContact O-CB 3.21Å; N415-S453 PolarHBondContact OD1-OG 2.03Å; N415-W454 VanDerWaalsContact O-CD1 3.3Å; N415-W454 PolarHBondContact O-NE1 3.27Å
416	G	96	Very high	97.5	Very high	26 Å²	26	32.9 Å²	32.9	27%	0.268	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-112.7	11.9	173.1	0	0	0	0	0	113.9	V216 N217 F413 L414	V216-G416 CarbonylContact C-O 3.59Å; V216-G416 WeakPolarHBondContact CA-O 3.37Å; N217-G416 PolarHBondContact N-O 3.24Å; N217-G416 PolarHBondContact ND2-O 3.22Å; F413-G416 PolarHBondContact O-N 3.42Å; L414-G416 PolarHBondContact O-N 2.87Å
417	T	98.2	Very high	97.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.3	-163.1	-54.3	0	0	0	0	112.5	N217 F369 F413 L414 P452	N217-T417 HydrophobicContact CB-CG2 3.94Å; N217-T417 WeakPolarHBondContact CB-OG1 2.97Å; N217-T417 PolarHBondContact ND2-OG1 2.9Å; N217-T417 WeakPolarHBondContact O-CA 3.48Å; F369-T417 HydrophobicContact CZ-CG2 4.42Å; F413-T417 PolarHBondContact O-OG1 2.67Å; L414-T417 HydrophobicContact CD2-CG2 4.47Å; L414-T417 PolarHBondContact O-N 3.42Å; L414-T417 VanDerWaalsContact O-N 3.15Å; T417-P452 WeakPolarHBondContact O-CD 3.41Å; T417-P452 WeakPolarHBondContact O-CG 3.27Å
418	I	98.3	Very high	96.2	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.7	158.7	-62.4	171.3	0	0	0	106.8	L214 V216 N217 L218 Y219 V449 L451 V486 F505	L214-I418 HydrophobicContact CD2-CD1 4.44Å; V216-I418 HydrophobicContact CG2-CD1 3.77Å; V216-I418 HydrophobicContact CG2-CG1 4.12Å; N217-I418 PolarHBondContact O-N 3.21Å; L218-I418 HydrophobicContact CD2-CB 4.09Å; L218-I418 HydrophobicContact CD2-CD1 4.41Å; Y219-I418 PolarHBondContact N-O 2.82Å; I418-V449 HydrophobicContact CG2-CG1 4.13Å; I418-L451 HydrophobicContact CG1-CD2 4.15Å; I418-L451 HydrophobicContact CG2-CD2 4.34Å; I418-V486 HydrophobicContact CD1-CG2 3.87Å; I418-F505 HydrophobicContact CD1-CE2 4.4Å; I418-F505 HydrophobicContact CD1-CZ 3.94Å
419	L	98.8	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.7	179	161.3	70.6	0	0	0	109.4	Y219 L246 L405 L414 V421 V449 V450	Y219-L419 HydrophobicContact CD1-CD1 3.55Å; Y219-L419 HydrophobicContact CE1-CD1 3.97Å; Y219-L419 HydrophobicContact CG-CD1 4.03Å; Y219-L419 CarbonylContact O-C 3.51Å; Y219-L419 VanDerWaalsContact O-CA 3.3Å; Y219-L419 WeakPolarHBondContact O-CA 3.33Å; L246-L419 HydrophobicContact CD1-CD2 4.31Å; L405-L419 HydrophobicContact CD2-CD1 4.49Å; L405-L419 HydrophobicContact CD2-CD2 3.66Å; L414-L419 HydrophobicContact CD1-CD2 4.46Å; L414-L419 HydrophobicContact CD2-CB 4.37Å; L414-L419 HydrophobicContact CD2-CD2 4.21Å; L419-V421 HydrophobicContact CD1-CG2 3.93Å; L419-V421 HydrophobicContact CD2-CG2 4.06Å; L419-V421 HydrophobicContact CG-CG2 3.97Å; L419-V449 WeakPolarHBondContact O-CA 3.34Å; L419-V450 HydrophobicContact CB-CB 4.04Å; L419-V450 HydrophobicContact CD2-CB 4.24Å; L419-V450 HydrophobicContact CD2-CG2 4.21Å; L419-V450 HydrophobicContact CG-CB 4.33Å; L419-V450 PolarHBondContact N-O 2.8Å; L419-V450 PolarHBondContact O-N 2.76Å
420	V	98.9	Very high	94.5	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.6	170.3	-178.1	0	0	0	0	107.8	Y219 I220 L221 M422 V447 S448 V449 L479	Y219-V420 PolarHBondContact O-N 3.48Å; I220-V420 CarbonylContact C-O 3.56Å; I220-V420 WeakPolarHBondContact CA-O 3.36Å; I220-V420 HydrophobicContact CG1-CB 4.22Å; I220-V420 HydrophobicContact CG2-CB 4.38Å; I220-V420 HydrophobicContact CG2-CG1 4.5Å; L221-V420 PolarHBondContact N-O 3.26Å; V420-M422 HydrophobicContact CG1-CB 4.04Å; V420-M422 HydrophobicContact CG1-CG 4.15Å; V420-M422 HydrophobicContact CG1-SD 4.08Å; V420-V447 HydrophobicContact CG1-CG1 4.33Å; V420-S448 WeakPolarHBondContact CA-O 3.48Å; V420-V449 HydrophobicContact CG2-CG2 4.47Å; V420-L479 HydrophobicContact CG1-CD2 4.45Å
421	V	98.9	Very high	93.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.6	168.5	-174.7	0	0	0	0	107.2	L221 F223 F231 I242 L405 L419 F446 V447 S448	L221-V421 HydrophobicContact CD2-CG1 4.39Å; L221-V421 HydrophobicContact CD2-CG2 4.48Å; L221-V421 CarbonylContact O-C 3.51Å; L221-V421 VanDerWaalsContact O-CA 3.31Å; L221-V421 WeakPolarHBondContact O-CA 3.37Å; F223-V421 HydrophobicContact CE2-CG1 4.37Å; F231-V421 HydrophobicContact CE2-CG1 4.33Å; F231-V421 HydrophobicContact CZ-CG1 4.12Å; I242-V421 HydrophobicContact CD1-CB 4.03Å; I242-V421 HydrophobicContact CD1-CG1 3.96Å; I242-V421 HydrophobicContact CD1-CG2 3.94Å; L405-V421 HydrophobicContact CD1-CG2 4.44Å; L419-V421 HydrophobicContact CD1-CG2 3.93Å; L419-V421 HydrophobicContact CD2-CG2 4.06Å; L419-V421 HydrophobicContact CG-CG2 3.97Å; V421-F446 HydrophobicContact CB-CE1 4.24Å; V421-F446 HydrophobicContact CG1-CD1 4.42Å; V421-F446 HydrophobicContact CG1-CE1 3.99Å; V421-V447 CarbonylContact O-C 3.59Å; V421-V447 WeakPolarHBondContact O-CA 3.49Å; V421-S448 PolarHBondContact N-O 3.27Å; V421-S448 PolarHBondContact O-N 3.44Å; V421-S448 PolarHBondContact O-OG 2.76Å
422	M	98.7	Very high	93.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	177.4	-170.3	69.1	174.3	-69.7	0	0	114.9	I220 L221 A222 F223 L268 V420 F446 V447 L479	I220-M422 HydrophobicContact CG2-CG 4.02Å; I220-M422 HydrophobicContact CG2-SD 3.8Å; L221-M422 PolarHBondContact O-N 3.29Å; A222-M422 CarbonylContact C-O 3.48Å; A222-M422 VanDerWaalsContact CA-O 3.24Å; A222-M422 WeakPolarHBondContact CA-O 3.1Å; A222-M422 HydrophobicContact CB-CG 3.69Å; F223-M422 PolarHBondContact N-O 2.99Å; L268-M422 HydrophobicContact CD2-CE 4.01Å; L268-M422 HydrophobicContact CD2-SD 3.64Å; V420-M422 HydrophobicContact CG1-CB 4.04Å; V420-M422 HydrophobicContact CG1-CG 4.15Å; V420-M422 HydrophobicContact CG1-SD 4.08Å; M422-F446 CarbonylContact C-O 3.58Å; M422-F446 VanDerWaalsContact C-O 3.25Å; M422-F446 WeakPolarHBondContact CA-O 3.01Å; M422-V447 HydrophobicContact CB-CB 4.35Å; M422-V447 HydrophobicContact CB-CG1 4.13Å; M422-V447 HydrophobicContact CB-CG2 3.99Å; M422-L479 HydrophobicContact CE-CD1 4.23Å; M422-L479 HydrophobicContact SD-CD1 4.13Å
423	S	98.4	Very high	93.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.9	168	-51.8	0	0	0	0	109.2	F223 V226 P445 F446	F223-S423 WeakPolarHBondContact O-CA 3.48Å; F223-S423 VanDerWaalsContact O-CB 3.24Å; F223-S423 WeakPolarHBondContact O-CB 3.48Å; V226-S423 WeakPolarHBondContact CB-OG 3.48Å; V226-S423 WeakPolarHBondContact O-CB 3.34Å; V226-S423 PolarHBondContact O-OG 2.95Å; S423-P445 WeakPolarHBondContact O-CB 3.27Å; S423-F446 PolarHBondContact N-O 3.08Å
424	D	97.8	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-75.3	-45.2	-177.1	60.9	-17.2	0	0	0	112.8	F223 D224 I256 T261 A264 I265 F382	F223-D424 PolarHBondContact O-N 2.94Å; D224-D424 WeakPolarHBondContact CA-OD1 3.02Å; I256-D424 WeakPolarHBondContact CG2-O 3.3Å; T261-D424 VanDerWaalsContact CA-OD2 3.3Å; T261-D424 WeakPolarHBondContact CA-OD2 3.43Å; T261-D424 VanDerWaalsContact CB-OD2 3.24Å; T261-D424 WeakPolarHBondContact CB-OD2 3.26Å; T261-D424 HydrophobicContact CG2-CB 4.39Å; T261-D424 WeakPolarHBondContact CG2-OD2 3.38Å; T261-D424 PolarHBondContact OG1-OD2 3.05Å; A264-D424 HydrophobicContact CB-CB 3.74Å; A264-D424 VanDerWaalsContact CB-O 3.31Å; A264-D424 WeakPolarHBondContact CB-O 3.09Å; I265-D424 HydrophobicContact CD1-CB 4.37Å; I265-D424 HydrophobicContact CG1-CB 4.49Å; F382-D424 HydrophobicContact CE2-CB 4.05Å; F382-D424 HydrophobicContact CZ-CB 4Å
425	H	96	Very high	92	Very high	3 Å²	3	23 Å²	23	1%	0.014	12%	0.119	C	C	.	.			trans	-160	172	177.3	51.8	73.9	0	0	0	110.4	D224 S225 V226 I256 G260 T261 R428	D224-H425 IonicContact OD1-CE1 2.76Å; S225-H425 CarbonylContact C-O 3.53Å; S225-H425 VanDerWaalsContact CA-O 3.27Å; S225-H425 WeakPolarHBondContact CA-O 3.3Å; S225-H425 WeakPolarHBondContact CB-CE1 3.33Å; S225-H425 WeakPolarHBondContact CB-ND1 3.43Å; S225-H425 WeakPolarHBondContact CB-O 3.36Å; S225-H425 PolarHBondContact OG-CE1 3.15Å; V226-H425 CarbonylContact C-O 3.51Å; V226-H425 PolarHBondContact N-O 3.02Å; I256-H425 HydrophobicContact CD1-CB 4.48Å; I256-H425 HydrophobicContact CG2-CB 3.73Å; G260-H425 WeakPolarHBondContact CA-CD2 3.42Å; G260-H425 VanDerWaalsContact CA-NE2 3.33Å; G260-H425 WeakPolarHBondContact CA-NE2 3.41Å; T261-H425 PolarHBondContact N-CD2 2.97Å; T261-H425 PolarHBondContact N-NE2 3.45Å; H425-R428 WeakPolarHBondContact CE1-CD 3.2Å; H425-R428 WeakPolarHBondContact ND1-CD 3.38Å; H425-R428 WeakPolarHBondContact NE2-CD 3.3Å
426	G	94.4	Very high	91.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-80.9	-169.6	166.4	0	0	0	0	0	112.5	R428 E442	G426-R428 PolarHBondContact O-N 2.85Å; G426-E442 PolarHBondContact N-O 3.29Å
427	S	89.7	Confident	91.1	Very high	21 Å²	21	23.6 Å²	23.6	15%	0.147	12%	0.122	C	C	.	.			trans	-66.6	132	-174.8	-168.1	0	0	0	0	112.8	S430 R433	S427-S430 WeakPolarHBondContact CB-OG 3.38Å; S427-S430 WeakPolarHBondContact OG-CB 3.33Å; S427-S430 PolarHBondContact OG-OG 3.31Å; S427-R433 VanDerWaalsContact O-CB 3.3Å; S427-R433 WeakPolarHBondContact O-CB 3.31Å; S427-R433 VanDerWaalsContact O-CD 3.26Å; S427-R433 WeakPolarHBondContact O-CD 3.32Å; S427-R433 WeakPolarHBondContact O-CG 3.09Å
428	R	80.6	Confident	90.8	Very high	51 Å²	51	23.6 Å²	23.6	19%	0.192	12%	0.122	C	C	.	.	S	Bend	trans	-99.3	-23.1	-175.8	-72.8	173.8	62.1	-164	2.5	116.7	D259 H425 G426 R433 E442	D259-R428 PolarHBondContact O-NH2 3.05Å; D259-R428 IonicContact OD1-CZ 2.68Å; D259-R428 IonicContact OD1-NE 3.39Å; D259-R428 PolarHBondContact OD1-NE 3.22Å; D259-R428 IonicContact OD1-NH2 3.35Å; D259-R428 PolarHBondContact OD1-NH2 3.47Å; D259-R428 IonicContact OD2-NH2 3.09Å; D259-R428 PolarHBondContact OD2-NH2 3.05Å; H425-R428 WeakPolarHBondContact CE1-CD 3.2Å; H425-R428 WeakPolarHBondContact ND1-CD 3.38Å; H425-R428 WeakPolarHBondContact NE2-CD 3.3Å; G426-R428 PolarHBondContact O-N 2.85Å; R428-R433 WeakPolarHBondContact O-CG 3.46Å; R428-E442 WeakPolarHBondContact CA-OE1 3.3Å; R428-E442 HydrophobicContact CG-CG 4.48Å; R428-E442 WeakPolarHBondContact CG-OE1 3.12Å
429	F	76.4	Confident	90.4	Very high	66 Å²	66	24.5 Å²	24.5	29%	0.289	13%	0.126	S	C	.	.	S	Bend	trans	-145.6	8.1	-173.6	60.4	-98.8	0	0	0	115.1	H388 I642 A644	H388-F429 AromaticContact CE1-CZ 3.98Å; F429-I642 WeakPolarHBondContact CA-O 3.34Å; F429-A644 HydrophobicContact CD2-CB 4.04Å; F429-A644 HydrophobicContact CE2-CB 4.37Å
430	S	82.7	Confident	90	Very high	23 Å²	23	25.8 Å²	25.8	16%	0.161	13%	0.133	C	C	.	.	S	Bend	trans	-82.4	176.4	-178.6	75.4	0	0	0	0	113	S427 V432 R433	S427-S430 WeakPolarHBondContact CB-OG 3.38Å; S427-S430 WeakPolarHBondContact OG-CB 3.33Å; S427-S430 PolarHBondContact OG-OG 3.31Å; S430-V432 PolarHBondContact O-N 3.36Å; S430-V432 WeakPolarHBondContact OG-CB 3.49Å; S430-V432 PolarHBondContact OG-N 3.14Å; S430-V432 VanDerWaalsContact OG-N 3.16Å; S430-R433 PolarHBondContact O-N 2.62Å
431	S	84	Confident	89.8	Confident	44 Å²	44	25.6 Å²	25.6	31%	0.308	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.1	167.7	48.3	0	0	0	0	112.5	R434	S431-R434 PolarHBondContact O-N 3.17Å
432	V	87.6	Confident	89.6	Confident	7 Å²	7	25.8 Å²	25.8	4%	0.042	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-50.9	177	162.8	0	0	0	0	110	I104 L107 M108 H391 S430 R434 T435 G438	I104-V432 HydrophobicContact CD1-CB 4.47Å; I104-V432 HydrophobicContact CD1-CG1 3.8Å; I104-V432 HydrophobicContact CD1-CG2 4.5Å; L107-V432 HydrophobicContact CB-CG2 4.08Å; L107-V432 HydrophobicContact CD1-CB 4.41Å; L107-V432 HydrophobicContact CD1-CG2 3.81Å; M108-V432 HydrophobicContact CE-CG2 3.76Å; H391-V432 VanDerWaalsContact CE1-CG2 3.43Å; H391-V432 WeakPolarHBondContact CE1-CG2 3.44Å; S430-V432 PolarHBondContact O-N 3.36Å; S430-V432 WeakPolarHBondContact OG-CB 3.49Å; S430-V432 PolarHBondContact OG-N 3.14Å; S430-V432 VanDerWaalsContact OG-N 3.16Å; V432-R434 PolarHBondContact O-N 3.13Å; V432-T435 WeakPolarHBondContact O-CB 3.32Å; V432-T435 PolarHBondContact O-N 3.44Å; V432-T435 PolarHBondContact O-OG1 3.26Å; V432-G438 WeakPolarHBondContact O-CA 3.46Å
433	R	88.6	Confident	89.4	Confident	3 Å²	3	26.5 Å²	26.5	1%	0.011	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.5	-179.9	178.7	51.4	175.7	86.1	-12.5	114.5	S427 R428 S430 T435 E442 E620	S427-R433 VanDerWaalsContact O-CB 3.3Å; S427-R433 WeakPolarHBondContact O-CB 3.31Å; S427-R433 VanDerWaalsContact O-CD 3.26Å; S427-R433 WeakPolarHBondContact O-CD 3.32Å; S427-R433 WeakPolarHBondContact O-CG 3.09Å; R428-R433 WeakPolarHBondContact O-CG 3.46Å; S430-R433 PolarHBondContact O-N 2.62Å; R433-T435 VanDerWaalsContact C-N 3.33Å; R433-E442 IonicContact CZ-OE1 2.69Å; R433-E442 IonicContact CZ-OE2 3.61Å; R433-E442 IonicContact NE-OE1 3.58Å; R433-E442 PolarHBondContact NE-OE1 3.46Å; R433-E442 IonicContact NE-OE2 3.57Å; R433-E442 PolarHBondContact NE-OE2 2.99Å; R433-E442 IonicContact NH2-OE1 2.76Å; R433-E442 IonicContact NH2-OE2 3.25Å; R433-E442 PolarHBondContact NH2-OE2 2.92Å; R433-E620 IonicContact CZ-OE1 3.47Å; R433-E620 IonicContact NH1-OE1 3.42Å; R433-E620 PolarHBondContact NH1-OE1 2.97Å; R433-E620 IonicContact NH1-OE2 3.81Å; R433-E620 IonicContact NH2-OE1 3.53Å; R433-E620 PolarHBondContact NH2-OE1 2.92Å
434	R	85	Confident	89.4	Confident	149 Å²	149	26.9 Å²	26.9	56%	0.562	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.5	-179.1	-67.8	-175	-70.9	140.1	-3.7	113.6	S431 V432	S431-R434 PolarHBondContact O-N 3.17Å; V432-R434 PolarHBondContact O-N 3.13Å
435	T	86.9	Confident	89.4	Confident	17 Å²	17	26.9 Å²	26.9	10%	0.104	14%	0.139	C	C	.	.	S	Bend	trans	-76.5	161.2	173.6	67.9	0	0	0	0	111.2	E103 I104 L107 V432 R433 Q437 G438 K439	E103-T435 HydrophobicContact CB-CG2 3.91Å; E103-T435 VanDerWaalsContact OE2-CB 3.29Å; E103-T435 WeakPolarHBondContact OE2-CB 3.36Å; I104-T435 HydrophobicContact CD1-CG2 4.26Å; I104-T435 WeakPolarHBondContact CD1-OG1 3.46Å; L107-T435 HydrophobicContact CD1-CG2 3.87Å; V432-T435 WeakPolarHBondContact O-CB 3.32Å; V432-T435 PolarHBondContact O-N 3.44Å; V432-T435 PolarHBondContact O-OG1 3.26Å; R433-T435 VanDerWaalsContact C-N 3.33Å; T435-Q437 PolarHBondContact O-N 3.16Å; T435-G438 PolarHBondContact O-N 3.15Å; T435-G438 WeakPolarHBondContact OG1-CA 3.4Å; T435-G438 PolarHBondContact OG1-N 3.05Å; T435-K439 WeakPolarHBondContact O-CG 3.34Å; T435-K439 PolarHBondContact O-N 3.01Å
436	S	84.3	Confident	89.5	Confident	88 Å²	88	26.8 Å²	26.8	62%	0.615	14%	0.138	S	C	*	.	H	α-helix	trans	-64.5	-42.7	179.7	-60.4	0	0	0	0	111.5	E103 K439	E103-S436 PolarHBondContact OE2-N 3.19Å; E103-S436 VanDerWaalsContact OE2-N 3.13Å; S436-K439 PolarHBondContact O-N 3.44Å
437	Q	89.5	Confident	89.7	Confident	10 Å²	10	26.8 Å²	26.8	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-36.8	176.9	-177.7	164.6	-68.8	0	0	112.3	H98 D101 I104 T435 K439 L440 E441	H98-Q437 PolarHBondContact O-NE2 2.66Å; D101-Q437 VanDerWaalsContact CB-CD 3.42Å; D101-Q437 VanDerWaalsContact CB-NE2 3.25Å; D101-Q437 VanDerWaalsContact CB-OE1 3.28Å; D101-Q437 PolarHBondContact OD2-OE1 3.33Å; I104-Q437 HydrophobicContact CD1-CB 4.43Å; I104-Q437 HydrophobicContact CG1-CB 4.11Å; I104-Q437 HydrophobicContact CG1-CG 4.2Å; T435-Q437 PolarHBondContact O-N 3.16Å; Q437-K439 PolarHBondContact O-N 2.91Å; Q437-L440 WeakPolarHBondContact O-CA 3.22Å; Q437-L440 WeakPolarHBondContact O-CB 3.32Å; Q437-L440 PolarHBondContact O-N 3.49Å; Q437-E441 HydrophobicContact CG-CG 4.09Å; Q437-E441 PolarHBondContact NE2-OE1 2.93Å; Q437-E441 PolarHBondContact O-N 2.94Å
438	G	90.9	Very high	90.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-31.8	177.3	0	0	0	0	0	113.6	V432 T435 L440 E441 E442	V432-G438 WeakPolarHBondContact O-CA 3.46Å; T435-G438 PolarHBondContact O-N 3.15Å; T435-G438 WeakPolarHBondContact OG1-CA 3.4Å; T435-G438 PolarHBondContact OG1-N 3.05Å; G438-L440 VanDerWaalsContact C-N 3.29Å; G438-L440 PolarHBondContact O-N 2.68Å; G438-E441 PolarHBondContact O-N 2.91Å; G438-E442 PolarHBondContact O-N 2.91Å
439	K	89.6	Confident	91	Very high	24 Å²	24	23.4 Å²	23.4	10%	0.104	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-34.9	171.9	-52.6	-161.1	-178.4	-169.4	0	112.3	T435 S436 Q437 D571 E620	T435-K439 WeakPolarHBondContact O-CG 3.34Å; T435-K439 PolarHBondContact O-N 3.01Å; S436-K439 PolarHBondContact O-N 3.44Å; Q437-K439 PolarHBondContact O-N 2.91Å; K439-D571 IonicContact NZ-OD2 3.11Å; K439-E620 WeakPolarHBondContact CE-OE2 3.25Å; K439-E620 IonicContact NZ-OE2 2.89Å; K439-E620 PolarHBondContact NZ-OE2 3.45Å
440	L	91.3	Very high	92.1	Very high	28 Å²	28	20.6 Å²	20.6	15%	0.147	11%	0.11	C	C	.	.	H	α-helix	trans	-79.3	-38.9	177.5	-60.1	174.7	0	0	0	111.8	Q95 Q97 Q437 G438 E442 L443 N444	Q95-L440 HydrophobicContact CB-CD1 3.7Å; Q95-L440 HydrophobicContact CB-CD2 4.17Å; Q97-L440 HydrophobicContact CG-CB 4.06Å; Q97-L440 HydrophobicContact CG-CD1 4.33Å; Q97-L440 PolarHBondContact NE2-O 3.39Å; Q437-L440 WeakPolarHBondContact O-CA 3.22Å; Q437-L440 WeakPolarHBondContact O-CB 3.32Å; Q437-L440 PolarHBondContact O-N 3.49Å; G438-L440 VanDerWaalsContact C-N 3.29Å; G438-L440 PolarHBondContact O-N 2.68Å; L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 2.71Å; L440-L443 PolarHBondContact O-N 2.99Å; L440-N444 PolarHBondContact O-N 3.07Å
441	E	95	Very high	92.8	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-30.1	177.6	-78	-165	-145.3	0	0	112.5	S227 L229 R233 Q437 G438 L443 N444	S227-E441 WeakPolarHBondContact CB-O 3.24Å; S227-E441 PolarHBondContact OG-OE2 2.79Å; L229-E441 HydrophobicContact CD1-CG 4.4Å; R233-E441 IonicContact CZ-OE1 3.76Å; R233-E441 IonicContact CZ-OE2 2.88Å; R233-E441 IonicContact NH1-OE1 2.61Å; R233-E441 PolarHBondContact NH1-OE1 2.85Å; R233-E441 VanDerWaalsContact NH1-OE1 3.08Å; R233-E441 IonicContact NH1-OE2 3.99Å; R233-E441 PolarHBondContact NH1-OE2 2.91Å; R233-E441 IonicContact NH2-OE1 3.9Å; R233-E441 PolarHBondContact NH2-OE1 2.85Å; R233-E441 IonicContact NH2-OE2 3.78Å; Q437-E441 HydrophobicContact CG-CG 4.09Å; Q437-E441 PolarHBondContact NE2-OE1 2.93Å; Q437-E441 PolarHBondContact O-N 2.94Å; G438-E441 PolarHBondContact O-N 2.91Å; E441-L443 VanDerWaalsContact C-N 3.27Å; E441-L443 PolarHBondContact O-N 3.48Å; E441-N444 PolarHBondContact O-N 2.67Å
442	E	94.9	Very high	93.4	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-55.1	-44.2	169.9	-179.7	-177.8	-124.1	0	0	111.9	I256 G426 R428 R433 G438 L440 N444	I256-E442 HydrophobicContact CD1-CG 4.37Å; G426-E442 PolarHBondContact N-O 3.29Å; R428-E442 WeakPolarHBondContact CA-OE1 3.3Å; R428-E442 HydrophobicContact CG-CG 4.48Å; R428-E442 WeakPolarHBondContact CG-OE1 3.12Å; R433-E442 IonicContact CZ-OE1 2.69Å; R433-E442 IonicContact CZ-OE2 3.61Å; R433-E442 IonicContact NE-OE1 3.58Å; R433-E442 PolarHBondContact NE-OE1 3.46Å; R433-E442 IonicContact NE-OE2 3.57Å; R433-E442 PolarHBondContact NE-OE2 2.99Å; R433-E442 IonicContact NH2-OE1 2.76Å; R433-E442 IonicContact NH2-OE2 3.25Å; R433-E442 PolarHBondContact NH2-OE2 2.92Å; G438-E442 PolarHBondContact O-N 2.91Å; L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 2.71Å; E442-N444 VanDerWaalsContact C-N 3.3Å; E442-N444 PolarHBondContact O-N 3.11Å
443	L	94.7	Very high	93.6	Very high	14 Å²	14	21.4 Å²	21.4	7%	0.073	12%	0.115	C	C	.	.	H	α-helix	trans	-74.3	-21.1	-174.7	-54	-177.4	0	0	0	113.1	N255 I256 L440 E441 P445 W523 P525	N255-L443 VanDerWaalsContact CA-O 3.3Å; N255-L443 WeakPolarHBondContact CA-O 3.42Å; N255-L443 PolarHBondContact OD1-O 2.9Å; I256-L443 HydrophobicContact CD1-CD2 3.72Å; I256-L443 HydrophobicContact CG1-CD2 4.01Å; I256-L443 PolarHBondContact N-O 3.13Å; I256-L443 VanDerWaalsContact N-O 3.08Å; L440-L443 PolarHBondContact O-N 2.99Å; E441-L443 VanDerWaalsContact C-N 3.27Å; E441-L443 PolarHBondContact O-N 3.48Å; L443-P445 VanDerWaalsContact O-CD 3.24Å; L443-P445 WeakPolarHBondContact O-CD 3.47Å; L443-W523 HydrophobicContact CD2-CE3 3.66Å; L443-W523 HydrophobicContact CD2-CZ3 4.25Å; L443-P525 HydrophobicContact CD1-CB 4.48Å
444	N	96.6	Very high	93.9	Very high	9 Å²	9	25 Å²	25	5%	0.048	13%	0.129	C	C	.	.			trans	-119.4	77.7	-170.5	-175.9	-132.5	0	0	0	111.4	R228 E252 Y254 L440 E441 E442	R228-N444 PolarHBondContact N-O 3.41Å; E252-N444 PolarHBondContact O-ND2 2.94Å; E252-N444 PolarHBondContact O-OD1 2.74Å; Y254-N444 PolarHBondContact O-ND2 2.74Å; L440-N444 PolarHBondContact O-N 3.07Å; E441-N444 PolarHBondContact O-N 2.67Å; E442-N444 VanDerWaalsContact C-N 3.3Å; E442-N444 PolarHBondContact O-N 3.11Å
445	P	98.2	Very high	94.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-67.6	160.9	175.6	27.8	-32.9	0	0	0	112	V226 Y254 I256 S423 L443 V447	V226-P445 WeakPolarHBondContact O-CA 3.31Å; Y254-P445 HydrophobicContact CD1-CG 3.68Å; Y254-P445 HydrophobicContact CE1-CG 3.83Å; I256-P445 HydrophobicContact CG2-CG 3.93Å; S423-P445 WeakPolarHBondContact O-CB 3.27Å; L443-P445 VanDerWaalsContact O-CD 3.24Å; L443-P445 WeakPolarHBondContact O-CD 3.47Å; P445-V447 PolarHBondContact O-N 3Å
