A0A5K4FGY4_SCHMA Loading...

Hist_deacetyl domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FGY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 359 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	51.5	Low	49.4	Very low	222 Å²	222	149 Å²	149	100%	1.094	71%	0.706	S	S	*	*				0	-24	0	-85.2	178.3	165.1	0	0	116.1	N3	M1-N3 PolarHBondContact O-N 3.29Å
2	R	47.3	Very low	49.2	Very low	229 Å²	229	142.6 Å²	142.6	86%	0.864	69%	0.688	S	S	*	*	H	α-helix	trans	-72.6	-17.5	-178.4	-78.8	179.3	175.2	172.7	-2	116.6
3	N	49.9	Very low	49.1	Very low	139 Å²	139	140.5 Å²	140.5	74%	0.743	68%	0.676	S	S	*	*	H	α-helix	trans	-87.1	-15.5	179.5	-76.6	-12.7	0	0	0	114.9	M1	M1-N3 PolarHBondContact O-N 3.29Å
4	S	50.3	Low	49.2	Very low	79 Å²	79	144.1 Å²	144.1	55%	0.552	68%	0.679	S	S	*	*	H	α-helix	trans	-80.9	-30.4	177.4	177.3	0	0	0	0	112.6
5	M	45.3	Very low	49.2	Very low	151 Å²	151	139.2 Å²	139.2	74%	0.744	66%	0.663	S	S	*	*	H	α-helix	trans	-73.6	-29.9	179.3	-74.4	-179.1	166.9	0	0	113.7	N7 S9	M5-N7 VanDerWaalsContact C-N 3.35Å; M5-N7 PolarHBondContact O-N 3.42Å; M5-S9 PolarHBondContact O-N 3.36Å
6	K	50.2	Low	49.1	Very low	151 Å²	151	136.8 Å²	136.8	66%	0.657	65%	0.651	S	S	*	*	H	α-helix	trans	-69.1	-29.4	176.9	-79.9	-176.6	175.4	179.3	0	113.2	R10	K6-R10 PolarHBondContact O-N 3.47Å
7	N	49.5	Very low	49.2	Very low	113 Å²	113	134.5 Å²	134.5	60%	0.604	64%	0.643	S	S	*	*	H	α-helix	trans	-79.5	-32.9	178.9	-80.4	-11.4	0	0	0	113.2	M5 H11	M5-N7 VanDerWaalsContact C-N 3.35Å; M5-N7 PolarHBondContact O-N 3.42Å; N7-H11 PolarHBondContact O-N 3.21Å
8	K	49.2	Very low	49.4	Very low	165 Å²	165	135.9 Å²	135.9	72%	0.717	65%	0.646	S	S	*	*	H	α-helix	trans	-67.9	-37.5	173.3	-76.5	-174.9	170.9	-178.6	0	112.7	H11 C12	K8-H11 PolarHBondContact O-N 2.89Å; K8-C12 PolarHBondContact O-N 3.17Å
9	S	49.2	Very low	49.3	Very low	65 Å²	65	136.6 Å²	136.6	46%	0.455	65%	0.646	S	S	.	*	H	α-helix	trans	-62.9	-43.4	175.4	162.9	0	0	0	0	112.7	M5 H11 C12 H13	M5-S9 PolarHBondContact O-N 3.36Å; S9-H11 VanDerWaalsContact C-N 3.35Å; S9-H11 PolarHBondContact O-N 3.41Å; S9-C12 PolarHBondContact O-N 2.91Å; S9-H13 PolarHBondContact O-N 2.95Å
10	R	52.1	Low	49.3	Very low	191 Å²	191	137 Å²	137	72%	0.721	65%	0.645	S	S	*	*	H	α-helix	trans	-67	-33	178.5	-75.5	-178.8	171.4	-174.8	-2.9	113.1	K6 R14	K6-R10 PolarHBondContact O-N 3.47Å; R10-R14 PolarHBondContact O-N 2.83Å
11	H	49.1	Very low	49.4	Very low	134 Å²	134	140.1 Å²	140.1	62%	0.62	65%	0.651	S	S	*	*	H	α-helix	trans	-71.5	-41.1	177.3	-158.9	71.6	0	0	0	112	N7 K8 S9 H13 R14 V15	N7-H11 PolarHBondContact O-N 3.21Å; K8-H11 PolarHBondContact O-N 2.89Å; S9-H11 VanDerWaalsContact C-N 3.35Å; S9-H11 PolarHBondContact O-N 3.41Å; H11-H13 PolarHBondContact O-N 3.39Å; H11-R14 PolarHBondContact O-N 3.17Å; H11-V15 WeakPolarHBondContact O-CG2 3.17Å; H11-V15 PolarHBondContact O-N 3.02Å
12	C	47.2	Very low	49.2	Very low	72 Å²	72	132 Å²	132	49%	0.486	62%	0.619	S	S	.	*	H	α-helix	trans	-63.3	-41.9	178.2	-162.6	0	0	0	0	112.4	K8 S9 R14 V15 Q16	K8-C12 PolarHBondContact O-N 3.17Å; S9-C12 PolarHBondContact O-N 2.91Å; C12-R14 VanDerWaalsContact C-N 3.35Å; C12-R14 PolarHBondContact O-N 3.39Å; C12-V15 PolarHBondContact O-N 3.3Å; C12-Q16 WeakPolarHBondContact O-CG 3.32Å; C12-Q16 PolarHBondContact O-N 3.23Å
13	H	47.7	Very low	49.3	Very low	115 Å²	115	126.7 Å²	126.7	53%	0.532	61%	0.607	S	S	.	*	H	α-helix	trans	-66.3	-32.3	175.3	-80.6	-30.1	0	0	0	113.8	S9 H11 N17	S9-H13 PolarHBondContact O-N 2.95Å; H11-H13 PolarHBondContact O-N 3.39Å; H13-N17 WeakPolarHBondContact O-CB 3.23Å; H13-N17 PolarHBondContact O-N 3.46Å; H13-N17 VanDerWaalsContact O-N 3.07Å
14	R	50	Low	49.1	Very low	191 Å²	191	127.6 Å²	127.6	72%	0.721	60%	0.604	S	S	*	*	H	α-helix	trans	-72.1	-35.1	178.9	-152.3	172.8	-176.5	-177	-0.1	112	R10 H11 C12 K18	R10-R14 PolarHBondContact O-N 2.83Å; H11-R14 PolarHBondContact O-N 3.17Å; C12-R14 VanDerWaalsContact C-N 3.35Å; C12-R14 PolarHBondContact O-N 3.39Å; R14-K18 PolarHBondContact O-N 3.43Å
15	V	49.6	Very low	49	Very low	71 Å²	71	126.7 Å²	126.7	43%	0.43	60%	0.598	S	S	.	*	H	α-helix	trans	-72.4	-42	175.4	176.7	0	0	0	0	111.5	H11 C12 N17 K18 K19	H11-V15 WeakPolarHBondContact O-CG2 3.17Å; H11-V15 PolarHBondContact O-N 3.02Å; C12-V15 PolarHBondContact O-N 3.3Å; V15-N17 VanDerWaalsContact C-N 3.35Å; V15-N17 PolarHBondContact O-N 2.67Å; V15-K18 PolarHBondContact O-N 2.91Å; V15-K19 PolarHBondContact O-N 2.92Å
16	Q	48	Very low	49.2	Very low	100 Å²	100	128.8 Å²	128.8	47%	0.467	60%	0.597	S	S	.	*	H	α-helix	trans	-63.7	-38	175.8	-75	179.2	-15.9	0	0	112.6	C12 K19 K20	C12-Q16 WeakPolarHBondContact O-CG 3.32Å; C12-Q16 PolarHBondContact O-N 3.23Å; Q16-K19 PolarHBondContact O-N 2.84Å; Q16-K20 PolarHBondContact O-N 3.13Å
17	N	50.7	Low	49	Very low	98 Å²	98	124 Å²	124	52%	0.524	58%	0.583	S	S	.	*	H	α-helix	trans	-70.1	-32.7	176.3	-82.6	-21.3	0	0	0	113.2	H13 V15 R21	H13-N17 WeakPolarHBondContact O-CB 3.23Å; H13-N17 PolarHBondContact O-N 3.46Å; H13-N17 VanDerWaalsContact O-N 3.07Å; V15-N17 VanDerWaalsContact C-N 3.35Å; V15-N17 PolarHBondContact O-N 2.67Å; N17-R21 WeakPolarHBondContact O-CG 3.14Å; N17-R21 PolarHBondContact O-N 2.89Å; N17-R21 VanDerWaalsContact O-N 3.12Å
18	K	53.4	Low	48.8	Very low	161 Å²	161	126.2 Å²	126.2	70%	0.7	59%	0.587	S	S	*	*	H	α-helix	trans	-67	-43.7	171.3	-80.9	-170.3	175.3	-172.3	0	111.8	R14 V15 R21 A22	R14-K18 PolarHBondContact O-N 3.43Å; V15-K18 PolarHBondContact O-N 2.91Å; K18-R21 PolarHBondContact O-N 3.48Å; K18-A22 PolarHBondContact O-N 2.89Å
19	K	47	Very low	48.7	Very low	148 Å²	148	123.5 Å²	123.5	64%	0.643	58%	0.579	S	S	*	*	H	α-helix	trans	-61.4	-43.6	174.6	-79.4	-171.5	174.3	-174.2	0	112.4	V15 Q16 R21 A22 I23	V15-K19 PolarHBondContact O-N 2.92Å; Q16-K19 PolarHBondContact O-N 2.84Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 2.92Å; K19-A22 PolarHBondContact O-N 3.4Å; K19-I23 WeakPolarHBondContact O-CG1 3.36Å; K19-I23 PolarHBondContact O-N 3.18Å
20	K	49.4	Very low	48.4	Very low	144 Å²	144	124 Å²	124	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-63.4	-34.6	176.2	-77.8	-175.7	177.4	-179	0	113.4	Q16 K24	Q16-K20 PolarHBondContact O-N 3.13Å; K20-K24 PolarHBondContact O-N 2.75Å; K20-K24 VanDerWaalsContact O-N 3.16Å
21	R	50.6	Low	47.9	Very low	203 Å²	203	123.7 Å²	123.7	77%	0.766	58%	0.579	S	S	*	*	H	α-helix	trans	-71.1	-39.1	175.6	-77.5	-177.4	175	-168.2	-1.6	112.5	N17 K18 K19 K24 S25	N17-R21 WeakPolarHBondContact O-CG 3.14Å; N17-R21 PolarHBondContact O-N 2.89Å; N17-R21 VanDerWaalsContact O-N 3.12Å; K18-R21 PolarHBondContact O-N 3.48Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 2.92Å; R21-K24 PolarHBondContact O-N 3.2Å; R21-S25 PolarHBondContact O-N 2.89Å
22	A	48.1	Very low	47.6	Very low	51 Å²	51	122.1 Å²	122.1	42%	0.421	58%	0.578	S	S	.	*	H	α-helix	trans	-67.6	-36.2	176	0	0	0	0	0	113	K18 K19 S25 R26	K18-A22 PolarHBondContact O-N 2.89Å; K19-A22 PolarHBondContact O-N 3.4Å; A22-S25 PolarHBondContact O-N 2.84Å; A22-S25 PolarHBondContact O-OG 3.25Å; A22-R26 PolarHBondContact O-N 2.64Å
23	I	48.5	Very low	47.2	Very low	119 Å²	119	123.9 Å²	123.9	61%	0.61	58%	0.582	S	S	*	*	H	α-helix	trans	-68.1	-40.4	174.5	-66	165.1	0	0	0	110.7	K19 R26 S27	K19-I23 WeakPolarHBondContact O-CG1 3.36Å; K19-I23 PolarHBondContact O-N 3.18Å; I23-R26 PolarHBondContact O-N 2.88Å; I23-S27 PolarHBondContact O-N 2.8Å; I23-S27 PolarHBondContact O-OG 3.29Å
24	K	46.7	Very low	46.8	Very low	157 Å²	157	123.5 Å²	123.5	68%	0.683	58%	0.583	S	S	*	*	H	α-helix	trans	-67.8	-32.3	175.6	-80.8	-174.3	175.4	-174.3	0	113.5	K20 R21 S27 K28	K20-K24 PolarHBondContact O-N 2.75Å; K20-K24 VanDerWaalsContact O-N 3.16Å; R21-K24 PolarHBondContact O-N 3.2Å; K24-S27 WeakPolarHBondContact CA-OG 3.4Å; K24-S27 PolarHBondContact O-OG 3.3Å; K24-K28 PolarHBondContact O-N 2.78Å