446	F	98.6	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.			trans	-68.8	129.3	171.9	-177.3	-103.5	0	0	0	109.8	V226 R228 F231 Y239 I242 V250 V421 M422 S423	V226-F446 PolarHBondContact O-N 3.16Å; V226-F446 VanDerWaalsContact O-N 3.17Å; R228-F446 HydrophobicContact CG-CD2 4.43Å; F231-F446 HydrophobicContact CB-CB 3.56Å; F231-F446 HydrophobicContact CB-CD1 4.38Å; F231-F446 HydrophobicContact CB-CD2 3.89Å; F231-F446 HydrophobicContact CB-CG 3.68Å; F231-F446 AromaticContact CD1-CD1 3.77Å; F231-F446 HydrophobicContact CD1-CD1 3.77Å; F231-F446 AromaticContact CD1-CD2 3.71Å; F231-F446 HydrophobicContact CD1-CD2 3.71Å; F231-F446 AromaticContact CD1-CE1 3.81Å; F231-F446 HydrophobicContact CD1-CE1 3.81Å; F231-F446 AromaticContact CD1-CE2 3.77Å; F231-F446 HydrophobicContact CD1-CE2 3.77Å; F231-F446 AromaticContact CD1-CG 3.71Å; F231-F446 HydrophobicContact CD1-CG 3.71Å; F231-F446 AromaticContact CD1-CZ 3.82Å; F231-F446 HydrophobicContact CD1-CZ 3.82Å; F231-F446 HydrophobicContact CD2-CB 3.91Å; F231-F446 AromaticContact CD2-CD1 3.58Å; F231-F446 HydrophobicContact CD2-CD1 3.58Å; F231-F446 HydrophobicContact CD2-CE1 4.25Å; F231-F446 AromaticContact CD2-CG 3.75Å; F231-F446 HydrophobicContact CD2-CG 3.75Å; F231-F446 AromaticContact CE1-CD1 3.86Å; F231-F446 HydrophobicContact CE1-CD1 3.86Å; F231-F446 HydrophobicContact CE1-CD2 4.4Å; F231-F446 AromaticContact CE1-CE1 3.53Å; F231-F446 HydrophobicContact CE1-CE1 3.53Å; F231-F446 HydrophobicContact CE1-CE2 4.13Å; F231-F446 HydrophobicContact CE1-CG 4.28Å; F231-F446 AromaticContact CE1-CZ 3.68Å; F231-F446 HydrophobicContact CE1-CZ 3.68Å; F231-F446 AromaticContact CE2-CD1 3.68Å; F231-F446 HydrophobicContact CE2-CD1 3.68Å; F231-F446 AromaticContact CE2-CE1 4Å; F231-F446 HydrophobicContact CE2-CE1 4Å; F231-F446 HydrophobicContact CE2-CG 4.31Å; F231-F446 HydrophobicContact CG-CB 3.75Å; F231-F446 AromaticContact CG-CD1 3.64Å; F231-F446 HydrophobicContact CG-CD1 3.64Å; F231-F446 AromaticContact CG-CD2 3.8Å; F231-F446 HydrophobicContact CG-CD2 3.8Å; F231-F446 HydrophobicContact CG-CE1 4.17Å; F231-F446 HydrophobicContact CG-CE2 4.33Å; F231-F446 AromaticContact CG-CG 3.42Å; F231-F446 HydrophobicContact CG-CG 3.42Å; F231-F446 VanDerWaalsContact CG-CG 3.42Å; F231-F446 HydrophobicContact CG-CZ 4.49Å; F231-F446 AromaticContact CZ-CD1 3.82Å; F231-F446 HydrophobicContact CZ-CD1 3.82Å; F231-F446 AromaticContact CZ-CE1 3.63Å; F231-F446 HydrophobicContact CZ-CE1 3.63Å; F231-F446 HydrophobicContact CZ-CZ 4.26Å; Y239-F446 AromaticContact CD2-CE2 3.62Å; Y239-F446 HydrophobicContact CD2-CE2 3.62Å; Y239-F446 HydrophobicContact CD2-CZ 4.05Å; Y239-F446 AromaticContact CE2-CE2 3.78Å; Y239-F446 HydrophobicContact CE2-CE2 3.78Å; Y239-F446 HydrophobicContact CE2-CZ 4.48Å; I242-F446 HydrophobicContact CD1-CE1 4.29Å; I242-F446 HydrophobicContact CD1-CZ 4.38Å; V250-F446 HydrophobicContact CG1-CE2 4.22Å; V250-F446 HydrophobicContact CG2-CE2 4.16Å; V250-F446 HydrophobicContact CG2-CZ 4.47Å; V421-F446 HydrophobicContact CB-CE1 4.24Å; V421-F446 HydrophobicContact CG1-CD1 4.42Å; V421-F446 HydrophobicContact CG1-CE1 3.99Å; M422-F446 CarbonylContact C-O 3.58Å; M422-F446 VanDerWaalsContact C-O 3.25Å; M422-F446 WeakPolarHBondContact CA-O 3.01Å; S423-F446 PolarHBondContact N-O 3.08Å
447	V	98.8	Very high	95.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	132.5	168.5	-175.6	0	0	0	0	108.9	V250 L251 Y254 V420 V421 M422 P445 L479	V250-V447 CarbonylContact C-O 3.58Å; V250-V447 WeakPolarHBondContact CA-O 3.28Å; L251-V447 HydrophobicContact CB-CB 4.22Å; L251-V447 HydrophobicContact CB-CG1 4.46Å; L251-V447 HydrophobicContact CD1-CB 4.28Å; L251-V447 HydrophobicContact CD1-CG1 3.67Å; L251-V447 HydrophobicContact CG-CB 4.37Å; L251-V447 HydrophobicContact CG-CG1 4.08Å; L251-V447 PolarHBondContact N-O 3.15Å; Y254-V447 HydrophobicContact CD1-CB 4.45Å; Y254-V447 HydrophobicContact CD1-CG2 3.38Å; Y254-V447 HydrophobicContact CD2-CB 4.31Å; Y254-V447 HydrophobicContact CD2-CG1 4.41Å; Y254-V447 HydrophobicContact CD2-CG2 3.89Å; Y254-V447 HydrophobicContact CE1-CG2 3.6Å; Y254-V447 HydrophobicContact CE2-CG2 4.1Å; Y254-V447 HydrophobicContact CG-CB 4.11Å; Y254-V447 HydrophobicContact CG-CG2 3.49Å; Y254-V447 VanDerWaalsContact CG-CG2 3.49Å; V420-V447 HydrophobicContact CG1-CG1 4.33Å; V421-V447 CarbonylContact O-C 3.59Å; V421-V447 WeakPolarHBondContact O-CA 3.49Å; M422-V447 HydrophobicContact CB-CB 4.35Å; M422-V447 HydrophobicContact CB-CG1 4.13Å; M422-V447 HydrophobicContact CB-CG2 3.99Å; P445-V447 PolarHBondContact O-N 3Å; V447-L479 HydrophobicContact CG1-CD1 4.12Å; V447-L479 HydrophobicContact CG1-CD2 4.5Å
448	S	98.8	Very high	95.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144	171.8	67.7	0	0	0	0	111.4	I249 V420 V421	I249-S448 CarbonylContact O-C 3.02Å; I249-S448 VanDerWaalsContact O-CA 3.26Å; I249-S448 WeakPolarHBondContact O-CA 3.49Å; V420-S448 WeakPolarHBondContact CA-O 3.48Å; V421-S448 PolarHBondContact N-O 3.27Å; V421-S448 PolarHBondContact O-N 3.44Å; V421-S448 PolarHBondContact O-OG 2.76Å
449	V	98.8	Very high	95.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.5	176.7	-176.3	0	0	0	0	109.1	G248 I249 I418 L419 V420 L451 L466 L479 L504	G248-V449 WeakPolarHBondContact CA-O 3.42Å; I249-V449 PolarHBondContact N-O 3.21Å; I249-V449 PolarHBondContact O-N 2.75Å; I418-V449 HydrophobicContact CG2-CG1 4.13Å; L419-V449 WeakPolarHBondContact O-CA 3.34Å; V420-V449 HydrophobicContact CG2-CG2 4.47Å; V449-L451 HydrophobicContact CG1-CD2 4.11Å; V449-L466 HydrophobicContact CB-CD1 4.22Å; V449-L466 HydrophobicContact CB-CD2 4.13Å; V449-L466 HydrophobicContact CG1-CD1 4.45Å; V449-L466 HydrophobicContact CG1-CD2 3.86Å; V449-L466 HydrophobicContact CG2-CD1 4.35Å; V449-L479 HydrophobicContact CG2-CD2 4.42Å; V449-L504 HydrophobicContact CG2-CD1 3.97Å
450	V	98.6	Very high	95.9	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.5	173.6	175.4	0	0	0	0	107.6	I242 L246 L419	I242-V450 HydrophobicContact CG2-CG2 4.32Å; L246-V450 HydrophobicContact CB-CG1 3.94Å; L246-V450 HydrophobicContact CB-CG2 3.98Å; L246-V450 HydrophobicContact CD1-CG2 4.33Å; L419-V450 HydrophobicContact CB-CB 4.04Å; L419-V450 HydrophobicContact CD2-CB 4.24Å; L419-V450 HydrophobicContact CD2-CG2 4.21Å; L419-V450 HydrophobicContact CG-CB 4.33Å; L419-V450 PolarHBondContact N-O 2.8Å; L419-V450 PolarHBondContact O-N 2.76Å
451	L	97.9	Very high	96.2	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	19%	0.191	C	C	.	.			trans	-102	151.5	177.5	-61.6	177.3	0	0	0	110.2	I418 V449 F455 A463 L466 F505	I418-L451 HydrophobicContact CG1-CD2 4.15Å; I418-L451 HydrophobicContact CG2-CD2 4.34Å; V449-L451 HydrophobicContact CG1-CD2 4.11Å; L451-F455 HydrophobicContact CB-CB 4.26Å; L451-F455 HydrophobicContact CB-CD1 4.47Å; L451-F455 HydrophobicContact CB-CG 4.39Å; L451-F455 HydrophobicContact CD1-CD1 3.61Å; L451-F455 HydrophobicContact CD1-CE1 3.81Å; L451-F455 HydrophobicContact CD1-CG 4.29Å; L451-F455 HydrophobicContact CG-CD1 4.44Å; L451-A463 HydrophobicContact CD1-CB 4.45Å; L451-L466 HydrophobicContact CD1-CD2 3.51Å; L451-L466 HydrophobicContact CD2-CD2 4.01Å; L451-L466 HydrophobicContact CG-CD2 3.74Å; L451-F505 HydrophobicContact CD1-CE1 4.5Å; L451-F505 HydrophobicContact CD2-CE1 3.87Å; L451-F505 HydrophobicContact CD2-CZ 4.09Å
452	P	96.9	Very high	96.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.013	19%	0.192	C	C	.	.			trans	-52.4	147.9	166.9	-25.9	35.1	0	0	0	112.2	V216 N415 T417 W454 F455	V216-P452 HydrophobicContact CG1-CG 4.46Å; N415-P452 WeakPolarHBondContact O-CB 3.21Å; T417-P452 WeakPolarHBondContact O-CD 3.41Å; T417-P452 WeakPolarHBondContact O-CG 3.27Å; P452-W454 VanDerWaalsContact C-N 3.33Å; P452-W454 HydrophobicContact CB-CD2 4.25Å; P452-W454 HydrophobicContact CB-CG 4.33Å; P452-W454 HydrophobicContact CB-CZ2 4.05Å; P452-W454 VanDerWaalsContact CB-NE1 3.32Å; P452-W454 HydrophobicContact CG-CZ2 4.08Å; P452-W454 PolarHBondContact O-N 2.74Å; P452-F455 HydrophobicContact CB-CB 4.29Å; P452-F455 VanDerWaalsContact O-CB 3.25Å; P452-F455 WeakPolarHBondContact O-CB 3.44Å; P452-F455 PolarHBondContact O-N 3.24Å; P452-F455 VanDerWaalsContact O-N 3.07Å
453	S	91.6	Very high	96.3	Very high	80 Å²	80	37.3 Å²	37.3	56%	0.559	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.6	-177	59.9	0	0	0	0	112.4	N415 F455	N415-S453 PolarHBondContact OD1-OG 2.03Å; S453-F455 VanDerWaalsContact C-N 3.27Å; S453-F455 PolarHBondContact O-N 3Å
454	W	96	Very high	96.4	Very high	78 Å²	78	39.4 Å²	39.4	30%	0.295	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.5	177.8	61.8	-99.3	0	0	0	113.1	L214 V216 N415 P452 R456 Q457 A458 Y459	L214-W454 HydrophobicContact CD1-CH2 3.97Å; L214-W454 HydrophobicContact CD1-CZ3 4.42Å; V216-W454 HydrophobicContact CG1-CH2 3.89Å; V216-W454 HydrophobicContact CG1-CZ2 3.61Å; N415-W454 VanDerWaalsContact O-CD1 3.3Å; N415-W454 PolarHBondContact O-NE1 3.27Å; P452-W454 VanDerWaalsContact C-N 3.33Å; P452-W454 HydrophobicContact CB-CD2 4.25Å; P452-W454 HydrophobicContact CB-CG 4.33Å; P452-W454 HydrophobicContact CB-CZ2 4.05Å; P452-W454 VanDerWaalsContact CB-NE1 3.32Å; P452-W454 HydrophobicContact CG-CZ2 4.08Å; P452-W454 PolarHBondContact O-N 2.74Å; W454-R456 VanDerWaalsContact C-N 3.25Å; W454-R456 PolarHBondContact O-N 3.03Å; W454-Q457 PolarHBondContact O-N 2.95Å; W454-A458 HydrophobicContact CE3-CB 4Å; W454-A458 HydrophobicContact CZ3-CB 4.31Å; W454-A458 PolarHBondContact O-N 3.45Å; W454-Y459 HydrophobicContact CZ3-CD2 4.32Å; W454-Y459 AromaticContact CZ3-CE2 3.85Å; W454-Y459 HydrophobicContact CZ3-CE2 3.85Å
455	F	95.8	Very high	96.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-39.5	-175.6	-173	-74.7	0	0	0	111.3	L214 L451 P452 S453 Q457 A458 Y459 L462 A463 F489 F505	L214-F455 HydrophobicContact CD2-CD2 4.11Å; L214-F455 HydrophobicContact CD2-CE2 3.64Å; L451-F455 HydrophobicContact CB-CB 4.26Å; L451-F455 HydrophobicContact CB-CD1 4.47Å; L451-F455 HydrophobicContact CB-CG 4.39Å; L451-F455 HydrophobicContact CD1-CD1 3.61Å; L451-F455 HydrophobicContact CD1-CE1 3.81Å; L451-F455 HydrophobicContact CD1-CG 4.29Å; L451-F455 HydrophobicContact CG-CD1 4.44Å; P452-F455 HydrophobicContact CB-CB 4.29Å; P452-F455 VanDerWaalsContact O-CB 3.25Å; P452-F455 WeakPolarHBondContact O-CB 3.44Å; P452-F455 PolarHBondContact O-N 3.24Å; P452-F455 VanDerWaalsContact O-N 3.07Å; S453-F455 VanDerWaalsContact C-N 3.27Å; S453-F455 PolarHBondContact O-N 3Å; F455-Q457 VanDerWaalsContact C-N 3.25Å; F455-Q457 PolarHBondContact O-N 3.32Å; F455-A458 PolarHBondContact O-N 2.91Å; F455-Y459 HydrophobicContact CD1-CD2 4.38Å; F455-Y459 AromaticContact CD2-CD2 3.99Å; F455-Y459 HydrophobicContact CD2-CD2 3.99Å; F455-Y459 HydrophobicContact CE1-CD2 4.35Å; F455-Y459 AromaticContact CE2-CD2 3.97Å; F455-Y459 HydrophobicContact CE2-CD2 3.97Å; F455-Y459 HydrophobicContact CG-CD2 4.22Å; F455-Y459 HydrophobicContact CZ-CD2 4.16Å; F455-Y459 PolarHBondContact O-N 2.89Å; F455-L462 HydrophobicContact CE1-CB 4.15Å; F455-L462 HydrophobicContact CZ-CB 4.37Å; F455-A463 HydrophobicContact CD1-CB 4.47Å; F455-F489 AromaticContact CE2-CE2 3.99Å; F455-F489 HydrophobicContact CE2-CE2 3.99Å; F455-F489 AromaticContact CE2-CZ 3.69Å; F455-F489 HydrophobicContact CE2-CZ 3.69Å; F455-F489 HydrophobicContact CZ-CE2 4.06Å; F455-F489 AromaticContact CZ-CZ 3.63Å; F455-F489 HydrophobicContact CZ-CZ 3.63Å; F455-F505 HydrophobicContact CE1-CD1 4.28Å; F455-F505 AromaticContact CE1-CE1 3.92Å; F455-F505 HydrophobicContact CE1-CE1 3.92Å; F455-F505 HydrophobicContact CE2-CE1 4.22Å; F455-F505 HydrophobicContact CE2-CZ 4.11Å; F455-F505 AromaticContact CZ-CD1 3.86Å; F455-F505 HydrophobicContact CZ-CD1 3.86Å; F455-F505 AromaticContact CZ-CE1 3.43Å; F455-F505 HydrophobicContact CZ-CE1 3.43Å; F455-F505 VanDerWaalsContact CZ-CE1 3.43Å; F455-F505 HydrophobicContact CZ-CE2 4.41Å; F455-F505 AromaticContact CZ-CZ 3.74Å; F455-F505 HydrophobicContact CZ-CZ 3.74Å
456	R	92.1	Very high	96.4	Very high	94 Å²	94	39.8 Å²	39.8	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-29.6	179.4	-62.8	-178.3	-176.8	177.2	-0.5	113	K247 W454 P460 A463	K247-R456 VanDerWaalsContact CB-NH2 3.29Å; K247-R456 PolarHBondContact O-NH2 2.79Å; W454-R456 VanDerWaalsContact C-N 3.25Å; W454-R456 PolarHBondContact O-N 3.03Å; R456-P460 WeakPolarHBondContact O-CA 3.34Å; R456-A463 HydrophobicContact CB-CB 4.39Å; R456-A463 HydrophobicContact CG-CB 4.05Å
457	Q	94.3	Very high	96.4	Very high	165 Å²	165	47.1 Å²	47.1	77%	0.771	25%	0.246	S	C	*	.	H	α-helix	trans	-81.8	-41.2	178.6	-60.8	176.1	13.7	0	0	110.6	W454 F455	W454-Q457 PolarHBondContact O-N 2.95Å; F455-Q457 VanDerWaalsContact C-N 3.25Å; F455-Q457 PolarHBondContact O-N 3.32Å
458	A	95.2	Very high	96.4	Very high	55 Å²	55	49.8 Å²	49.8	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-73.4	-35.3	179.5	0	0	0	0	0	113.2	W454 F455	W454-A458 HydrophobicContact CE3-CB 4Å; W454-A458 HydrophobicContact CZ3-CB 4.31Å; W454-A458 PolarHBondContact O-N 3.45Å; F455-A458 PolarHBondContact O-N 2.91Å
459	Y	95.2	Very high	96.3	Very high	81 Å²	81	49.8 Å²	49.8	32%	0.318	26%	0.259	S	S	.	.			trans	-135.2	63.2	-174.5	-50.1	-65.4	0	0	0	112	L214 W454 F455 D461 L462 A463 F489	L214-Y459 HydrophobicContact CD1-CE2 3.73Å; W454-Y459 HydrophobicContact CZ3-CD2 4.32Å; W454-Y459 AromaticContact CZ3-CE2 3.85Å; W454-Y459 HydrophobicContact CZ3-CE2 3.85Å; F455-Y459 HydrophobicContact CD1-CD2 4.38Å; F455-Y459 AromaticContact CD2-CD2 3.99Å; F455-Y459 HydrophobicContact CD2-CD2 3.99Å; F455-Y459 HydrophobicContact CE1-CD2 4.35Å; F455-Y459 AromaticContact CE2-CD2 3.97Å; F455-Y459 HydrophobicContact CE2-CD2 3.97Å; F455-Y459 HydrophobicContact CG-CD2 4.22Å; F455-Y459 HydrophobicContact CZ-CD2 4.16Å; F455-Y459 PolarHBondContact O-N 2.89Å; Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 2.79Å; Y459-L462 PolarHBondContact O-N 2.97Å; Y459-A463 PolarHBondContact O-N 3.15Å; Y459-F489 AromaticContact CD1-CE1 3.74Å; Y459-F489 HydrophobicContact CD1-CE1 3.74Å; Y459-F489 HydrophobicContact CD1-CZ 4.49Å; Y459-F489 AromaticContact CD2-CE1 3.79Å; Y459-F489 HydrophobicContact CD2-CE1 3.79Å; Y459-F489 AromaticContact CD2-CZ 3.88Å; Y459-F489 HydrophobicContact CD2-CZ 3.88Å; Y459-F489 HydrophobicContact CE1-CD1 4.29Å; Y459-F489 AromaticContact CE1-CE1 3.67Å; Y459-F489 HydrophobicContact CE1-CE1 3.67Å; Y459-F489 AromaticContact CE2-CE1 3.69Å; Y459-F489 HydrophobicContact CE2-CE1 3.69Å; Y459-F489 HydrophobicContact CE2-CZ 4.04Å; Y459-F489 AromaticContact CG-CE1 3.8Å; Y459-F489 HydrophobicContact CG-CE1 3.8Å; Y459-F489 HydrophobicContact CG-CZ 4.11Å; Y459-F489 AromaticContact CZ-CE1 3.65Å
460	P	95.6	Very high	96.3	Very high	73 Å²	73	49.8 Å²	49.8	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-59.1	-38.3	-174.9	23.3	-34	0	0	0	112.9	R456 A463 S464	R456-P460 WeakPolarHBondContact O-CA 3.34Å; P460-A463 PolarHBondContact O-N 2.85Å; P460-S464 WeakPolarHBondContact O-CB 3.5Å; P460-S464 PolarHBondContact O-N 3.21Å
461	D	96.4	Very high	96.2	Very high	99 Å²	99	54.7 Å²	54.7	53%	0.529	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-40.8	179.2	-63.1	-35.5	0	0	0	112.3	Y459 S464 N465 P492	Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 2.79Å; D461-S464 WeakPolarHBondContact O-CB 3.41Å; D461-S464 PolarHBondContact O-N 2.77Å; D461-N465 VanDerWaalsContact O-CG 3.22Å; D461-N465 PolarHBondContact O-N 3.11Å; D461-N465 PolarHBondContact O-OD1 3.24Å; D461-P492 HydrophobicContact CB-CB 3.92Å; D461-P492 HydrophobicContact CB-CG 3.9Å
462	L	95.9	Very high	96.1	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-70.3	-37.9	178.3	-80.1	61	0	0	0	111	F455 Y459 S464 N465 L466 F489 P492 F505	F455-L462 HydrophobicContact CE1-CB 4.15Å; F455-L462 HydrophobicContact CZ-CB 4.37Å; Y459-L462 PolarHBondContact O-N 2.97Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-N465 PolarHBondContact O-N 3.23Å; L462-L466 PolarHBondContact O-N 3.1Å; L462-F489 HydrophobicContact CD2-CD1 4.35Å; L462-F489 HydrophobicContact CD2-CE1 3.41Å; L462-F489 VanDerWaalsContact CD2-CE1 3.41Å; L462-F489 HydrophobicContact CD2-CE2 3.89Å; L462-F489 HydrophobicContact CD2-CZ 3.15Å; L462-P492 HydrophobicContact CD1-CB 3.73Å; L462-P492 HydrophobicContact CD1-CG 3.43Å; L462-P492 VanDerWaalsContact CD1-CG 3.43Å; L462-F505 HydrophobicContact CB-CB 4.17Å; L462-F505 HydrophobicContact CB-CD1 4.24Å; L462-F505 HydrophobicContact CB-CG 4.49Å; L462-F505 HydrophobicContact CD2-CB 4.05Å; L462-F505 HydrophobicContact CD2-CG 4.4Å; L462-F505 HydrophobicContact CG-CB 3.97Å
463	A	96.1	Very high	96.1	Very high	13 Å²	13	57.5 Å²	57.5	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-37.5	172.7	0	0	0	0	0	111.8	L451 F455 R456 Y459 P460 L466 K467	L451-A463 HydrophobicContact CD1-CB 4.45Å; F455-A463 HydrophobicContact CD1-CB 4.47Å; R456-A463 HydrophobicContact CB-CB 4.39Å; R456-A463 HydrophobicContact CG-CB 4.05Å; Y459-A463 PolarHBondContact O-N 3.15Å; P460-A463 PolarHBondContact O-N 2.85Å; A463-L466 PolarHBondContact O-N 3.17Å; A463-K467 PolarHBondContact O-N 2.97Å; A463-K467 VanDerWaalsContact O-N 3.09Å
464	S	96.9	Very high	96.4	Very high	58 Å²	58	53.7 Å²	53.7	41%	0.406	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-45.3	173.3	-170.5	0	0	0	0	111.4	P460 D461 L462 L466 K467 I468	P460-S464 WeakPolarHBondContact O-CB 3.5Å; P460-S464 PolarHBondContact O-N 3.21Å; D461-S464 WeakPolarHBondContact O-CB 3.41Å; D461-S464 PolarHBondContact O-N 2.77Å; L462-S464 VanDerWaalsContact C-N 3.32Å; S464-L466 PolarHBondContact O-N 3.41Å; S464-K467 WeakPolarHBondContact O-CB 3.38Å; S464-K467 PolarHBondContact O-N 2.68Å; S464-K467 VanDerWaalsContact O-N 3.1Å; S464-I468 WeakPolarHBondContact O-CG1 3.25Å; S464-I468 PolarHBondContact O-N 3.23Å
465	N	97.7	Very high	96.5	Very high	16 Å²	16	50 Å²	50	9%	0.086	25%	0.25	C	C	.	.	H	α-helix	trans	-57.3	-47	174.9	-70.6	-14.2	0	0	0	111.4	D461 L462 K467 I468 N469 F505	D461-N465 VanDerWaalsContact O-CG 3.22Å; D461-N465 PolarHBondContact O-N 3.11Å; D461-N465 PolarHBondContact O-OD1 3.24Å; L462-N465 PolarHBondContact O-N 3.23Å; N465-K467 VanDerWaalsContact C-N 3.3Å; N465-K467 PolarHBondContact O-N 3.39Å; N465-I468 PolarHBondContact O-N 2.89Å; N465-N469 VanDerWaalsContact O-CB 3.23Å; N465-N469 WeakPolarHBondContact O-CB 3.43Å; N465-N469 PolarHBondContact O-N 3.25Å; N465-N469 PolarHBondContact O-ND2 2.92Å; N465-F505 WeakPolarHBondContact CB-O 3.31Å; N465-F505 PolarHBondContact ND2-O 3.19Å
466	L	98	Very high	96.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-58.8	-42.2	176.1	177.2	62.5	0	0	0	111.7	I249 L251 V449 L451 L462 A463 S464 N469 G470 L504	I249-L466 HydrophobicContact CB-CG 4.34Å; I249-L466 HydrophobicContact CD1-CB 4.25Å; I249-L466 HydrophobicContact CD1-CD2 3.55Å; I249-L466 HydrophobicContact CD1-CG 3.6Å; I249-L466 HydrophobicContact CG2-CG 4.28Å; L251-L466 HydrophobicContact CD2-CD1 4.43Å; V449-L466 HydrophobicContact CB-CD1 4.22Å; V449-L466 HydrophobicContact CB-CD2 4.13Å; V449-L466 HydrophobicContact CG1-CD1 4.45Å; V449-L466 HydrophobicContact CG1-CD2 3.86Å; V449-L466 HydrophobicContact CG2-CD1 4.35Å; L451-L466 HydrophobicContact CD1-CD2 3.51Å; L451-L466 HydrophobicContact CD2-CD2 4.01Å; L451-L466 HydrophobicContact CG-CD2 3.74Å; L462-L466 PolarHBondContact O-N 3.1Å; A463-L466 PolarHBondContact O-N 3.17Å; S464-L466 PolarHBondContact O-N 3.41Å; L466-N469 PolarHBondContact O-N 2.8Å; L466-G470 PolarHBondContact O-N 2.89Å; L466-L504 VanDerWaalsContact CA-O 3.29Å; L466-L504 WeakPolarHBondContact CA-O 3.37Å; L466-L504 HydrophobicContact CD1-CB 3.63Å; L466-L504 HydrophobicContact CD1-CD1 3.97Å; L466-L504 HydrophobicContact CD1-CG 4.34Å; L466-L504 PolarHBondContact N-O 3.06Å
467	K	98	Very high	97	Very high	154 Å²	154	45.5 Å²	45.5	67%	0.67	23%	0.233	S	C	*	.	H	α-helix	trans	-63	-43.1	177.1	-173.5	-179.3	179	-176.1	0	112.2	I249 A463 S464 N465 G470	I249-K467 HydrophobicContact CD1-CB 4.49Å; A463-K467 PolarHBondContact O-N 2.97Å; A463-K467 VanDerWaalsContact O-N 3.09Å; S464-K467 WeakPolarHBondContact O-CB 3.38Å; S464-K467 PolarHBondContact O-N 2.68Å; S464-K467 VanDerWaalsContact O-N 3.1Å; N465-K467 VanDerWaalsContact C-N 3.3Å; N465-K467 PolarHBondContact O-N 3.39Å; K467-G470 PolarHBondContact O-N 3.5Å
468	I	98.1	Very high	97.2	Very high	56 Å²	56	37.7 Å²	37.7	29%	0.287	20%	0.197	S	C	.	.	H	α-helix	trans	-62	-47.3	174.1	-67.7	165.2	0	0	0	109.8	S464 N465 G470 K471 E507	S464-I468 WeakPolarHBondContact O-CG1 3.25Å; S464-I468 PolarHBondContact O-N 3.23Å; N465-I468 PolarHBondContact O-N 2.89Å; I468-G470 PolarHBondContact O-N 2.82Å; I468-K471 PolarHBondContact O-N 3.37Å; I468-E507 HydrophobicContact CD1-CG 4.47Å; I468-E507 HydrophobicContact CG2-CG 4.15Å
469	N	98.1	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-25.2	-178.9	-69.3	-18.7	0	0	0	113.1	N465 L466 K471 R472 L504 T506 I508	N465-N469 VanDerWaalsContact O-CB 3.23Å; N465-N469 WeakPolarHBondContact O-CB 3.43Å; N465-N469 PolarHBondContact O-N 3.25Å; N465-N469 PolarHBondContact O-ND2 2.92Å; L466-N469 PolarHBondContact O-N 2.8Å; N469-K471 PolarHBondContact O-N 3.27Å; N469-R472 PolarHBondContact O-N 2.83Å; N469-L504 HydrophobicContact CB-CD2 4.2Å; N469-L504 PolarHBondContact ND2-O 3.25Å; N469-T506 PolarHBondContact ND2-O 3.05Å; N469-I508 HydrophobicContact CB-CD1 4.19Å; N469-I508 VanDerWaalsContact OD1-CB 3.27Å; N469-I508 WeakPolarHBondContact OD1-CB 3.36Å; N469-I508 WeakPolarHBondContact OD1-CG1 3.34Å; N469-I508 PolarHBondContact OD1-N 2.84Å
470	G	97.9	Very high	97.5	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-19	169.4	0	0	0	0	0	114.1	V250 E252 L466 K467 I468	V250-G470 WeakPolarHBondContact O-CA 3.48Å; E252-G470 PolarHBondContact N-O 3.27Å; L466-G470 PolarHBondContact O-N 2.89Å; K467-G470 PolarHBondContact O-N 3.5Å; I468-G470 PolarHBondContact O-N 2.82Å
471	K	97.1	Very high	97.6	Very high	108 Å²	108	29.1 Å²	29.1	47%	0.47	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	7.8	176.2	-53	-59.7	-167.6	171.3	0	113.6	E252 K253 I468 N469	E252-K471 HydrophobicContact CG-CD 4.47Å; E252-K471 IonicContact OE1-NZ 2.71Å; E252-K471 PolarHBondContact OE1-NZ 2.8Å; E252-K471 VanDerWaalsContact OE2-CD 3.28Å; E252-K471 WeakPolarHBondContact OE2-CD 3.48Å; E252-K471 IonicContact OE2-NZ 3.79Å; E252-K471 PolarHBondContact OE2-NZ 2.89Å; K253-K471 WeakPolarHBondContact CD-O 3.31Å; K253-K471 WeakPolarHBondContact CE-O 3.28Å; I468-K471 PolarHBondContact O-N 3.37Å; N469-K471 PolarHBondContact O-N 3.27Å
472	R	96.2	Very high	97.7	Very high	65 Å²	65	24.9 Å²	24.9	25%	0.245	12%	0.124	C	C	.	.	S	Bend	trans	-107	154.1	-178.3	-58.2	-60.7	-173.7	-158.7	-2.4	111.2	K253 N469 T474 I508 A510	K253-R472 WeakPolarHBondContact CB-O 3.42Å; N469-R472 PolarHBondContact O-N 2.83Å; R472-T474 PolarHBondContact O-N 3.2Å; R472-I508 HydrophobicContact CB-CB 4.15Å; R472-I508 HydrophobicContact CB-CG2 4.06Å; R472-I508 HydrophobicContact CG-CB 4.23Å; R472-I508 HydrophobicContact CG-CG2 4.46Å; R472-A510 VanDerWaalsContact CZ-CA 3.42Å; R472-A510 VanDerWaalsContact NH1-CA 3.34Å