25	S	47.4	Very low	46.3	Very low	60 Å²	60	122.9 Å²	122.9	42%	0.42	59%	0.586	S	S	.	*	H	α-helix	trans	-73.8	-41.5	175.6	67.7	0	0	0	0	111.5	R21 A22 K28 I29	R21-S25 PolarHBondContact O-N 2.89Å; A22-S25 PolarHBondContact O-N 2.84Å; A22-S25 PolarHBondContact O-OG 3.25Å; S25-K28 PolarHBondContact O-N 3.47Å; S25-I29 WeakPolarHBondContact O-CG1 3.45Å; S25-I29 PolarHBondContact O-N 3.28Å; S25-I29 VanDerWaalsContact O-N 3.09Å
26	R	49.1	Very low	45.8	Very low	195 Å²	195	127.7 Å²	127.7	74%	0.736	60%	0.604	S	S	*	*	H	α-helix	trans	-59.7	-46	171.9	-81	-176	171.9	179.5	-3.5	111.7	A22 I23 K28 I29 T30	A22-R26 PolarHBondContact O-N 2.64Å; I23-R26 PolarHBondContact O-N 2.88Å; R26-K28 PolarHBondContact O-N 3.08Å; R26-I29 PolarHBondContact O-N 2.68Å; R26-T30 PolarHBondContact O-N 3.16Å; R26-T30 PolarHBondContact O-OG1 3.4Å
27	S	47.4	Very low	45.4	Very low	51 Å²	51	129.3 Å²	129.3	36%	0.357	62%	0.616	S	S	.	*	H	α-helix	trans	-64.4	-26.7	177.5	70.7	0	0	0	0	114.1	I23 K24 R31	I23-S27 PolarHBondContact O-N 2.8Å; I23-S27 PolarHBondContact O-OG 3.29Å; K24-S27 WeakPolarHBondContact CA-OG 3.4Å; K24-S27 PolarHBondContact O-OG 3.3Å; S27-R31 WeakPolarHBondContact O-CB 3.31Å; S27-R31 WeakPolarHBondContact O-CG 3.17Å; S27-R31 PolarHBondContact O-N 3.27Å
28	K	45.5	Very low	44.4	Very low	159 Å²	159	132.7 Å²	132.7	69%	0.691	63%	0.628	S	S	*	*	H	α-helix	trans	-74.7	-42	175.2	-105.3	-175.2	174.8	-172.9	0	111.3	K24 S25 R26 R31 T32	K24-K28 PolarHBondContact O-N 2.78Å; S25-K28 PolarHBondContact O-N 3.47Å; R26-K28 PolarHBondContact O-N 3.08Å; K28-R31 PolarHBondContact O-N 3.3Å; K28-T32 PolarHBondContact O-N 2.95Å; K28-T32 PolarHBondContact O-OG1 2.8Å; K28-T32 VanDerWaalsContact O-OG1 3.06Å
29	I	45.7	Very low	43.4	Very low	108 Å²	108	133.5 Å²	133.5	55%	0.554	63%	0.634	S	S	*	*	H	α-helix	trans	-65.3	-43.8	177	-65.3	166.9	0	0	0	110.2	S25 R26 R31 T32 I33	S25-I29 WeakPolarHBondContact O-CG1 3.45Å; S25-I29 PolarHBondContact O-N 3.28Å; S25-I29 VanDerWaalsContact O-N 3.09Å; R26-I29 PolarHBondContact O-N 2.68Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 2.91Å; I29-T32 PolarHBondContact O-N 2.87Å; I29-I33 HydrophobicContact CG2-CD1 4.17Å; I29-I33 WeakPolarHBondContact O-CG1 3.08Å; I29-I33 PolarHBondContact O-N 2.99Å
30	T	42.7	Very low	42.9	Very low	76 Å²	76	135.6 Å²	135.6	47%	0.466	65%	0.646	S	S	.	*	H	α-helix	trans	-62.3	-37.5	175.5	-42.4	0	0	0	0	112.2	R26 I33 L34	R26-T30 PolarHBondContact O-N 3.16Å; R26-T30 PolarHBondContact O-OG1 3.4Å; T30-I33 PolarHBondContact O-N 2.89Å; T30-L34 HydrophobicContact CG2-CD1 3.99Å; T30-L34 WeakPolarHBondContact O-CB 3.37Å; T30-L34 WeakPolarHBondContact O-CD1 3.48Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.28Å; T30-L34 PolarHBondContact O-N 3.1Å
31	R	41.7	Very low	41.9	Very low	185 Å²	185	137.5 Å²	137.5	70%	0.698	65%	0.654	S	S	*	*	H	α-helix	trans	-72	-26.5	176	-83.2	-178.6	177.9	169.9	-0	114.3	S27 K28 I29 K35	S27-R31 WeakPolarHBondContact O-CB 3.31Å; S27-R31 WeakPolarHBondContact O-CG 3.17Å; S27-R31 PolarHBondContact O-N 3.27Å; K28-R31 PolarHBondContact O-N 3.3Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 2.91Å; R31-K35 WeakPolarHBondContact O-CG 3.31Å; R31-K35 PolarHBondContact O-N 2.86Å
32	T	42.3	Very low	41	Very low	100 Å²	100	134.8 Å²	134.8	61%	0.613	66%	0.655	S	S	*	*	H	α-helix	trans	-76.7	-32.4	176.4	-57	0	0	0	0	111.2	K28 I29	K28-T32 PolarHBondContact O-N 2.95Å; K28-T32 PolarHBondContact O-OG1 2.8Å; K28-T32 VanDerWaalsContact O-OG1 3.06Å; I29-T32 PolarHBondContact O-N 2.87Å
33	I	40.5	Very low	40.2	Very low	109 Å²	109	137.6 Å²	137.6	56%	0.559	67%	0.671	S	S	*	*	H	α-helix	trans	-72.9	-42.9	174	-62	169.6	0	0	0	110.5	I29 T30 K35 Q36	I29-I33 HydrophobicContact CG2-CD1 4.17Å; I29-I33 WeakPolarHBondContact O-CG1 3.08Å; I29-I33 PolarHBondContact O-N 2.99Å; T30-I33 PolarHBondContact O-N 2.89Å; I33-K35 VanDerWaalsContact C-N 3.26Å; I33-K35 PolarHBondContact O-N 2.75Å; I33-Q36 PolarHBondContact O-N 2.71Å
34	L	38.8	Very low	39.5	Very low	108 Å²	108	137.8 Å²	137.8	57%	0.565	68%	0.68	S	S	*	*	H	α-helix	trans	-67.7	-18.1	179.7	-72	167.6	0	0	0	115	T30 Q36	T30-L34 HydrophobicContact CG2-CD1 3.99Å; T30-L34 WeakPolarHBondContact O-CB 3.37Å; T30-L34 WeakPolarHBondContact O-CD1 3.48Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.28Å; T30-L34 PolarHBondContact O-N 3.1Å; L34-Q36 VanDerWaalsContact C-N 3.33Å
35	K	38.4	Very low	38.8	Very low	177 Å²	177	135.5 Å²	135.5	77%	0.77	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-8.2	179.2	-87.3	-170.7	173.1	-164.3	0	114.2	R31 I33	R31-K35 WeakPolarHBondContact O-CG 3.31Å; R31-K35 PolarHBondContact O-N 2.86Å; I33-K35 VanDerWaalsContact C-N 3.26Å; I33-K35 PolarHBondContact O-N 2.75Å
36	Q	39.2	Very low	38	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-8.5	176.5	-73	-174.2	-32.5	0	0	113.5	I33 L34	I33-Q36 PolarHBondContact O-N 2.71Å; L34-Q36 VanDerWaalsContact C-N 3.33Å
37	D	40.1	Very low	37.3	Very low	135 Å²	135	134 Å²	134	72%	0.722	70%	0.696	S	S	*	*	S	Bend	trans	-113.4	6	-173.1	-69.7	-33.2	0	0	0	115.6
38	E	31	Very low	36.7	Very low	168 Å²	168	136.2 Å²	136.2	79%	0.785	71%	0.712	S	S	*	*	S	Bend	trans	-94.9	13.5	-177.6	-79.7	-160.7	159.1	0	0	116.1
39	H	31.7	Very low	36.5	Very low	179 Å²	179	132.4 Å²	132.4	83%	0.829	70%	0.702	S	S	*	*			trans	-129.3	74.6	173.3	-80	-56	0	0	0	112.6
40	H	35.5	Very low	36.1	Very low	191 Å²	191	133.9 Å²	133.9	88%	0.884	71%	0.709	S	S	*	*			trans	-156.1	103.4	147.9	-101	-60.2	0	0	0	110.9
41	K	29.7	Very low	36.5	Very low	185 Å²	185	132.3 Å²	132.3	80%	0.804	70%	0.698	S	S	*	*			trans	-92.6	140	160.7	-77.1	-176.6	174.9	-178.3	0	108.5
42	D	30.4	Very low	36.6	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	71%	0.706	S	S	*	*	S	Bend	trans	57.5	85.7	156.3	-52.2	-33.6	0	0	0	118.1
43	S	31.1	Very low	37	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	70%	0.701	S	S	*	*			trans	171.1	141.3	143	-71.6	0	0	0	0	109.2
44	P	33.6	Very low	37.9	Very low	122 Å²	122	129.1 Å²	129.1	79%	0.792	69%	0.69	S	S	*	*			trans	-69.4	127.6	172.4	28.9	-29.6	0	0	0	108.5	S46	P44-S46 PolarHBondContact O-N 3.18Å; P44-S46 VanDerWaalsContact O-N 3.08Å
45	P	33.8	Very low	39.6	Very low	109 Å²	109	131.3 Å²	131.3	71%	0.708	70%	0.697	S	S	*	*			trans	-76	106.2	177.1	29.1	-28.9	0	0	0	107.9	T47	P45-T47 PolarHBondContact O-N 3.49Å
46	S	30.2	Very low	42	Very low	120 Å²	120	124.5 Å²	124.5	84%	0.839	67%	0.672	S	S	*	*			trans	-71.8	68.8	160.6	65.9	0	0	0	0	108.4	P44 S48	P44-S46 PolarHBondContact O-N 3.18Å; P44-S46 VanDerWaalsContact O-N 3.08Å; S46-S48 PolarHBondContact O-N 3.11Å
47	T	34.2	Very low	44.7	Very low	103 Å²	103	118.6 Å²	118.6	63%	0.632	65%	0.648	S	S	*	*			trans	-83.7	91.9	171.9	-38.2	0	0	0	0	107.2	P45 V49	P45-T47 PolarHBondContact O-N 3.49Å; T47-V49 VanDerWaalsContact C-N 3.26Å; T47-V49 HydrophobicContact CG2-CG2 4.37Å; T47-V49 PolarHBondContact O-N 3Å
48	S	33.9	Very low	47.4	Very low	99 Å²	99	112.2 Å²	112.2	69%	0.692	61%	0.613	S	S	*	*			trans	-62.6	93.8	162	52.9	0	0	0	0	107.5	S46 I50	S46-S48 PolarHBondContact O-N 3.11Å; S48-I50 VanDerWaalsContact C-N 3.35Å; S48-I50 PolarHBondContact O-N 3.29Å
49	V	41.6	Very low	50.6	Low	78 Å²	78	104.4 Å²	104.4	47%	0.473	58%	0.577	S	S	.	*			trans	-72	96.8	171.6	-170.2	0	0	0	0	106.3	T47 L51	T47-V49 VanDerWaalsContact C-N 3.26Å; T47-V49 HydrophobicContact CG2-CG2 4.37Å; T47-V49 PolarHBondContact O-N 3Å; V49-L51 VanDerWaalsContact C-N 3.29Å; V49-L51 HydrophobicContact CB-CG 4.39Å; V49-L51 HydrophobicContact CG1-CD1 4.26Å; V49-L51 HydrophobicContact CG1-CD2 3.49Å; V49-L51 VanDerWaalsContact CG1-CD2 3.49Å; V49-L51 HydrophobicContact CG1-CG 3.58Å; V49-L51 PolarHBondContact O-N 3.01Å
50	I	38.7	Very low	53.7	Low	139 Å²	139	95.9 Å²	95.9	71%	0.713	54%	0.538	S	S	*	.			trans	-74.2	91	170.9	-57.8	178.2	0	0	0	106.6	S48 Q52	S48-I50 VanDerWaalsContact C-N 3.35Å; S48-I50 PolarHBondContact O-N 3.29Å; I50-Q52 HydrophobicContact CG2-CG 4.21Å; I50-Q52 PolarHBondContact O-N 3.06Å
51	L	49.8	Very low	56.7	Low	44 Å²	44	87.3 Å²	87.3	23%	0.23	50%	0.498	C	S	.	.			trans	-81.2	103.7	174.7	-68	171.8	0	0	0	109	V49 N53 I100 Q173 L174	V49-L51 VanDerWaalsContact C-N 3.29Å; V49-L51 HydrophobicContact CB-CG 4.39Å; V49-L51 HydrophobicContact CG1-CD1 4.26Å; V49-L51 HydrophobicContact CG1-CD2 3.49Å; V49-L51 VanDerWaalsContact CG1-CD2 3.49Å; V49-L51 HydrophobicContact CG1-CG 3.58Å; V49-L51 PolarHBondContact O-N 3.01Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 2.92Å; L51-I100 HydrophobicContact CD1-CD1 3.82Å; L51-I100 HydrophobicContact CD1-CG2 4.15Å; L51-I100 HydrophobicContact CD2-CD1 3.42Å; L51-I100 VanDerWaalsContact CD2-CD1 3.42Å; L51-I100 HydrophobicContact CD2-CG1 4.18Å; L51-I100 HydrophobicContact CD2-CG2 4.19Å; L51-I100 HydrophobicContact CG-CD1 4.17Å; L51-Q173 HydrophobicContact CD1-CB 4.43Å; L51-L174 HydrophobicContact CD1-CD2 3.86Å; L51-L174 HydrophobicContact CD1-CG 4.34Å
52	Q	44.2	Very low	59.9	Low	185 Å²	185	79.9 Å²	79.9	86%	0.864	47%	0.467	S	S	*	.			trans	-80.9	0.8	-180	-77.4	-168.5	-22.7	0	0	114.3	I50	I50-Q52 HydrophobicContact CG2-CG 4.21Å; I50-Q52 PolarHBondContact O-N 3.06Å
53	N	50.9	Low	63.1	Low	96 Å²	96	78.9 Å²	78.9	51%	0.513	46%	0.457	S	S	.	.			trans	-134.8	100.8	-176.4	-145.6	-0.9	0	0	0	111.9	L51 Q55 S56	L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 2.92Å; N53-Q55 PolarHBondContact O-N 3.35Å; N53-S56 PolarHBondContact O-N 2.9Å; N53-S56 PolarHBondContact O-OG 3.2Å; N53-S56 VanDerWaalsContact O-OG 3.12Å
54	S	59.6	Low	66.3	Low	45 Å²	45	78.1 Å²	78.1	32%	0.315	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-8.1	-180	60.6	0	0	0	0	113.6	S56 N172 L174 S175	S54-S56 VanDerWaalsContact C-N 3.29Å; S54-S56 PolarHBondContact O-N 3.21Å; S54-N172 WeakPolarHBondContact CB-O 3.45Å; S54-N172 WeakPolarHBondContact CB-OD1 3.37Å; S54-L174 CarbonylContact O-C 3.54Å; S54-S175 WeakPolarHBondContact O-CA 3.15Å; S54-S175 VanDerWaalsContact O-CB 3.3Å; S54-S175 WeakPolarHBondContact O-CB 3.47Å; S54-S175 PolarHBondContact O-N 2.79Å; S54-S175 PolarHBondContact O-OG 2.93Å
55	Q	73.8	Confident	69.4	Low	154 Å²	154	72.3 Å²	72.3	72%	0.72	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	8.2	-179.8	-67.3	-165.5	-20.2	0	0	115.6	N53 S175	N53-Q55 PolarHBondContact O-N 3.35Å; Q55-S175 VanDerWaalsContact CA-OG 3.28Å; Q55-S175 WeakPolarHBondContact CA-OG 3.22Å
56	S	89.8	Confident	72.4	Confident	35 Å²	35	68.5 Å²	68.5	25%	0.245	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-100	146.9	-170.4	-52.5	0	0	0	0	113.1	N53 S54 S175	N53-S56 PolarHBondContact O-N 2.9Å; N53-S56 PolarHBondContact O-OG 3.2Å; N53-S56 VanDerWaalsContact O-OG 3.12Å; S54-S56 VanDerWaalsContact C-N 3.29Å; S54-S56 PolarHBondContact O-N 3.21Å; S56-S175 PolarHBondContact O-N 3.49Å
57	T	95.8	Very high	75.7	Confident	48 Å²	48	67.4 Å²	67.4	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.7	174.3	-61.7	0	0	0	0	110.6	C99 I100 N176	T57-C99 CarbonylContact O-C 3.58Å; T57-C99 VanDerWaalsContact O-CA 3.31Å; T57-C99 WeakPolarHBondContact O-CA 3.19Å; T57-C99 WeakPolarHBondContact O-CB 3.32Å; T57-I100 PolarHBondContact O-N 3.28Å; T57-N176 WeakPolarHBondContact CA-O 3.39Å; T57-N176 WeakPolarHBondContact CA-OD1 3.36Å; T57-N176 VanDerWaalsContact CB-OD1 3.26Å; T57-N176 WeakPolarHBondContact CB-OD1 2.89Å; T57-N176 VanDerWaalsContact CG2-OD1 3.25Å; T57-N176 WeakPolarHBondContact CG2-OD1 3.41Å; T57-N176 PolarHBondContact OG1-OD1 2.82Å
58	G	96.8	Very high	78.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	144.7	171.5	0	0	0	0	0	112.6	I100 N176 G177 L178	G58-I100 CarbonylContact C-O 3.42Å; G58-I100 WeakPolarHBondContact CA-O 3.29Å; G58-N176 PolarHBondContact N-O 3.26Å; G58-G177 CarbonylContact O-C 3.55Å; G58-G177 WeakPolarHBondContact O-CA 3.17Å; G58-L178 PolarHBondContact O-N 3.21Å
59	L	96.9	Very high	81.6	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.4	174.2	177.9	65.8	0	0	0	110.3	F87 V96 C99 I100 V102 L178 L180	L59-F87 HydrophobicContact CD2-CD2 4.46Å; L59-F87 HydrophobicContact CD2-CE2 4.12Å; L59-V96 HydrophobicContact CD2-CB 4.26Å; L59-V96 HydrophobicContact CD2-CG1 4.11Å; L59-V96 HydrophobicContact CD2-CG2 3.83Å; L59-C99 HydrophobicContact CB-CB 3.63Å; L59-C99 HydrophobicContact CD2-CB 4.38Å; L59-I100 PolarHBondContact N-O 3.32Å; L59-V102 PolarHBondContact O-N 3.16Å; L59-L178 WeakPolarHBondContact CA-O 3.42Å; L59-L178 HydrophobicContact CD1-CB 4.01Å; L59-L178 HydrophobicContact CD1-CD2 4.04Å; L59-L178 HydrophobicContact CD1-CG 4Å; L59-L180 HydrophobicContact CD1-CD1 4.11Å; L59-L180 HydrophobicContact CD1-CG 4.07Å
60	V	97.9	Very high	84.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129	170.9	-172.3	0	0	0	0	109.6	V102 A104 S161 L165 L178 A179 L180	V60-V102 HydrophobicContact CG2-CB 3.65Å; V60-V102 HydrophobicContact CG2-CG1 3.77Å; V60-A104 HydrophobicContact CG1-CB 4.07Å; V60-S161 VanDerWaalsContact CG1-OG 3.25Å; V60-S161 WeakPolarHBondContact CG1-OG 3.12Å; V60-L165 HydrophobicContact CG2-CB 4.04Å; V60-L165 HydrophobicContact CG2-CD1 4.3Å; V60-L165 HydrophobicContact CG2-CD2 4.13Å; V60-L165 HydrophobicContact CG2-CG 4.4Å; V60-L178 PolarHBondContact N-O 3.01Å; V60-A179 HydrophobicContact CB-CB 4.39Å; V60-L180 WeakPolarHBondContact O-CB 3.2Å; V60-L180 PolarHBondContact O-N 3.07Å
61	Y	97.3	Very high	86.7	Confident	12 Å²	12	57.6 Å²	57.6	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	132.9	168.9	168.3	-95.4	0	0	0	107.5	E63 I83 F87 R101 L180	Y61-E63 HydrophobicContact CE1-CG 3.81Å; Y61-I83 HydrophobicContact CD2-CD1 4.24Å; Y61-I83 HydrophobicContact CE2-CB 4.35Å; Y61-I83 HydrophobicContact CE2-CD1 3.98Å; Y61-I83 HydrophobicContact CE2-CG1 4.07Å; Y61-F87 HydrophobicContact CD1-CB 4.37Å; Y61-F87 AromaticContact CD1-CD1 3.5Å; Y61-F87 HydrophobicContact CD1-CD1 3.5Å; Y61-F87 VanDerWaalsContact CD1-CD1 3.5Å; Y61-F87 AromaticContact CD1-CD2 3.82Å; Y61-F87 HydrophobicContact CD1-CD2 3.82Å; Y61-F87 AromaticContact CD1-CE1 3.6Å; Y61-F87 HydrophobicContact CD1-CE1 3.6Å; Y61-F87 AromaticContact CD1-CE2 3.93Å; Y61-F87 HydrophobicContact CD1-CE2 3.93Å; Y61-F87 AromaticContact CD1-CG 3.61Å; Y61-F87 HydrophobicContact CD1-CG 3.61Å; Y61-F87 AromaticContact CD1-CZ 3.85Å; Y61-F87 HydrophobicContact CD1-CZ 3.85Å; Y61-F87 HydrophobicContact CD2-CB 3.58Å; Y61-F87 HydrophobicContact CD2-CD1 4.25Å; Y61-F87 HydrophobicContact CD2-CD2 4.05Å; Y61-F87 AromaticContact CD2-CG 3.7Å; Y61-F87 HydrophobicContact CD2-CG 3.7Å; Y61-F87 HydrophobicContact CE1-CB 4.4Å; Y61-F87 AromaticContact CE1-CD1 3.37Å; Y61-F87 HydrophobicContact CE1-CD1 3.37Å; Y61-F87 HydrophobicContact CE1-CD2 4.49Å; Y61-F87 AromaticContact CE1-CE1 3.67Å; Y61-F87 HydrophobicContact CE1-CE1 3.67Å; Y61-F87 AromaticContact CE1-CG 3.84Å; Y61-F87 HydrophobicContact CE1-CG 3.84Å; Y61-F87 HydrophobicContact CE1-CZ 4.38Å; Y61-F87 HydrophobicContact CE2-CB 3.59Å; Y61-F87 HydrophobicContact CE2-CD1 4.14Å; Y61-F87 AromaticContact CE2-CG 3.9Å; Y61-F87 HydrophobicContact CE2-CG 3.9Å; Y61-F87 HydrophobicContact CG-CB 3.97Å; Y61-F87 AromaticContact CG-CD1 3.94Å; Y61-F87 HydrophobicContact CG-CD1 3.94Å; Y61-F87 AromaticContact CG-CD2 3.56Å; Y61-F87 HydrophobicContact CG-CD2 3.56Å; Y61-F87 HydrophobicContact CG-CE1 4.34Å; Y61-F87 HydrophobicContact CG-CE2 4.01Å; Y61-F87 AromaticContact CG-CG 3.53Å; Y61-F87 HydrophobicContact CG-CG 3.53Å; Y61-F87 HydrophobicContact CG-CZ 4.4Å; Y61-F87 AromaticContact CZ-CD1 3.7Å; Y61-F87 AromaticContact CZ-CG 3.97Å; Y61-R101 PolarHBondContact O-NH2 3.03Å; Y61-R101 VanDerWaalsContact O-NH2 3.13Å; Y61-L180 HydrophobicContact CD2-CB 4.13Å; Y61-L180 HydrophobicContact CD2-CD1 4.44Å