473	L	96.3	Very high	97.7	Very high	5 Å²	5	25 Å²	25	3%	0.026	13%	0.125	C	C	.	.			trans	-60.9	118.1	172.3	179.9	65.1	0	0	0	108.9	C92 N255 R512 A517 I519 P525	C92-L473 HydrophobicContact CB-CD2 4.38Å; N255-L473 HydrophobicContact CB-CD1 3.86Å; L473-R512 PolarHBondContact O-NH1 2.89Å; L473-A517 HydrophobicContact CD2-CB 4.38Å; L473-I519 HydrophobicContact CD1-CD1 4.01Å; L473-I519 HydrophobicContact CD2-CD1 4.03Å; L473-I519 HydrophobicContact CG-CD1 4.23Å; L473-P525 HydrophobicContact CD1-CG 4.04Å
474	T	98.1	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-131.2	155.5	-179	46.2	0	0	0	0	110.4	K253 Y254 N255 R472 D478 L504 I508	K253-T474 PolarHBondContact O-N 2.95Å; Y254-T474 CarbonylContact C-O 3.6Å; Y254-T474 WeakPolarHBondContact CA-O 3.29Å; Y254-T474 WeakPolarHBondContact CA-OG1 3.46Å; N255-T474 PolarHBondContact N-O 2.95Å; R472-T474 PolarHBondContact O-N 3.2Å; T474-D478 WeakPolarHBondContact CA-OD2 3.4Å; T474-L504 HydrophobicContact CG2-CD2 3.56Å; T474-I508 HydrophobicContact CG2-CD1 3.48Å; T474-I508 VanDerWaalsContact CG2-CD1 3.48Å
475	T	98.3	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.			trans	-137.7	169.9	-176.6	68.6	0	0	0	0	110.8	Y254 L257 F477 D478 L479 A517 I519	Y254-T475 VanDerWaalsContact CE2-C 3.4Å; Y254-T475 WeakPolarHBondContact CE2-O 3.41Å; L257-T475 HydrophobicContact CD2-CG2 4.03Å; T475-F477 PolarHBondContact O-N 2.92Å; T475-F477 VanDerWaalsContact O-N 3.14Å; T475-F477 PolarHBondContact OG1-N 3.48Å; T475-D478 PolarHBondContact N-OD2 3.41Å; T475-D478 WeakPolarHBondContact O-CB 3.05Å; T475-D478 PolarHBondContact O-N 3.45Å; T475-D478 PolarHBondContact OG1-OD2 2.89Å; T475-L479 PolarHBondContact O-N 3.16Å; T475-A517 HydrophobicContact CG2-CB 3.93Å; T475-I519 HydrophobicContact CG2-CD1 3.64Å; T475-I519 HydrophobicContact CG2-CG1 3.85Å
476	P	98.7	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-47	-34.7	167.6	-32.1	33.8	0	0	0	115.1	Y254 N255 L257 A264 P267 L268 D478 L479 H480	Y254-P476 VanDerWaalsContact OH-CA 3.29Å; Y254-P476 WeakPolarHBondContact OH-CA 3.34Å; Y254-P476 VanDerWaalsContact OH-CD 3.23Å; Y254-P476 WeakPolarHBondContact OH-CD 3.2Å; Y254-P476 WeakPolarHBondContact OH-CG 3.44Å; N255-P476 WeakPolarHBondContact O-CD 3.31Å; L257-P476 HydrophobicContact CD1-CB 3.82Å; L257-P476 HydrophobicContact CD1-CG 3.74Å; L257-P476 HydrophobicContact CG-CG 4.12Å; A264-P476 WeakPolarHBondContact O-CB 3.4Å; P267-P476 HydrophobicContact CB-CB 3.75Å; L268-P476 HydrophobicContact CB-CB 4.39Å; P476-D478 VanDerWaalsContact C-N 3.3Å; P476-D478 PolarHBondContact O-N 3.48Å; P476-L479 PolarHBondContact O-N 2.95Å; P476-H480 PolarHBondContact O-N 3.03Å
477	F	98.7	Very high	96.9	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-35.9	177	-65	-56.3	0	0	0	112.7	L257 P267 G271 T273 T475 H480 A481 R500 A501 D518	L257-F477 HydrophobicContact CD1-CD2 3.63Å; L257-F477 HydrophobicContact CD1-CE1 4.45Å; L257-F477 HydrophobicContact CD1-CE2 3.42Å; L257-F477 VanDerWaalsContact CD1-CE2 3.42Å; L257-F477 HydrophobicContact CD1-CG 4.24Å; L257-F477 HydrophobicContact CD1-CZ 3.86Å; L257-F477 HydrophobicContact CD2-CD2 4.05Å; L257-F477 HydrophobicContact CD2-CE2 3.84Å; L257-F477 HydrophobicContact CG-CE2 4.27Å; P267-F477 HydrophobicContact CB-CD1 3.92Å; P267-F477 HydrophobicContact CB-CE1 3.67Å; P267-F477 HydrophobicContact CB-CZ 4.18Å; P267-F477 HydrophobicContact CG-CE1 4.28Å; P267-F477 HydrophobicContact CG-CZ 4.43Å; G271-F477 WeakPolarHBondContact O-CD1 3.24Å; G271-F477 WeakPolarHBondContact O-CE1 3.5Å; T273-F477 HydrophobicContact CG2-CZ 3.77Å; T475-F477 PolarHBondContact O-N 2.92Å; T475-F477 VanDerWaalsContact O-N 3.14Å; T475-F477 PolarHBondContact OG1-N 3.48Å; F477-H480 PolarHBondContact O-N 2.94Å; F477-A481 WeakPolarHBondContact O-CB 3.45Å; F477-A481 PolarHBondContact O-N 3.45Å; F477-R500 HydrophobicContact CD2-CG 4.45Å; F477-A501 HydrophobicContact CB-CB 3.85Å; F477-D518 HydrophobicContact CE2-CB 4.39Å
478	D	98.7	Very high	96.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-71	-38.6	177.9	-57.8	-47.2	0	0	0	111.6	T474 T475 P476 A481 T482 I502 L504 R512	T474-D478 WeakPolarHBondContact CA-OD2 3.4Å; T475-D478 PolarHBondContact N-OD2 3.41Å; T475-D478 WeakPolarHBondContact O-CB 3.05Å; T475-D478 PolarHBondContact O-N 3.45Å; T475-D478 PolarHBondContact OG1-OD2 2.89Å; P476-D478 VanDerWaalsContact C-N 3.3Å; P476-D478 PolarHBondContact O-N 3.48Å; D478-A481 PolarHBondContact O-N 2.96Å; D478-T482 WeakPolarHBondContact O-CB 3.43Å; D478-T482 PolarHBondContact O-N 3.45Å; D478-T482 PolarHBondContact O-OG1 3.03Å; D478-I502 VanDerWaalsContact CB-O 3.29Å; D478-I502 WeakPolarHBondContact CB-O 3.17Å; D478-I502 PolarHBondContact OD1-N 2.76Å; D478-L504 HydrophobicContact CB-CD2 4.4Å; D478-R512 VanDerWaalsContact CG-NH2 3.33Å; D478-R512 IonicContact OD1-CZ 2.86Å; D478-R512 IonicContact OD1-NH1 3.6Å; D478-R512 PolarHBondContact OD1-NH1 2.89Å; D478-R512 VanDerWaalsContact OD1-NH1 3.15Å; D478-R512 IonicContact OD1-NH2 2.81Å; D478-R512 PolarHBondContact OD1-NH2 3.32Å; D478-R512 IonicContact OD2-CZ 3.96Å; D478-R512 IonicContact OD2-NH1 3.67Å; D478-R512 PolarHBondContact OD2-NH1 3.06Å; D478-R512 IonicContact OD2-NH2 3.08Å; D478-R512 PolarHBondContact OD2-NH2 3.24Å; D478-R512 VanDerWaalsContact OD2-NH2 3.11Å
479	L	98.5	Very high	95.9	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-45.6	171.7	-75.2	176.8	0	0	0	110.5	L251 Y254 L268 V420 M422 V447 V449 T475 P476 A481 T482 L483 L504	L251-L479 HydrophobicContact CD1-CD2 4.32Å; Y254-L479 HydrophobicContact CE2-CD1 3.53Å; Y254-L479 HydrophobicContact CE2-CG 3.91Å; Y254-L479 WeakPolarHBondContact OH-CD1 3.25Å; L268-L479 HydrophobicContact CD1-CB 3.51Å; L268-L479 HydrophobicContact CD1-CD1 3.97Å; L268-L479 HydrophobicContact CD1-CG 4.4Å; V420-L479 HydrophobicContact CG1-CD2 4.45Å; M422-L479 HydrophobicContact CE-CD1 4.23Å; M422-L479 HydrophobicContact SD-CD1 4.13Å; V447-L479 HydrophobicContact CG1-CD1 4.12Å; V447-L479 HydrophobicContact CG1-CD2 4.5Å; V449-L479 HydrophobicContact CG2-CD2 4.42Å; T475-L479 PolarHBondContact O-N 3.16Å; P476-L479 PolarHBondContact O-N 2.95Å; L479-A481 PolarHBondContact O-N 3.15Å; L479-T482 CarbonylContact O-C 3.46Å; L479-T482 WeakPolarHBondContact O-CA 3.37Å; L479-T482 VanDerWaalsContact O-CB 3.26Å; L479-T482 WeakPolarHBondContact O-CB 3.25Å; L479-T482 PolarHBondContact O-N 2.96Å; L479-L483 WeakPolarHBondContact O-CG 3.2Å; L479-L483 PolarHBondContact O-N 2.82Å; L479-L504 HydrophobicContact CD2-CD1 3.68Å
480	H	98.6	Very high	95.2	Very high	9 Å²	9	27.9 Å²	27.9	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-56.3	-50.9	175.2	-172.8	77	0	0	0	112	P267 L268 G271 P476 F477 T482 L483 E484	P267-H480 WeakPolarHBondContact O-CB 3.45Å; L268-H480 WeakPolarHBondContact O-CB 3.36Å; L268-H480 PolarHBondContact O-ND1 2.76Å; G271-H480 WeakPolarHBondContact CA-CD2 3.46Å; G271-H480 PolarHBondContact N-CD2 2.78Å; G271-H480 PolarHBondContact N-CE1 2.9Å; G271-H480 VanDerWaalsContact N-CE1 3.32Å; G271-H480 PolarHBondContact N-ND1 3.38Å; G271-H480 PolarHBondContact N-NE2 2.84Å; P476-H480 PolarHBondContact O-N 3.03Å; F477-H480 PolarHBondContact O-N 2.94Å; H480-T482 PolarHBondContact O-N 2.87Å; H480-L483 WeakPolarHBondContact O-CB 3.25Å; H480-L483 PolarHBondContact O-N 2.74Å; H480-E484 IonicContact CD2-OE2 3.87Å; H480-E484 IonicContact NE2-OE1 3.38Å; H480-E484 IonicContact NE2-OE2 3.65Å; H480-E484 PolarHBondContact O-N 3.1Å
481	A	97.7	Very high	94.6	Very high	15 Å²	15	32.3 Å²	32.3	12%	0.124	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-28.7	176	0	0	0	0	0	112.7	F477 D478 L479 S485 A501	F477-A481 WeakPolarHBondContact O-CB 3.45Å; F477-A481 PolarHBondContact O-N 3.45Å; D478-A481 PolarHBondContact O-N 2.96Å; L479-A481 PolarHBondContact O-N 3.15Å; A481-S485 VanDerWaalsContact O-CB 3.27Å; A481-S485 WeakPolarHBondContact O-CB 3.45Å; A481-S485 PolarHBondContact O-N 2.69Å; A481-S485 PolarHBondContact O-OG 2.95Å; A481-A501 HydrophobicContact CB-CB 4.05Å
482	T	97.6	Very high	93.8	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-70.6	-43	173.3	-52.5	0	0	0	0	111.5	D478 L479 H480 S485 L504 F505	D478-T482 WeakPolarHBondContact O-CB 3.43Å; D478-T482 PolarHBondContact O-N 3.45Å; D478-T482 PolarHBondContact O-OG1 3.03Å; L479-T482 CarbonylContact O-C 3.46Å; L479-T482 WeakPolarHBondContact O-CA 3.37Å; L479-T482 VanDerWaalsContact O-CB 3.26Å; L479-T482 WeakPolarHBondContact O-CB 3.25Å; L479-T482 PolarHBondContact O-N 2.96Å; H480-T482 PolarHBondContact O-N 2.87Å; T482-S485 WeakPolarHBondContact CA-OG 3.27Å; T482-S485 PolarHBondContact O-N 2.85Å; T482-S485 PolarHBondContact O-OG 2.81Å; T482-L504 HydrophobicContact CG2-CB 4.18Å; T482-L504 WeakPolarHBondContact OG1-CB 3.48Å; T482-L504 VanDerWaalsContact OG1-CG 3.31Å; T482-L504 WeakPolarHBondContact OG1-CG 3.43Å; T482-L504 PolarHBondContact OG1-N 3.49Å; T482-F505 HydrophobicContact CG2-CD2 4.1Å; T482-F505 HydrophobicContact CG2-CE2 3.73Å; T482-F505 HydrophobicContact CG2-CZ 4.08Å
483	L	97.2	Very high	93.5	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-45.8	174.6	-59.2	174.8	0	0	0	111	L218 I220 L268 I296 L479 H480 S485 V486	L218-L483 HydrophobicContact CD1-CD2 4.11Å; L218-L483 HydrophobicContact CD2-CD2 3.84Å; L218-L483 HydrophobicContact CG-CD2 4.42Å; I220-L483 HydrophobicContact CD1-CD1 3.89Å; I220-L483 HydrophobicContact CD1-CD2 4.37Å; L268-L483 HydrophobicContact CD1-CD1 4.27Å; I296-L483 HydrophobicContact CG1-CB 4.22Å; I296-L483 HydrophobicContact CG2-CD1 4.36Å; L479-L483 WeakPolarHBondContact O-CG 3.2Å; L479-L483 PolarHBondContact O-N 2.82Å; H480-L483 WeakPolarHBondContact O-CB 3.25Å; H480-L483 PolarHBondContact O-N 2.74Å; L483-S485 VanDerWaalsContact C-N 3.25Å; L483-S485 PolarHBondContact O-N 3.23Å; L483-V486 WeakPolarHBondContact O-CB 3.37Å; L483-V486 PolarHBondContact O-N 2.7Å; L483-V486 VanDerWaalsContact O-N 3.11Å
484	E	95.5	Very high	93.3	Very high	96 Å²	96	40.4 Å²	40.4	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-60.9	-35.4	175	-71.1	-170.6	122.7	0	0	112.2	I296 H480 V486 L487 K488	I296-E484 HydrophobicContact CD1-CG 3.88Å; H480-E484 IonicContact CD2-OE2 3.87Å; H480-E484 IonicContact NE2-OE1 3.38Å; H480-E484 IonicContact NE2-OE2 3.65Å; H480-E484 PolarHBondContact O-N 3.1Å; E484-V486 PolarHBondContact O-N 3.38Å; E484-V486 VanDerWaalsContact O-N 3.15Å; E484-L487 WeakPolarHBondContact O-CA 3.41Å; E484-L487 VanDerWaalsContact O-CB 3.22Å; E484-L487 WeakPolarHBondContact O-CB 3.44Å; E484-L487 WeakPolarHBondContact O-CG 3.39Å; E484-L487 PolarHBondContact O-N 2.84Å; E484-K488 PolarHBondContact O-N 2.79Å
485	S	93.9	Very high	93.1	Very high	9 Å²	9	41 Å²	41	6%	0.063	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-17.2	178.2	73.7	0	0	0	0	113.4	A481 T482 L483 L487 K488 F489 S503 F505	A481-S485 VanDerWaalsContact O-CB 3.27Å; A481-S485 WeakPolarHBondContact O-CB 3.45Å; A481-S485 PolarHBondContact O-N 2.69Å; A481-S485 PolarHBondContact O-OG 2.95Å; T482-S485 WeakPolarHBondContact CA-OG 3.27Å; T482-S485 PolarHBondContact O-N 2.85Å; T482-S485 PolarHBondContact O-OG 2.81Å; L483-S485 VanDerWaalsContact C-N 3.25Å; L483-S485 PolarHBondContact O-N 3.23Å; S485-L487 VanDerWaalsContact C-N 3.3Å; S485-K488 CarbonylContact O-C 3.57Å; S485-K488 VanDerWaalsContact O-O 3.1Å; S485-F489 WeakPolarHBondContact O-CA 3.36Å; S485-F489 PolarHBondContact O-N 2.79Å; S485-F489 VanDerWaalsContact O-N 3.14Å; S485-S503 PolarHBondContact OG-OG 3.36Å; S485-S503 VanDerWaalsContact OG-OG 3.11Å; S485-F505 WeakPolarHBondContact OG-CD2 3.18Å
486	V	91.3	Very high	92.9	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-29.4	169.8	173.9	0	0	0	0	111.5	A213 L214 V216 L218 I418 L483 E484	A213-V486 WeakPolarHBondContact CA-O 3.3Å; L214-V486 HydrophobicContact CB-CG1 4.22Å; L214-V486 PolarHBondContact N-O 3.47Å; L214-V486 WeakPolarHBondContact O-CG1 3.23Å; V216-V486 HydrophobicContact CG2-CG1 3.62Å; V216-V486 HydrophobicContact CG2-CG2 4.15Å; L218-V486 HydrophobicContact CD2-CG2 4.11Å; I418-V486 HydrophobicContact CD1-CG2 3.87Å; L483-V486 WeakPolarHBondContact O-CB 3.37Å; L483-V486 PolarHBondContact O-N 2.7Å; L483-V486 VanDerWaalsContact O-N 3.11Å; E484-V486 PolarHBondContact O-N 3.38Å; E484-V486 VanDerWaalsContact O-N 3.15Å
487	L	90.2	Very high	92.6	Very high	37 Å²	37	46.8 Å²	46.8	19%	0.194	24%	0.24	C	C	.	.	H	α-helix	trans	-72.1	-35.6	176.8	-48.7	-173.1	0	0	0	112	A213 I296 E299 L300 L303 E484 S485	A213-L487 WeakPolarHBondContact CA-O 3.24Å; A213-L487 WeakPolarHBondContact CB-O 3.21Å; I296-L487 HydrophobicContact CD1-CD1 4.08Å; E299-L487 HydrophobicContact CB-CD1 4.05Å; L300-L487 HydrophobicContact CD2-CD2 3.42Å; L300-L487 VanDerWaalsContact CD2-CD2 3.42Å; L300-L487 HydrophobicContact CG-CD2 4.19Å; L303-L487 HydrophobicContact CD1-CD2 3.53Å; E484-L487 WeakPolarHBondContact O-CA 3.41Å; E484-L487 VanDerWaalsContact O-CB 3.22Å; E484-L487 WeakPolarHBondContact O-CB 3.44Å; E484-L487 WeakPolarHBondContact O-CG 3.39Å; E484-L487 PolarHBondContact O-N 2.84Å; S485-L487 VanDerWaalsContact C-N 3.3Å
488	K	88.3	Confident	92.3	Very high	157 Å²	157	51.4 Å²	51.4	68%	0.683	27%	0.272	S	S	*	.	S	Bend	trans	-138	91.1	176.1	-173.9	177.2	-178.5	176.2	0	109.5	E484 S485 P490	E484-K488 PolarHBondContact O-N 2.79Å; S485-K488 CarbonylContact O-C 3.57Å; S485-K488 VanDerWaalsContact O-O 3.1Å; K488-P490 WeakPolarHBondContact O-CD 3.44Å
489	F	87.9	Confident	92.1	Very high	35 Å²	35	56.1 Å²	56.1	15%	0.154	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.1	118.5	-171.6	-157.3	-117.4	0	0	0	111.3	T212 L214 F455 Y459 L462 S485 F505	T212-F489 WeakPolarHBondContact O-CB 3.16Å; T212-F489 PolarHBondContact O-N 2.84Å; L214-F489 HydrophobicContact CB-CB 4.31Å; L214-F489 HydrophobicContact CB-CD2 3.85Å; L214-F489 HydrophobicContact CB-CE2 4.37Å; L214-F489 HydrophobicContact CB-CG 4.1Å; L214-F489 HydrophobicContact CD1-CZ 4.47Å; L214-F489 HydrophobicContact CD2-CD2 4.01Å; L214-F489 HydrophobicContact CD2-CE2 3.67Å; L214-F489 HydrophobicContact CD2-CZ 4.13Å; L214-F489 HydrophobicContact CG-CD2 4.38Å; L214-F489 HydrophobicContact CG-CE2 4.43Å; F455-F489 AromaticContact CE2-CE2 3.99Å; F455-F489 HydrophobicContact CE2-CE2 3.99Å; F455-F489 AromaticContact CE2-CZ 3.69Å; F455-F489 HydrophobicContact CE2-CZ 3.69Å; F455-F489 HydrophobicContact CZ-CE2 4.06Å; F455-F489 AromaticContact CZ-CZ 3.63Å; F455-F489 HydrophobicContact CZ-CZ 3.63Å; Y459-F489 AromaticContact CD1-CE1 3.74Å; Y459-F489 HydrophobicContact CD1-CE1 3.74Å; Y459-F489 HydrophobicContact CD1-CZ 4.49Å; Y459-F489 AromaticContact CD2-CE1 3.79Å; Y459-F489 HydrophobicContact CD2-CE1 3.79Å; Y459-F489 AromaticContact CD2-CZ 3.88Å; Y459-F489 HydrophobicContact CD2-CZ 3.88Å; Y459-F489 HydrophobicContact CE1-CD1 4.29Å; Y459-F489 AromaticContact CE1-CE1 3.67Å; Y459-F489 HydrophobicContact CE1-CE1 3.67Å; Y459-F489 AromaticContact CE2-CE1 3.69Å; Y459-F489 HydrophobicContact CE2-CE1 3.69Å; Y459-F489 HydrophobicContact CE2-CZ 4.04Å; Y459-F489 AromaticContact CG-CE1 3.8Å; Y459-F489 HydrophobicContact CG-CE1 3.8Å; Y459-F489 HydrophobicContact CG-CZ 4.11Å; Y459-F489 AromaticContact CZ-CE1 3.65Å; L462-F489 HydrophobicContact CD2-CD1 4.35Å; L462-F489 HydrophobicContact CD2-CE1 3.41Å; L462-F489 VanDerWaalsContact CD2-CE1 3.41Å; L462-F489 HydrophobicContact CD2-CE2 3.89Å; L462-F489 HydrophobicContact CD2-CZ 3.15Å; S485-F489 WeakPolarHBondContact O-CA 3.36Å; S485-F489 PolarHBondContact O-N 2.79Å; S485-F489 VanDerWaalsContact O-N 3.14Å; F489-F505 HydrophobicContact CE2-CD2 4.04Å; F489-F505 HydrophobicContact CE2-CE2 4.11Å
490	P	82.1	Confident	92	Very high	23 Å²	23	58.8 Å²	58.8	15%	0.149	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-82.6	152.4	-170.8	32.6	-35.3	0	0	0	111.3	K488	K488-P490 WeakPolarHBondContact O-CD 3.44Å
491	P	85.1	Confident	91.9	Very high	94 Å²	94	59.8 Å²	59.8	61%	0.61	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-65.2	155.4	162.2	30.5	-34.6	0	0	0	110.3	K493	P491-K493 PolarHBondContact O-N 3.19Å
492	P	81.4	Confident	91.9	Very high	69 Å²	69	59.3 Å²	59.3	45%	0.448	31%	0.309	S	S	.	.	S	Bend	trans	-56	128.5	171.6	-8.5	15.2	0	0	0	110.2	D461 L462	D461-P492 HydrophobicContact CB-CB 3.92Å; D461-P492 HydrophobicContact CB-CG 3.9Å; L462-P492 HydrophobicContact CD1-CB 3.73Å; L462-P492 HydrophobicContact CD1-CG 3.43Å; L462-P492 VanDerWaalsContact CD1-CG 3.43Å
493	K	89.9	Confident	91.9	Very high	114 Å²	114	59.4 Å²	59.4	50%	0.496	31%	0.311	S	S	.	.			trans	-152.5	167.1	176.3	66.7	-176.4	-178.7	176.8	0	111.3	P491 T506 E507	P491-K493 PolarHBondContact O-N 3.19Å; K493-T506 HydrophobicContact CG-CG2 3.9Å; K493-T506 WeakPolarHBondContact O-CG2 3.49Å; K493-E507 PolarHBondContact O-N 3.01Å; K493-E507 VanDerWaalsContact O-N 3.14Å
494	K	91.7	Very high	91.9	Very high	166 Å²	166	59 Å²	59	72%	0.722	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-82.5	142.1	167.8	-68.4	-172.4	175.8	-177.5	0	110.3
495	G	93.8	Very high	92	Very high	13 Å²	13	54.5 Å²	54.5	13%	0.134	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-71.2	150.2	177.9	0	0	0	0	0	112.3	T506 E507 P509	G495-T506 VanDerWaalsContact CA-CG2 3.45Å; G495-T506 VanDerWaalsContact N-CG2 3.32Å; G495-E507 PolarHBondContact N-O 3.29Å; G495-P509 VanDerWaalsContact O-CG 3.24Å; G495-P509 WeakPolarHBondContact O-CG 3.27Å
496	N	94.4	Very high	92.1	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-101.3	119.4	176.3	-178.7	-2.8	0	0	0	109.8	S498 Q499	N496-S498 VanDerWaalsContact CG-OG 3.25Å; N496-S498 PolarHBondContact ND2-OG 3.43Å; N496-S498 PolarHBondContact O-N 3.35Å; N496-S498 VanDerWaalsContact O-N 3.15Å; N496-S498 WeakPolarHBondContact OD1-CB 3.42Å; N496-S498 PolarHBondContact OD1-N 2.89Å; N496-S498 PolarHBondContact OD1-OG 3Å; N496-Q499 HydrophobicContact CB-CG 4.34Å; N496-Q499 WeakPolarHBondContact O-CB 3.27Å; N496-Q499 PolarHBondContact O-N 3.36Å
497	L	92.9	Very high	92.4	Very high	37 Å²	37	57 Å²	57	19%	0.194	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.4	179.6	-68	-179.6	0	0	0	114.3	Q499 P509 R512 H516	L497-Q499 PolarHBondContact O-N 3.04Å; L497-P509 HydrophobicContact CD1-CB 4.21Å; L497-P509 HydrophobicContact CD2-CB 3.94Å; L497-P509 HydrophobicContact CD2-CG 3.9Å; L497-P509 HydrophobicContact CG-CB 4.04Å; L497-P509 HydrophobicContact CG-CG 3.93Å; L497-R512 HydrophobicContact CD2-CB 3.81Å; L497-R512 HydrophobicContact CD2-CG 3.88Å; L497-H516 HydrophobicContact CB-CB 4.5Å; L497-H516 HydrophobicContact CD2-CB 4.11Å
498	S	92.6	Very high	92.7	Very high	97 Å²	97	55.2 Å²	55.2	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.2	168.9	81.8	0	0	0	0	112.8	N496	N496-S498 VanDerWaalsContact CG-OG 3.25Å; N496-S498 PolarHBondContact ND2-OG 3.43Å; N496-S498 PolarHBondContact O-N 3.35Å; N496-S498 VanDerWaalsContact O-N 3.15Å; N496-S498 WeakPolarHBondContact OD1-CB 3.42Å; N496-S498 PolarHBondContact OD1-N 2.89Å; N496-S498 PolarHBondContact OD1-OG 3Å
499	Q	94.6	Very high	93.1	Very high	101 Å²	101	48.9 Å²	48.9	47%	0.472	26%	0.264	S	S	.	.			trans	-102.7	125.1	178.1	-58.8	-176.8	-54.8	0	0	109.6	N496 L497 A501	N496-Q499 HydrophobicContact CB-CG 4.34Å; N496-Q499 WeakPolarHBondContact O-CB 3.27Å; N496-Q499 PolarHBondContact O-N 3.36Å; L497-Q499 PolarHBondContact O-N 3.04Å; Q499-A501 PolarHBondContact O-N 2.82Å
500	R	94.7	Very high	93.3	Very high	60 Å²	60	49 Å²	49	23%	0.226	27%	0.271	C	S	.	.	S	Bend	trans	-63.7	-27.8	176.5	73.2	173.8	-178.3	-159.3	-2.4	113.5	G271 E276 F477 R512 H516 D518	G271-R500 PolarHBondContact O-NH2 2.94Å; E276-R500 VanDerWaalsContact CD-NH1 3.32Å; E276-R500 IonicContact OE1-CZ 3.5Å; E276-R500 VanDerWaalsContact OE1-CZ 3.31Å; E276-R500 IonicContact OE1-NH1 3.13Å; E276-R500 PolarHBondContact OE1-NH1 2.85Å; E276-R500 IonicContact OE1-NH2 3.73Å; E276-R500 PolarHBondContact OE1-NH2 3.44Å; E276-R500 IonicContact OE2-CZ 2.8Å; E276-R500 IonicContact OE2-NH1 2.92Å; E276-R500 PolarHBondContact OE2-NH1 2.82Å; E276-R500 IonicContact OE2-NH2 3.66Å; E276-R500 PolarHBondContact OE2-NH2 3.48Å; F477-R500 HydrophobicContact CD2-CG 4.45Å; R500-R512 PolarHBondContact O-NH2 3.05Å; R500-H516 WeakPolarHBondContact CA-O 3.43Å; R500-D518 HydrophobicContact CB-CB 3.83Å; R500-D518 IonicContact NH1-OD2 2.79Å; R500-D518 PolarHBondContact NH1-OD2 3.4Å
501	A	97.1	Very high	93.8	Very high	30 Å²	30	51.1 Å²	51.1	25%	0.248	28%	0.281	C	S	.	.			trans	-114.8	125.7	-176.4	0	0	0	0	0	109.7	F477 A481 Q499	F477-A501 HydrophobicContact CB-CB 3.85Å; A481-A501 HydrophobicContact CB-CB 4.05Å; Q499-A501 PolarHBondContact O-N 2.82Å
502	I	97.3	Very high	94.1	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.253	C	S	.	.			trans	-130.4	117.7	176.2	-58.5	172.2	0	0	0	107.3	D478 L504 T506 I508	D478-I502 VanDerWaalsContact CB-O 3.29Å; D478-I502 WeakPolarHBondContact CB-O 3.17Å; D478-I502 PolarHBondContact OD1-N 2.76Å; I502-L504 PolarHBondContact O-N 3.2Å; I502-T506 HydrophobicContact CG2-CG2 3.7Å; I502-I508 HydrophobicContact CB-CG1 3.98Å; I502-I508 HydrophobicContact CD1-CG2 4.5Å; I502-I508 HydrophobicContact CG2-CG1 3.67Å
503	S	97.4	Very high	94.5	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.084	24%	0.236	C	C	.	.			trans	-52.6	139.7	175.2	167.9	0	0	0	0	110.6	S485 F505 T506	S485-S503 PolarHBondContact OG-OG 3.36Å; S485-S503 VanDerWaalsContact OG-OG 3.11Å; S503-F505 PolarHBondContact O-N 3.02Å; S503-F505 VanDerWaalsContact O-N 3.07Å; S503-F505 PolarHBondContact OG-N 3.46Å; S503-T506 WeakPolarHBondContact O-CA 3.5Å; S503-T506 WeakPolarHBondContact O-CB 3.47Å; S503-T506 PolarHBondContact O-N 3.06Å; S503-T506 VanDerWaalsContact O-O 3.13Å
504	L	97.8	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.6	179.3	-62.1	174.7	0	0	0	113.2	L251 V449 L466 N469 T474 D478 L479 T482 I502 T506 I508	L251-L504 HydrophobicContact CD1-CD1 3.77Å; L251-L504 HydrophobicContact CD1-CD2 4.3Å; L251-L504 HydrophobicContact CD2-CD1 4.32Å; L251-L504 HydrophobicContact CD2-CD2 4.44Å; V449-L504 HydrophobicContact CG2-CD1 3.97Å; L466-L504 VanDerWaalsContact CA-O 3.29Å; L466-L504 WeakPolarHBondContact CA-O 3.37Å; L466-L504 HydrophobicContact CD1-CB 3.63Å; L466-L504 HydrophobicContact CD1-CD1 3.97Å; L466-L504 HydrophobicContact CD1-CG 4.34Å; L466-L504 PolarHBondContact N-O 3.06Å; N469-L504 HydrophobicContact CB-CD2 4.2Å; N469-L504 PolarHBondContact ND2-O 3.25Å; T474-L504 HydrophobicContact CG2-CD2 3.56Å; D478-L504 HydrophobicContact CB-CD2 4.4Å; L479-L504 HydrophobicContact CD2-CD1 3.68Å; T482-L504 HydrophobicContact CG2-CB 4.18Å; T482-L504 WeakPolarHBondContact OG1-CB 3.48Å; T482-L504 VanDerWaalsContact OG1-CG 3.31Å; T482-L504 WeakPolarHBondContact OG1-CG 3.43Å; T482-L504 PolarHBondContact OG1-N 3.49Å; I502-L504 PolarHBondContact O-N 3.2Å; L504-T506 VanDerWaalsContact C-N 3.33Å; L504-I508 HydrophobicContact CD2-CD1 4.16Å
505	F	96.7	Very high	94.2	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8	170.4	-59.6	-45.5	0	0	0	113.8	I418 L451 F455 L462 N465 T482 S485 F489 S503	I418-F505 HydrophobicContact CD1-CE2 4.4Å; I418-F505 HydrophobicContact CD1-CZ 3.94Å; L451-F505 HydrophobicContact CD1-CE1 4.5Å; L451-F505 HydrophobicContact CD2-CE1 3.87Å; L451-F505 HydrophobicContact CD2-CZ 4.09Å; F455-F505 HydrophobicContact CE1-CD1 4.28Å; F455-F505 AromaticContact CE1-CE1 3.92Å; F455-F505 HydrophobicContact CE1-CE1 3.92Å; F455-F505 HydrophobicContact CE2-CE1 4.22Å; F455-F505 HydrophobicContact CE2-CZ 4.11Å; F455-F505 AromaticContact CZ-CD1 3.86Å; F455-F505 HydrophobicContact CZ-CD1 3.86Å; F455-F505 AromaticContact CZ-CE1 3.43Å; F455-F505 HydrophobicContact CZ-CE1 3.43Å; F455-F505 VanDerWaalsContact CZ-CE1 3.43Å; F455-F505 HydrophobicContact CZ-CE2 4.41Å; F455-F505 AromaticContact CZ-CZ 3.74Å; F455-F505 HydrophobicContact CZ-CZ 3.74Å; L462-F505 HydrophobicContact CB-CB 4.17Å; L462-F505 HydrophobicContact CB-CD1 4.24Å; L462-F505 HydrophobicContact CB-CG 4.49Å; L462-F505 HydrophobicContact CD2-CB 4.05Å; L462-F505 HydrophobicContact CD2-CG 4.4Å; L462-F505 HydrophobicContact CG-CB 3.97Å; N465-F505 WeakPolarHBondContact CB-O 3.31Å; N465-F505 PolarHBondContact ND2-O 3.19Å; T482-F505 HydrophobicContact CG2-CD2 4.1Å; T482-F505 HydrophobicContact CG2-CE2 3.73Å; T482-F505 HydrophobicContact CG2-CZ 4.08Å; S485-F505 WeakPolarHBondContact OG-CD2 3.18Å; F489-F505 HydrophobicContact CE2-CD2 4.04Å; F489-F505 HydrophobicContact CE2-CE2 4.11Å; S503-F505 PolarHBondContact O-N 3.02Å; S503-F505 VanDerWaalsContact O-N 3.07Å; S503-F505 PolarHBondContact OG-N 3.46Å
506	T	97.3	Very high	94.1	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.043	21%	0.207	C	C	.	.	S	Bend	trans	-104.9	132.7	174.5	-67.7	0	0	0	0	108.8	N469 K493 G495 I502 S503 L504 I508	N469-T506 PolarHBondContact ND2-O 3.05Å; K493-T506 HydrophobicContact CG-CG2 3.9Å; K493-T506 WeakPolarHBondContact O-CG2 3.49Å; G495-T506 VanDerWaalsContact CA-CG2 3.45Å; G495-T506 VanDerWaalsContact N-CG2 3.32Å; I502-T506 HydrophobicContact CG2-CG2 3.7Å; S503-T506 WeakPolarHBondContact O-CA 3.5Å; S503-T506 WeakPolarHBondContact O-CB 3.47Å; S503-T506 PolarHBondContact O-N 3.06Å; S503-T506 VanDerWaalsContact O-O 3.13Å; L504-T506 VanDerWaalsContact C-N 3.33Å; T506-I508 PolarHBondContact O-N 3.06Å; T506-I508 VanDerWaalsContact O-N 3.07Å
507	E	97.3	Very high	94	Very high	54 Å²	54	34.5 Å²	34.5	25%	0.252	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-63	115.5	-178.8	-167.6	-169.3	158.1	0	0	110.3	I468 K493 G495 P509	I468-E507 HydrophobicContact CD1-CG 4.47Å; I468-E507 HydrophobicContact CG2-CG 4.15Å; K493-E507 PolarHBondContact O-N 3.01Å; K493-E507 VanDerWaalsContact O-N 3.14Å; G495-E507 PolarHBondContact N-O 3.29Å; E507-P509 WeakPolarHBondContact O-CD 3.32Å
508	I	97.2	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.			trans	-74.9	123.7	176.5	-65.6	170.5	0	0	0	108	N469 R472 T474 I502 L504 T506 A510 R512	N469-I508 HydrophobicContact CB-CD1 4.19Å; N469-I508 VanDerWaalsContact OD1-CB 3.27Å; N469-I508 WeakPolarHBondContact OD1-CB 3.36Å; N469-I508 WeakPolarHBondContact OD1-CG1 3.34Å; N469-I508 PolarHBondContact OD1-N 2.84Å; R472-I508 HydrophobicContact CB-CB 4.15Å; R472-I508 HydrophobicContact CB-CG2 4.06Å; R472-I508 HydrophobicContact CG-CB 4.23Å; R472-I508 HydrophobicContact CG-CG2 4.46Å; T474-I508 HydrophobicContact CG2-CD1 3.48Å; T474-I508 VanDerWaalsContact CG2-CD1 3.48Å; I502-I508 HydrophobicContact CB-CG1 3.98Å; I502-I508 HydrophobicContact CD1-CG2 4.5Å; I502-I508 HydrophobicContact CG2-CG1 3.67Å; L504-I508 HydrophobicContact CD2-CD1 4.16Å; T506-I508 PolarHBondContact O-N 3.06Å; T506-I508 VanDerWaalsContact O-N 3.07Å; I508-A510 PolarHBondContact O-N 3.18Å; I508-R512 HydrophobicContact CG2-CB 4.04Å; I508-R512 VanDerWaalsContact CG2-CD 3.42Å; I508-R512 HydrophobicContact CG2-CG 4.38Å
509	P	95.4	Very high	93.8	Very high	25 Å²	25	29.9 Å²	29.9	16%	0.162	15%	0.154	C	C	.	.			trans	-55.1	137.9	-178.9	-28	36.7	0	0	0	112.1	G495 L497 E507 N511 R512	G495-P509 VanDerWaalsContact O-CG 3.24Å; G495-P509 WeakPolarHBondContact O-CG 3.27Å; L497-P509 HydrophobicContact CD1-CB 4.21Å; L497-P509 HydrophobicContact CD2-CB 3.94Å; L497-P509 HydrophobicContact CD2-CG 3.9Å; L497-P509 HydrophobicContact CG-CB 4.04Å; L497-P509 HydrophobicContact CG-CG 3.93Å; E507-P509 WeakPolarHBondContact O-CD 3.32Å; P509-N511 WeakPolarHBondContact CB-OD1 3.43Å; P509-N511 PolarHBondContact O-N 2.97Å; P509-R512 WeakPolarHBondContact O-CB 3.07Å; P509-R512 PolarHBondContact O-N 3.33Å
510	A	92.9	Very high	93.2	Very high	36 Å²	36	27.3 Å²	27.3	30%	0.298	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.9	-174.7	0	0	0	0	0	113	F91 R472 I508 R512	F91-A510 HydrophobicContact CD1-CB 4.26Å; F91-A510 VanDerWaalsContact CD1-O 3.28Å; F91-A510 WeakPolarHBondContact CD1-O 3.42Å; F91-A510 HydrophobicContact CE1-CB 3.59Å; R472-A510 VanDerWaalsContact CZ-CA 3.42Å; R472-A510 VanDerWaalsContact NH1-CA 3.34Å; I508-A510 PolarHBondContact O-N 3.18Å; A510-R512 VanDerWaalsContact C-N 3.27Å; A510-R512 PolarHBondContact O-N 2.78Å
511	N	91.6	Very high	92.4	Very high	68 Å²	68	24.8 Å²	24.8	36%	0.364	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	21.7	178.9	65.4	-28.4	0	0	0	113.9	G90 F91 P509	G90-N511 CarbonylContact O-C 3.45Å; F91-N511 HydrophobicContact CD1-CB 4.26Å; F91-N511 HydrophobicContact CE1-CB 4.18Å; P509-N511 WeakPolarHBondContact CB-OD1 3.43Å; P509-N511 PolarHBondContact O-N 2.97Å
512	R	93.1	Very high	91.6	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.011	12%	0.124	C	C	.	.			trans	-63.8	137.9	170	-168.9	173.6	-178.7	-161.8	10.5	110.2	L473 D478 L497 R500 I508 P509 A510 H516	L473-R512 PolarHBondContact O-NH1 2.89Å; D478-R512 VanDerWaalsContact CG-NH2 3.33Å; D478-R512 IonicContact OD1-CZ 2.86Å; D478-R512 IonicContact OD1-NH1 3.6Å; D478-R512 PolarHBondContact OD1-NH1 2.89Å; D478-R512 VanDerWaalsContact OD1-NH1 3.15Å; D478-R512 IonicContact OD1-NH2 2.81Å; D478-R512 PolarHBondContact OD1-NH2 3.32Å; D478-R512 IonicContact OD2-CZ 3.96Å; D478-R512 IonicContact OD2-NH1 3.67Å; D478-R512 PolarHBondContact OD2-NH1 3.06Å; D478-R512 IonicContact OD2-NH2 3.08Å; D478-R512 PolarHBondContact OD2-NH2 3.24Å; D478-R512 VanDerWaalsContact OD2-NH2 3.11Å; L497-R512 HydrophobicContact CD2-CB 3.81Å; L497-R512 HydrophobicContact CD2-CG 3.88Å; R500-R512 PolarHBondContact O-NH2 3.05Å; I508-R512 HydrophobicContact CG2-CB 4.04Å; I508-R512 VanDerWaalsContact CG2-CD 3.42Å; I508-R512 HydrophobicContact CG2-CG 4.38Å; P509-R512 WeakPolarHBondContact O-CB 3.07Å; P509-R512 PolarHBondContact O-N 3.33Å; A510-R512 VanDerWaalsContact C-N 3.27Å; A510-R512 PolarHBondContact O-N 2.78Å; R512-H516 HydrophobicContact CG-CB 3.95Å
513	Q	89	Confident	91.2	Very high	22 Å²	22	24.2 Å²	24.2	10%	0.103	13%	0.125	C	C	.	.			trans	-128.1	169.1	-179.2	-62.8	-174	9.6	0	0	109.6	S85 G90 K515 H516 A517	S85-Q513 PolarHBondContact OG-NE2 3.26Å; S85-Q513 PolarHBondContact OG-OE1 3.29Å; G90-Q513 WeakPolarHBondContact O-CG 3.45Å; G90-Q513 PolarHBondContact O-NE2 3.14Å; Q513-K515 VanDerWaalsContact C-N 3.28Å; Q513-K515 HydrophobicContact CB-CG 4.24Å; Q513-K515 PolarHBondContact O-N 3.39Å; Q513-H516 PolarHBondContact N-ND1 3.2Å; Q513-H516 VanDerWaalsContact N-ND1 3.14Å; Q513-H516 WeakPolarHBondContact O-CB 3.48Å; Q513-H516 PolarHBondContact O-N 3.1Å; Q513-A517 PolarHBondContact O-N 3.27Å; Q513-A517 VanDerWaalsContact O-N 3.15Å
514	C	90	Very high	90.8	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-50.8	-44.2	175.5	-64.5	0	0	0	0	113.3	Y83 H516 A517 D518 I519 C524 C526	Y83-C514 WeakPolarHBondContact OH-CB 3.24Å; C514-H516 VanDerWaalsContact C-N 3.28Å; C514-H516 PolarHBondContact O-N 2.71Å; C514-A517 CarbonylContact O-C 3.5Å; C514-A517 PolarHBondContact O-N 3.13Å; C514-D518 PolarHBondContact O-N 3.06Å; C514-I519 HydrophobicContact CB-CB 3.89Å; C514-I519 HydrophobicContact CB-CG2 4.47Å; C514-I519 PolarHBondContact O-N 3.14Å; C514-C524 HydrophobicContact CB-CB 3.72Å; C514-C524 WeakPolarHBondContact CB-SG 3.47Å; C514-C524 WeakPolarHBondContact SG-CA 3.07Å; C514-C524 WeakPolarHBondContact SG-CB 3.33Å; C514-C524 CovalentContact SG-SG 2.03Å; C514-C524 PolarHBondContact SG-SG 2.84Å; C514-C526 PolarHBondContact SG-SG 3.34Å
515	K	85.7	Confident	90.4	Very high	125 Å²	125	24.3 Å²	24.3	54%	0.543	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-60.1	-34.2	176.5	71.2	179.4	-176.2	178.2	0	113.9	Y83 Q513 A517	Y83-K515 PolarHBondContact OH-N 3.37Å; Q513-K515 VanDerWaalsContact C-N 3.28Å; Q513-K515 HydrophobicContact CB-CG 4.24Å; Q513-K515 PolarHBondContact O-N 3.39Å; K515-A517 VanDerWaalsContact C-N 3.31Å
516	H	90.8	Very high	89.8	Confident	39 Å²	39	24.6 Å²	24.6	18%	0.181	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-77.2	-22.2	177.9	-55.3	136.2	0	0	0	111.6	L497 R500 R512 Q513 C514	L497-H516 HydrophobicContact CB-CB 4.5Å; L497-H516 HydrophobicContact CD2-CB 4.11Å; R500-H516 WeakPolarHBondContact CA-O 3.43Å; R512-H516 HydrophobicContact CG-CB 3.95Å; Q513-H516 PolarHBondContact N-ND1 3.2Å; Q513-H516 VanDerWaalsContact N-ND1 3.14Å; Q513-H516 WeakPolarHBondContact O-CB 3.48Å; Q513-H516 PolarHBondContact O-N 3.1Å; C514-H516 VanDerWaalsContact C-N 3.28Å; C514-H516 PolarHBondContact O-N 2.71Å
517	A	93.4	Very high	89	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-100.9	5.7	-178.8	0	0	0	0	0	113	L473 T475 Q513 C514 K515 I519	L473-A517 HydrophobicContact CD2-CB 4.38Å; T475-A517 HydrophobicContact CG2-CB 3.93Å; Q513-A517 PolarHBondContact O-N 3.27Å; Q513-A517 VanDerWaalsContact O-N 3.15Å; C514-A517 CarbonylContact O-C 3.5Å; C514-A517 PolarHBondContact O-N 3.13Å; K515-A517 VanDerWaalsContact C-N 3.31Å; A517-I519 VanDerWaalsContact C-N 3.31Å; A517-I519 HydrophobicContact CB-CD1 3.88Å; A517-I519 HydrophobicContact CB-CG1 3.87Å; A517-I519 PolarHBondContact O-N 2.93Å
518	D	90.5	Very high	88.1	Confident	33 Å²	33	25.4 Å²	25.4	18%	0.176	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	40.6	-175.9	-156.2	31.7	0	0	0	113.3	R79 F477 R500 C514	R79-D518 IonicContact CZ-OD1 2.85Å; R79-D518 VanDerWaalsContact CZ-OD1 3.31Å; R79-D518 IonicContact CZ-OD2 3.5Å; R79-D518 IonicContact NH1-OD1 3.64Å; R79-D518 PolarHBondContact NH1-OD1 3.35Å; R79-D518 IonicContact NH1-OD2 2.95Å; R79-D518 PolarHBondContact NH1-OD2 3.03Å; R79-D518 IonicContact NH2-OD1 3.82Å; R79-D518 PolarHBondContact NH2-OD1 2.98Å; R79-D518 IonicContact NH2-OD2 3.68Å; R79-D518 PolarHBondContact NH2-OD2 2.95Å; F477-D518 HydrophobicContact CE2-CB 4.39Å; R500-D518 HydrophobicContact CB-CB 3.83Å; R500-D518 IonicContact NH1-OD2 2.79Å; R500-D518 PolarHBondContact NH1-OD2 3.4Å; C514-D518 PolarHBondContact O-N 3.06Å
519	I	89.3	Confident	87.4	Confident	4 Å²	4	27 Å²	27	2%	0.021	14%	0.138	C	C	.	.			trans	-97.4	122.8	176.6	-52.1	172.7	0	0	0	109	Y83 N255 L257 L473 T475 C514 A517 W523 C524	Y83-I519 PolarHBondContact OH-O 3.21Å; N255-I519 HydrophobicContact CB-CD1 4.21Å; L257-I519 HydrophobicContact CD2-CG1 4Å; L473-I519 HydrophobicContact CD1-CD1 4.01Å; L473-I519 HydrophobicContact CD2-CD1 4.03Å; L473-I519 HydrophobicContact CG-CD1 4.23Å; T475-I519 HydrophobicContact CG2-CD1 3.64Å; T475-I519 HydrophobicContact CG2-CG1 3.85Å; C514-I519 HydrophobicContact CB-CB 3.89Å; C514-I519 HydrophobicContact CB-CG2 4.47Å; C514-I519 PolarHBondContact O-N 3.14Å; A517-I519 VanDerWaalsContact C-N 3.31Å; A517-I519 HydrophobicContact CB-CD1 3.88Å; A517-I519 HydrophobicContact CB-CG1 3.87Å; A517-I519 PolarHBondContact O-N 2.93Å; I519-W523 HydrophobicContact CG2-CB 3.8Å; I519-C524 HydrophobicContact CG2-CB 4.44Å
520	E	82.7	Confident	86.8	Confident	48 Å²	48	31.4 Å²	31.4	22%	0.224	15%	0.154	C	C	.	.			trans	-64.3	151.1	176.1	-64.7	80.9	-179	0	0	111.5	L257 Q522 W523 C524	L257-E520 VanDerWaalsContact O-OE2 3.14Å; E520-Q522 VanDerWaalsContact C-N 3.26Å; E520-Q522 PolarHBondContact O-N 2.96Å; E520-Q522 VanDerWaalsContact O-N 3.15Å; E520-W523 CarbonylContact O-C 3.5Å; E520-W523 PolarHBondContact O-N 3.41Å; E520-C524 PolarHBondContact O-N 3.34Å; E520-C524 VanDerWaalsContact O-N 3.1Å
521	P	77.3	Confident	86.5	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.039	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.2	-34.8	-173.8	9.1	-19.2	0	0	0	114.3	F80 Y83 W523 C524 L527	F80-P521 HydrophobicContact CD2-CG 3.97Å; Y83-P521 HydrophobicContact CD1-CB 3.72Å; Y83-P521 HydrophobicContact CD1-CG 3.49Å; Y83-P521 VanDerWaalsContact CD1-CG 3.49Å; Y83-P521 HydrophobicContact CD2-CB 4.11Å; Y83-P521 HydrophobicContact CE1-CB 3.99Å; Y83-P521 HydrophobicContact CE1-CG 3.86Å; Y83-P521 HydrophobicContact CE2-CB 4.35Å; Y83-P521 HydrophobicContact CG-CB 3.77Å; Y83-P521 HydrophobicContact CG-CG 3.98Å; P521-W523 PolarHBondContact O-N 2.78Å; P521-C524 WeakPolarHBondContact O-CB 3.17Å; P521-C524 PolarHBondContact O-N 2.81Å; P521-L527 HydrophobicContact CB-CD1 3.97Å; P521-L527 VanDerWaalsContact O-CD1 3.27Å; P521-L527 WeakPolarHBondContact O-CD1 3.46Å
522	Q	81.8	Confident	86.3	Confident	12 Å²	12	35.3 Å²	35.3	6%	0.056	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-60.2	-35.8	176.1	-176	179.2	40.6	0	0	113.1	E520 T622 V638	E520-Q522 VanDerWaalsContact C-N 3.26Å; E520-Q522 PolarHBondContact O-N 2.96Å; E520-Q522 VanDerWaalsContact O-N 3.15Å; Q522-T622 HydrophobicContact CB-CG2 3.82Å; Q522-T622 HydrophobicContact CG-CG2 3.99Å; Q522-V638 PolarHBondContact NE2-O 3.04Å; Q522-V638 VanDerWaalsContact OE1-CB 3.22Å; Q522-V638 PolarHBondContact OE1-O 2.86Å
523	W	89.1	Confident	86	Confident	11 Å²	11	37.7 Å²	37.7	4%	0.042	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-94.3	-1.7	-177	-50.9	118.5	0	0	0	112.2	N255 I256 D259 L443 I519 E520 P521 P525 S640	N255-W523 PolarHBondContact ND2-O 3.09Å; I256-W523 HydrophobicContact CD1-CD2 4.46Å; I256-W523 HydrophobicContact CD1-CE3 3.61Å; I256-W523 HydrophobicContact CD1-CZ3 3.88Å; I256-W523 HydrophobicContact CG1-CE3 4.14Å; D259-W523 HydrophobicContact CB-CH2 3.65Å; D259-W523 HydrophobicContact CB-CZ2 3.58Å; D259-W523 VanDerWaalsContact N-CZ2 3.31Å; L443-W523 HydrophobicContact CD2-CE3 3.66Å; L443-W523 HydrophobicContact CD2-CZ3 4.25Å; I519-W523 HydrophobicContact CG2-CB 3.8Å; E520-W523 CarbonylContact O-C 3.5Å; E520-W523 PolarHBondContact O-N 3.41Å; P521-W523 PolarHBondContact O-N 2.78Å; W523-P525 VanDerWaalsContact O-CD 3.29Å; W523-P525 WeakPolarHBondContact O-CD 3.48Å; W523-S640 WeakPolarHBondContact CH2-OG 3.46Å
524	C	88.8	Confident	85.9	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.034	19%	0.194	C	C	.	.			trans	-77.2	114.4	-174.9	-179.2	0	0	0	0	111.7	C514 I519 E520 P521 C526 L527	C514-C524 HydrophobicContact CB-CB 3.72Å; C514-C524 WeakPolarHBondContact CB-SG 3.47Å; C514-C524 WeakPolarHBondContact SG-CA 3.07Å; C514-C524 WeakPolarHBondContact SG-CB 3.33Å; C514-C524 CovalentContact SG-SG 2.03Å; C514-C524 PolarHBondContact SG-SG 2.84Å; I519-C524 HydrophobicContact CG2-CB 4.44Å; E520-C524 PolarHBondContact O-N 3.34Å; E520-C524 VanDerWaalsContact O-N 3.1Å; P521-C524 WeakPolarHBondContact O-CB 3.17Å; P521-C524 PolarHBondContact O-N 2.81Å; C524-C526 PolarHBondContact O-N 2.91Å; C524-L527 HydrophobicContact CB-CD1 4.16Å; C524-L527 HydrophobicContact CB-CG 3.99Å; C524-L527 PolarHBondContact O-N 3.23Å
525	P	88.9	Confident	85.5	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.058	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.3	-178	35.5	-39.7	0	0	0	112.5	I94 N255 L443 L473 W523 L527	I94-P525 HydrophobicContact CD1-CB 4.07Å; I94-P525 HydrophobicContact CD1-CG 3.95Å; I94-P525 HydrophobicContact CG1-CB 4.01Å; I94-P525 HydrophobicContact CG1-CG 4.1Å; I94-P525 HydrophobicContact CG2-CB 4.21Å; N255-P525 HydrophobicContact CB-CG 4.31Å; N255-P525 WeakPolarHBondContact OD1-CB 3.48Å; N255-P525 VanDerWaalsContact OD1-CD 3.23Å; N255-P525 WeakPolarHBondContact OD1-CD 3.47Å; N255-P525 WeakPolarHBondContact OD1-CG 3.11Å; L443-P525 HydrophobicContact CD1-CB 4.48Å; L473-P525 HydrophobicContact CD1-CG 4.04Å; W523-P525 VanDerWaalsContact O-CD 3.29Å; W523-P525 WeakPolarHBondContact O-CD 3.48Å; P525-L527 VanDerWaalsContact C-N 3.34Å
526	C	85	Confident	85.4	Confident	8 Å²	8	41.4 Å²	41.4	5%	0.054	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.6	179.6	-32.5	0	0	0	0	112.8	S86 C92 Q93 C514 C524	S86-C526 PolarHBondContact OG-O 2.91Å; C92-C526 HydrophobicContact CB-CB 3.98Å; C92-C526 WeakPolarHBondContact CB-SG 3.26Å; C92-C526 WeakPolarHBondContact SG-CB 3.4Å; C92-C526 CovalentContact SG-SG 2.02Å; C92-C526 PolarHBondContact SG-SG 2.91Å; Q93-C526 WeakPolarHBondContact O-CA 3.39Å; C514-C526 PolarHBondContact SG-SG 3.34Å; C524-C526 PolarHBondContact O-N 2.91Å
527	L	79.4	Confident	85	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	22%	0.221	C	C	.	.			trans	-81.4	132	179.5	-65.7	-175.4	0	0	0	110.6	Y83 P521 C524 P525 W529	Y83-L527 HydrophobicContact CD2-CD1 4.46Å; Y83-L527 HydrophobicContact CD2-CD2 4.19Å; Y83-L527 HydrophobicContact CE2-CD2 4.33Å; P521-L527 HydrophobicContact CB-CD1 3.97Å; P521-L527 VanDerWaalsContact O-CD1 3.27Å; P521-L527 WeakPolarHBondContact O-CD1 3.46Å; C524-L527 HydrophobicContact CB-CD1 4.16Å; C524-L527 HydrophobicContact CB-CG 3.99Å; C524-L527 PolarHBondContact O-N 3.23Å; P525-L527 VanDerWaalsContact C-N 3.34Å; L527-W529 HydrophobicContact CB-CZ2 4.29Å; L527-W529 HydrophobicContact CD1-CH2 4.43Å; L527-W529 HydrophobicContact CD1-CZ2 3.96Å
528	M	79.2	Confident	84.6	Confident	71 Å²	71	44.2 Å²	44.2	35%	0.35	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.2	170.8	-72.9	179.3	43.7	0	0	109.7	S575 Q576	M528-S575 CarbonylContact O-C 3.57Å; M528-S575 WeakPolarHBondContact O-CA 3.29Å; M528-Q576 HydrophobicContact CB-CB 4.34Å; M528-Q576 PolarHBondContact O-N 3.15Å
529	W	82.4	Confident	84.5	Confident	35 Å²	35	42.7 Å²	42.7	13%	0.133	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.1	-177.6	-60.7	93.4	0	0	0	110.5	L527 Q573 T605 R607 T622	L527-W529 HydrophobicContact CB-CZ2 4.29Å; L527-W529 HydrophobicContact CD1-CH2 4.43Å; L527-W529 HydrophobicContact CD1-CZ2 3.96Å; W529-Q573 HydrophobicContact CB-CB 4.17Å; W529-Q573 HydrophobicContact CE3-CB 4.15Å; W529-T605 HydrophobicContact CH2-CG2 3.97Å; W529-T605 HydrophobicContact CZ3-CG2 4.35Å; W529-R607 HydrophobicContact CD2-CB 4.45Å; W529-R607 HydrophobicContact CE3-CB 3.79Å; W529-R607 HydrophobicContact CH2-CB 3.92Å; W529-R607 HydrophobicContact CZ3-CB 3.5Å; W529-R607 VanDerWaalsContact CZ3-CB 3.5Å; W529-T622 HydrophobicContact CH2-CG2 3.82Å; W529-T622 HydrophobicContact CZ2-CG2 4.41Å
530	K	83.1	Confident	84.5	Confident	117 Å²	117	45.5 Å²	45.5	51%	0.509	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.7	171	173.4	174.9	179.1	-177.4	0	109.9	V532 Q573 L574 Q576	K530-V532 PolarHBondContact O-N 2.57Å; K530-Q573 CarbonylContact O-C 3.53Å; K530-Q573 WeakPolarHBondContact O-CA 3.42Å; K530-L574 PolarHBondContact N-O 3.27Å; K530-L574 PolarHBondContact O-N 2.85Å; K530-Q576 VanDerWaalsContact CB-CD 3.45Å; K530-Q576 HydrophobicContact CB-CG 3.51Å; K530-Q576 HydrophobicContact CD-CG 4.47Å
531	K	86.8	Confident	84.8	Confident	140 Å²	140	43.3 Å²	43.3	61%	0.609	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.1	171	-170.2	168.2	-176.7	167.1	0	110.6	D571	K531-D571 WeakPolarHBondContact CE-OD1 3.25Å; K531-D571 IonicContact NZ-OD1 3.46Å
532	V	87	Confident	85.5	Confident	45 Å²	45	43 Å²	43	27%	0.273	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	169.3	174.4	-60.3	0	0	0	0	109.8	K530 N534 V572 L574	K530-V532 PolarHBondContact O-N 2.57Å; V532-N534 PolarHBondContact O-N 3Å; V532-V572 HydrophobicContact CG2-CB 3.76Å; V532-V572 HydrophobicContact CG2-CG1 3.42Å; V532-V572 VanDerWaalsContact CG2-CG1 3.42Å; V532-V572 WeakPolarHBondContact CG2-O 3.33Å; V532-V572 PolarHBondContact N-O 2.84Å; V532-L574 HydrophobicContact CG1-CB 3.97Å
533	A	85.4	Confident	86.1	Confident	54 Å²	54	42.4 Å²	42.4	45%	0.446	22%	0.218	S	C	.	.			trans	-63.6	127.7	180	0	0	0	0	0	111.3	T536	A533-T536 HydrophobicContact CB-CG2 3.74Å
534	N	88	Confident	86.3	Confident	52 Å²	52	42.9 Å²	42.9	28%	0.278	22%	0.22	S	C	.	.	S	Bend	trans	-93.1	-5.8	-177.3	60.9	-8.6	0	0	0	113.4	V532 V569 V570 V572	V532-N534 PolarHBondContact O-N 3Å; N534-V569 HydrophobicContact CB-CG1 4.12Å; N534-V569 PolarHBondContact ND2-O 3.29Å; N534-V570 PolarHBondContact ND2-O 3.07Å; N534-V572 HydrophobicContact CB-CG2 3.9Å
535	D	81.8	Confident	86.6	Confident	118 Å²	118	43.2 Å²	43.2	63%	0.631	22%	0.221	S	C	*	.	S	Bend	trans	-96.9	2.1	179	67.3	-23.6	0	0	0	113.6
536	T	83.2	Confident	86.9	Confident	56 Å²	56	42.8 Å²	42.8	34%	0.344	22%	0.219	S	C	.	.	S	Bend	trans	-67.5	151.9	179.9	66.4	0	0	0	0	112	A533 F538 A539 W540	A533-T536 HydrophobicContact CB-CG2 3.74Å; T536-F538 PolarHBondContact O-N 2.74Å; T536-A539 PolarHBondContact O-N 2.9Å; T536-A539 VanDerWaalsContact O-N 3.14Å; T536-A539 VanDerWaalsContact OG1-CB 3.24Å; T536-A539 WeakPolarHBondContact OG1-CB 3.41Å; T536-A539 PolarHBondContact OG1-N 2.9Å; T536-A539 VanDerWaalsContact OG1-N 3.07Å; T536-W540 PolarHBondContact O-N 3.47Å; T536-W540 VanDerWaalsContact O-N 3.11Å