62	D	98	Very high	88.7	Confident	29 Å²	29	60 Å²	60	16%	0.155	29%	0.286	C	S	.	.			trans	-143.1	124.4	-179.7	-164.9	-61.5	0	0	0	111.4	R64 M65 A104	D62-R64 VanDerWaalsContact CG-NE 3.33Å; D62-R64 PolarHBondContact O-N 3.46Å; D62-R64 VanDerWaalsContact O-N 3.16Å; D62-R64 WeakPolarHBondContact OD1-CB 3.29Å; D62-R64 WeakPolarHBondContact OD1-CG 3.47Å; D62-R64 IonicContact OD1-CZ 3.13Å; D62-R64 PolarHBondContact OD1-N 2.89Å; D62-R64 IonicContact OD1-NE 3.76Å; D62-R64 PolarHBondContact OD1-NE 2.85Å; D62-R64 IonicContact OD1-NH2 2.68Å; D62-R64 IonicContact OD2-CZ 3.19Å; D62-R64 VanDerWaalsContact OD2-CZ 3.3Å; D62-R64 IonicContact OD2-NE 3.2Å; D62-R64 PolarHBondContact OD2-NE 3.24Å; D62-R64 VanDerWaalsContact OD2-NE 3.13Å; D62-R64 IonicContact OD2-NH2 2.85Å; D62-R64 PolarHBondContact OD2-NH2 2.98Å; D62-M65 HydrophobicContact CB-CE 3.83Å; D62-M65 WeakPolarHBondContact O-CB 3.24Å; D62-M65 PolarHBondContact O-N 3.12Å; D62-M65 VanDerWaalsContact O-N 3.1Å; D62-A104 HydrophobicContact CB-CB 3.53Å
63	E	98	Very high	90.7	Very high	124 Å²	124	56 Å²	56	58%	0.579	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.4	-177.6	-63.6	-165.9	150.6	0	0	113.4	Y61 M65 L66	Y61-E63 HydrophobicContact CE1-CG 3.81Å; E63-M65 PolarHBondContact O-N 3.45Å; E63-L66 HydrophobicContact CB-CD1 4.07Å; E63-L66 HydrophobicContact CG-CD1 4.26Å; E63-L66 WeakPolarHBondContact O-CB 3.49Å; E63-L66 VanDerWaalsContact O-CG 3.29Å; E63-L66 WeakPolarHBondContact O-CG 3.5Å; E63-L66 PolarHBondContact O-N 2.86Å
64	R	98.5	Very high	92	Very high	95 Å²	95	59.1 Å²	59.1	36%	0.358	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.2	-32.7	174.6	-65.6	174	-71.4	171.5	0.5	111.2	D62 L66 K67 A104 C154 L157	D62-R64 VanDerWaalsContact CG-NE 3.33Å; D62-R64 PolarHBondContact O-N 3.46Å; D62-R64 VanDerWaalsContact O-N 3.16Å; D62-R64 WeakPolarHBondContact OD1-CB 3.29Å; D62-R64 WeakPolarHBondContact OD1-CG 3.47Å; D62-R64 IonicContact OD1-CZ 3.13Å; D62-R64 PolarHBondContact OD1-N 2.89Å; D62-R64 IonicContact OD1-NE 3.76Å; D62-R64 PolarHBondContact OD1-NE 2.85Å; D62-R64 IonicContact OD1-NH2 2.68Å; D62-R64 IonicContact OD2-CZ 3.19Å; D62-R64 VanDerWaalsContact OD2-CZ 3.3Å; D62-R64 IonicContact OD2-NE 3.2Å; D62-R64 PolarHBondContact OD2-NE 3.24Å; D62-R64 VanDerWaalsContact OD2-NE 3.13Å; D62-R64 IonicContact OD2-NH2 2.85Å; D62-R64 PolarHBondContact OD2-NH2 2.98Å; R64-L66 PolarHBondContact O-N 2.9Å; R64-K67 WeakPolarHBondContact O-CB 3.43Å; R64-K67 WeakPolarHBondContact O-CG 3.31Å; R64-K67 PolarHBondContact O-N 3.29Å; R64-K67 VanDerWaalsContact O-N 3.12Å; R64-A104 PolarHBondContact NH2-O 3.27Å; R64-C154 PolarHBondContact O-SG 3.37Å; R64-L157 HydrophobicContact CB-CD1 3.61Å
65	M	98.3	Very high	93	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-65.5	-16.1	175.7	-70.6	-175.3	-78.7	0	0	112.8	D62 E63 K67 I83 L157 A158 L180 I181 R182	D62-M65 HydrophobicContact CB-CE 3.83Å; D62-M65 WeakPolarHBondContact O-CB 3.24Å; D62-M65 PolarHBondContact O-N 3.12Å; D62-M65 VanDerWaalsContact O-N 3.1Å; E63-M65 PolarHBondContact O-N 3.45Å; M65-K67 PolarHBondContact O-N 2.87Å; M65-I83 HydrophobicContact CB-CD1 3.94Å; M65-L157 HydrophobicContact CG-CB 3.97Å; M65-L157 HydrophobicContact CG-CD1 4.42Å; M65-L157 HydrophobicContact SD-CB 4.37Å; M65-A158 HydrophobicContact SD-CB 4.18Å; M65-L180 WeakPolarHBondContact CE-O 3.33Å; M65-I181 HydrophobicContact CE-CB 4.38Å; M65-I181 HydrophobicContact CE-CG2 3.91Å; M65-I181 HydrophobicContact SD-CB 3.84Å; M65-I181 HydrophobicContact SD-CG2 3.8Å; M65-R182 HydrophobicContact CB-CG 4.04Å; M65-R182 WeakPolarHBondContact O-CG 3.06Å; M65-R182 PolarHBondContact O-NH1 3.36Å
66	L	97.5	Very high	93.7	Very high	29 Å²	29	59.5 Å²	59.5	15%	0.152	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-71.7	-11.1	174	-54.7	179.5	0	0	0	113.2	E63 R64 P80 I83 Q84	E63-L66 HydrophobicContact CB-CD1 4.07Å; E63-L66 HydrophobicContact CG-CD1 4.26Å; E63-L66 WeakPolarHBondContact O-CB 3.49Å; E63-L66 VanDerWaalsContact O-CG 3.29Å; E63-L66 WeakPolarHBondContact O-CG 3.5Å; E63-L66 PolarHBondContact O-N 2.86Å; R64-L66 PolarHBondContact O-N 2.9Å; L66-P80 HydrophobicContact CB-CB 4.03Å; L66-P80 HydrophobicContact CD2-CB 4.02Å; L66-P80 WeakPolarHBondContact CD2-O 3.25Å; L66-P80 VanDerWaalsContact O-CG 3.24Å; L66-P80 WeakPolarHBondContact O-CG 3.4Å; L66-I83 HydrophobicContact CD2-CD1 3.77Å; L66-I83 HydrophobicContact CD2-CG1 3.52Å; L66-Q84 HydrophobicContact CD1-CB 4.48Å; L66-Q84 HydrophobicContact CD2-CB 4.04Å
67	K	97.8	Very high	93.6	Very high	96 Å²	96	62.1 Å²	62.1	42%	0.417	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-78.6	-23.5	-176.1	-65.8	-177.3	179.2	178.3	0	113.8	R64 M65 N148 Y150	R64-K67 WeakPolarHBondContact O-CB 3.43Å; R64-K67 WeakPolarHBondContact O-CG 3.31Å; R64-K67 PolarHBondContact O-N 3.29Å; R64-K67 VanDerWaalsContact O-N 3.12Å; M65-K67 PolarHBondContact O-N 2.87Å; K67-N148 PolarHBondContact O-ND2 3.46Å; K67-Y150 HydrophobicContact CB-CD1 4.29Å; K67-Y150 HydrophobicContact CB-CD2 3.8Å; K67-Y150 HydrophobicContact CB-CG 3.63Å; K67-Y150 HydrophobicContact CD-CD1 3.94Å; K67-Y150 HydrophobicContact CD-CE1 4.16Å; K67-Y150 HydrophobicContact CD-CG 4.13Å; K67-Y150 HydrophobicContact CG-CG 4.47Å
68	H	97.3	Very high	93.4	Very high	1 Å²	1	60 Å²	60	1%	0.005	27%	0.273	C	S	.	.			trans	-70.1	126.4	169.4	172.3	67.5	0	0	0	108.8	E78 F146 T151 C154 R182	H68-E78 IonicContact CD2-OE2 3.56Å; H68-E78 IonicContact NE2-OE2 3.94Å; H68-F146 AromaticContact CD2-CE2 3.92Å; H68-F146 AromaticContact CE1-CD2 3.68Å; H68-F146 AromaticContact CE1-CE2 3.4Å; H68-F146 VanDerWaalsContact CE1-CE2 3.4Å; H68-F146 WeakPolarHBondContact CE1-CE2 3.35Å; H68-F146 PolarHBondContact CE1-O 3.27Å; H68-F146 VanDerWaalsContact CE1-O 3.27Å; H68-F146 AromaticContact ND1-CE2 3.99Å; H68-F146 AromaticContact NE2-CE2 3.34Å; H68-F146 VanDerWaalsContact NE2-CE2 3.34Å; H68-F146 WeakPolarHBondContact NE2-CE2 3.43Å; H68-F146 AromaticContact NE2-CZ 3.84Å; H68-T151 PolarHBondContact ND1-OG1 2.86Å; H68-C154 HydrophobicContact CB-CB 3.66Å; H68-C154 PolarHBondContact N-SG 2.83Å; H68-R182 PolarHBondContact O-NH1 2.89Å; H68-R182 PolarHBondContact O-NH2 2.88Å
69	K	95.8	Very high	93.3	Very high	92 Å²	92	61.2 Å²	61.2	40%	0.4	28%	0.281	S	S	.	.			trans	-165	157	178.7	57.9	176.7	-175.7	166.6	0	109.4	E71 P80 N148	K69-E71 WeakPolarHBondContact CE-OE1 3.25Å; K69-E71 WeakPolarHBondContact CE-OE2 3.34Å; K69-E71 IonicContact NZ-OE2 2.92Å; K69-E71 PolarHBondContact O-N 3.22Å; K69-P80 HydrophobicContact CB-CG 3.93Å; K69-N148 PolarHBondContact N-ND2 3.18Å; K69-N148 PolarHBondContact O-ND2 3.21Å