537	V	81.2	Confident	87.4	Confident	56 Å²	56	42.5 Å²	42.5	34%	0.339	22%	0.217	S	C	.	.	H	α-helix	trans	-55.6	-38.9	174.1	177.8	0	0	0	0	110.9	K57 C58 A61 L67 Y541	K57-V537 HydrophobicContact CB-CG2 4.24Å; C58-V537 HydrophobicContact CB-CG1 4.4Å; A61-V537 HydrophobicContact CB-CG1 4.31Å; L67-V537 HydrophobicContact CD1-CG1 4.41Å; L67-V537 HydrophobicContact CD2-CG1 4.47Å; V537-Y541 VanDerWaalsContact O-CB 3.25Å; V537-Y541 WeakPolarHBondContact O-CB 3.46Å; V537-Y541 PolarHBondContact O-N 3.46Å
538	F	85.8	Confident	88.1	Confident	43 Å²	43	44 Å²	44	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-47.9	176.3	179.1	-100.7	0	0	0	112.3	L67 P68 T536 W540 Y541 V542 Y606 L625	L67-F538 HydrophobicContact CD2-CD2 4.35Å; P68-F538 HydrophobicContact CG-CE2 4.02Å; T536-F538 PolarHBondContact O-N 2.74Å; F538-W540 PolarHBondContact O-N 2.85Å; F538-Y541 PolarHBondContact O-N 3.05Å; F538-V542 HydrophobicContact CD1-CG2 4.16Å; F538-V542 HydrophobicContact CD2-CG2 4.24Å; F538-V542 HydrophobicContact CE1-CG2 3.77Å; F538-V542 HydrophobicContact CE2-CG2 3.87Å; F538-V542 HydrophobicContact CG-CG2 4.39Å; F538-V542 HydrophobicContact CZ-CG2 3.61Å; F538-V542 VanDerWaalsContact O-CG2 3.28Å; F538-V542 WeakPolarHBondContact O-CG2 3.37Å; F538-V542 PolarHBondContact O-N 3.19Å; F538-Y606 HydrophobicContact CE1-CD1 4.33Å; F538-Y606 HydrophobicContact CE1-CD2 4.12Å; F538-Y606 HydrophobicContact CE1-CE1 4.04Å; F538-Y606 AromaticContact CE1-CE2 3.82Å; F538-Y606 HydrophobicContact CE1-CE2 3.82Å; F538-Y606 HydrophobicContact CE1-CG 4.36Å; F538-Y606 AromaticContact CE1-CZ 3.77Å; F538-Y606 HydrophobicContact CZ-CD2 4.32Å; F538-Y606 AromaticContact CZ-CE2 3.97Å; F538-Y606 HydrophobicContact CZ-CE2 3.97Å; F538-L625 HydrophobicContact CE2-CD2 4.35Å; F538-L625 HydrophobicContact CZ-CD2 4.23Å
539	A	88.8	Confident	88.8	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-46.2	179.4	0	0	0	0	0	112.3	T536 G543 V569 V572	T536-A539 PolarHBondContact O-N 2.9Å; T536-A539 VanDerWaalsContact O-N 3.14Å; T536-A539 VanDerWaalsContact OG1-CB 3.24Å; T536-A539 WeakPolarHBondContact OG1-CB 3.41Å; T536-A539 PolarHBondContact OG1-N 2.9Å; T536-A539 VanDerWaalsContact OG1-N 3.07Å; A539-G543 PolarHBondContact O-N 3.19Å; A539-V569 HydrophobicContact CB-CG1 4.41Å; A539-V572 HydrophobicContact CB-CG2 3.86Å
540	W	89.5	Confident	89.3	Confident	62 Å²	62	39.1 Å²	39.1	24%	0.235	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-43.3	176.4	-82.4	84.1	0	0	0	112.3	T536 F538 V542 G543 E544 L566 V569	T536-W540 PolarHBondContact O-N 3.47Å; T536-W540 VanDerWaalsContact O-N 3.11Å; F538-W540 PolarHBondContact O-N 2.85Å; W540-V542 PolarHBondContact O-N 3.39Å; W540-G543 PolarHBondContact O-N 2.91Å; W540-E544 WeakPolarHBondContact O-CG 3.41Å; W540-E544 PolarHBondContact O-N 3.14Å; W540-L566 HydrophobicContact CD2-CD2 4.49Å; W540-L566 HydrophobicContact CE3-CD2 3.6Å; W540-L566 HydrophobicContact CE3-CG 4.5Å; W540-L566 HydrophobicContact CZ3-CD2 3.86Å; W540-L566 HydrophobicContact CZ3-CG 4.28Å; W540-V569 HydrophobicContact CD2-CG2 4.14Å; W540-V569 HydrophobicContact CG-CG2 4.25Å
541	Y	87.7	Confident	89.9	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-56	-51.9	174.7	174.3	-106.8	0	0	0	111.2	V42 L62 L67 P68 V70 V537 F538 G543 E544 Q545	V42-Y541 HydrophobicContact CG1-CE2 3.83Å; L62-Y541 HydrophobicContact CD1-CE2 4.13Å; L67-Y541 HydrophobicContact CB-CD1 4.21Å; L67-Y541 HydrophobicContact CB-CE1 4.07Å; L67-Y541 HydrophobicContact CB-CG 4.49Å; L67-Y541 HydrophobicContact CD1-CD1 4.38Å; L67-Y541 HydrophobicContact CD1-CD2 3.79Å; L67-Y541 HydrophobicContact CD1-CE2 4.25Å; L67-Y541 HydrophobicContact CD1-CG 3.85Å; L67-Y541 HydrophobicContact CD2-CD1 4.03Å; L67-Y541 HydrophobicContact CD2-CG 4.07Å; L67-Y541 HydrophobicContact CG-CD1 4.44Å; L67-Y541 HydrophobicContact CG-CG 4.36Å; P68-Y541 HydrophobicContact CG-CE1 4.03Å; P68-Y541 WeakPolarHBondContact O-CE1 3.3Å; P68-Y541 PolarHBondContact O-OH 2.85Å; V70-Y541 HydrophobicContact CG2-CE1 4.41Å; V70-Y541 WeakPolarHBondContact CG2-OH 3.29Å; V537-Y541 VanDerWaalsContact O-CB 3.25Å; V537-Y541 WeakPolarHBondContact O-CB 3.46Å; V537-Y541 PolarHBondContact O-N 3.46Å; F538-Y541 PolarHBondContact O-N 3.05Å; Y541-G543 VanDerWaalsContact C-N 3.31Å; Y541-G543 PolarHBondContact O-N 3.4Å; Y541-E544 WeakPolarHBondContact O-CB 3.44Å; Y541-E544 PolarHBondContact O-N 2.99Å; Y541-Q545 HydrophobicContact CD1-CG 4.36Å; Y541-Q545 HydrophobicContact CD2-CG 4.25Å; Y541-Q545 HydrophobicContact CE1-CG 4.03Å; Y541-Q545 HydrophobicContact CE2-CG 3.91Å; Y541-Q545 HydrophobicContact CG-CG 4.48Å; Y541-Q545 VanDerWaalsContact O-CG 3.3Å; Y541-Q545 WeakPolarHBondContact O-CG 3.22Å; Y541-Q545 PolarHBondContact O-N 2.83Å
542	V	92.1	Very high	90.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-43.6	177.9	175.5	0	0	0	0	111	F538 W540 E544 Q545 I546 L608 V623 L632	F538-V542 HydrophobicContact CD1-CG2 4.16Å; F538-V542 HydrophobicContact CD2-CG2 4.24Å; F538-V542 HydrophobicContact CE1-CG2 3.77Å; F538-V542 HydrophobicContact CE2-CG2 3.87Å; F538-V542 HydrophobicContact CG-CG2 4.39Å; F538-V542 HydrophobicContact CZ-CG2 3.61Å; F538-V542 VanDerWaalsContact O-CG2 3.28Å; F538-V542 WeakPolarHBondContact O-CG2 3.37Å; F538-V542 PolarHBondContact O-N 3.19Å; W540-V542 PolarHBondContact O-N 3.39Å; V542-E544 PolarHBondContact O-N 2.87Å; V542-Q545 PolarHBondContact O-N 3.14Å; V542-I546 HydrophobicContact CG1-CD1 3.83Å; V542-I546 HydrophobicContact CG1-CG1 4.43Å; V542-I546 VanDerWaalsContact O-CG1 3.26Å; V542-I546 WeakPolarHBondContact O-CG1 3.26Å; V542-I546 PolarHBondContact O-N 3.25Å; V542-L608 HydrophobicContact CB-CD2 3.88Å; V542-L608 HydrophobicContact CG1-CD1 3.71Å; V542-L608 HydrophobicContact CG1-CD2 3.49Å; V542-L608 VanDerWaalsContact CG1-CD2 3.49Å; V542-L608 HydrophobicContact CG1-CG 4.26Å; V542-V623 HydrophobicContact CG1-CG1 4.22Å; V542-V623 HydrophobicContact CG1-CG2 3.88Å; V542-L632 HydrophobicContact CB-CD2 4.39Å; V542-L632 HydrophobicContact CG1-CD2 4.23Å; V542-L632 HydrophobicContact CG2-CD1 4.15Å; V542-L632 HydrophobicContact CG2-CD2 3.86Å
543	G	94.5	Very high	90.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.1	-45.3	175.6	0	0	0	0	0	113	A539 W540 Y541 I546 V547	A539-G543 PolarHBondContact O-N 3.19Å; W540-G543 PolarHBondContact O-N 2.91Å; Y541-G543 VanDerWaalsContact C-N 3.31Å; Y541-G543 PolarHBondContact O-N 3.4Å; G543-I546 PolarHBondContact O-N 2.73Å; G543-V547 WeakPolarHBondContact O-CG2 2.9Å; G543-V547 PolarHBondContact O-N 2.94Å
544	E	94	Very high	90.7	Very high	20 Å²	20	34.3 Å²	34.3	9%	0.093	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-43.5	176.5	-73.4	-73.9	150.4	0	0	111.3	W540 Y541 V542 I546 V547 N548 L566	W540-E544 WeakPolarHBondContact O-CG 3.41Å; W540-E544 PolarHBondContact O-N 3.14Å; Y541-E544 WeakPolarHBondContact O-CB 3.44Å; Y541-E544 PolarHBondContact O-N 2.99Å; V542-E544 PolarHBondContact O-N 2.87Å; E544-I546 VanDerWaalsContact C-N 3.3Å; E544-I546 PolarHBondContact O-N 3.03Å; E544-V547 PolarHBondContact O-N 3.3Å; E544-N548 WeakPolarHBondContact O-CB 3.27Å; E544-N548 PolarHBondContact O-N 3.4Å; E544-N548 PolarHBondContact O-ND2 2.99Å; E544-L566 HydrophobicContact CG-CD2 3.95Å; E544-L566 VanDerWaalsContact OE1-CB 3.31Å; E544-L566 WeakPolarHBondContact OE1-CB 3.1Å
545	Q	93.9	Very high	90.9	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-35.3	178.6	-60	-46.3	-45.9	0	0	112.3	K43 V70 Y541 V542 N548 A549 I634	K43-Q545 PolarHBondContact O-NE2 3.47Å; V70-Q545 HydrophobicContact CG1-CB 4.27Å; V70-Q545 HydrophobicContact CG2-CB 4.06Å; V70-Q545 HydrophobicContact CG2-CG 3.56Å; Y541-Q545 HydrophobicContact CD1-CG 4.36Å; Y541-Q545 HydrophobicContact CD2-CG 4.25Å; Y541-Q545 HydrophobicContact CE1-CG 4.03Å; Y541-Q545 HydrophobicContact CE2-CG 3.91Å; Y541-Q545 HydrophobicContact CG-CG 4.48Å; Y541-Q545 VanDerWaalsContact O-CG 3.3Å; Y541-Q545 WeakPolarHBondContact O-CG 3.22Å; Y541-Q545 PolarHBondContact O-N 2.83Å; V542-Q545 PolarHBondContact O-N 3.14Å; Q545-N548 PolarHBondContact O-N 2.98Å; Q545-A549 PolarHBondContact O-N 3.27Å; Q545-I634 HydrophobicContact CB-CD1 3.78Å
546	I	95.1	Very high	91.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-47.5	172	-68.8	162.9	0	0	0	110.4	V542 G543 E544 N548 A549 F550 L608 I610 T621 V623 I634	V542-I546 HydrophobicContact CG1-CD1 3.83Å; V542-I546 HydrophobicContact CG1-CG1 4.43Å; V542-I546 VanDerWaalsContact O-CG1 3.26Å; V542-I546 WeakPolarHBondContact O-CG1 3.26Å; V542-I546 PolarHBondContact O-N 3.25Å; G543-I546 PolarHBondContact O-N 2.73Å; E544-I546 VanDerWaalsContact C-N 3.3Å; E544-I546 PolarHBondContact O-N 3.03Å; I546-N548 VanDerWaalsContact C-N 3.34Å; I546-N548 PolarHBondContact O-N 3.5Å; I546-A549 WeakPolarHBondContact O-CB 3.43Å; I546-A549 PolarHBondContact O-N 2.65Å; I546-F550 HydrophobicContact CG2-CD1 4.26Å; I546-F550 HydrophobicContact CG2-CE1 3.43Å; I546-F550 VanDerWaalsContact CG2-CE1 3.43Å; I546-F550 HydrophobicContact CG2-CE2 3.92Å; I546-F550 HydrophobicContact CG2-CZ 3.23Å; I546-F550 WeakPolarHBondContact O-CD1 3.38Å; I546-F550 WeakPolarHBondContact O-CG 3.05Å; I546-F550 PolarHBondContact O-N 3.3Å; I546-L608 HydrophobicContact CD1-CB 4.37Å; I546-L608 HydrophobicContact CD1-CD2 4.36Å; I546-I610 HydrophobicContact CB-CD1 4.11Å; I546-I610 HydrophobicContact CG2-CD1 3.59Å; I546-T621 HydrophobicContact CD1-CG2 3.62Å; I546-T621 HydrophobicContact CG1-CG2 4.17Å; I546-T621 HydrophobicContact CG2-CG2 4.3Å; I546-V623 HydrophobicContact CD1-CG1 4.14Å; I546-V623 HydrophobicContact CG1-CG1 4.34Å; I546-I634 HydrophobicContact CG1-CD1 4.04Å; I546-I634 HydrophobicContact CG1-CG2 4.39Å
547	V	95.7	Very high	91.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-37.1	178.4	176.2	0	0	0	0	111.8	G543 E544 A549 F550 N551 L564 L566 I610 T612	G543-V547 WeakPolarHBondContact O-CG2 2.9Å; G543-V547 PolarHBondContact O-N 2.94Å; E544-V547 PolarHBondContact O-N 3.3Å; V547-A549 VanDerWaalsContact C-N 3.31Å; V547-A549 PolarHBondContact O-N 2.89Å; V547-F550 WeakPolarHBondContact O-CB 3.45Å; V547-F550 PolarHBondContact O-N 3.26Å; V547-F550 VanDerWaalsContact O-N 3.09Å; V547-N551 PolarHBondContact O-N 3.47Å; V547-N551 PolarHBondContact O-ND2 3.24Å; V547-L564 HydrophobicContact CG1-CB 3.99Å; V547-L564 VanDerWaalsContact CG1-O 3.3Å; V547-L564 WeakPolarHBondContact CG1-O 3.22Å; V547-L566 HydrophobicContact CG2-CB 3.97Å; V547-L566 HydrophobicContact CG2-CD1 4.07Å; V547-I610 HydrophobicContact CG2-CD1 3.79Å; V547-T612 HydrophobicContact CG2-CG2 3.73Å
548	N	94.1	Very high	92.3	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.193	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-42.1	172.7	-71.5	-27.1	0	0	0	111.4	E544 Q545 I546 F550 N551 K552	E544-N548 WeakPolarHBondContact O-CB 3.27Å; E544-N548 PolarHBondContact O-N 3.4Å; E544-N548 PolarHBondContact O-ND2 2.99Å; Q545-N548 PolarHBondContact O-N 2.98Å; I546-N548 VanDerWaalsContact C-N 3.34Å; I546-N548 PolarHBondContact O-N 3.5Å; N548-F550 VanDerWaalsContact C-N 3.29Å; N548-F550 PolarHBondContact O-N 3.21Å; N548-N551 PolarHBondContact O-N 2.03Å; N548-K552 WeakPolarHBondContact O-CB 3.07Å; N548-K552 PolarHBondContact O-N 2.84Å
549	A	93.8	Very high	92.7	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-36.1	174	0	0	0	0	0	112	V72 Q545 I546 V547 K552 R553 M636	V72-A549 HydrophobicContact CG1-CB 3.86Å; V72-A549 HydrophobicContact CG2-CB 4.02Å; Q545-A549 PolarHBondContact O-N 3.27Å; I546-A549 WeakPolarHBondContact O-CB 3.43Å; I546-A549 PolarHBondContact O-N 2.65Å; V547-A549 VanDerWaalsContact C-N 3.31Å; V547-A549 PolarHBondContact O-N 2.89Å; A549-K552 PolarHBondContact O-N 3.27Å; A549-R553 PolarHBondContact O-N 3.16Å; A549-M636 HydrophobicContact CB-CG 4.32Å; A549-M636 HydrophobicContact CB-SD 3.59Å; A549-M636 VanDerWaalsContact CB-SD 3.59Å
550	F	94.7	Very high	93.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-49.2	174.8	-59	-8	0	0	0	111.3	I546 V547 N548 K552 R553 L554 L564 I610 T612 Y619 M636 V639 W662	I546-F550 HydrophobicContact CG2-CD1 4.26Å; I546-F550 HydrophobicContact CG2-CE1 3.43Å; I546-F550 VanDerWaalsContact CG2-CE1 3.43Å; I546-F550 HydrophobicContact CG2-CE2 3.92Å; I546-F550 HydrophobicContact CG2-CZ 3.23Å; I546-F550 WeakPolarHBondContact O-CD1 3.38Å; I546-F550 WeakPolarHBondContact O-CG 3.05Å; I546-F550 PolarHBondContact O-N 3.3Å; V547-F550 WeakPolarHBondContact O-CB 3.45Å; V547-F550 PolarHBondContact O-N 3.26Å; V547-F550 VanDerWaalsContact O-N 3.09Å; N548-F550 VanDerWaalsContact C-N 3.29Å; N548-F550 PolarHBondContact O-N 3.21Å; F550-K552 VanDerWaalsContact C-N 3.27Å; F550-K552 PolarHBondContact O-N 2.91Å; F550-R553 WeakPolarHBondContact O-CB 3.46Å; F550-R553 PolarHBondContact O-N 2.86Å; F550-R553 VanDerWaalsContact O-N 3.08Å; F550-L554 WeakPolarHBondContact O-CG 3.04Å; F550-L554 PolarHBondContact O-N 2.04Å; F550-L564 HydrophobicContact CB-CD1 4.24Å; F550-L564 HydrophobicContact CD2-CD1 4.14Å; F550-I610 HydrophobicContact CE2-CD1 4.15Å; F550-I610 HydrophobicContact CZ-CD1 4.44Å; F550-T612 HydrophobicContact CE2-CG2 4.48Å; F550-Y619 HydrophobicContact CD2-CD2 4.38Å; F550-Y619 HydrophobicContact CD2-CE2 4.14Å; F550-Y619 HydrophobicContact CE2-CD1 4.04Å; F550-Y619 AromaticContact CE2-CD2 3.49Å; F550-Y619 HydrophobicContact CE2-CD2 3.49Å; F550-Y619 VanDerWaalsContact CE2-CD2 3.49Å; F550-Y619 HydrophobicContact CE2-CE1 4.24Å; F550-Y619 AromaticContact CE2-CE2 3.68Å; F550-Y619 HydrophobicContact CE2-CE2 3.68Å; F550-Y619 AromaticContact CE2-CG 3.65Å; F550-Y619 HydrophobicContact CE2-CG 3.65Å; F550-Y619 HydrophobicContact CZ-CD1 4.14Å; F550-Y619 HydrophobicContact CZ-CD2 4.21Å; F550-Y619 AromaticContact CZ-CG 3.91Å; F550-Y619 HydrophobicContact CZ-CG 3.91Å; F550-M636 HydrophobicContact CD1-CE 3.61Å; F550-M636 HydrophobicContact CD1-SD 3.83Å; F550-M636 HydrophobicContact CE1-CE 4.15Å; F550-M636 HydrophobicContact CE1-SD 4.05Å; F550-V639 HydrophobicContact CE1-CB 4.37Å; F550-V639 HydrophobicContact CE1-CG1 3.71Å; F550-V639 HydrophobicContact CE1-CG2 3.88Å; F550-V639 HydrophobicContact CZ-CG1 3.62Å; F550-V639 HydrophobicContact CZ-CG2 4.46Å; F550-W662 AromaticContact CD1-CD1 3.7Å; F550-W662 AromaticContact CD1-NE1 3.6Å; F550-W662 AromaticContact CD2-CD1 3.81Å; F550-W662 AromaticContact CE1-NE1 3.71Å; F550-W662 AromaticContact CG-CD1 3.54Å; F550-W662 HydrophobicContact CG-CG 4.5Å; F550-W662 AromaticContact CG-NE1 3.95Å
551	N	95.1	Very high	93.4	Very high	40 Å²	40	42 Å²	42	21%	0.214	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-36.9	177.9	-73.1	-33	0	0	0	111.7	V547 N548 R553 L554 E555 L564	V547-N551 PolarHBondContact O-N 3.47Å; V547-N551 PolarHBondContact O-ND2 3.24Å; N548-N551 PolarHBondContact O-N 2.03Å; N551-R553 VanDerWaalsContact C-N 3.33Å; N551-R553 PolarHBondContact O-N 3.11Å; N551-L554 CarbonylContact O-C 3.58Å; N551-L554 PolarHBondContact O-N 3.34Å; N551-E555 PolarHBondContact O-N 3.14Å; N551-L564 PolarHBondContact ND2-O 3.18Å; N551-L564 PolarHBondContact OD1-N 3.46Å
552	K	93.1	Very high	93.8	Very high	126 Å²	126	42 Å²	42	55%	0.548	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-39.3	174	-171.1	59.4	175.1	171.2	0	111.9	N548 A549 F550 L554 E555	N548-K552 WeakPolarHBondContact O-CB 3.07Å; N548-K552 PolarHBondContact O-N 2.84Å; A549-K552 PolarHBondContact O-N 3.27Å; F550-K552 VanDerWaalsContact C-N 3.27Å; F550-K552 PolarHBondContact O-N 2.91Å; K552-L554 VanDerWaalsContact C-N 3.34Å; K552-E555 WeakPolarHBondContact CD-OE2 3.45Å; K552-E555 VanDerWaalsContact CE-OE2 3.31Å; K552-E555 WeakPolarHBondContact CE-OE2 3.01Å; K552-E555 VanDerWaalsContact NZ-CD 3.33Å; K552-E555 IonicContact NZ-OE1 3.16Å; K552-E555 PolarHBondContact NZ-OE1 3.42Å; K552-E555 VanDerWaalsContact NZ-OE1 3.16Å; K552-E555 IonicContact NZ-OE2 2.7Å; K552-E555 PolarHBondContact NZ-OE2 2.97Å; K552-E555 VanDerWaalsContact O-CB 3.25Å; K552-E555 WeakPolarHBondContact O-CB 3.37Å; K552-E555 PolarHBondContact O-N 3.11Å
553	R	90.4	Very high	94	Very high	84 Å²	84	46.2 Å²	46.2	32%	0.317	23%	0.232	S	C	.	.	H	α-helix	trans	-67.4	-35.3	175.2	-170.6	66.6	174.4	89.5	3.9	112.4	A549 F550 N551 E555 M636 S658 L659 W662	A549-R553 PolarHBondContact O-N 3.16Å; F550-R553 WeakPolarHBondContact O-CB 3.46Å; F550-R553 PolarHBondContact O-N 2.86Å; F550-R553 VanDerWaalsContact O-N 3.08Å; N551-R553 VanDerWaalsContact C-N 3.33Å; N551-R553 PolarHBondContact O-N 3.11Å; R553-E555 VanDerWaalsContact C-N 3.34Å; R553-M636 HydrophobicContact CB-CE 4.08Å; R553-M636 HydrophobicContact CG-CE 4.41Å; R553-S658 PolarHBondContact NH2-OG 2.82Å; R553-L659 HydrophobicContact CG-CD2 3.95Å; R553-W662 HydrophobicContact CG-CE3 4.45Å; R553-W662 HydrophobicContact CG-CZ3 4.26Å
554	L	93.1	Very high	94	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-78.9	-12	178	-70.5	172.9	0	0	0	113.9	F550 N551 K552 K556 Q557 S558 C561 L564 L659 W662 C663	F550-L554 WeakPolarHBondContact O-CG 3.04Å; F550-L554 PolarHBondContact O-N 2.04Å; N551-L554 CarbonylContact O-C 3.58Å; N551-L554 PolarHBondContact O-N 3.34Å; K552-L554 VanDerWaalsContact C-N 3.34Å; L554-K556 PolarHBondContact O-N 3.25Å; L554-K556 VanDerWaalsContact O-N 3.11Å; L554-Q557 CarbonylContact O-C 3.3Å; L554-Q557 VanDerWaalsContact O-C 3.3Å; L554-Q557 WeakPolarHBondContact O-CA 3.45Å; L554-Q557 PolarHBondContact O-N 3.06Å; L554-S558 PolarHBondContact O-N 3.22Å; L554-S558 VanDerWaalsContact O-N 3.11Å; L554-C561 HydrophobicContact CD2-CB 4.12Å; L554-L564 HydrophobicContact CD1-CD1 4.27Å; L554-L564 HydrophobicContact CD1-CG 4.29Å; L554-L659 HydrophobicContact CD2-CB 4.38Å; L554-L659 HydrophobicContact CD2-CD2 4.4Å; L554-W662 HydrophobicContact CD1-CB 3.97Å; L554-W662 HydrophobicContact CD2-CB 4.09Å; L554-W662 HydrophobicContact CG-CB 4.13Å; L554-C663 HydrophobicContact CD2-CB 4.06Å
555	E	92.3	Very high	94.1	Very high	103 Å²	103	46.6 Å²	46.6	48%	0.481	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-50.3	-41.9	-172.9	-173.4	178.1	-140.9	0	0	113.2	N551 K552 R553 Q557 S558	N551-E555 PolarHBondContact O-N 3.14Å; K552-E555 WeakPolarHBondContact CD-OE2 3.45Å; K552-E555 VanDerWaalsContact CE-OE2 3.31Å; K552-E555 WeakPolarHBondContact CE-OE2 3.01Å; K552-E555 VanDerWaalsContact NZ-CD 3.33Å; K552-E555 IonicContact NZ-OE1 3.16Å; K552-E555 PolarHBondContact NZ-OE1 3.42Å; K552-E555 VanDerWaalsContact NZ-OE1 3.16Å; K552-E555 IonicContact NZ-OE2 2.7Å; K552-E555 PolarHBondContact NZ-OE2 2.97Å; K552-E555 VanDerWaalsContact O-CB 3.25Å; K552-E555 WeakPolarHBondContact O-CB 3.37Å; K552-E555 PolarHBondContact O-N 3.11Å; R553-E555 VanDerWaalsContact C-N 3.34Å; E555-Q557 PolarHBondContact O-N 3.37Å; E555-S558 WeakPolarHBondContact O-CB 3.32Å; E555-S558 PolarHBondContact O-N 3.45Å; E555-S558 PolarHBondContact O-OG 3.26Å
556	K	88.6	Confident	94.1	Very high	179 Å²	179	46.7 Å²	46.7	78%	0.778	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-61.7	-23.7	177.8	-67.8	-171.1	178.4	-174.1	0	114.2	L554	L554-K556 PolarHBondContact O-N 3.25Å; L554-K556 VanDerWaalsContact O-N 3.11Å
557	Q	92.5	Very high	94.1	Very high	39 Å²	39	52 Å²	52	18%	0.182	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-122.4	27.2	-179.1	-55.6	-58.1	-24.7	0	0	111.3	L554 E555 N559 L560 C561 V652 L659	L554-Q557 CarbonylContact O-C 3.3Å; L554-Q557 VanDerWaalsContact O-C 3.3Å; L554-Q557 WeakPolarHBondContact O-CA 3.45Å; L554-Q557 PolarHBondContact O-N 3.06Å; E555-Q557 PolarHBondContact O-N 3.37Å; Q557-N559 PolarHBondContact O-N 3.37Å; Q557-L560 PolarHBondContact O-N 2.95Å; Q557-C561 PolarHBondContact O-N 3.17Å; Q557-V652 HydrophobicContact CB-CG1 4.35Å; Q557-V652 HydrophobicContact CG-CG1 4.48Å; Q557-L659 HydrophobicContact CB-CD1 4.07Å; Q557-L659 HydrophobicContact CG-CD1 3.45Å; Q557-L659 VanDerWaalsContact CG-CD1 3.45Å
558	S	93.8	Very high	94	Very high	67 Å²	67	53.5 Å²	53.5	47%	0.469	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.5	-178.7	51.5	0	0	0	0	114	L554 E555 Y666	L554-S558 PolarHBondContact O-N 3.22Å; L554-S558 VanDerWaalsContact O-N 3.11Å; E555-S558 WeakPolarHBondContact O-CB 3.32Å; E555-S558 PolarHBondContact O-N 3.45Å; E555-S558 PolarHBondContact O-OG 3.26Å; S558-Y666 WeakPolarHBondContact O-CE2 3.25Å; S558-Y666 PolarHBondContact O-OH 2.85Å; S558-Y666 VanDerWaalsContact O-OH 3.08Å
559	N	95.1	Very high	94.1	Very high	114 Å²	114	52.2 Å²	52.2	61%	0.61	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.6	171.2	63.4	-52.6	0	0	0	113.5	Q557	Q557-N559 PolarHBondContact O-N 3.37Å
560	L	95.7	Very high	94.1	Very high	44 Å²	44	55 Å²	55	23%	0.23	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-41.6	179.2	-61.4	178.9	0	0	0	112	Q557 C651 V652 I655 C665 Y666	Q557-L560 PolarHBondContact O-N 2.95Å; L560-C651 HydrophobicContact CB-CB 4.49Å; L560-V652 HydrophobicContact CB-CG1 4.48Å; L560-V652 HydrophobicContact CD1-CG1 4.27Å; L560-I655 HydrophobicContact CD1-CD1 3.55Å; L560-C665 WeakPolarHBondContact O-CA 3.36Å; L560-Y666 VanDerWaalsContact O-CD2 3.24Å; L560-Y666 WeakPolarHBondContact O-CD2 3.48Å; L560-Y666 PolarHBondContact O-N 2.89Å
561	C	96.8	Very high	94.1	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.02	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-100.9	130	-175.4	-53.7	0	0	0	0	110.7	L554 Q557 V652 C663 V664	L554-C561 HydrophobicContact CD2-CB 4.12Å; Q557-C561 PolarHBondContact O-N 3.17Å; C561-V652 VanDerWaalsContact SG-CG1 3.53Å; C561-C663 HydrophobicContact CB-CB 4Å; C561-C663 WeakPolarHBondContact CB-SG 3.33Å; C561-C663 WeakPolarHBondContact SG-CB 3.4Å; C561-C663 CovalentContact SG-SG 2.04Å; C561-C663 PolarHBondContact SG-SG 3.38Å; C561-V664 WeakPolarHBondContact CA-O 3.23Å
562	A	95.9	Very high	94	Very high	3 Å²	3	54 Å²	54	3%	0.025	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.1	142.7	173	0	0	0	0	0	111.4	P614 V664 Y666 L669	A562-P614 HydrophobicContact CB-CG 3.89Å; A562-V664 PolarHBondContact N-O 3.14Å; A562-Y666 HydrophobicContact CB-CD1 4.13Å; A562-Y666 HydrophobicContact CB-CE1 3.88Å; A562-L669 HydrophobicContact CB-CD1 4.04Å; A562-L669 HydrophobicContact CB-CD2 3.74Å; A562-L669 HydrophobicContact CB-CG 4.37Å
563	P	95.6	Very high	93.8	Very high	87 Å²	87	49.2 Å²	49.2	57%	0.565	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-62.8	139.7	174	27.8	-34.4	0	0	0	110.2	P614	P563-P614 VanDerWaalsContact O-CD 3.31Å; P563-P614 WeakPolarHBondContact O-CD 3.33Å
564	L	95.7	Very high	93.6	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-90.6	141.5	177.2	-56.9	-178.5	0	0	0	110.4	V547 F550 N551 L554 H613 W662 V664	V547-L564 HydrophobicContact CG1-CB 3.99Å; V547-L564 VanDerWaalsContact CG1-O 3.3Å; V547-L564 WeakPolarHBondContact CG1-O 3.22Å; F550-L564 HydrophobicContact CB-CD1 4.24Å; F550-L564 HydrophobicContact CD2-CD1 4.14Å; N551-L564 PolarHBondContact ND2-O 3.18Å; N551-L564 PolarHBondContact OD1-N 3.46Å; L554-L564 HydrophobicContact CD1-CD1 4.27Å; L554-L564 HydrophobicContact CD1-CG 4.29Å; L564-H613 CarbonylContact C-O 3.51Å; L564-H613 VanDerWaalsContact CA-O 3.32Å; L564-H613 WeakPolarHBondContact CA-O 3.46Å; L564-W662 HydrophobicContact CD1-CB 4.44Å; L564-V664 HydrophobicContact CD2-CG2 4.23Å
565	S	95.2	Very high	92.9	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.2	165.1	60.5	0	0	0	0	110.1	H567 T612 H613	S565-H567 PolarHBondContact O-N 3.05Å; S565-T612 CarbonylContact O-C 3.58Å; S565-T612 WeakPolarHBondContact O-CA 3.16Å; S565-T612 WeakPolarHBondContact O-CB 3.12Å; S565-H613 PolarHBondContact N-O 3.2Å; S565-H613 PolarHBondContact O-N 3.15Å; S565-H613 PolarHBondContact OG-O 3.03Å
566	L	94.8	Very high	91.8	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.073	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	119.4	171.7	-179.7	69.1	0	0	0	108.3	W540 E544 V547 V569 I610	W540-L566 HydrophobicContact CD2-CD2 4.49Å; W540-L566 HydrophobicContact CE3-CD2 3.6Å; W540-L566 HydrophobicContact CE3-CG 4.5Å; W540-L566 HydrophobicContact CZ3-CD2 3.86Å; W540-L566 HydrophobicContact CZ3-CG 4.28Å; E544-L566 HydrophobicContact CG-CD2 3.95Å; E544-L566 VanDerWaalsContact OE1-CB 3.31Å; E544-L566 WeakPolarHBondContact OE1-CB 3.1Å; V547-L566 HydrophobicContact CG2-CB 3.97Å; V547-L566 HydrophobicContact CG2-CD1 4.07Å; L566-V569 HydrophobicContact CD2-CG2 4.13Å; L566-I610 HydrophobicContact CD1-CB 3.8Å; L566-I610 HydrophobicContact CD1-CD1 4.14Å; L566-I610 HydrophobicContact CD1-CG2 4.07Å
567	H	94	Very high	90.5	Very high	112 Å²	112	38.1 Å²	38.1	52%	0.519	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-43.4	175.5	172.3	-107.3	0	0	0	111.3	S565 S611 H613	S565-H567 PolarHBondContact O-N 3.05Å; H567-S611 WeakPolarHBondContact CB-O 3.4Å; H567-S611 WeakPolarHBondContact CB-OG 3.48Å; H567-S611 PolarHBondContact N-O 3.38Å; H567-S611 PolarHBondContact ND1-OG 2.83Å; H567-H613 HydrophobicContact CB-CB 4.19Å
568	S	94.7	Very high	88.9	Confident	35 Å²	35	37 Å²	37	25%	0.245	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	154.1	178.1	74.6	0	0	0	0	112.4	I610 S611	S568-I610 WeakPolarHBondContact O-CA 3.3Å; S568-S611 PolarHBondContact N-O 3.24Å; S568-S611 PolarHBondContact N-OG 3.11Å; S568-S611 VanDerWaalsContact N-OG 3.13Å; S568-S611 PolarHBondContact O-N 3.08Å; S568-S611 PolarHBondContact OG-OG 3.4Å
569	V	94.9	Very high	87	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.3	164.6	-174.1	0	0	0	0	108.1	N534 A539 W540 L566 V572 I610	N534-V569 HydrophobicContact CB-CG1 4.12Å; N534-V569 PolarHBondContact ND2-O 3.29Å; A539-V569 HydrophobicContact CB-CG1 4.41Å; W540-V569 HydrophobicContact CD2-CG2 4.14Å; W540-V569 HydrophobicContact CG-CG2 4.25Å; L566-V569 HydrophobicContact CD2-CG2 4.13Å; V569-V572 HydrophobicContact CG1-CG2 3.42Å; V569-V572 VanDerWaalsContact CG1-CG2 3.42Å; V569-I610 HydrophobicContact CG1-CG2 4.44Å; V569-I610 HydrophobicContact CG2-CG2 4.43Å
570	V	95	Very high	84.9	Confident	64 Å²	64	39 Å²	39	39%	0.388	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-46.4	-172.1	-179.6	0	0	0	0	110.9	N534 T609 L618	N534-V570 PolarHBondContact ND2-O 3.07Å; V570-T609 WeakPolarHBondContact CA-O 3.04Å; V570-T609 HydrophobicContact CB-CG2 4.04Å; V570-T609 WeakPolarHBondContact CB-O 3.24Å; V570-T609 HydrophobicContact CG1-CG2 4.38Å; V570-T609 PolarHBondContact N-O 3.42Å; V570-L618 HydrophobicContact CG2-CD2 4.11Å
571	D	94	Very high	83	Confident	16 Å²	16	39.6 Å²	39.6	9%	0.086	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	144	-177.2	-167.8	45.4	0	0	0	110.4	K439 K531 Q573 L608 T609	K439-D571 IonicContact NZ-OD2 3.11Å; K531-D571 WeakPolarHBondContact CE-OD1 3.25Å; K531-D571 IonicContact NZ-OD1 3.46Å; D571-Q573 WeakPolarHBondContact OD2-CG 3.44Å; D571-Q573 PolarHBondContact OD2-NE2 2.81Å; D571-L608 WeakPolarHBondContact O-CA 3.31Å; D571-T609 PolarHBondContact N-O 2.89Å; D571-T609 VanDerWaalsContact N-O 3.15Å; D571-T609 PolarHBondContact O-N 2.74Å
572	V	92.4	Very high	81	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.8	173.7	-173.7	0	0	0	0	108.2	V532 N534 A539 V569 Y606 R607 L608	V532-V572 HydrophobicContact CG2-CB 3.76Å; V532-V572 HydrophobicContact CG2-CG1 3.42Å; V532-V572 VanDerWaalsContact CG2-CG1 3.42Å; V532-V572 WeakPolarHBondContact CG2-O 3.33Å; V532-V572 PolarHBondContact N-O 2.84Å; N534-V572 HydrophobicContact CB-CG2 3.9Å; A539-V572 HydrophobicContact CB-CG2 3.86Å; V569-V572 HydrophobicContact CG1-CG2 3.42Å; V569-V572 VanDerWaalsContact CG1-CG2 3.42Å; V572-Y606 HydrophobicContact CG1-CD1 4.18Å; V572-R607 WeakPolarHBondContact CA-O 3.39Å; V572-L608 HydrophobicContact CG1-CG 4.25Å; V572-L608 HydrophobicContact CG2-CD2 4.26Å; V572-L608 HydrophobicContact CG2-CG 4.26Å
573	Q	90.4	Very high	79.1	Confident	25 Å²	25	47.6 Å²	47.6	12%	0.117	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.9	-179.9	-51.5	-174.8	-11.9	0	0	110.2	W529 K530 D571 Y606 R607	W529-Q573 HydrophobicContact CB-CB 4.17Å; W529-Q573 HydrophobicContact CE3-CB 4.15Å; K530-Q573 CarbonylContact O-C 3.53Å; K530-Q573 WeakPolarHBondContact O-CA 3.42Å; D571-Q573 WeakPolarHBondContact OD2-CG 3.44Å; D571-Q573 PolarHBondContact OD2-NE2 2.81Å; Q573-Y606 CarbonylContact O-C 3.07Å; Q573-Y606 VanDerWaalsContact O-CA 3.24Å; Q573-Y606 WeakPolarHBondContact O-CA 3.24Å; Q573-R607 HydrophobicContact CB-CB 4.41Å; Q573-R607 PolarHBondContact N-O 3.33Å; Q573-R607 PolarHBondContact O-N 2.89Å; Q573-R607 VanDerWaalsContact OE1-CZ 3.25Å; Q573-R607 VanDerWaalsContact OE1-NE 3.1Å
574	L	84.9	Confident	77.3	Confident	39 Å²	39	47.8 Å²	47.8	20%	0.204	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.5	174.1	176	61.8	0	0	0	108.7	K530 V532 Q576 M604 Y606	K530-L574 PolarHBondContact N-O 3.27Å; K530-L574 PolarHBondContact O-N 2.85Å; V532-L574 HydrophobicContact CG1-CB 3.97Å; L574-Q576 PolarHBondContact O-N 2.85Å; L574-M604 HydrophobicContact CD1-CB 4.15Å; L574-M604 HydrophobicContact CD1-CE 3.71Å; L574-M604 HydrophobicContact CD2-CE 3.64Å; L574-M604 HydrophobicContact CG-CE 4.35Å; L574-Y606 HydrophobicContact CB-CD1 4.26Å; L574-Y606 HydrophobicContact CB-CE1 4.15Å; L574-Y606 HydrophobicContact CD1-CD1 4.11Å; L574-Y606 HydrophobicContact CD1-CD2 4.42Å; L574-Y606 HydrophobicContact CD1-CE1 3.82Å; L574-Y606 HydrophobicContact CD1-CE2 4.15Å; L574-Y606 HydrophobicContact CD1-CG 4.41Å; L574-Y606 HydrophobicContact CG-CE1 4.42Å
575	S	79.8	Confident	75.4	Confident	14 Å²	14	49 Å²	49	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	119.4	170.8	-177.9	0	0	0	0	109.4	M528 T605	M528-S575 CarbonylContact O-C 3.57Å; M528-S575 WeakPolarHBondContact O-CA 3.29Å; S575-T605 WeakPolarHBondContact CB-O 3.46Å; S575-T605 PolarHBondContact N-O 2.83Å
576	Q	67.6	Low	73.6	Confident	61 Å²	61	51.8 Å²	51.8	29%	0.285	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.7	176.3	-71	-169.5	-58.8	0	0	110.9	M528 K530 L574	M528-Q576 HydrophobicContact CB-CB 4.34Å; M528-Q576 PolarHBondContact O-N 3.15Å; K530-Q576 VanDerWaalsContact CB-CD 3.45Å; K530-Q576 HydrophobicContact CB-CG 3.51Å; K530-Q576 HydrophobicContact CD-CG 4.47Å; L574-Q576 PolarHBondContact O-N 2.85Å
577	Q	62.4	Low	72	Confident	24 Å²	24	54 Å²	54	11%	0.112	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-77.8	147.5	154.7	-56.7	-56.2	-56	0	0	108.4	A84 S85 Y581 I582	A84-Q577 VanDerWaalsContact CB-CD 3.49Å; A84-Q577 VanDerWaalsContact CB-NE2 3.26Å; A84-Q577 PolarHBondContact O-NE2 3.4Å; S85-Q577 PolarHBondContact O-OE1 2.86Å; Q577-Y581 HydrophobicContact CB-CD1 3.71Å; Q577-Y581 HydrophobicContact CB-CE1 4.39Å; Q577-Y581 HydrophobicContact CB-CG 4.43Å; Q577-Y581 HydrophobicContact CG-CD1 3.96Å; Q577-Y581 HydrophobicContact CG-CE1 4.13Å; Q577-I582 HydrophobicContact CB-CD1 4.41Å; Q577-I582 HydrophobicContact CB-CG1 4.09Å
578	S	57.6	Low	70.2	Confident	15 Å²	15	51.6 Å²	51.6	11%	0.105	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-58.9	147.6	172.4	55.6	0	0	0	0	110.3	S86 E580 Y581 I582	S86-S578 WeakPolarHBondContact O-CB 3.26Å; S86-S578 PolarHBondContact O-N 2.55Å; S86-S578 PolarHBondContact O-OG 3.12Å; S578-E580 PolarHBondContact O-N 2.93Å; S578-Y581 WeakPolarHBondContact O-CB 3.11Å; S578-Y581 PolarHBondContact O-N 3.12Å; S578-Y581 VanDerWaalsContact OG-CB 3.26Å; S578-Y581 WeakPolarHBondContact OG-CB 3.39Å; S578-Y581 PolarHBondContact OG-N 3.22Å; S578-I582 PolarHBondContact O-N 2.93Å
579	N	54.7	Low	68.2	Low	118 Å²	118	52.1 Å²	52.1	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-53.6	-37.3	170.7	-69.5	-10	0	0	0	110.5	Y581 I582 E583	N579-Y581 PolarHBondContact O-N 2.9Å; N579-I582 PolarHBondContact O-N 2.73Å; N579-E583 WeakPolarHBondContact O-CB 3.28Å; N579-E583 WeakPolarHBondContact O-CG 3.43Å; N579-E583 PolarHBondContact O-N 2.79Å
580	E	51.8	Low	65.9	Low	105 Å²	105	61 Å²	61	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-36.1	177.2	-64.4	149.4	179.1	0	0	113.4	S578 F584	S578-E580 PolarHBondContact O-N 2.93Å; E580-F584 VanDerWaalsContact O-CB 3.3Å; E580-F584 WeakPolarHBondContact O-CB 3.43Å; E580-F584 PolarHBondContact O-N 3.17Å
581	Y	55.4	Low	63.8	Low	57 Å²	57	63.9 Å²	63.9	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-69.4	-43.4	172.8	176.5	-92	0	0	0	111.1	Q577 S578 N579 F584 V585 F599	Q577-Y581 HydrophobicContact CB-CD1 3.71Å; Q577-Y581 HydrophobicContact CB-CE1 4.39Å; Q577-Y581 HydrophobicContact CB-CG 4.43Å; Q577-Y581 HydrophobicContact CG-CD1 3.96Å; Q577-Y581 HydrophobicContact CG-CE1 4.13Å; S578-Y581 WeakPolarHBondContact O-CB 3.11Å; S578-Y581 PolarHBondContact O-N 3.12Å; S578-Y581 VanDerWaalsContact OG-CB 3.26Å; S578-Y581 WeakPolarHBondContact OG-CB 3.39Å; S578-Y581 PolarHBondContact OG-N 3.22Å; N579-Y581 PolarHBondContact O-N 2.9Å; Y581-F584 PolarHBondContact O-N 2.84Å; Y581-V585 HydrophobicContact CD1-CG2 4.14Å; Y581-V585 HydrophobicContact CE1-CG2 3.71Å; Y581-V585 HydrophobicContact CE2-CG2 4.1Å; Y581-V585 WeakPolarHBondContact O-CG2 3.29Å; Y581-V585 PolarHBondContact O-N 3.18Å; Y581-F599 HydrophobicContact CE1-CE1 4.08Å; Y581-F599 AromaticContact CE1-CZ 3.8Å; Y581-F599 HydrophobicContact CE1-CZ 3.8Å
582	I	54.4	Low	61.6	Low	49 Å²	49	73.5 Å²	73.5	25%	0.251	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-50.4	176.4	-64.8	171.9	0	0	0	109.6	Q577 S578 N579 F584 V585 E586 F599	Q577-I582 HydrophobicContact CB-CD1 4.41Å; Q577-I582 HydrophobicContact CB-CG1 4.09Å; S578-I582 PolarHBondContact O-N 2.93Å; N579-I582 PolarHBondContact O-N 2.73Å; I582-F584 VanDerWaalsContact C-N 3.33Å; I582-F584 PolarHBondContact O-N 3.23Å; I582-V585 PolarHBondContact O-N 3.41Å; I582-E586 HydrophobicContact CG2-CG 4.28Å; I582-E586 WeakPolarHBondContact O-CB 3.38Å; I582-E586 VanDerWaalsContact O-CG 3.31Å; I582-E586 WeakPolarHBondContact O-CG 3.43Å; I582-E586 PolarHBondContact O-N 3.2Å; I582-F599 HydrophobicContact CG1-CD1 4.22Å; I582-F599 HydrophobicContact CG2-CB 4.38Å
583	E	55.3	Low	59.3	Low	125 Å²	125	76.6 Å²	76.6	58%	0.584	40%	0.395	S	S	*	.	H	α-helix	trans	-58.9	-39.7	175.6	-75	174.3	-171.8	0	0	112.6	N579 S587	N579-E583 WeakPolarHBondContact O-CB 3.28Å; N579-E583 WeakPolarHBondContact O-CG 3.43Å; N579-E583 PolarHBondContact O-N 2.79Å; E583-S587 VanDerWaalsContact O-CB 3.25Å; E583-S587 WeakPolarHBondContact O-CB 3.24Å; E583-S587 PolarHBondContact O-N 2.74Å; E583-S587 PolarHBondContact O-OG 2.78Å
584	F	57.5	Low	56.9	Low	91 Å²	91	83.7 Å²	83.7	40%	0.399	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-45.5	175.2	171.6	-101.6	0	0	0	112.2	K88 E580 Y581 I582 S587 T588	K88-F584 HydrophobicContact CD-CB 4.36Å; K88-F584 HydrophobicContact CG-CB 4.42Å; E580-F584 VanDerWaalsContact O-CB 3.3Å; E580-F584 WeakPolarHBondContact O-CB 3.43Å; E580-F584 PolarHBondContact O-N 3.17Å; Y581-F584 PolarHBondContact O-N 2.84Å; I582-F584 VanDerWaalsContact C-N 3.33Å; I582-F584 PolarHBondContact O-N 3.23Å; F584-S587 WeakPolarHBondContact CA-OG 3.41Å; F584-S587 PolarHBondContact O-N 2.83Å; F584-S587 PolarHBondContact O-OG 3.37Å; F584-T588 HydrophobicContact CD2-CG2 4.14Å; F584-T588 HydrophobicContact CE1-CG2 4.26Å; F584-T588 HydrophobicContact CE2-CG2 3.67Å; F584-T588 HydrophobicContact CZ-CG2 3.74Å; F584-T588 WeakPolarHBondContact O-CB 3.45Å; F584-T588 WeakPolarHBondContact O-CG2 3.37Å; F584-T588 PolarHBondContact O-N 3.49Å; F584-T588 PolarHBondContact O-OG1 3.11Å
585	V	56	Low	54.6	Low	30 Å²	30	89.3 Å²	89.3	18%	0.182	46%	0.455	C	S	.	.	H	α-helix	trans	-67.1	-41.5	177.7	178.5	0	0	0	0	110.7	Y581 I582 T588 A589 F599	Y581-V585 HydrophobicContact CD1-CG2 4.14Å; Y581-V585 HydrophobicContact CE1-CG2 3.71Å; Y581-V585 HydrophobicContact CE2-CG2 4.1Å; Y581-V585 WeakPolarHBondContact O-CG2 3.29Å; Y581-V585 PolarHBondContact O-N 3.18Å; I582-V585 PolarHBondContact O-N 3.41Å; V585-T588 WeakPolarHBondContact CA-OG1 3.34Å; V585-T588 PolarHBondContact O-N 2.95Å; V585-T588 PolarHBondContact O-OG1 3.32Å; V585-A589 WeakPolarHBondContact O-CB 3.49Å; V585-A589 PolarHBondContact O-N 3.44Å; V585-F599 HydrophobicContact CB-CD2 4.08Å; V585-F599 HydrophobicContact CB-CE2 4.15Å; V585-F599 HydrophobicContact CG1-CD2 3.44Å; V585-F599 VanDerWaalsContact CG1-CD2 3.44Å; V585-F599 HydrophobicContact CG1-CE2 3.53Å; V585-F599 HydrophobicContact CG1-CG 4.42Å; V585-F599 HydrophobicContact CG2-CE2 4.3Å
586	E	58.9	Low	52.8	Low	82 Å²	82	94.7 Å²	94.7	38%	0.383	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-41.6	177	-73.3	-179	167.6	0	0	111.7	I582 A589 Y590 F599	I582-E586 HydrophobicContact CG2-CG 4.28Å; I582-E586 WeakPolarHBondContact O-CB 3.38Å; I582-E586 VanDerWaalsContact O-CG 3.31Å; I582-E586 WeakPolarHBondContact O-CG 3.43Å; I582-E586 PolarHBondContact O-N 3.2Å; E586-A589 PolarHBondContact O-N 3.09Å; E586-Y590 VanDerWaalsContact O-CB 3.27Å; E586-Y590 WeakPolarHBondContact O-CB 3.31Å; E586-Y590 PolarHBondContact O-N 2.99Å; E586-F599 HydrophobicContact CG-CB 4.19Å
587	S	60.7	Low	51.7	Low	61 Å²	61	102 Å²	102	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-67.4	-39.4	175.9	60.9	0	0	0	0	113	E583 F584 Y590 V591	E583-S587 VanDerWaalsContact O-CB 3.25Å; E583-S587 WeakPolarHBondContact O-CB 3.24Å; E583-S587 PolarHBondContact O-N 2.74Å; E583-S587 PolarHBondContact O-OG 2.78Å; F584-S587 WeakPolarHBondContact CA-OG 3.41Å; F584-S587 PolarHBondContact O-N 2.83Å; F584-S587 PolarHBondContact O-OG 3.37Å; S587-Y590 PolarHBondContact O-N 3.41Å; S587-V591 WeakPolarHBondContact O-CG2 3.32Å; S587-V591 PolarHBondContact O-N 2.9Å; S587-V591 VanDerWaalsContact O-N 3.16Å
588	T	56.2	Low	51.3	Low	60 Å²	60	106.2 Å²	106.2	37%	0.368	55%	0.545	S	S	.	.	H	α-helix	trans	-72.8	-32.3	175.5	53.7	0	0	0	0	112.9	F584 V585	F584-T588 HydrophobicContact CD2-CG2 4.14Å; F584-T588 HydrophobicContact CE1-CG2 4.26Å; F584-T588 HydrophobicContact CE2-CG2 3.67Å; F584-T588 HydrophobicContact CZ-CG2 3.74Å; F584-T588 WeakPolarHBondContact O-CB 3.45Å; F584-T588 WeakPolarHBondContact O-CG2 3.37Å; F584-T588 PolarHBondContact O-N 3.49Å; F584-T588 PolarHBondContact O-OG1 3.11Å; V585-T588 WeakPolarHBondContact CA-OG1 3.34Å; V585-T588 PolarHBondContact O-N 2.95Å; V585-T588 PolarHBondContact O-OG1 3.32Å
589	A	52.3	Low	51.1	Low	47 Å²	47	108.4 Å²	108.4	39%	0.388	55%	0.553	S	S	.	*	H	α-helix	trans	-69.3	-38.1	171.9	0	0	0	0	0	111.6	V585 E586 V591 R592 G593	V585-A589 WeakPolarHBondContact O-CB 3.49Å; V585-A589 PolarHBondContact O-N 3.44Å; E586-A589 PolarHBondContact O-N 3.09Å; A589-V591 VanDerWaalsContact C-N 3.33Å; A589-V591 PolarHBondContact O-N 3.4Å; A589-R592 PolarHBondContact O-N 3.11Å; A589-G593 PolarHBondContact O-N 2.95Å
590	Y	47.6	Very low	51.2	Low	194 Å²	194	107.6 Å²	107.6	76%	0.761	55%	0.552	S	S	*	*	H	α-helix	trans	-61.8	-39.1	174.5	-171.9	-98.3	0	0	0	111.9	E586 S587 R592 G593	E586-Y590 VanDerWaalsContact O-CB 3.27Å; E586-Y590 WeakPolarHBondContact O-CB 3.31Å; E586-Y590 PolarHBondContact O-N 2.99Å; S587-Y590 PolarHBondContact O-N 3.41Å; Y590-R592 PolarHBondContact O-N 3.25Å; Y590-G593 PolarHBondContact O-N 3.48Å
591	V	50.6	Low	51.8	Low	125 Å²	125	103.7 Å²	103.7	76%	0.758	54%	0.537	S	S	*	.	H	α-helix	trans	-61.4	-24.3	173	174.6	0	0	0	0	112.5	S587 A589	S587-V591 WeakPolarHBondContact O-CG2 3.32Å; S587-V591 PolarHBondContact O-N 2.9Å; S587-V591 VanDerWaalsContact O-N 3.16Å; A589-V591 VanDerWaalsContact C-N 3.33Å; A589-V591 PolarHBondContact O-N 3.4Å
592	R	48.1	Very low	52.5	Low	218 Å²	218	106.6 Å²	106.6	82%	0.823	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	8.4	175.9	-71	-173.3	-177.6	179.7	1.8	114.6	A589 Y590 F594	A589-R592 PolarHBondContact O-N 3.11Å; Y590-R592 PolarHBondContact O-N 3.25Å; R592-F594 VanDerWaalsContact C-N 3.35Å; R592-F594 PolarHBondContact O-N 3.08Å
593	G	42.4	Very low	53.6	Low	68 Å²	68	106.9 Å²	106.9	70%	0.701	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	16.9	165	0	0	0	0	0	116.6	A589 Y590	A589-G593 PolarHBondContact O-N 2.95Å; Y590-G593 PolarHBondContact O-N 3.48Å
594	F	41.4	Very low	54.9	Low	175 Å²	175	103 Å²	103	77%	0.768	53%	0.528	S	S	*	.			trans	-101.4	128.4	174	-102.8	-97.1	0	0	0	111	R592	R592-F594 VanDerWaalsContact C-N 3.35Å; R592-F594 PolarHBondContact O-N 3.08Å
595	L	36.2	Very low	56.2	Low	156 Å²	156	99 Å²	99	82%	0.817	51%	0.511	S	S	*	.			trans	-31	147.5	178.5	-69.1	158.1	0	0	0	115.3	R597	L595-R597 PolarHBondContact O-N 2.93Å
596	S	41.4	Very low	57.7	Low	128 Å²	128	99 Å²	99	90%	0.895	51%	0.508	S	S	*	.			trans	-42.4	76.4	170.4	171.1	0	0	0	0	113.5
597	R	45.5	Very low	59.3	Low	215 Å²	215	96.4 Å²	96.4	81%	0.811	50%	0.495	S	S	*	.			trans	-87.8	109.3	162.8	-76.6	-176.5	158.7	-162.8	-5.7	104.8	L595 F599	L595-R597 PolarHBondContact O-N 2.93Å; R597-F599 PolarHBondContact O-N 3.26Å
598	T	52.8	Low	60.9	Low	112 Å²	112	93.6 Å²	93.6	69%	0.687	48%	0.475	S	S	*	.			trans	-38.6	119.2	159.3	27.9	0	0	0	0	107.6	V600	T598-V600 PolarHBondContact O-N 2.99Å
599	F	53.1	Low	62.8	Low	60 Å²	60	91 Å²	91	26%	0.263	46%	0.459	S	S	.	.			trans	-55.9	112.9	-176.4	170.2	-100.7	0	0	0	109.9	Y581 I582 V585 E586 R597	Y581-F599 HydrophobicContact CE1-CE1 4.08Å; Y581-F599 AromaticContact CE1-CZ 3.8Å; Y581-F599 HydrophobicContact CE1-CZ 3.8Å; I582-F599 HydrophobicContact CG1-CD1 4.22Å; I582-F599 HydrophobicContact CG2-CB 4.38Å; V585-F599 HydrophobicContact CB-CD2 4.08Å; V585-F599 HydrophobicContact CB-CE2 4.15Å; V585-F599 HydrophobicContact CG1-CD2 3.44Å; V585-F599 VanDerWaalsContact CG1-CD2 3.44Å; V585-F599 HydrophobicContact CG1-CE2 3.53Å; V585-F599 HydrophobicContact CG1-CG 4.42Å; V585-F599 HydrophobicContact CG2-CE2 4.3Å; E586-F599 HydrophobicContact CG-CB 4.19Å; R597-F599 PolarHBondContact O-N 3.26Å
600	V	57.5	Low	64.9	Low	102 Å²	102	88.9 Å²	88.9	62%	0.618	44%	0.441	S	S	*	.			trans	-107.2	111.2	170.3	-176.3	0	0	0	0	107.2	T598 R602	T598-V600 PolarHBondContact O-N 2.99Å; V600-R602 PolarHBondContact O-N 3.18Å
601	S	64.8	Low	67.3	Low	23 Å²	23	80 Å²	80	16%	0.161	41%	0.407	C	S	.	.			trans	-60.3	135.2	173.8	179.6	0	0	0	0	110	Y603 T627	S601-Y603 WeakPolarHBondContact CB-O 3.24Å; S601-Y603 PolarHBondContact O-N 2.9Å; S601-Y603 PolarHBondContact OG-N 3.47Å; S601-Y603 PolarHBondContact OG-O 2.81Å; S601-T627 PolarHBondContact O-OG1 2.96Å
602	R	69.9	Low	69.5	Low	117 Å²	117	74.1 Å²	74.1	44%	0.442	37%	0.371	S	S	.	.	S	Bend	trans	-55.6	-37	172.6	175.1	170.7	178.8	179.2	1.6	111.8	V600 D626 T627 T628	V600-R602 PolarHBondContact O-N 3.18Å; R602-D626 IonicContact CZ-OD2 3.6Å; R602-D626 IonicContact NE-OD1 3.77Å; R602-D626 IonicContact NE-OD2 3.12Å; R602-D626 PolarHBondContact NE-OD2 3.2Å; R602-D626 VanDerWaalsContact NE-OD2 3.12Å; R602-D626 IonicContact NH2-OD2 3.17Å; R602-D626 PolarHBondContact NH2-OD2 2.85Å; R602-D626 CarbonylContact O-C 3.48Å; R602-D626 WeakPolarHBondContact O-CA 3.4Å; R602-T627 WeakPolarHBondContact CA-OG1 3.43Å; R602-T627 PolarHBondContact O-N 3.18Å; R602-T627 PolarHBondContact O-OG1 3.45Å; R602-T628 HydrophobicContact CB-CG2 4.31Å; R602-T628 HydrophobicContact CG-CG2 3.8Å; R602-T628 PolarHBondContact NE-OG1 3.39Å; R602-T628 VanDerWaalsContact NE-OG1 3.12Å
603	Y	78.2	Confident	71.7	Confident	56 Å²	56	68.5 Å²	68.5	22%	0.22	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126	179.7	-59.6	-75.2	0	0	0	110	S82 S601 I624 L625 D626	S82-Y603 WeakPolarHBondContact OG-CD2 3.07Å; S82-Y603 WeakPolarHBondContact OG-CE2 3.31Å; S601-Y603 WeakPolarHBondContact CB-O 3.24Å; S601-Y603 PolarHBondContact O-N 2.9Å; S601-Y603 PolarHBondContact OG-N 3.47Å; S601-Y603 PolarHBondContact OG-O 2.81Å; Y603-I624 HydrophobicContact CD1-CG2 3.91Å; Y603-I624 HydrophobicContact CG-CG2 4.43Å; Y603-L625 WeakPolarHBondContact CA-O 3.31Å; Y603-D626 HydrophobicContact CD1-CB 4.11Å; Y603-D626 HydrophobicContact CE1-CB 3.88Å; Y603-D626 VanDerWaalsContact CE1-OD2 3.27Å; Y603-D626 WeakPolarHBondContact CE1-OD2 3.08Å; Y603-D626 PolarHBondContact OH-OD2 2.99Å
604	M	80.9	Confident	74.1	Confident	44 Å²	44	66 Å²	66	22%	0.217	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.4	173.2	-63.6	-178.1	74	0	0	109.4	L574 Y606 I624 L625 T627	L574-M604 HydrophobicContact CD1-CB 4.15Å; L574-M604 HydrophobicContact CD1-CE 3.71Å; L574-M604 HydrophobicContact CD2-CE 3.64Å; L574-M604 HydrophobicContact CG-CE 4.35Å; M604-Y606 HydrophobicContact CB-CD2 4.5Å; M604-Y606 HydrophobicContact CB-CE2 3.86Å; M604-Y606 HydrophobicContact CE-CE2 4.44Å; M604-Y606 VanDerWaalsContact CE-OH 3.26Å; M604-Y606 WeakPolarHBondContact CE-OH 3.43Å; M604-I624 WeakPolarHBondContact O-CA 3.32Å; M604-L625 HydrophobicContact CB-CB 4.34Å; M604-L625 PolarHBondContact N-O 3.16Å; M604-L625 PolarHBondContact O-N 2.7Å; M604-T627 HydrophobicContact CG-CG2 3.77Å; M604-T627 HydrophobicContact SD-CG2 3.64Å