70	H	94.5	Very high	93.2	Very high	43 Å²	43	62.2 Å²	62.2	20%	0.199	29%	0.288	C	S	.	.			trans	-71.3	113.2	173.8	-161.4	-48.9	0	0	0	109.6	W72 F73 E76 F146	H70-W72 AromaticContact CE1-CE3 3.69Å; H70-W72 AromaticContact ND1-CE3 3.78Å; H70-W72 PolarHBondContact ND1-N 2.71Å; H70-F73 WeakPolarHBondContact CB-O 3.37Å; H70-F73 VanDerWaalsContact CE1-CB 3.44Å; H70-F73 WeakPolarHBondContact CE1-CB 3.36Å; H70-F73 PolarHBondContact CE1-N 3.27Å; H70-F73 PolarHBondContact ND1-N 3.22Å; H70-E76 HydrophobicContact CB-CB 3.85Å; H70-E76 HydrophobicContact CB-CG 4.07Å; H70-E76 IonicContact CD2-OE2 2.66Å; H70-E76 PolarHBondContact CD2-OE2 3.22Å; H70-F146 HydrophobicContact CB-CB 4.49Å; H70-F146 HydrophobicContact CB-CD1 3.93Å; H70-F146 HydrophobicContact CB-CD2 3.99Å; H70-F146 HydrophobicContact CB-CE1 4.1Å; H70-F146 HydrophobicContact CB-CE2 4.18Å; H70-F146 HydrophobicContact CB-CG 3.86Å; H70-F146 HydrophobicContact CB-CZ 4.21Å; H70-F146 AromaticContact CD2-CD1 3.46Å; H70-F146 VanDerWaalsContact CD2-CD1 3.46Å; H70-F146 WeakPolarHBondContact CD2-CD1 3.5Å; H70-F146 AromaticContact CD2-CG 3.69Å; H70-F146 AromaticContact CG-CD1 3.99Å; H70-F146 AromaticContact CG-CG 3.92Å; H70-F146 VanDerWaalsContact N-CE2 3.26Å
71	E	93.4	Very high	93	Very high	77 Å²	77	67.4 Å²	67.4	36%	0.36	31%	0.312	S	S	.	.	S	Bend	trans	-79.3	-22.2	-175.2	-62.4	-66.9	167.3	0	0	112.7	K69 N148	K69-E71 WeakPolarHBondContact CE-OE1 3.25Å; K69-E71 WeakPolarHBondContact CE-OE2 3.34Å; K69-E71 IonicContact NZ-OE2 2.92Å; K69-E71 PolarHBondContact O-N 3.22Å; E71-N148 HydrophobicContact CG-CB 3.75Å; E71-N148 PolarHBondContact OE1-ND2 2.91Å
72	W	90.2	Very high	92.8	Very high	94 Å²	94	68.7 Å²	68.7	36%	0.356	32%	0.317	S	S	.	.	S	Bend	trans	-104.8	-12.2	-175.1	-45.3	-87.7	0	0	0	115.3	H70 N132 L135 Y136 F147	H70-W72 AromaticContact CE1-CE3 3.69Å; H70-W72 AromaticContact ND1-CE3 3.78Å; H70-W72 PolarHBondContact ND1-N 2.71Å; W72-N132 VanDerWaalsContact CZ2-O 3.31Å; W72-N132 WeakPolarHBondContact CZ2-O 3.29Å; W72-L135 HydrophobicContact CH2-CB 4.01Å; W72-L135 HydrophobicContact CZ2-CB 4.35Å; W72-Y136 AromaticContact CD2-CD2 3.62Å; W72-Y136 HydrophobicContact CD2-CD2 3.62Å; W72-Y136 HydrophobicContact CD2-CE2 4.38Å; W72-Y136 AromaticContact CE2-CD2 3.76Å; W72-Y136 AromaticContact CE3-CD2 3.95Å; W72-Y136 HydrophobicContact CE3-CD2 3.95Å; W72-Y136 AromaticContact CG-CD2 3.91Å; W72-Y136 HydrophobicContact CG-CD2 3.91Å; W72-Y136 HydrophobicContact CG-CE2 4.33Å; W72-Y136 HydrophobicContact CZ2-CD2 4.25Å; W72-Y136 HydrophobicContact CZ2-CG 4.47Å; W72-Y136 HydrophobicContact CZ3-CD2 4.38Å; W72-F147 WeakPolarHBondContact CH2-O 3.41Å; W72-F147 WeakPolarHBondContact CZ3-O 3.43Å
73	F	86.9	Confident	92.6	Very high	101 Å²	101	67.4 Å²	67.4	44%	0.443	31%	0.31	S	S	.	.			trans	-138.5	103.5	-176.9	-170.6	-112.6	0	0	0	108.2	H70 E75 E76	H70-F73 WeakPolarHBondContact CB-O 3.37Å; H70-F73 VanDerWaalsContact CE1-CB 3.44Å; H70-F73 WeakPolarHBondContact CE1-CB 3.36Å; H70-F73 PolarHBondContact CE1-N 3.27Å; H70-F73 PolarHBondContact ND1-N 3.22Å; F73-E75 VanDerWaalsContact C-N 3.32Å; F73-E75 VanDerWaalsContact CE1-C 3.47Å; F73-E75 HydrophobicContact CE1-CB 4.1Å; F73-E75 HydrophobicContact CZ-CB 3.99Å; F73-E76 HydrophobicContact CD1-CB 3.92Å
74	I	77.7	Confident	92.5	Very high	163 Å²	163	63.9 Å²	63.9	84%	0.836	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-23.7	-170.1	-65.1	171	0	0	0	111.7	E76	I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.04Å
75	E	81.5	Confident	92.3	Very high	167 Å²	167	63.7 Å²	63.7	78%	0.78	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	20.2	-177.5	-59.4	-172.8	169.9	0	0	112.4	F73	F73-E75 VanDerWaalsContact C-N 3.32Å; F73-E75 VanDerWaalsContact CE1-C 3.47Å; F73-E75 HydrophobicContact CE1-CB 4.1Å; F73-E75 HydrophobicContact CZ-CB 3.99Å
76	E	87.3	Confident	92	Very high	39 Å²	39	63.9 Å²	63.9	18%	0.182	30%	0.298	C	S	.	.			trans	-61.7	139.8	176.8	-169.2	54.3	-91.2	0	0	111.4	H70 F73 I74 F146	H70-E76 HydrophobicContact CB-CB 3.85Å; H70-E76 HydrophobicContact CB-CG 4.07Å; H70-E76 IonicContact CD2-OE2 2.66Å; H70-E76 PolarHBondContact CD2-OE2 3.22Å; F73-E76 HydrophobicContact CD1-CB 3.92Å; I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.04Å; E76-F146 HydrophobicContact CG-CD1 4.28Å; E76-F146 HydrophobicContact CG-CE1 3.73Å; E76-F146 HydrophobicContact CG-CZ 4.49Å
77	Q	88.4	Confident	91.9	Very high	91 Å²	91	63.3 Å²	63.3	43%	0.425	29%	0.294	S	S	.	.	S	Bend	trans	-66.9	-45.6	-179.4	-62.8	-171.7	4.4	0	0	111.2	S79 E333	Q77-S79 PolarHBondContact O-N 3.01Å; Q77-S79 VanDerWaalsContact O-N 3.07Å; Q77-E333 VanDerWaalsContact CD-OE1 3.27Å; Q77-E333 PolarHBondContact NE2-OE1 3.07Å; Q77-E333 PolarHBondContact OE1-OE1 3.42Å
78	E	91.4	Very high	91.8	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.019	29%	0.29	C	S	.	.	S	Bend	trans	-73.6	101.2	172.1	-152.4	-62.4	124.4	0	0	109.5	H68 R82 F146 R182 Y196	H68-E78 IonicContact CD2-OE2 3.56Å; H68-E78 IonicContact NE2-OE2 3.94Å; E78-R82 IonicContact OE1-NH1 3.59Å; E78-R82 PolarHBondContact OE1-NH1 2.9Å; E78-F146 HydrophobicContact CB-CE1 4.1Å; E78-F146 HydrophobicContact CB-CZ 4.14Å; E78-F146 WeakPolarHBondContact OE2-CZ 3.27Å; E78-R182 IonicContact OE1-CZ 3.77Å; E78-R182 IonicContact OE1-NE 3.33Å; E78-R182 PolarHBondContact OE1-NE 3.07Å; E78-R182 IonicContact OE1-NH2 3.82Å; E78-R182 PolarHBondContact OE1-NH2 2.82Å; E78-R182 IonicContact OE2-CZ 3.37Å; E78-R182 IonicContact OE2-NE 3.95Å; E78-R182 IonicContact OE2-NH2 3.93Å; E78-R182 PolarHBondContact OE2-NH2 3.47Å; E78-Y196 HydrophobicContact CB-CD1 3.88Å; E78-Y196 HydrophobicContact CB-CD2 3.88Å; E78-Y196 HydrophobicContact CB-CE1 4.23Å; E78-Y196 HydrophobicContact CB-CE2 4.22Å; E78-Y196 HydrophobicContact CB-CG 3.69Å; E78-Y196 HydrophobicContact CG-CD2 4.16Å; E78-Y196 HydrophobicContact CG-CG 3.93Å
79	S	94.2	Very high	91.7	Very high	25 Å²	25	66.1 Å²	66.1	18%	0.175	31%	0.305	C	S	.	.			trans	-136.1	157.8	-174.7	72.2	0	0	0	0	112.5	Q77 H81 R82	Q77-S79 PolarHBondContact O-N 3.01Å; Q77-S79 VanDerWaalsContact O-N 3.07Å; S79-H81 PolarHBondContact O-N 3.48Å; S79-R82 WeakPolarHBondContact O-CB 3.32Å; S79-R82 WeakPolarHBondContact O-CG 3.19Å; S79-R82 PolarHBondContact O-N 3.5Å
80	P	95.4	Very high	91.6	Very high	24 Å²	24	62.6 Å²	62.6	16%	0.156	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.6	176.1	-28.2	36.4	0	0	0	113.9	L66 K69 R82 Q84	L66-P80 HydrophobicContact CB-CB 4.03Å; L66-P80 HydrophobicContact CD2-CB 4.02Å; L66-P80 WeakPolarHBondContact CD2-O 3.25Å; L66-P80 VanDerWaalsContact O-CG 3.24Å; L66-P80 WeakPolarHBondContact O-CG 3.4Å; K69-P80 HydrophobicContact CB-CG 3.93Å; P80-R82 PolarHBondContact O-N 2.85Å; P80-Q84 WeakPolarHBondContact O-CB 3.38Å; P80-Q84 PolarHBondContact O-N 3.38Å
81	H	93.8	Very high	91.7	Very high	109 Å²	109	64.5 Å²	64.5	51%	0.505	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-25.1	-179.6	-64.2	100	0	0	0	112.9	S79 Q84 Q85	S79-H81 PolarHBondContact O-N 3.48Å; H81-Q84 PolarHBondContact O-N 2.95Å; H81-Q85 HydrophobicContact CB-CG 4.31Å; H81-Q85 VanDerWaalsContact O-CB 3.26Å; H81-Q85 WeakPolarHBondContact O-CB 3.17Å; H81-Q85 VanDerWaalsContact O-CG 3.26Å; H81-Q85 WeakPolarHBondContact O-CG 3.49Å; H81-Q85 PolarHBondContact O-N 2.89Å
82	R	92.4	Very high	91.8	Very high	40 Å²	40	67.1 Å²	67.1	15%	0.151	32%	0.315	C	S	.	.	H	α-helix	trans	-56.8	-57.7	-177.6	-66.1	179	65.6	-119.4	1.3	112.1	E78 S79 P80 A86 F350	E78-R82 IonicContact OE1-NH1 3.59Å; E78-R82 PolarHBondContact OE1-NH1 2.9Å; S79-R82 WeakPolarHBondContact O-CB 3.32Å; S79-R82 WeakPolarHBondContact O-CG 3.19Å; S79-R82 PolarHBondContact O-N 3.5Å; P80-R82 PolarHBondContact O-N 2.85Å; R82-A86 WeakPolarHBondContact O-CB 3.38Å; R82-A86 PolarHBondContact O-N 3.46Å; R82-F350 HydrophobicContact CG-CB 4.35Å
83	I	95	Very high	92.1	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-76.7	-29.7	178.2	67.6	162.6	0	0	0	112.4	Y61 M65 L66 F87 R182	Y61-I83 HydrophobicContact CD2-CD1 4.24Å; Y61-I83 HydrophobicContact CE2-CB 4.35Å; Y61-I83 HydrophobicContact CE2-CD1 3.98Å; Y61-I83 HydrophobicContact CE2-CG1 4.07Å; M65-I83 HydrophobicContact CB-CD1 3.94Å; L66-I83 HydrophobicContact CD2-CD1 3.77Å; L66-I83 HydrophobicContact CD2-CG1 3.52Å; I83-F87 VanDerWaalsContact O-CB 3.25Å; I83-F87 WeakPolarHBondContact O-CB 3.47Å; I83-F87 PolarHBondContact O-N 2.8Å; I83-R182 HydrophobicContact CD1-CG 3.78Å; I83-R182 HydrophobicContact CG1-CG 4.07Å; I83-R182 HydrophobicContact CG2-CB 4.28Å; I83-R182 HydrophobicContact CG2-CG 4.17Å
84	Q	95.3	Very high	92.5	Very high	50 Å²	50	67.5 Å²	67.5	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-49.3	-179.2	-177.2	-177.3	61.3	0	0	111.4	L66 P80 H81 F87 H88	L66-Q84 HydrophobicContact CD1-CB 4.48Å; L66-Q84 HydrophobicContact CD2-CB 4.04Å; P80-Q84 WeakPolarHBondContact O-CB 3.38Å; P80-Q84 PolarHBondContact O-N 3.38Å; H81-Q84 PolarHBondContact O-N 2.95Å; Q84-F87 PolarHBondContact O-N 2.78Å; Q84-H88 VanDerWaalsContact O-CG 3.25Å; Q84-H88 PolarHBondContact O-N 2.93Å
85	Q	94.6	Very high	93.3	Very high	90 Å²	90	63 Å²	63	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-66.6	-40.7	-179.5	-68.9	-60.1	-26.8	0	0	111.1	H81 H88 R89	H81-Q85 HydrophobicContact CB-CG 4.31Å; H81-Q85 VanDerWaalsContact O-CB 3.26Å; H81-Q85 WeakPolarHBondContact O-CB 3.17Å; H81-Q85 VanDerWaalsContact O-CG 3.26Å; H81-Q85 WeakPolarHBondContact O-CG 3.49Å; H81-Q85 PolarHBondContact O-N 2.89Å; Q85-H88 PolarHBondContact O-N 3.2Å; Q85-R89 WeakPolarHBondContact O-CB 3.35Å; Q85-R89 PolarHBondContact O-N 3.34Å
86	A	91.7	Very high	93.9	Very high	4 Å²	4	56 Å²	56	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-40.2	178.7	0	0	0	0	0	112.4	R82 R89 C90 L351	R82-A86 WeakPolarHBondContact O-CB 3.38Å; R82-A86 PolarHBondContact O-N 3.46Å; A86-R89 PolarHBondContact O-N 3.17Å; A86-C90 PolarHBondContact O-N 2.86Å; A86-C90 PolarHBondContact O-SG 2.68Å; A86-L351 HydrophobicContact CB-CD1 4.13Å; A86-L351 HydrophobicContact CB-CD2 3.09Å; A86-L351 HydrophobicContact CB-CG 3.49Å; A86-L351 VanDerWaalsContact CB-CG 3.49Å
87	F	95.5	Very high	94.3	Very high	17 Å²	17	58.8 Å²	58.8	8%	0.075	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-43.1	172.4	-178.2	-109.3	0	0	0	112.1	L59 Y61 I83 Q84 R89 C90 I91 V96 R101 L180	L59-F87 HydrophobicContact CD2-CD2 4.46Å; L59-F87 HydrophobicContact CD2-CE2 4.12Å; Y61-F87 HydrophobicContact CD1-CB 4.37Å; Y61-F87 AromaticContact CD1-CD1 3.5Å; Y61-F87 HydrophobicContact CD1-CD1 3.5Å; Y61-F87 VanDerWaalsContact CD1-CD1 3.5Å; Y61-F87 AromaticContact CD1-CD2 3.82Å; Y61-F87 HydrophobicContact CD1-CD2 3.82Å; Y61-F87 AromaticContact CD1-CE1 3.6Å; Y61-F87 HydrophobicContact CD1-CE1 3.6Å; Y61-F87 AromaticContact CD1-CE2 3.93Å; Y61-F87 HydrophobicContact CD1-CE2 3.93Å; Y61-F87 AromaticContact CD1-CG 3.61Å; Y61-F87 HydrophobicContact CD1-CG 3.61Å; Y61-F87 AromaticContact CD1-CZ 3.85Å; Y61-F87 HydrophobicContact CD1-CZ 3.85Å; Y61-F87 HydrophobicContact CD2-CB 3.58Å; Y61-F87 HydrophobicContact CD2-CD1 4.25Å; Y61-F87 HydrophobicContact CD2-CD2 4.05Å; Y61-F87 AromaticContact CD2-CG 3.7Å; Y61-F87 HydrophobicContact CD2-CG 3.7Å; Y61-F87 HydrophobicContact CE1-CB 4.4Å; Y61-F87 AromaticContact CE1-CD1 3.37Å; Y61-F87 HydrophobicContact CE1-CD1 3.37Å; Y61-F87 HydrophobicContact CE1-CD2 4.49Å; Y61-F87 AromaticContact CE1-CE1 3.67Å; Y61-F87 HydrophobicContact CE1-CE1 3.67Å; Y61-F87 AromaticContact CE1-CG 3.84Å; Y61-F87 HydrophobicContact CE1-CG 3.84Å; Y61-F87 HydrophobicContact CE1-CZ 4.38Å; Y61-F87 HydrophobicContact CE2-CB 3.59Å; Y61-F87 HydrophobicContact CE2-CD1 4.14Å; Y61-F87 AromaticContact CE2-CG 3.9Å; Y61-F87 HydrophobicContact CE2-CG 3.9Å; Y61-F87 HydrophobicContact CG-CB 3.97Å; Y61-F87 AromaticContact CG-CD1 3.94Å; Y61-F87 HydrophobicContact CG-CD1 3.94Å; Y61-F87 AromaticContact CG-CD2 3.56Å; Y61-F87 HydrophobicContact CG-CD2 3.56Å; Y61-F87 HydrophobicContact CG-CE1 4.34Å; Y61-F87 HydrophobicContact CG-CE2 4.01Å; Y61-F87 AromaticContact CG-CG 3.53Å; Y61-F87 HydrophobicContact CG-CG 3.53Å; Y61-F87 HydrophobicContact CG-CZ 4.4Å; Y61-F87 AromaticContact CZ-CD1 3.7Å; Y61-F87 AromaticContact CZ-CG 3.97Å; I83-F87 VanDerWaalsContact O-CB 3.25Å; I83-F87 WeakPolarHBondContact O-CB 3.47Å; I83-F87 PolarHBondContact O-N 2.8Å; Q84-F87 PolarHBondContact O-N 2.78Å; F87-R89 VanDerWaalsContact C-N 3.32Å; F87-R89 PolarHBondContact O-N 3.49Å; F87-C90 WeakPolarHBondContact O-CB 3.35Å; F87-C90 PolarHBondContact O-N 3.46Å; F87-I91 HydrophobicContact CD1-CD1 3.99Å; F87-I91 HydrophobicContact CE1-CD1 3.52Å; F87-I91 HydrophobicContact CE1-CG1 4.26Å; F87-I91 HydrophobicContact CZ-CD1 3.96Å; F87-I91 HydrophobicContact CZ-CG1 4.29Å; F87-I91 WeakPolarHBondContact O-CG1 3.45Å; F87-I91 PolarHBondContact O-N 3.24Å; F87-V96 HydrophobicContact CD2-CG2 4.14Å; F87-V96 HydrophobicContact CE2-CG1 3.96Å; F87-V96 HydrophobicContact CE2-CG2 3.69Å; F87-V96 HydrophobicContact CZ-CG1 4.13Å; F87-V96 HydrophobicContact CZ-CG2 4.27Å; F87-R101 VanDerWaalsContact CZ-NH1 3.31Å; F87-L180 HydrophobicContact CB-CD1 3.84Å; F87-L180 HydrophobicContact CD2-CD1 3.96Å; F87-L180 HydrophobicContact CG-CD1 4.4Å
88	H	96.3	Very high	94.6	Very high	71 Å²	71	63.7 Å²	63.7	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-42.8	173.2	-71.3	165.7	0	0	0	112	Q84 Q85 C90 I91 E92	Q84-H88 VanDerWaalsContact O-CG 3.25Å; Q84-H88 PolarHBondContact O-N 2.93Å; Q85-H88 PolarHBondContact O-N 3.2Å; H88-C90 VanDerWaalsContact C-N 3.33Å; H88-C90 PolarHBondContact O-N 3.23Å; H88-I91 WeakPolarHBondContact O-CA 3.49Å; H88-I91 WeakPolarHBondContact O-CB 3.18Å; H88-I91 PolarHBondContact O-N 2.79Å; H88-E92 WeakPolarHBondContact O-CG 3.36Å; H88-E92 PolarHBondContact O-N 2.92Å
89	R	94	Very high	94.8	Very high	86 Å²	86	65 Å²	65	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176.1	-176.6	57.8	-180	-159.6	1.9	111.5	Q85 A86 F87 I91 E92 E93 I349	Q85-R89 WeakPolarHBondContact O-CB 3.35Å; Q85-R89 PolarHBondContact O-N 3.34Å; A86-R89 PolarHBondContact O-N 3.17Å; F87-R89 VanDerWaalsContact C-N 3.32Å; F87-R89 PolarHBondContact O-N 3.49Å; R89-I91 PolarHBondContact O-N 2.82Å; R89-E92 IonicContact NH1-OE2 2.88Å; R89-E92 PolarHBondContact O-N 3.47Å; R89-E93 HydrophobicContact CG-CG 4.44Å; R89-E93 IonicContact CZ-OE1 3.09Å; R89-E93 IonicContact NE-OE1 3.55Å; R89-E93 PolarHBondContact NE-OE1 2.95Å; R89-E93 IonicContact NH1-OE1 3.36Å; R89-E93 IonicContact NH2-OE1 2.67Å; R89-E93 PolarHBondContact NH2-OE1 2.8Å; R89-E93 WeakPolarHBondContact O-CG 3.31Å; R89-E93 PolarHBondContact O-N 2.53Å; R89-I349 HydrophobicContact CG-CD1 4.41Å
90	C	93.9	Very high	95	Very high	17 Å²	17	65.7 Å²	65.7	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-31.8	173.8	-65.5	0	0	0	0	112.7	A86 F87 H88 N94 L95 V96	A86-C90 PolarHBondContact O-N 2.86Å; A86-C90 PolarHBondContact O-SG 2.68Å; F87-C90 WeakPolarHBondContact O-CB 3.35Å; F87-C90 PolarHBondContact O-N 3.46Å; H88-C90 VanDerWaalsContact C-N 3.33Å; H88-C90 PolarHBondContact O-N 3.23Å; C90-N94 PolarHBondContact O-N 3.04Å; C90-L95 HydrophobicContact CB-CB 4.26Å; C90-L95 WeakPolarHBondContact O-CB 3.44Å; C90-L95 PolarHBondContact O-N 3.42Å; C90-V96 HydrophobicContact CB-CG2 3.62Å; C90-V96 PolarHBondContact O-N 3.34Å
91	I	96.5	Very high	95	Very high	83 Å²	83	70.2 Å²	70.2	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-69.1	-49.1	173.2	-66.8	171.9	0	0	0	110.2	F87 H88 R89 E93 N94 V96	F87-I91 HydrophobicContact CD1-CD1 3.99Å; F87-I91 HydrophobicContact CE1-CD1 3.52Å; F87-I91 HydrophobicContact CE1-CG1 4.26Å; F87-I91 HydrophobicContact CZ-CD1 3.96Å; F87-I91 HydrophobicContact CZ-CG1 4.29Å; F87-I91 WeakPolarHBondContact O-CG1 3.45Å; F87-I91 PolarHBondContact O-N 3.24Å; H88-I91 WeakPolarHBondContact O-CA 3.49Å; H88-I91 WeakPolarHBondContact O-CB 3.18Å; H88-I91 PolarHBondContact O-N 2.79Å; R89-I91 PolarHBondContact O-N 2.82Å; I91-E93 PolarHBondContact O-N 2.89Å; I91-N94 PolarHBondContact O-N 3.46Å; I91-V96 HydrophobicContact CG1-CB 4.18Å; I91-V96 HydrophobicContact CG1-CG2 3.69Å