605	T	85.2	Confident	76.5	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.9	178.5	-52.1	0	0	0	0	110	W529 S575 V623 I624	W529-T605 HydrophobicContact CH2-CG2 3.97Å; W529-T605 HydrophobicContact CZ3-CG2 4.35Å; S575-T605 WeakPolarHBondContact CB-O 3.46Å; S575-T605 PolarHBondContact N-O 2.83Å; T605-V623 WeakPolarHBondContact CA-O 3.3Å; T605-I624 HydrophobicContact CG2-CG1 4.15Å
606	Y	88.9	Confident	79.2	Confident	29 Å²	29	56 Å²	56	11%	0.114	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.7	173.7	-66	-93.5	0	0	0	110.2	F538 V572 Q573 L574 M604 T622 V623 L625	F538-Y606 HydrophobicContact CE1-CD1 4.33Å; F538-Y606 HydrophobicContact CE1-CD2 4.12Å; F538-Y606 HydrophobicContact CE1-CE1 4.04Å; F538-Y606 AromaticContact CE1-CE2 3.82Å; F538-Y606 HydrophobicContact CE1-CE2 3.82Å; F538-Y606 HydrophobicContact CE1-CG 4.36Å; F538-Y606 AromaticContact CE1-CZ 3.77Å; F538-Y606 HydrophobicContact CZ-CD2 4.32Å; F538-Y606 AromaticContact CZ-CE2 3.97Å; F538-Y606 HydrophobicContact CZ-CE2 3.97Å; V572-Y606 HydrophobicContact CG1-CD1 4.18Å; Q573-Y606 CarbonylContact O-C 3.07Å; Q573-Y606 VanDerWaalsContact O-CA 3.24Å; Q573-Y606 WeakPolarHBondContact O-CA 3.24Å; L574-Y606 HydrophobicContact CB-CD1 4.26Å; L574-Y606 HydrophobicContact CB-CE1 4.15Å; L574-Y606 HydrophobicContact CD1-CD1 4.11Å; L574-Y606 HydrophobicContact CD1-CD2 4.42Å; L574-Y606 HydrophobicContact CD1-CE1 3.82Å; L574-Y606 HydrophobicContact CD1-CE2 4.15Å; L574-Y606 HydrophobicContact CD1-CG 4.41Å; L574-Y606 HydrophobicContact CG-CE1 4.42Å; M604-Y606 HydrophobicContact CB-CD2 4.5Å; M604-Y606 HydrophobicContact CB-CE2 3.86Å; M604-Y606 HydrophobicContact CE-CE2 4.44Å; M604-Y606 VanDerWaalsContact CE-OH 3.26Å; M604-Y606 WeakPolarHBondContact CE-OH 3.43Å; Y606-T622 CarbonylContact O-C 3.49Å; Y606-T622 WeakPolarHBondContact O-CA 3.02Å; Y606-V623 PolarHBondContact N-O 2.05Å; Y606-V623 PolarHBondContact O-N 3.29Å; Y606-L625 HydrophobicContact CE2-CB 4.32Å; Y606-L625 HydrophobicContact CE2-CD2 4.36Å
607	R	91.4	Very high	81.7	Confident	28 Å²	28	50 Å²	50	11%	0.106	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.8	164.7	176.1	167.7	66.5	176	-5.2	108.3	W529 V572 Q573 E620 T621 T622	W529-R607 HydrophobicContact CD2-CB 4.45Å; W529-R607 HydrophobicContact CE3-CB 3.79Å; W529-R607 HydrophobicContact CH2-CB 3.92Å; W529-R607 HydrophobicContact CZ3-CB 3.5Å; W529-R607 VanDerWaalsContact CZ3-CB 3.5Å; V572-R607 WeakPolarHBondContact CA-O 3.39Å; Q573-R607 HydrophobicContact CB-CB 4.41Å; Q573-R607 PolarHBondContact N-O 3.33Å; Q573-R607 PolarHBondContact O-N 2.89Å; Q573-R607 VanDerWaalsContact OE1-CZ 3.25Å; Q573-R607 VanDerWaalsContact OE1-NE 3.1Å; R607-E620 HydrophobicContact CG-CG 3.95Å; R607-T621 WeakPolarHBondContact CA-O 3.25Å; R607-T622 HydrophobicContact CB-CG2 4.19Å
608	L	94.4	Very high	84.1	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.1	177.8	-70.2	89.4	0	0	0	109.8	V542 I546 D571 V572 I610 E620 T621 V623	V542-L608 HydrophobicContact CB-CD2 3.88Å; V542-L608 HydrophobicContact CG1-CD1 3.71Å; V542-L608 HydrophobicContact CG1-CD2 3.49Å; V542-L608 VanDerWaalsContact CG1-CD2 3.49Å; V542-L608 HydrophobicContact CG1-CG 4.26Å; I546-L608 HydrophobicContact CD1-CB 4.37Å; I546-L608 HydrophobicContact CD1-CD2 4.36Å; D571-L608 WeakPolarHBondContact O-CA 3.31Å; V572-L608 HydrophobicContact CG1-CG 4.25Å; V572-L608 HydrophobicContact CG2-CD2 4.26Å; V572-L608 HydrophobicContact CG2-CG 4.26Å; L608-I610 HydrophobicContact CB-CG2 4.4Å; L608-E620 VanDerWaalsContact O-CA 3.27Å; L608-E620 WeakPolarHBondContact O-CA 3.41Å; L608-T621 PolarHBondContact N-O 3.03Å; L608-T621 PolarHBondContact O-N 2.95Å; L608-V623 HydrophobicContact CD1-CG2 3.69Å
609	T	96.1	Very high	86.2	Confident	6 Å²	6	36.2 Å²	36.2	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.5	161.8	-52.5	0	0	0	0	108.2	V570 D571 Y619 E620 I642	V570-T609 WeakPolarHBondContact CA-O 3.04Å; V570-T609 HydrophobicContact CB-CG2 4.04Å; V570-T609 WeakPolarHBondContact CB-O 3.24Å; V570-T609 HydrophobicContact CG1-CG2 4.38Å; V570-T609 PolarHBondContact N-O 3.42Å; D571-T609 PolarHBondContact N-O 2.89Å; D571-T609 VanDerWaalsContact N-O 3.15Å; D571-T609 PolarHBondContact O-N 2.74Å; T609-Y619 CarbonylContact C-O 3.57Å; T609-Y619 VanDerWaalsContact CA-O 3.24Å; T609-Y619 WeakPolarHBondContact CA-O 3.5Å; T609-E620 PolarHBondContact OG1-OE2 3.35Å; T609-I642 HydrophobicContact CG2-CD1 3.71Å
610	I	97	Very high	88.2	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.4	179.8	63.5	168.8	0	0	0	110.8	I546 V547 F550 L566 S568 V569 L608 L618 Y619	I546-I610 HydrophobicContact CB-CD1 4.11Å; I546-I610 HydrophobicContact CG2-CD1 3.59Å; V547-I610 HydrophobicContact CG2-CD1 3.79Å; F550-I610 HydrophobicContact CE2-CD1 4.15Å; F550-I610 HydrophobicContact CZ-CD1 4.44Å; L566-I610 HydrophobicContact CD1-CB 3.8Å; L566-I610 HydrophobicContact CD1-CD1 4.14Å; L566-I610 HydrophobicContact CD1-CG2 4.07Å; S568-I610 WeakPolarHBondContact O-CA 3.3Å; V569-I610 HydrophobicContact CG1-CG2 4.44Å; V569-I610 HydrophobicContact CG2-CG2 4.43Å; L608-I610 HydrophobicContact CB-CG2 4.4Å; I610-L618 WeakPolarHBondContact O-CA 3.08Å; I610-Y619 HydrophobicContact CG1-CD2 4.44Å; I610-Y619 PolarHBondContact N-O 3.36Å; I610-Y619 PolarHBondContact O-N 3.4Å
611	S	96.8	Very high	89.8	Confident	8 Å²	8	28.7 Å²	28.7	6%	0.056	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.2	168.4	73.6	0	0	0	0	112	H567 S568 A617	H567-S611 WeakPolarHBondContact CB-O 3.4Å; H567-S611 WeakPolarHBondContact CB-OG 3.48Å; H567-S611 PolarHBondContact N-O 3.38Å; H567-S611 PolarHBondContact ND1-OG 2.83Å; S568-S611 PolarHBondContact N-O 3.24Å; S568-S611 PolarHBondContact N-OG 3.11Å; S568-S611 VanDerWaalsContact N-OG 3.13Å; S568-S611 PolarHBondContact O-N 3.08Å; S568-S611 PolarHBondContact OG-OG 3.4Å; S611-A617 CarbonylContact C-O 3.57Å; S611-A617 WeakPolarHBondContact CA-O 3.44Å; S611-A617 WeakPolarHBondContact CB-O 3.47Å
612	T	96.5	Very high	91	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.5	174.9	72	0	0	0	0	112.9	V547 F550 S565 N616 A617 Y619	V547-T612 HydrophobicContact CG2-CG2 3.73Å; F550-T612 HydrophobicContact CE2-CG2 4.48Å; S565-T612 CarbonylContact O-C 3.58Å; S565-T612 WeakPolarHBondContact O-CA 3.16Å; S565-T612 WeakPolarHBondContact O-CB 3.12Å; T612-N616 WeakPolarHBondContact O-CA 3.38Å; T612-N616 PolarHBondContact O-N 2.04Å; T612-A617 PolarHBondContact N-O 3.42Å; T612-A617 VanDerWaalsContact N-O 3.14Å; T612-A617 PolarHBondContact O-N 3.47Å; T612-A617 VanDerWaalsContact OG1-CB 3.27Å; T612-A617 WeakPolarHBondContact OG1-CB 3.04Å; T612-Y619 HydrophobicContact CG2-CD2 3.86Å; T612-Y619 HydrophobicContact CG2-CE2 3.6Å
613	H	94.4	Very high	92	Very high	100 Å²	100	22.1 Å²	22.1	46%	0.463	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.7	166.5	-179.3	85.4	0	0	0	108.9	L564 S565 H567	L564-H613 CarbonylContact C-O 3.51Å; L564-H613 VanDerWaalsContact CA-O 3.32Å; L564-H613 WeakPolarHBondContact CA-O 3.46Å; S565-H613 PolarHBondContact N-O 3.2Å; S565-H613 PolarHBondContact O-N 3.15Å; S565-H613 PolarHBondContact OG-O 3.03Å; H567-H613 HydrophobicContact CB-CB 4.19Å
614	P	94.1	Very high	92.4	Very high	15 Å²	15	19.4 Å²	19.4	10%	0.097	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-68	173.5	-11.1	30.9	-35.6	0	0	0	112.4	A562 P563 V664 L669	A562-P614 HydrophobicContact CB-CG 3.89Å; P563-P614 VanDerWaalsContact O-CD 3.31Å; P563-P614 WeakPolarHBondContact O-CD 3.33Å; P614-V664 HydrophobicContact CB-CG1 4.41Å; P614-V664 HydrophobicContact CG-CB 4.3Å; P614-V664 HydrophobicContact CG-CG1 4.23Å; P614-L669 HydrophobicContact CB-CD2 3.45Å; P614-L669 VanDerWaalsContact CB-CD2 3.45Å; P614-L669 HydrophobicContact CG-CD2 3.33Å
615	G	90.4	Very high	92.6	Very high	15 Å²	15	18.1 Å²	18.1	16%	0.155	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-2.9	168.7	0	0	0	0	0	117	A617 K648	G615-A617 PolarHBondContact O-N 3.16Å; G615-K648 PolarHBondContact O-NZ 3.33Å
616	N	92.9	Very high	92.6	Very high	108 Å²	108	17.8 Å²	17.8	58%	0.578	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	44.6	177	-63.2	-30.8	0	0	0	112.4	T612 N643	T612-N616 WeakPolarHBondContact O-CA 3.38Å; T612-N616 PolarHBondContact O-N 2.04Å; N616-N643 PolarHBondContact O-ND2 2.92Å
617	A	95.4	Very high	92.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.4	-179.7	0	0	0	0	0	111.6	S611 T612 G615 Y619	S611-A617 CarbonylContact C-O 3.57Å; S611-A617 WeakPolarHBondContact CA-O 3.44Å; S611-A617 WeakPolarHBondContact CB-O 3.47Å; T612-A617 PolarHBondContact N-O 3.42Å; T612-A617 VanDerWaalsContact N-O 3.14Å; T612-A617 PolarHBondContact O-N 3.47Å; T612-A617 VanDerWaalsContact OG1-CB 3.27Å; T612-A617 WeakPolarHBondContact OG1-CB 3.04Å; G615-A617 PolarHBondContact O-N 3.16Å; A617-Y619 HydrophobicContact CB-CD2 3.96Å; A617-Y619 HydrophobicContact CB-CE2 3.24Å
618	L	96.2	Very high	91.7	Very high	37 Å²	37	21.6 Å²	21.6	19%	0.194	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.7	166.8	-66.1	175.6	0	0	0	108.9	V570 I610 R641 I642 N643	V570-L618 HydrophobicContact CG2-CD2 4.11Å; I610-L618 WeakPolarHBondContact O-CA 3.08Å; L618-R641 WeakPolarHBondContact O-CD 3.27Å; L618-I642 HydrophobicContact CB-CD1 4.08Å; L618-I642 HydrophobicContact CB-CG1 3.53Å; L618-I642 WeakPolarHBondContact O-CG1 3.24Å; L618-I642 PolarHBondContact O-N 3.38Å; L618-N643 HydrophobicContact CB-CB 4.46Å; L618-N643 HydrophobicContact CD1-CB 4.44Å; L618-N643 PolarHBondContact N-OD1 2.84Å
619	Y	96.1	Very high	91	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.6	175.9	-58	-82.4	0	0	0	110.3	F550 T609 I610 T612 A617 V639 S640 R641 K661 W662	F550-Y619 HydrophobicContact CD2-CD2 4.38Å; F550-Y619 HydrophobicContact CD2-CE2 4.14Å; F550-Y619 HydrophobicContact CE2-CD1 4.04Å; F550-Y619 AromaticContact CE2-CD2 3.49Å; F550-Y619 HydrophobicContact CE2-CD2 3.49Å; F550-Y619 VanDerWaalsContact CE2-CD2 3.49Å; F550-Y619 HydrophobicContact CE2-CE1 4.24Å; F550-Y619 AromaticContact CE2-CE2 3.68Å; F550-Y619 HydrophobicContact CE2-CE2 3.68Å; F550-Y619 AromaticContact CE2-CG 3.65Å; F550-Y619 HydrophobicContact CE2-CG 3.65Å; F550-Y619 HydrophobicContact CZ-CD1 4.14Å; F550-Y619 HydrophobicContact CZ-CD2 4.21Å; F550-Y619 AromaticContact CZ-CG 3.91Å; F550-Y619 HydrophobicContact CZ-CG 3.91Å; T609-Y619 CarbonylContact C-O 3.57Å; T609-Y619 VanDerWaalsContact CA-O 3.24Å; T609-Y619 WeakPolarHBondContact CA-O 3.5Å; I610-Y619 HydrophobicContact CG1-CD2 4.44Å; I610-Y619 PolarHBondContact N-O 3.36Å; I610-Y619 PolarHBondContact O-N 3.4Å; T612-Y619 HydrophobicContact CG2-CD2 3.86Å; T612-Y619 HydrophobicContact CG2-CE2 3.6Å; A617-Y619 HydrophobicContact CB-CD2 3.96Å; A617-Y619 HydrophobicContact CB-CE2 3.24Å; Y619-V639 HydrophobicContact CD1-CG1 4.03Å; Y619-S640 CarbonylContact C-O 3.58Å; Y619-S640 VanDerWaalsContact CA-O 3.25Å; Y619-S640 WeakPolarHBondContact CA-O 3.43Å; Y619-R641 HydrophobicContact CD1-CB 4.43Å; Y619-R641 VanDerWaalsContact CE1-CD 3.46Å; Y619-R641 PolarHBondContact OH-NH1 2.85Å; Y619-K661 HydrophobicContact CE1-CG 4.32Å; Y619-K661 WeakPolarHBondContact CE1-O 3.26Å; Y619-K661 PolarHBondContact OH-O 3.21Å; Y619-W662 AromaticContact CE1-CD1 3.83Å; Y619-W662 WeakPolarHBondContact OH-CA 3.48Å
620	E	94.4	Very high	90.5	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.7	169.8	-170.2	172.3	85.3	0	0	109	R433 K439 R607 L608 T609 S640 I642	R433-E620 IonicContact CZ-OE1 3.47Å; R433-E620 IonicContact NH1-OE1 3.42Å; R433-E620 PolarHBondContact NH1-OE1 2.97Å; R433-E620 IonicContact NH1-OE2 3.81Å; R433-E620 IonicContact NH2-OE1 3.53Å; R433-E620 PolarHBondContact NH2-OE1 2.92Å; K439-E620 WeakPolarHBondContact CE-OE2 3.25Å; K439-E620 IonicContact NZ-OE2 2.89Å; K439-E620 PolarHBondContact NZ-OE2 3.45Å; R607-E620 HydrophobicContact CG-CG 3.95Å; L608-E620 VanDerWaalsContact O-CA 3.27Å; L608-E620 WeakPolarHBondContact O-CA 3.41Å; T609-E620 PolarHBondContact OG1-OE2 3.35Å; E620-S640 PolarHBondContact N-O 3.23Å; E620-S640 PolarHBondContact O-N 3.4Å; E620-I642 HydrophobicContact CB-CG2 3.85Å
621	T	92.7	Very high	90	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.1	177.6	-167.5	0	0	0	0	111.1	I546 R607 L608 V623 V639	I546-T621 HydrophobicContact CD1-CG2 3.62Å; I546-T621 HydrophobicContact CG1-CG2 4.17Å; I546-T621 HydrophobicContact CG2-CG2 4.3Å; R607-T621 WeakPolarHBondContact CA-O 3.25Å; L608-T621 PolarHBondContact N-O 3.03Å; L608-T621 PolarHBondContact O-N 2.95Å; T621-V623 HydrophobicContact CG2-CG1 4.49Å; T621-V639 HydrophobicContact CG2-CG2 4.49Å
622	T	90.1	Very high	89.7	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.7	169.4	55.3	0	0	0	0	111.1	Q522 W529 Y606 R607	Q522-T622 HydrophobicContact CB-CG2 3.82Å; Q522-T622 HydrophobicContact CG-CG2 3.99Å; W529-T622 HydrophobicContact CH2-CG2 3.82Å; W529-T622 HydrophobicContact CZ2-CG2 4.41Å; Y606-T622 CarbonylContact O-C 3.49Å; Y606-T622 WeakPolarHBondContact O-CA 3.02Å; R607-T622 HydrophobicContact CB-CG2 4.19Å
623	V	90.2	Very high	89.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.2	172.3	-58.6	0	0	0	0	109.3	V542 I546 T605 Y606 L608 T621 L632 Q633 I634	V542-V623 HydrophobicContact CG1-CG1 4.22Å; V542-V623 HydrophobicContact CG1-CG2 3.88Å; I546-V623 HydrophobicContact CD1-CG1 4.14Å; I546-V623 HydrophobicContact CG1-CG1 4.34Å; T605-V623 WeakPolarHBondContact CA-O 3.3Å; Y606-V623 PolarHBondContact N-O 2.05Å; Y606-V623 PolarHBondContact O-N 3.29Å; L608-V623 HydrophobicContact CD1-CG2 3.69Å; T621-V623 HydrophobicContact CG2-CG1 4.49Å; V623-L632 HydrophobicContact CB-CD1 4Å; V623-L632 HydrophobicContact CG2-CD1 3.82Å; V623-Q633 WeakPolarHBondContact CA-O 3.07Å; V623-I634 HydrophobicContact CG1-CG1 3.95Å
624	I	86.8	Confident	89.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.6	174.8	-61.9	-167.3	0	0	0	109.5	F80 Y603 M604 T605 Q633	F80-I624 HydrophobicContact CB-CD1 3.57Å; F80-I624 HydrophobicContact CD1-CB 3.69Å; F80-I624 HydrophobicContact CD1-CD1 3.21Å; F80-I624 HydrophobicContact CD1-CG1 3.45Å; F80-I624 VanDerWaalsContact CD1-CG1 3.45Å; F80-I624 HydrophobicContact CD2-CD1 3.73Å; F80-I624 HydrophobicContact CD2-CG1 4.2Å; F80-I624 HydrophobicContact CE1-CB 3.49Å; F80-I624 VanDerWaalsContact CE1-CB 3.49Å; F80-I624 HydrophobicContact CE1-CD1 3.71Å; F80-I624 HydrophobicContact CE1-CG1 3.36Å; F80-I624 HydrophobicContact CE2-CD1 4.18Å; F80-I624 HydrophobicContact CE2-CG1 4.13Å; F80-I624 HydrophobicContact CG-CD1 3.21Å; F80-I624 HydrophobicContact CG-CG1 3.88Å; F80-I624 HydrophobicContact CZ-CB 4.25Å; F80-I624 HydrophobicContact CZ-CD1 4.17Å; F80-I624 HydrophobicContact CZ-CG1 3.72Å; Y603-I624 HydrophobicContact CD1-CG2 3.91Å; Y603-I624 HydrophobicContact CG-CG2 4.43Å; M604-I624 WeakPolarHBondContact O-CA 3.32Å; T605-I624 HydrophobicContact CG2-CG1 4.15Å; I624-Q633 PolarHBondContact N-O 3.23Å; I624-Q633 VanDerWaalsContact N-O 3.14Å; I624-Q633 PolarHBondContact O-N 3.31Å
625	L	85.8	Confident	88.9	Confident	16 Å²	16	26.9 Å²	26.9	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.4	169.9	175.3	64.3	0	0	0	108.7	P68 F538 Y603 M604 Y606 T627 L631	P68-L625 HydrophobicContact CB-CD1 3.66Å; P68-L625 HydrophobicContact CG-CD1 3.93Å; F538-L625 HydrophobicContact CE2-CD2 4.35Å; F538-L625 HydrophobicContact CZ-CD2 4.23Å; Y603-L625 WeakPolarHBondContact CA-O 3.31Å; M604-L625 HydrophobicContact CB-CB 4.34Å; M604-L625 PolarHBondContact N-O 3.16Å; M604-L625 PolarHBondContact O-N 2.7Å; Y606-L625 HydrophobicContact CE2-CB 4.32Å; Y606-L625 HydrophobicContact CE2-CD2 4.36Å; L625-T627 HydrophobicContact CD2-CG2 4.18Å; L625-T627 HydrophobicContact CG-CG2 4.19Å; L625-T627 PolarHBondContact O-N 2.96Å; L625-L631 WeakPolarHBondContact CA-O 3.36Å
626	D	83.8	Confident	88.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	107.1	160.5	-172.3	-38.5	0	0	0	107.7	R602 Y603 T628 M629 N630 L631	R602-D626 IonicContact CZ-OD2 3.6Å; R602-D626 IonicContact NE-OD1 3.77Å; R602-D626 IonicContact NE-OD2 3.12Å; R602-D626 PolarHBondContact NE-OD2 3.2Å; R602-D626 VanDerWaalsContact NE-OD2 3.12Å; R602-D626 IonicContact NH2-OD2 3.17Å; R602-D626 PolarHBondContact NH2-OD2 2.85Å; R602-D626 CarbonylContact O-C 3.48Å; R602-D626 WeakPolarHBondContact O-CA 3.4Å; Y603-D626 HydrophobicContact CD1-CB 4.11Å; Y603-D626 HydrophobicContact CE1-CB 3.88Å; Y603-D626 VanDerWaalsContact CE1-OD2 3.27Å; Y603-D626 WeakPolarHBondContact CE1-OD2 3.08Å; Y603-D626 PolarHBondContact OH-OD2 2.99Å; D626-T628 PolarHBondContact O-N 2.83Å; D626-T628 WeakPolarHBondContact OD1-CA 3.43Å; D626-T628 WeakPolarHBondContact OD1-CB 3.43Å; D626-T628 PolarHBondContact OD1-N 3.23Å; D626-T628 PolarHBondContact OD1-OG1 2.93Å; D626-M629 HydrophobicContact CB-CB 4.24Å; D626-M629 HydrophobicContact CB-CE 4.05Å; D626-M629 PolarHBondContact OD1-N 2.68Å; D626-M629 VanDerWaalsContact OD2-CE 3.29Å; D626-M629 WeakPolarHBondContact OD2-CE 3.47Å; D626-N630 VanDerWaalsContact O-CA 3.24Å; D626-N630 WeakPolarHBondContact O-CA 3.33Å; D626-N630 PolarHBondContact O-N 3.42Å; D626-L631 HydrophobicContact CB-CB 4.48Å; D626-L631 PolarHBondContact N-O 3.15Å; D626-L631 PolarHBondContact O-N 3.4Å; D626-L631 VanDerWaalsContact O-N 3.15Å
627	T	81	Confident	88.2	Confident	47 Å²	47	25.2 Å²	25.2	29%	0.288	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.5	-178.7	59.3	0	0	0	0	112.9	S601 R602 M604 L625	S601-T627 PolarHBondContact O-OG1 2.96Å; R602-T627 WeakPolarHBondContact CA-OG1 3.43Å; R602-T627 PolarHBondContact O-N 3.18Å; R602-T627 PolarHBondContact O-OG1 3.45Å; M604-T627 HydrophobicContact CG-CG2 3.77Å; M604-T627 HydrophobicContact SD-CG2 3.64Å; L625-T627 HydrophobicContact CD2-CG2 4.18Å; L625-T627 HydrophobicContact CG-CG2 4.19Å; L625-T627 PolarHBondContact O-N 2.96Å
628	T	79.7	Confident	87.6	Confident	91 Å²	91	25.6 Å²	25.6	56%	0.558	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-37.6	176.9	63	0	0	0	0	112.1	R602 D626	R602-T628 HydrophobicContact CB-CG2 4.31Å; R602-T628 HydrophobicContact CG-CG2 3.8Å; R602-T628 PolarHBondContact NE-OG1 3.39Å; R602-T628 VanDerWaalsContact NE-OG1 3.12Å; D626-T628 PolarHBondContact O-N 2.83Å; D626-T628 WeakPolarHBondContact OD1-CA 3.43Å; D626-T628 WeakPolarHBondContact OD1-CB 3.43Å; D626-T628 PolarHBondContact OD1-N 3.23Å; D626-T628 PolarHBondContact OD1-OG1 2.93Å
629	M	81.4	Confident	87.4	Confident	103 Å²	103	23.9 Å²	23.9	51%	0.507	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.2	177.2	-58.5	-165.6	-60.3	0	0	113.1	D626 L631	D626-M629 HydrophobicContact CB-CB 4.24Å; D626-M629 HydrophobicContact CB-CE 4.05Å; D626-M629 PolarHBondContact OD1-N 2.68Å; D626-M629 VanDerWaalsContact OD2-CE 3.29Å; D626-M629 WeakPolarHBondContact OD2-CE 3.47Å; M629-L631 VanDerWaalsContact C-N 3.25Å; M629-L631 HydrophobicContact CB-CB 4.05Å; M629-L631 HydrophobicContact CE-CB 4.5Å; M629-L631 HydrophobicContact CE-CD2 3.9Å; M629-L631 PolarHBondContact O-N 2.99Å
630	N	84.7	Confident	87.2	Confident	56 Å²	56	23.9 Å²	23.9	30%	0.299	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	48	-168.9	-165.2	37.5	0	0	0	111.6	K65 L67 P68 E69 D626	K65-N630 PolarHBondContact O-ND2 3.36Å; L67-N630 PolarHBondContact O-ND2 3.26Å; P68-N630 CarbonylContact C-O 3.51Å; P68-N630 WeakPolarHBondContact CA-O 3.2Å; P68-N630 WeakPolarHBondContact CA-OD1 3.49Å; P68-N630 WeakPolarHBondContact CB-O 3.43Å; E69-N630 PolarHBondContact N-O 2.95Å; D626-N630 VanDerWaalsContact O-CA 3.24Å; D626-N630 WeakPolarHBondContact O-CA 3.33Å; D626-N630 PolarHBondContact O-N 3.42Å
631	L	87.2	Confident	87.1	Confident	30 Å²	30	24.2 Å²	24.2	16%	0.157	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.9	-175.3	-175.1	68.7	0	0	0	110.3	E69 D71 L625 D626 M629 Q633	E69-L631 HydrophobicContact CB-CD1 3.95Å; D71-L631 HydrophobicContact CB-CD1 3.99Å; D71-L631 HydrophobicContact CB-CD2 4.25Å; D71-L631 HydrophobicContact CB-CG 4.25Å; L625-L631 WeakPolarHBondContact CA-O 3.36Å; D626-L631 HydrophobicContact CB-CB 4.48Å; D626-L631 PolarHBondContact N-O 3.15Å; D626-L631 PolarHBondContact O-N 3.4Å; D626-L631 VanDerWaalsContact O-N 3.15Å; M629-L631 VanDerWaalsContact C-N 3.25Å; M629-L631 HydrophobicContact CB-CB 4.05Å; M629-L631 HydrophobicContact CE-CB 4.5Å; M629-L631 HydrophobicContact CE-CD2 3.9Å; M629-L631 PolarHBondContact O-N 2.99Å; L631-Q633 HydrophobicContact CD2-CG 4.37Å; L631-Q633 HydrophobicContact CG-CG 4.47Å
632	L	89.9	Confident	87.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.8	175.5	-176.4	76.5	0	0	0	109.6	P68 E69 V70 D71 V542 V623 I634	P68-L632 HydrophobicContact CB-CB 3.98Å; P68-L632 HydrophobicContact CG-CB 3.71Å; E69-L632 WeakPolarHBondContact O-CB 3.34Å; E69-L632 PolarHBondContact O-N 2.96Å; V70-L632 WeakPolarHBondContact CA-O 3.48Å; V70-L632 HydrophobicContact CG2-CD2 4.47Å; D71-L632 PolarHBondContact N-O 2.92Å; V542-L632 HydrophobicContact CB-CD2 4.39Å; V542-L632 HydrophobicContact CG1-CD2 4.23Å; V542-L632 HydrophobicContact CG2-CD1 4.15Å; V542-L632 HydrophobicContact CG2-CD2 3.86Å; V623-L632 HydrophobicContact CB-CD1 4Å; V623-L632 HydrophobicContact CG2-CD1 3.82Å; L632-I634 HydrophobicContact CD2-CD1 4.25Å; L632-I634 HydrophobicContact CD2-CG1 4.33Å; L632-I634 HydrophobicContact CG-CG1 4.4Å
633	Q	89.4	Confident	87.1	Confident	40 Å²	40	26.1 Å²	26.1	19%	0.187	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.6	177.3	-68.2	-179.9	-19.4	0	0	110.4	D71 F80 V623 I624 L631	D71-Q633 HydrophobicContact CB-CG 4.36Å; D71-Q633 WeakPolarHBondContact O-CA 3.24Å; F80-Q633 HydrophobicContact CD1-CB 4.38Å; F80-Q633 HydrophobicContact CE1-CB 3.76Å; V623-Q633 WeakPolarHBondContact CA-O 3.07Å; I624-Q633 PolarHBondContact N-O 3.23Å; I624-Q633 VanDerWaalsContact N-O 3.14Å; I624-Q633 PolarHBondContact O-N 3.31Å; L631-Q633 HydrophobicContact CD2-CG 4.37Å; L631-Q633 HydrophobicContact CG-CG 4.47Å