92	E	96.9	Very high	95.2	Very high	133 Å²	133	65.4 Å²	65.4	62%	0.621	31%	0.312	S	S	*	.	H	α-helix	trans	-57.2	-38.4	-179.9	-70.3	178.1	168.7	0	0	111.9	H88 R89 N94	H88-E92 WeakPolarHBondContact O-CG 3.36Å; H88-E92 PolarHBondContact O-N 2.92Å; R89-E92 IonicContact NH1-OE2 2.88Å; R89-E92 PolarHBondContact O-N 3.47Å; E92-N94 VanDerWaalsContact C-N 3.26Å; E92-N94 PolarHBondContact O-N 3.32Å
93	E	94.8	Very high	95.4	Very high	93 Å²	93	67.7 Å²	67.7	44%	0.435	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	6.9	177.3	-63.4	-61.4	161.7	0	0	113.9	R89 I91 L95	R89-E93 HydrophobicContact CG-CG 4.44Å; R89-E93 IonicContact CZ-OE1 3.09Å; R89-E93 IonicContact NE-OE1 3.55Å; R89-E93 PolarHBondContact NE-OE1 2.95Å; R89-E93 IonicContact NH1-OE1 3.36Å; R89-E93 IonicContact NH2-OE1 2.67Å; R89-E93 PolarHBondContact NH2-OE1 2.8Å; R89-E93 WeakPolarHBondContact O-CG 3.31Å; R89-E93 PolarHBondContact O-N 2.53Å; I91-E93 PolarHBondContact O-N 2.89Å; E93-L95 HydrophobicContact CB-CD1 4.09Å; E93-L95 HydrophobicContact CB-CG 3.9Å; E93-L95 PolarHBondContact O-N 3.28Å; E93-L95 VanDerWaalsContact O-N 3.15Å
94	N	95.4	Very high	95.5	Very high	109 Å²	109	68 Å²	68	58%	0.583	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	30.2	-177.5	-58.5	-74.3	0	0	0	114.1	C90 I91 E92 S97 R98	C90-N94 PolarHBondContact O-N 3.04Å; I91-N94 PolarHBondContact O-N 3.46Å; E92-N94 VanDerWaalsContact C-N 3.26Å; E92-N94 PolarHBondContact O-N 3.32Å; N94-S97 PolarHBondContact O-OG 3.37Å; N94-R98 VanDerWaalsContact O-CD 3.28Å; N94-R98 WeakPolarHBondContact O-CD 3.44Å; N94-R98 WeakPolarHBondContact O-CG 3.38Å
95	L	94.4	Very high	95.6	Very high	70 Å²	70	67.7 Å²	67.7	37%	0.366	34%	0.338	S	S	.	.			trans	-82.8	-37.1	177.7	-61	177.3	0	0	0	111.3	C90 E93 S97 R98 C99	C90-L95 HydrophobicContact CB-CB 4.26Å; C90-L95 WeakPolarHBondContact O-CB 3.44Å; C90-L95 PolarHBondContact O-N 3.42Å; E93-L95 HydrophobicContact CB-CD1 4.09Å; E93-L95 HydrophobicContact CB-CG 3.9Å; E93-L95 PolarHBondContact O-N 3.28Å; E93-L95 VanDerWaalsContact O-N 3.15Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.07Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.31Å; L95-C99 PolarHBondContact O-N 3.05Å; L95-C99 PolarHBondContact O-SG 2.94Å
96	V	95	Very high	95.8	Very high	20 Å²	20	67.3 Å²	67.3	12%	0.121	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-61	-40	-178.8	178.3	0	0	0	0	111.7	L59 F87 C90 I91 R98 C99	L59-V96 HydrophobicContact CD2-CB 4.26Å; L59-V96 HydrophobicContact CD2-CG1 4.11Å; L59-V96 HydrophobicContact CD2-CG2 3.83Å; F87-V96 HydrophobicContact CD2-CG2 4.14Å; F87-V96 HydrophobicContact CE2-CG1 3.96Å; F87-V96 HydrophobicContact CE2-CG2 3.69Å; F87-V96 HydrophobicContact CZ-CG1 4.13Å; F87-V96 HydrophobicContact CZ-CG2 4.27Å; C90-V96 HydrophobicContact CB-CG2 3.62Å; C90-V96 PolarHBondContact O-N 3.34Å; I91-V96 HydrophobicContact CG1-CB 4.18Å; I91-V96 HydrophobicContact CG1-CG2 3.69Å; V96-R98 PolarHBondContact O-N 3.18Å; V96-C99 PolarHBondContact O-N 3.39Å
97	S	95.1	Very high	96.1	Very high	97 Å²	97	67.8 Å²	67.8	68%	0.678	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-70.1	-14.7	178.9	54.1	0	0	0	0	113.8	N94 L95	N94-S97 PolarHBondContact O-OG 3.37Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.07Å
98	R	95	Very high	96.2	Very high	194 Å²	194	69.2 Å²	69.2	73%	0.732	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-93.2	-8.4	175.7	-64.2	167.6	56.9	-167.8	-3.7	112.9	N94 L95 V96	N94-R98 VanDerWaalsContact O-CD 3.28Å; N94-R98 WeakPolarHBondContact O-CD 3.44Å; N94-R98 WeakPolarHBondContact O-CG 3.38Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.31Å; V96-R98 PolarHBondContact O-N 3.18Å
99	C	96.2	Very high	96.3	Very high	32 Å²	32	69.3 Å²	69.3	22%	0.216	36%	0.358	C	S	.	.	S	Bend	trans	-103.2	154.1	-179.9	-59.9	0	0	0	0	110.9	T57 L59 L95 V96	T57-C99 CarbonylContact O-C 3.58Å; T57-C99 VanDerWaalsContact O-CA 3.31Å; T57-C99 WeakPolarHBondContact O-CA 3.19Å; T57-C99 WeakPolarHBondContact O-CB 3.32Å; L59-C99 HydrophobicContact CB-CB 3.63Å; L59-C99 HydrophobicContact CD2-CB 4.38Å; L95-C99 PolarHBondContact O-N 3.05Å; L95-C99 PolarHBondContact O-SG 2.94Å; V96-C99 PolarHBondContact O-N 3.39Å
100	I	96.8	Very high	96.5	Very high	38 Å²	38	71.3 Å²	71.3	20%	0.195	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.2	165.6	-65.5	163.5	0	0	0	108.1	L51 T57 G58 L59 V102 L174	L51-I100 HydrophobicContact CD1-CD1 3.82Å; L51-I100 HydrophobicContact CD1-CG2 4.15Å; L51-I100 HydrophobicContact CD2-CD1 3.42Å; L51-I100 VanDerWaalsContact CD2-CD1 3.42Å; L51-I100 HydrophobicContact CD2-CG1 4.18Å; L51-I100 HydrophobicContact CD2-CG2 4.19Å; L51-I100 HydrophobicContact CG-CD1 4.17Å; T57-I100 PolarHBondContact O-N 3.28Å; G58-I100 CarbonylContact C-O 3.42Å; G58-I100 WeakPolarHBondContact CA-O 3.29Å; L59-I100 PolarHBondContact N-O 3.32Å; I100-V102 PolarHBondContact O-N 3.33Å; I100-L174 HydrophobicContact CB-CD2 4.17Å; I100-L174 HydrophobicContact CD1-CD2 3.52Å; I100-L174 HydrophobicContact CG1-CD2 4.43Å
101	R	96.8	Very high	96.7	Very high	120 Å²	120	71.6 Å²	71.6	45%	0.453	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	118.4	174.6	-67.6	-61.8	-61.1	-88.2	0.9	109.9	Y61 F87	Y61-R101 PolarHBondContact O-NH2 3.03Å; Y61-R101 VanDerWaalsContact O-NH2 3.13Å; F87-R101 VanDerWaalsContact CZ-NH1 3.31Å
102	V	97	Very high	96.8	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.2	175	176.5	0	0	0	0	108	L59 V60 I100 H164 L165 L168 L174	L59-V102 PolarHBondContact O-N 3.16Å; V60-V102 HydrophobicContact CG2-CB 3.65Å; V60-V102 HydrophobicContact CG2-CG1 3.77Å; I100-V102 PolarHBondContact O-N 3.33Å; V102-H164 VanDerWaalsContact CG1-CD2 3.5Å; V102-H164 WeakPolarHBondContact CG1-CD2 3.42Å; V102-L165 HydrophobicContact CB-CD1 4.38Å; V102-L165 HydrophobicContact CG2-CD1 3.96Å; V102-L168 HydrophobicContact CB-CD1 4.42Å; V102-L168 HydrophobicContact CG1-CD1 3.75Å; V102-L168 HydrophobicContact CG2-CD1 3.73Å; V102-L174 HydrophobicContact CG2-CD1 3.94Å
103	P	97.5	Very high	96.9	Very high	88 Å²	88	64.1 Å²	64.1	57%	0.571	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-69.1	143.6	-179	28.4	-34.1	0	0	0	111.1
104	A	97.7	Very high	97	Very high	9 Å²	9	62.6 Å²	62.6	7%	0.074	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-75.4	131.2	170.5	0	0	0	0	0	110.7	V60 D62 R64 L157 S161	V60-A104 HydrophobicContact CG1-CB 4.07Å; D62-A104 HydrophobicContact CB-CB 3.53Å; R64-A104 PolarHBondContact NH2-O 3.27Å; A104-L157 HydrophobicContact CB-CD2 4.11Å; A104-S161 WeakPolarHBondContact CA-OG 3.43Å; A104-S161 WeakPolarHBondContact CB-OG 3.42Å
105	C	96.3	Very high	97.2	Very high	43 Å²	43	58.3 Å²	58.3	29%	0.291	32%	0.315	S	S	.	.			trans	-125.1	147.8	175.3	58.1	0	0	0	0	109.7	G160 S161 H164	C105-G160 CarbonylContact O-C 3.32Å; C105-G160 VanDerWaalsContact O-C 3.32Å; C105-G160 WeakPolarHBondContact O-CA 3.17Å; C105-S161 PolarHBondContact O-N 3.35Å; C105-H164 WeakPolarHBondContact SG-CB 3.31Å
106	P	98.4	Very high	97.4	Very high	83 Å²	83	55.1 Å²	55.1	54%	0.539	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-70.6	142.3	175.1	29.9	-33.6	0	0	0	110.4	T156	P106-T156 CarbonylContact C-O 3.57Å; P106-T156 WeakPolarHBondContact CA-O 3.48Å