634	I	90.9	Very high	87.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.6	175.8	-56.5	177.4	0	0	0	107.8	V70 D71 V72 V73 Q545 I546 V623 L632	V70-I634 HydrophobicContact CG1-CD1 3.8Å; V70-I634 HydrophobicContact CG1-CG1 4.33Å; D71-I634 PolarHBondContact O-N 2.99Å; V72-I634 CarbonylContact C-O 3.54Å; V72-I634 WeakPolarHBondContact CA-O 3.48Å; V73-I634 PolarHBondContact N-O 3.22Å; Q545-I634 HydrophobicContact CB-CD1 3.78Å; I546-I634 HydrophobicContact CG1-CD1 4.04Å; I546-I634 HydrophobicContact CG1-CG2 4.39Å; V623-I634 HydrophobicContact CG1-CG1 3.95Å; L632-I634 HydrophobicContact CD2-CD1 4.25Å; L632-I634 HydrophobicContact CD2-CG1 4.33Å; L632-I634 HydrophobicContact CG-CG1 4.4Å
635	D	87.7	Confident	87.1	Confident	14 Å²	14	31.2 Å²	31.2	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.5	171.2	179.5	0.8	0	0	0	109.5	V73 F80 N637 V638	V73-D635 HydrophobicContact CB-CB 4.49Å; F80-D635 HydrophobicContact CE2-CB 4.38Å; F80-D635 HydrophobicContact CZ-CB 4.28Å; D635-N637 VanDerWaalsContact C-N 3.27Å; D635-N637 PolarHBondContact O-N 3.34Å; D635-N637 VanDerWaalsContact OD1-CB 3.3Å; D635-N637 WeakPolarHBondContact OD1-CB 3.26Å; D635-N637 PolarHBondContact OD1-N 3.34Å; D635-N637 PolarHBondContact OD1-ND2 3.32Å; D635-V638 HydrophobicContact CB-CG2 3.84Å; D635-V638 WeakPolarHBondContact O-CG2 3.41Å
636	M	87.4	Confident	87.2	Confident	7 Å²	7	33.4 Å²	33.4	3%	0.034	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-73.1	-19.9	-179.7	-78	-62.7	-65.2	0	0	113.3	V72 V73 A549 F550 R553 V639 W662	V72-M636 HydrophobicContact CG1-CG 3.86Å; V73-M636 PolarHBondContact O-N 2.83Å; A549-M636 HydrophobicContact CB-CG 4.32Å; A549-M636 HydrophobicContact CB-SD 3.59Å; A549-M636 VanDerWaalsContact CB-SD 3.59Å; F550-M636 HydrophobicContact CD1-CE 3.61Å; F550-M636 HydrophobicContact CD1-SD 3.83Å; F550-M636 HydrophobicContact CE1-CE 4.15Å; F550-M636 HydrophobicContact CE1-SD 4.05Å; R553-M636 HydrophobicContact CB-CE 4.08Å; R553-M636 HydrophobicContact CG-CE 4.41Å; M636-V639 HydrophobicContact SD-CG2 4.22Å; M636-W662 HydrophobicContact CE-CZ2 3.84Å
637	N	81.7	Confident	87.6	Confident	81 Å²	81	37 Å²	37	43%	0.433	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-77.2	-22.7	-178.5	-58.5	-57	0	0	0	112.9	D635	D635-N637 VanDerWaalsContact C-N 3.27Å; D635-N637 PolarHBondContact O-N 3.34Å; D635-N637 VanDerWaalsContact OD1-CB 3.3Å; D635-N637 WeakPolarHBondContact OD1-CB 3.26Å; D635-N637 PolarHBondContact OD1-N 3.34Å; D635-N637 PolarHBondContact OD1-ND2 3.32Å
638	V	83.7	Confident	88.2	Confident	9 Å²	9	37.4 Å²	37.4	6%	0.055	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-93.2	0.8	179.1	-58.1	0	0	0	0	112.2	Q522 D635 S640	Q522-V638 PolarHBondContact NE2-O 3.04Å; Q522-V638 VanDerWaalsContact OE1-CB 3.22Å; Q522-V638 PolarHBondContact OE1-O 2.86Å; D635-V638 HydrophobicContact CB-CG2 3.84Å; D635-V638 WeakPolarHBondContact O-CG2 3.41Å; V638-S640 PolarHBondContact O-N 2.82Å
639	V	91.2	Very high	88.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.			trans	-71.6	121.3	177.4	178.4	0	0	0	0	109.5	F550 Y619 T621 M636 K661	F550-V639 HydrophobicContact CE1-CB 4.37Å; F550-V639 HydrophobicContact CE1-CG1 3.71Å; F550-V639 HydrophobicContact CE1-CG2 3.88Å; F550-V639 HydrophobicContact CZ-CG1 3.62Å; F550-V639 HydrophobicContact CZ-CG2 4.46Å; Y619-V639 HydrophobicContact CD1-CG1 4.03Å; T621-V639 HydrophobicContact CG2-CG2 4.49Å; M636-V639 HydrophobicContact SD-CG2 4.22Å; V639-K661 WeakPolarHBondContact O-CD 3.27Å; V639-K661 WeakPolarHBondContact O-CE 3.35Å; V639-K661 PolarHBondContact O-NZ 3.1Å
640	S	91.9	Very high	89.5	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	145.8	175.5	-64.9	0	0	0	0	111.1	W523 Y619 E620 V638	W523-S640 WeakPolarHBondContact CH2-OG 3.46Å; Y619-S640 CarbonylContact C-O 3.58Å; Y619-S640 VanDerWaalsContact CA-O 3.25Å; Y619-S640 WeakPolarHBondContact CA-O 3.43Å; E620-S640 PolarHBondContact N-O 3.23Å; E620-S640 PolarHBondContact O-N 3.4Å; V638-S640 PolarHBondContact O-N 2.82Å
641	R	92.6	Very high	89.9	Confident	10 Å²	10	30.5 Å²	30.5	4%	0.038	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122	166.4	-176.2	92.4	173.1	-134.1	-8.9	109.2	L618 Y619 N643 Y645 K661	L618-R641 WeakPolarHBondContact O-CD 3.27Å; Y619-R641 HydrophobicContact CD1-CB 4.43Å; Y619-R641 VanDerWaalsContact CE1-CD 3.46Å; Y619-R641 PolarHBondContact OH-NH1 2.85Å; R641-N643 WeakPolarHBondContact CG-O 3.47Å; R641-N643 PolarHBondContact NE-OD1 3.34Å; R641-N643 PolarHBondContact NH2-OD1 3.08Å; R641-Y645 HydrophobicContact CB-CD1 4.26Å; R641-Y645 HydrophobicContact CB-CE1 3.23Å; R641-Y645 WeakPolarHBondContact CB-OH 3.44Å; R641-Y645 HydrophobicContact CG-CD1 3.74Å; R641-Y645 HydrophobicContact CG-CE1 3.19Å; R641-K661 HydrophobicContact CB-CG 4.19Å; R641-K661 PolarHBondContact NH1-O 3Å
642	I	91.6	Very high	90.2	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.036	18%	0.176	C	C	.	.			trans	-103.1	11	-173.4	65.5	168.6	0	0	0	113.6	F429 T609 L618 E620	F429-I642 WeakPolarHBondContact CA-O 3.34Å; T609-I642 HydrophobicContact CG2-CD1 3.71Å; L618-I642 HydrophobicContact CB-CD1 4.08Å; L618-I642 HydrophobicContact CB-CG1 3.53Å; L618-I642 WeakPolarHBondContact O-CG1 3.24Å; L618-I642 PolarHBondContact O-N 3.38Å; E620-I642 HydrophobicContact CB-CG2 3.85Å
643	N	91.5	Very high	90.1	Very high	36 Å²	36	31.9 Å²	31.9	19%	0.193	19%	0.19	C	C	.	.	S	Bend	trans	-139.1	153.4	167.2	70	-19.4	0	0	0	110.6	N616 L618 R641	N616-N643 PolarHBondContact O-ND2 2.92Å; L618-N643 HydrophobicContact CB-CB 4.46Å; L618-N643 HydrophobicContact CD1-CB 4.44Å; L618-N643 PolarHBondContact N-OD1 2.84Å; R641-N643 WeakPolarHBondContact CG-O 3.47Å; R641-N643 PolarHBondContact NE-OD1 3.34Å; R641-N643 PolarHBondContact NH2-OD1 3.08Å
644	A	88.3	Confident	89.8	Confident	56 Å²	56	37.8 Å²	37.8	46%	0.463	22%	0.223	S	C	.	.			trans	-59.4	139	-174.8	0	0	0	0	0	113	F429 G646	F429-A644 HydrophobicContact CD2-CB 4.04Å; F429-A644 HydrophobicContact CE2-CB 4.37Å; A644-G646 VanDerWaalsContact C-N 3.34Å
645	Y	88.7	Confident	89.5	Confident	51 Å²	51	41.7 Å²	41.7	20%	0.2	24%	0.243	C	C	.	.			trans	-69.4	-34.8	172.4	-43	-63.3	0	0	0	111.8	R641 K648 K661	R641-Y645 HydrophobicContact CB-CD1 4.26Å; R641-Y645 HydrophobicContact CB-CE1 3.23Å; R641-Y645 WeakPolarHBondContact CB-OH 3.44Å; R641-Y645 HydrophobicContact CG-CD1 3.74Å; R641-Y645 HydrophobicContact CG-CE1 3.19Å; Y645-K648 WeakPolarHBondContact O-CB 3.14Å; Y645-K648 WeakPolarHBondContact O-CG 3.4Å; Y645-K648 PolarHBondContact O-N 2.95Å; Y645-K661 VanDerWaalsContact CE1-CA 3.41Å; Y645-K661 HydrophobicContact CE1-CB 4.15Å; Y645-K661 HydrophobicContact CE1-CG 4.08Å
646	G	87.7	Confident	89.4	Confident	63 Å²	63	42.3 Å²	42.3	65%	0.649	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	-143.1	-171.1	0	0	0	0	0	111.5	A644 K648	A644-G646 VanDerWaalsContact C-N 3.34Å; G646-K648 VanDerWaalsContact C-N 3.3Å; G646-K648 PolarHBondContact O-N 3.38Å
647	S	90.7	Very high	89.3	Confident	74 Å²	74	42.3 Å²	42.3	52%	0.517	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.5	178	58.1	0	0	0	0	114.5	H650	S647-H650 PolarHBondContact O-N 3.28Å; S647-H650 PolarHBondContact O-ND1 3.29Å
648	K	94.6	Very high	89.4	Confident	56 Å²	56	39.5 Å²	39.5	24%	0.243	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-37.4	-176.2	-68.5	172.9	-176.9	152.9	0	114.3	G615 Y645 G646 C665	G615-K648 PolarHBondContact O-NZ 3.33Å; Y645-K648 WeakPolarHBondContact O-CB 3.14Å; Y645-K648 WeakPolarHBondContact O-CG 3.4Å; Y645-K648 PolarHBondContact O-N 2.95Å; G646-K648 VanDerWaalsContact C-N 3.3Å; G646-K648 PolarHBondContact O-N 3.38Å; K648-C665 WeakPolarHBondContact O-CB 3.08Å; K648-C665 PolarHBondContact O-N 3.47Å; K648-C665 PolarHBondContact O-SG 3.48Å
649	P	94.9	Very high	89.7	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.013	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	17.2	179.8	36.4	-35.7	0	0	0	114.6	C651 V652 L653 A660 C663 C665	P649-C651 PolarHBondContact O-N 3.24Å; P649-C651 VanDerWaalsContact O-N 3.1Å; P649-V652 HydrophobicContact CB-CG2 4.05Å; P649-V652 WeakPolarHBondContact O-CG2 3.13Å; P649-V652 PolarHBondContact O-N 2.98Å; P649-L653 HydrophobicContact CG-CD2 4.46Å; P649-A660 HydrophobicContact CB-CB 3.88Å; P649-A660 HydrophobicContact CG-CB 3.85Å; P649-C663 HydrophobicContact CB-CB 4.1Å; P649-C665 VanDerWaalsContact C-SG 3.51Å
650	H	92.9	Very high	89.7	Confident	74 Å²	74	39.4 Å²	39.4	34%	0.343	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56.3	-33.1	-170.5	74	-72.8	0	0	0	114.5	S647 V652 L653 D667 K668	S647-H650 PolarHBondContact O-N 3.28Å; S647-H650 PolarHBondContact O-ND1 3.29Å; H650-V652 PolarHBondContact O-N 3.4Å; H650-L653 HydrophobicContact CB-CD1 4.47Å; H650-L653 PolarHBondContact O-N 3.38Å; H650-D667 VanDerWaalsContact CE1-CG 3.43Å; H650-D667 IonicContact CE1-OD1 3.16Å; H650-D667 PolarHBondContact CE1-OD1 3.27Å; H650-D667 IonicContact CE1-OD2 2.98Å; H650-D667 PolarHBondContact CE1-OD2 2.86Å; H650-D667 IonicContact NE2-OD1 3.8Å; H650-D667 IonicContact NE2-OD2 3.4Å; H650-D667 PolarHBondContact NE2-OD2 3.43Å; H650-K668 WeakPolarHBondContact ND1-CE 3.36Å
651	C	94.3	Very high	89.7	Confident	30 Å²	30	40.9 Å²	40.9	20%	0.203	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63.4	-20.5	178.6	60.8	0	0	0	0	114.6	L560 P649 C665	L560-C651 HydrophobicContact CB-CB 4.49Å; P649-C651 PolarHBondContact O-N 3.24Å; P649-C651 VanDerWaalsContact O-N 3.1Å; C651-C665 HydrophobicContact CB-CB 3.87Å; C651-C665 WeakPolarHBondContact CB-SG 3.33Å; C651-C665 PolarHBondContact N-SG 3.42Å; C651-C665 WeakPolarHBondContact SG-CB 3.38Å; C651-C665 CovalentContact SG-SG 2.03Å; C651-C665 PolarHBondContact SG-SG 2.94Å
652	V	92.4	Very high	89.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-106.2	-7.7	179	-64.6	0	0	0	0	113.6	Q557 L560 C561 P649 H650 D654 I655 D656 S657 L659 C663	Q557-V652 HydrophobicContact CB-CG1 4.35Å; Q557-V652 HydrophobicContact CG-CG1 4.48Å; L560-V652 HydrophobicContact CB-CG1 4.48Å; L560-V652 HydrophobicContact CD1-CG1 4.27Å; C561-V652 VanDerWaalsContact SG-CG1 3.53Å; P649-V652 HydrophobicContact CB-CG2 4.05Å; P649-V652 WeakPolarHBondContact O-CG2 3.13Å; P649-V652 PolarHBondContact O-N 2.98Å; H650-V652 PolarHBondContact O-N 3.4Å; V652-D654 VanDerWaalsContact C-N 3.3Å; V652-D654 PolarHBondContact O-N 3.24Å; V652-I655 PolarHBondContact O-N 2.9Å; V652-I655 VanDerWaalsContact O-N 3.09Å; V652-D656 CarbonylContact O-C 3.49Å; V652-D656 PolarHBondContact O-N 3.41Å; V652-S657 PolarHBondContact O-N 3.5Å; V652-L659 HydrophobicContact CG2-CB 4.18Å; V652-C663 HydrophobicContact CG1-CB 4.41Å; V652-C663 HydrophobicContact CG2-CB 3.75Å
653	L	87.6	Confident	90	Very high	59 Å²	59	41 Å²	41	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-37.2	-172.1	-67.1	179.9	0	0	0	113.3	P649 H650 A660	P649-L653 HydrophobicContact CG-CD2 4.46Å; H650-L653 HydrophobicContact CB-CD1 4.47Å; H650-L653 PolarHBondContact O-N 3.38Å; L653-A660 HydrophobicContact CD2-CB 3.73Å
654	D	83.4	Confident	90.3	Very high	163 Å²	163	39.4 Å²	39.4	87%	0.872	23%	0.232	S	C	*	.	H	α-helix	trans	-88.2	-9.1	179.2	-63.3	-37.7	0	0	0	113.3	V652	V652-D654 VanDerWaalsContact C-N 3.3Å; V652-D654 PolarHBondContact O-N 3.24Å
655	I	85.3	Confident	90.7	Very high	82 Å²	82	36.8 Å²	36.8	42%	0.421	21%	0.21	S	C	.	.	H	α-helix	trans	-102.6	-59.8	-178.1	-57.5	173.6	0	0	0	109.9	G283 L560 V652	G283-I655 VanDerWaalsContact CA-O 3.24Å; G283-I655 WeakPolarHBondContact CA-O 2.99Å; L560-I655 HydrophobicContact CD1-CD1 3.55Å; V652-I655 PolarHBondContact O-N 2.9Å; V652-I655 VanDerWaalsContact O-N 3.09Å
656	D	85.3	Confident	91.1	Very high	27 Å²	27	39.4 Å²	39.4	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-148.9	85.9	176.8	-174.3	-2.1	0	0	0	109.7	V652 S658 L659	V652-D656 CarbonylContact O-C 3.49Å; V652-D656 PolarHBondContact O-N 3.41Å; D656-S658 VanDerWaalsContact CG-OG 3.24Å; D656-S658 PolarHBondContact O-N 2.82Å; D656-S658 WeakPolarHBondContact OD1-CB 3.37Å; D656-S658 PolarHBondContact OD1-N 2.9Å; D656-S658 PolarHBondContact OD1-OG 3.1Å; D656-S658 PolarHBondContact OD2-OG 3.38Å; D656-L659 HydrophobicContact CB-CD1 4.09Å; D656-L659 HydrophobicContact CB-CG 4.15Å; D656-L659 WeakPolarHBondContact O-CB 3.27Å; D656-L659 PolarHBondContact O-N 2.89Å
657	S	85.3	Confident	91.4	Very high	8 Å²	8	40.7 Å²	40.7	6%	0.056	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57.8	-17.1	175.4	60.3	0	0	0	0	114	R322 V652 L659 A660	R322-S657 WeakPolarHBondContact CA-OG 3.2Å; V652-S657 PolarHBondContact O-N 3.5Å; S657-L659 PolarHBondContact O-N 2.85Å; S657-A660 VanDerWaalsContact O-CB 3.24Å; S657-A660 WeakPolarHBondContact O-CB 3.42Å; S657-A660 PolarHBondContact O-N 2.81Å
658	S	83.5	Confident	91.5	Very high	22 Å²	22	39.9 Å²	39.9	15%	0.154	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.9	-27.4	173.7	81.2	0	0	0	0	111.7	R553 D656 A660 W662	R553-S658 PolarHBondContact NH2-OG 2.82Å; D656-S658 VanDerWaalsContact CG-OG 3.24Å; D656-S658 PolarHBondContact O-N 2.82Å; D656-S658 WeakPolarHBondContact OD1-CB 3.37Å; D656-S658 PolarHBondContact OD1-N 2.9Å; D656-S658 PolarHBondContact OD1-OG 3.1Å; D656-S658 PolarHBondContact OD2-OG 3.38Å; S658-A660 VanDerWaalsContact C-N 3.27Å; S658-A660 PolarHBondContact O-N 3.43Å; S658-W662 WeakPolarHBondContact O-CZ3 3.24Å
659	L	90.6	Very high	91.3	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-77.5	-9.7	178.3	-61.9	179.8	0	0	0	114	R553 L554 Q557 V652 D656 S657 K661 W662 C663	R553-L659 HydrophobicContact CG-CD2 3.95Å; L554-L659 HydrophobicContact CD2-CB 4.38Å; L554-L659 HydrophobicContact CD2-CD2 4.4Å; Q557-L659 HydrophobicContact CB-CD1 4.07Å; Q557-L659 HydrophobicContact CG-CD1 3.45Å; Q557-L659 VanDerWaalsContact CG-CD1 3.45Å; V652-L659 HydrophobicContact CG2-CB 4.18Å; D656-L659 HydrophobicContact CB-CD1 4.09Å; D656-L659 HydrophobicContact CB-CG 4.15Å; D656-L659 WeakPolarHBondContact O-CB 3.27Å; D656-L659 PolarHBondContact O-N 2.89Å; S657-L659 PolarHBondContact O-N 2.85Å; L659-K661 PolarHBondContact O-N 3.31Å; L659-W662 HydrophobicContact CD2-CE3 4.28Å; L659-W662 HydrophobicContact CD2-CZ3 4.35Å; L659-W662 PolarHBondContact O-N 2.88Å; L659-C663 WeakPolarHBondContact O-CB 3.31Å; L659-C663 PolarHBondContact O-N 3.39Å
660	A	91.4	Very high	90.5	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.3	-25.5	-176.8	0	0	0	0	0	113.2	P649 L653 S657 S658 W662	P649-A660 HydrophobicContact CB-CB 3.88Å; P649-A660 HydrophobicContact CG-CB 3.85Å; L653-A660 HydrophobicContact CD2-CB 3.73Å; S657-A660 VanDerWaalsContact O-CB 3.24Å; S657-A660 WeakPolarHBondContact O-CB 3.42Å; S657-A660 PolarHBondContact O-N 2.81Å; S658-A660 VanDerWaalsContact C-N 3.27Å; S658-A660 PolarHBondContact O-N 3.43Å; A660-W662 PolarHBondContact O-N 3.03Å
661	K	91.7	Very high	88.9	Confident	33 Å²	33	51 Å²	51	14%	0.143	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60.2	-35.2	176.9	-175.7	173.3	-71.8	-174.8	0	112.8	D259 Y619 V639 R641 Y645 L659	D259-K661 IonicContact OD2-NZ 2.82Å; D259-K661 PolarHBondContact OD2-NZ 2.75Å; Y619-K661 HydrophobicContact CE1-CG 4.32Å; Y619-K661 WeakPolarHBondContact CE1-O 3.26Å; Y619-K661 PolarHBondContact OH-O 3.21Å; V639-K661 WeakPolarHBondContact O-CD 3.27Å; V639-K661 WeakPolarHBondContact O-CE 3.35Å; V639-K661 PolarHBondContact O-NZ 3.1Å; R641-K661 HydrophobicContact CB-CG 4.19Å; R641-K661 PolarHBondContact NH1-O 3Å; Y645-K661 VanDerWaalsContact CE1-CA 3.41Å; Y645-K661 HydrophobicContact CE1-CB 4.15Å; Y645-K661 HydrophobicContact CE1-CG 4.08Å; L659-K661 PolarHBondContact O-N 3.31Å
662	W	94.3	Very high	88.6	Confident	17 Å²	17	52.1 Å²	52.1	6%	0.064	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-33.5	-171.8	-51	-83.5	0	0	0	113.8	F550 R553 L554 L564 Y619 M636 S658 L659 A660 V664	F550-W662 AromaticContact CD1-CD1 3.7Å; F550-W662 AromaticContact CD1-NE1 3.6Å; F550-W662 AromaticContact CD2-CD1 3.81Å; F550-W662 AromaticContact CE1-NE1 3.71Å; F550-W662 AromaticContact CG-CD1 3.54Å; F550-W662 HydrophobicContact CG-CG 4.5Å; F550-W662 AromaticContact CG-NE1 3.95Å; R553-W662 HydrophobicContact CG-CE3 4.45Å; R553-W662 HydrophobicContact CG-CZ3 4.26Å; L554-W662 HydrophobicContact CD1-CB 3.97Å; L554-W662 HydrophobicContact CD2-CB 4.09Å; L554-W662 HydrophobicContact CG-CB 4.13Å; L564-W662 HydrophobicContact CD1-CB 4.44Å; Y619-W662 AromaticContact CE1-CD1 3.83Å; Y619-W662 WeakPolarHBondContact OH-CA 3.48Å; M636-W662 HydrophobicContact CE-CZ2 3.84Å; S658-W662 WeakPolarHBondContact O-CZ3 3.24Å; L659-W662 HydrophobicContact CD2-CE3 4.28Å; L659-W662 HydrophobicContact CD2-CZ3 4.35Å; L659-W662 PolarHBondContact O-N 2.88Å; A660-W662 PolarHBondContact O-N 3.03Å; W662-V664 PolarHBondContact O-N 3.27Å
663	C	96.3	Very high	88.4	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.02	29%	0.292	C	S	.	.			trans	-66.3	132.1	-170.4	-175.3	0	0	0	0	113.2	L554 C561 P649 V652 L659	L554-C663 HydrophobicContact CD2-CB 4.06Å; C561-C663 HydrophobicContact CB-CB 4Å; C561-C663 WeakPolarHBondContact CB-SG 3.33Å; C561-C663 WeakPolarHBondContact SG-CB 3.4Å; C561-C663 CovalentContact SG-SG 2.04Å; C561-C663 PolarHBondContact SG-SG 3.38Å; P649-C663 HydrophobicContact CB-CB 4.1Å; V652-C663 HydrophobicContact CG1-CB 4.41Å; V652-C663 HydrophobicContact CG2-CB 3.75Å; L659-C663 WeakPolarHBondContact O-CB 3.31Å; L659-C663 PolarHBondContact O-N 3.39Å
664	V	96.9	Very high	88.5	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	29%	0.291	C	S	.	.			trans	-118	111.3	162.9	-177.5	0	0	0	0	107	C561 A562 L564 P614 W662 L669	C561-V664 WeakPolarHBondContact CA-O 3.23Å; A562-V664 PolarHBondContact N-O 3.14Å; L564-V664 HydrophobicContact CD2-CG2 4.23Å; P614-V664 HydrophobicContact CB-CG1 4.41Å; P614-V664 HydrophobicContact CG-CB 4.3Å; P614-V664 HydrophobicContact CG-CG1 4.23Å; W662-V664 PolarHBondContact O-N 3.27Å; V664-L669 HydrophobicContact CG1-CD2 3.88Å
665	C	97.1	Very high	88.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-65.4	143.6	-178.8	-56.2	0	0	0	0	111.1	L560 K648 P649 C651 D667 K668	L560-C665 WeakPolarHBondContact O-CA 3.36Å; K648-C665 WeakPolarHBondContact O-CB 3.08Å; K648-C665 PolarHBondContact O-N 3.47Å; K648-C665 PolarHBondContact O-SG 3.48Å; P649-C665 VanDerWaalsContact C-SG 3.51Å; C651-C665 HydrophobicContact CB-CB 3.87Å; C651-C665 WeakPolarHBondContact CB-SG 3.33Å; C651-C665 PolarHBondContact N-SG 3.42Å; C651-C665 WeakPolarHBondContact SG-CB 3.38Å; C651-C665 CovalentContact SG-SG 2.03Å; C651-C665 PolarHBondContact SG-SG 2.94Å; C665-D667 WeakPolarHBondContact CB-OD1 3.35Å; C665-D667 PolarHBondContact O-N 3.49Å; C665-K668 HydrophobicContact CB-CG 4.28Å; C665-K668 WeakPolarHBondContact O-CA 3.3Å; C665-K668 WeakPolarHBondContact O-CB 3.27Å; C665-K668 PolarHBondContact O-N 2.65Å
666	Y	96.8	Very high	89	Confident	107 Å²	107	46.1 Å²	46.1	42%	0.42	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-56.3	-35.3	-177.4	-77.8	-73.3	0	0	0	113.8	S558 L560 A562 K668 L669	S558-Y666 WeakPolarHBondContact O-CE2 3.25Å; S558-Y666 PolarHBondContact O-OH 2.85Å; S558-Y666 VanDerWaalsContact O-OH 3.08Å; L560-Y666 VanDerWaalsContact O-CD2 3.24Å; L560-Y666 WeakPolarHBondContact O-CD2 3.48Å; L560-Y666 PolarHBondContact O-N 2.89Å; A562-Y666 HydrophobicContact CB-CD1 4.13Å; A562-Y666 HydrophobicContact CB-CE1 3.88Å; Y666-K668 PolarHBondContact O-N 3.19Å; Y666-L669 HydrophobicContact CD1-CD1 3.7Å; Y666-L669 HydrophobicContact CE1-CD1 4.41Å; Y666-L669 WeakPolarHBondContact O-CB 3.24Å; Y666-L669 WeakPolarHBondContact O-CG 3.32Å; Y666-L669 PolarHBondContact O-N 2.92Å
667	D	94.8	Very high	89.2	Confident	90 Å²	90	47.3 Å²	47.3	48%	0.481	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-71.4	-8.7	176.5	70.7	-56.5	0	0	0	113.6	H650 C665	H650-D667 VanDerWaalsContact CE1-CG 3.43Å; H650-D667 IonicContact CE1-OD1 3.16Å; H650-D667 PolarHBondContact CE1-OD1 3.27Å; H650-D667 IonicContact CE1-OD2 2.98Å; H650-D667 PolarHBondContact CE1-OD2 2.86Å; H650-D667 IonicContact NE2-OD1 3.8Å; H650-D667 IonicContact NE2-OD2 3.4Å; H650-D667 PolarHBondContact NE2-OD2 3.43Å; C665-D667 WeakPolarHBondContact CB-OD1 3.35Å; C665-D667 PolarHBondContact O-N 3.49Å
668	K	93.3	Very high	89.5	Confident	56 Å²	56	50.1 Å²	50.1	24%	0.243	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-103.8	7	175.7	-58	-60.3	178.6	-162	0	113.6	H650 C665 Y666 N670 S671	H650-K668 WeakPolarHBondContact ND1-CE 3.36Å; C665-K668 HydrophobicContact CB-CG 4.28Å; C665-K668 WeakPolarHBondContact O-CA 3.3Å; C665-K668 WeakPolarHBondContact O-CB 3.27Å; C665-K668 PolarHBondContact O-N 2.65Å; Y666-K668 PolarHBondContact O-N 3.19Å; K668-N670 VanDerWaalsContact C-N 3.32Å; K668-S671 WeakPolarHBondContact CA-OG 3.29Å; K668-S671 PolarHBondContact O-OG 3.42Å
669	L	89.4	Confident	90	Very high	71 Å²	71	52.3 Å²	52.3	37%	0.372	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-28.5	177.9	-64	-178.2	0	0	0	113.2	A562 P614 V664 Y666	A562-L669 HydrophobicContact CB-CD1 4.04Å; A562-L669 HydrophobicContact CB-CD2 3.74Å; A562-L669 HydrophobicContact CB-CG 4.37Å; P614-L669 HydrophobicContact CB-CD2 3.45Å; P614-L669 VanDerWaalsContact CB-CD2 3.45Å; P614-L669 HydrophobicContact CG-CD2 3.33Å; V664-L669 HydrophobicContact CG1-CD2 3.88Å; Y666-L669 HydrophobicContact CD1-CD1 3.7Å; Y666-L669 HydrophobicContact CE1-CD1 4.41Å; Y666-L669 WeakPolarHBondContact O-CB 3.24Å; Y666-L669 WeakPolarHBondContact O-CG 3.32Å; Y666-L669 PolarHBondContact O-N 2.92Å
670	N	78	Confident	89.9	Confident	166 Å²	166	56.5 Å²	56.5	89%	0.888	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	4.8	-179.2	-63.9	-25.3	0	0	0	113.5	K668	K668-N670 VanDerWaalsContact C-N 3.32Å
671	S	59.2	Low	89.8	Confident	129 Å²	129	61.3 Å²	61.3	90%	0.902	32%	0.322	S	S	*	.			trans	-95.3	0	-174.1	68.4	0	0	0	0	114.3	K668	K668-S671 WeakPolarHBondContact CA-OG 3.29Å; K668-S671 PolarHBondContact O-OG 3.42Å

Retrieved 671 of 671 residues in 222.4 ms (Link to these results)

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