107	I	98.4	Very high	97.5	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.067	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.8	150.6	169.2	-164	62.5	0	0	0	110.8	D111 L112 T156 A159 K163 I204	I107-D111 HydrophobicContact CD1-CB 3.68Å; I107-D111 HydrophobicContact CG1-CB 3.8Å; I107-L112 HydrophobicContact CG1-CD2 4.44Å; I107-L112 HydrophobicContact CG1-CG 4.44Å; I107-L112 HydrophobicContact CG2-CD1 3.96Å; I107-L112 HydrophobicContact CG2-CD2 3.63Å; I107-L112 HydrophobicContact CG2-CG 3.68Å; I107-T156 HydrophobicContact CG2-CG2 3.98Å; I107-T156 PolarHBondContact N-O 3.46Å; I107-A159 HydrophobicContact CB-CB 3.9Å; I107-A159 HydrophobicContact CG1-CB 4.14Å; I107-A159 HydrophobicContact CG2-CB 3.95Å; I107-K163 HydrophobicContact CD1-CB 3.99Å; I107-K163 HydrophobicContact CD1-CD 3.43Å; I107-K163 VanDerWaalsContact CD1-CD 3.43Å; I107-K163 HydrophobicContact CD1-CG 4.34Å; I107-I204 HydrophobicContact CD1-CG2 3.9Å; I107-I204 HydrophobicContact CG1-CG2 3.95Å
108	S	98	Very high	97.7	Very high	48 Å²	48	59.2 Å²	59.2	34%	0.336	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-77.2	152.8	172.9	74.8	0	0	0	0	111.3	D110 D111 L112	S108-D110 VanDerWaalsContact C-N 3.28Å; S108-D110 PolarHBondContact O-N 2.84Å; S108-D111 PolarHBondContact O-N 3.1Å; S108-D111 WeakPolarHBondContact OG-CB 3.35Å; S108-D111 PolarHBondContact OG-N 2.88Å; S108-D111 PolarHBondContact OG-OD2 3.01Å; S108-L112 WeakPolarHBondContact O-CG 3.33Å; S108-L112 PolarHBondContact O-N 3.37Å; S108-L112 VanDerWaalsContact O-N 3.07Å
109	E	98.2	Very high	97.9	Very high	72 Å²	72	54.1 Å²	54.1	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-34.6	173.9	-72.2	173.8	-134.7	0	0	111.8	D111 L112 T113 V121 K125 W152	E109-D111 PolarHBondContact O-N 3.38Å; E109-L112 WeakPolarHBondContact O-CB 3.5Å; E109-L112 PolarHBondContact O-N 3.17Å; E109-T113 WeakPolarHBondContact O-CG2 3.39Å; E109-T113 PolarHBondContact O-N 3.15Å; E109-T113 PolarHBondContact O-OG1 2.67Å; E109-V121 HydrophobicContact CG-CG1 4.39Å; E109-K125 VanDerWaalsContact OE1-CE 3.24Å; E109-K125 WeakPolarHBondContact OE1-CE 3.36Å; E109-K125 IonicContact OE1-NZ 3.53Å; E109-K125 PolarHBondContact OE1-NZ 3.21Å; E109-K125 IonicContact OE2-NZ 3.3Å; E109-K125 PolarHBondContact OE2-NZ 3.28Å; E109-W152 HydrophobicContact CG-CH2 4.16Å; E109-W152 HydrophobicContact CG-CZ2 4.45Å
110	D	97.6	Very high	98	Very high	129 Å²	129	52.8 Å²	52.8	69%	0.69	29%	0.29	S	S	*	.	H	α-helix	trans	-58.8	-47.3	174.7	-68	-20.1	0	0	0	110.9	S108 L112 T113 L114	S108-D110 VanDerWaalsContact C-N 3.28Å; S108-D110 PolarHBondContact O-N 2.84Å; D110-L112 PolarHBondContact O-N 3.22Å; D110-T113 PolarHBondContact O-N 3.28Å; D110-T113 PolarHBondContact O-OG1 2.87Å; D110-L114 PolarHBondContact O-N 2.71Å
111	D	98	Very high	98.1	Very high	23 Å²	23	51 Å²	51	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-40.4	175.8	-71.3	-48.4	0	0	0	111.9	I107 S108 E109 T113 L114 K163 I204 S208	I107-D111 HydrophobicContact CD1-CB 3.68Å; I107-D111 HydrophobicContact CG1-CB 3.8Å; S108-D111 PolarHBondContact O-N 3.1Å; S108-D111 WeakPolarHBondContact OG-CB 3.35Å; S108-D111 PolarHBondContact OG-N 2.88Å; S108-D111 PolarHBondContact OG-OD2 3.01Å; E109-D111 PolarHBondContact O-N 3.38Å; D111-T113 VanDerWaalsContact C-N 3.25Å; D111-T113 PolarHBondContact O-N 2.72Å; D111-L114 WeakPolarHBondContact O-CB 3.48Å; D111-L114 PolarHBondContact O-N 2.79Å; D111-K163 WeakPolarHBondContact OD2-CD 3.36Å; D111-K163 VanDerWaalsContact OD2-CE 3.24Å; D111-K163 WeakPolarHBondContact OD2-CE 3.31Å; D111-K163 IonicContact OD2-NZ 2.63Å; D111-I204 HydrophobicContact CB-CG2 4.06Å; D111-S208 VanDerWaalsContact OD1-CB 3.28Å; D111-S208 WeakPolarHBondContact OD1-CB 3.43Å; D111-S208 PolarHBondContact OD1-OG 3.45Å
112	L	98.7	Very high	98.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-41.9	175.1	-72	174.5	0	0	0	111.2	I107 S108 E109 D110 L114 V115 H116 V121 W152 T156 F199 I204	I107-L112 HydrophobicContact CG1-CD2 4.44Å; I107-L112 HydrophobicContact CG1-CG 4.44Å; I107-L112 HydrophobicContact CG2-CD1 3.96Å; I107-L112 HydrophobicContact CG2-CD2 3.63Å; I107-L112 HydrophobicContact CG2-CG 3.68Å; S108-L112 WeakPolarHBondContact O-CG 3.33Å; S108-L112 PolarHBondContact O-N 3.37Å; S108-L112 VanDerWaalsContact O-N 3.07Å; E109-L112 WeakPolarHBondContact O-CB 3.5Å; E109-L112 PolarHBondContact O-N 3.17Å; D110-L112 PolarHBondContact O-N 3.22Å; L112-L114 PolarHBondContact O-N 3.4Å; L112-V115 PolarHBondContact O-N 3.14Å; L112-H116 WeakPolarHBondContact O-CB 3.29Å; L112-H116 PolarHBondContact O-N 2.9Å; L112-V121 HydrophobicContact CB-CG1 4.28Å; L112-V121 HydrophobicContact CB-CG2 3.82Å; L112-V121 HydrophobicContact CD1-CG1 3.8Å; L112-W152 HydrophobicContact CD1-CH2 3.76Å; L112-W152 HydrophobicContact CD1-CZ3 3.97Å; L112-T156 HydrophobicContact CD1-CG2 4.47Å; L112-F199 HydrophobicContact CD1-CD2 4.4Å; L112-F199 HydrophobicContact CD1-CE1 4.44Å; L112-F199 HydrophobicContact CD1-CE2 3.93Å; L112-F199 HydrophobicContact CD1-CZ 3.97Å; L112-F199 HydrophobicContact CD2-CB 4.06Å; L112-F199 HydrophobicContact CD2-CD1 3.82Å; L112-F199 HydrophobicContact CD2-CD2 3.64Å; L112-F199 HydrophobicContact CD2-CE1 4.15Å; L112-F199 HydrophobicContact CD2-CE2 4Å; L112-F199 HydrophobicContact CD2-CG 3.57Å; L112-F199 HydrophobicContact CD2-CZ 4.25Å; L112-I204 HydrophobicContact CD2-CD1 3.57Å
113	T	98.4	Very high	98.2	Very high	58 Å²	58	51.4 Å²	51.4	36%	0.356	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-3.4	-177.3	59	0	0	0	0	115.1	E109 D110 D111 V115 H116 K118 V121	E109-T113 WeakPolarHBondContact O-CG2 3.39Å; E109-T113 PolarHBondContact O-N 3.15Å; E109-T113 PolarHBondContact O-OG1 2.67Å; D110-T113 PolarHBondContact O-N 3.28Å; D110-T113 PolarHBondContact O-OG1 2.87Å; D111-T113 VanDerWaalsContact C-N 3.25Å; D111-T113 PolarHBondContact O-N 2.72Å; T113-V115 VanDerWaalsContact C-N 3.3Å; T113-H116 VanDerWaalsContact CA-O 3.29Å; T113-H116 WeakPolarHBondContact CA-O 3.31Å; T113-K118 HydrophobicContact CG2-CB 4.19Å; T113-K118 HydrophobicContact CG2-CG 4.42Å; T113-V121 HydrophobicContact CG2-CG2 4.22Å
114	L	97.9	Very high	98.2	Very high	61 Å²	61	47.2 Å²	47.2	32%	0.319	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.2	170.6	-58.7	179.2	0	0	0	112.8	D110 D111 L112 A207 S208	D110-L114 PolarHBondContact O-N 2.71Å; D111-L114 WeakPolarHBondContact O-CB 3.48Å; D111-L114 PolarHBondContact O-N 2.79Å; L112-L114 PolarHBondContact O-N 3.4Å; L114-A207 HydrophobicContact CB-CB 3.93Å; L114-A207 HydrophobicContact CD1-CB 4.37Å; L114-S208 VanDerWaalsContact CD1-CA 3.49Å
115	V	98.6	Very high	98.3	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-34.5	-177.8	178.3	0	0	0	0	111.3	L112 T113 N200 A203 I204 A207 A243	L112-V115 PolarHBondContact O-N 3.14Å; T113-V115 VanDerWaalsContact C-N 3.3Å; V115-N200 HydrophobicContact CG1-CB 4.42Å; V115-A203 HydrophobicContact CG1-CB 4.04Å; V115-A203 HydrophobicContact CG2-CB 4.03Å; V115-I204 HydrophobicContact CB-CG1 4.04Å; V115-I204 HydrophobicContact CG2-CG1 4Å; V115-A207 HydrophobicContact CG2-CB 3.92Å; V115-A243 HydrophobicContact CG1-CB 4.24Å
116	H	98.8	Very high	98.3	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.014	27%	0.273	C	S	.	.	S	Bend	trans	-107.2	147.7	-175.5	-58.8	-75.2	0	0	0	112.5	L112 T113 Y120 V121 M189 R190 F199 N200	L112-H116 WeakPolarHBondContact O-CB 3.29Å; L112-H116 PolarHBondContact O-N 2.9Å; T113-H116 VanDerWaalsContact CA-O 3.29Å; T113-H116 WeakPolarHBondContact CA-O 3.31Å; H116-Y120 HydrophobicContact CB-CD1 3.98Å; H116-Y120 AromaticContact ND1-CE1 3.97Å; H116-V121 HydrophobicContact CB-CG2 3.9Å; H116-M189 PolarHBondContact CE1-O 2.96Å; H116-M189 VanDerWaalsContact CE1-O 3.26Å; H116-M189 PolarHBondContact ND1-O 2.93Å; H116-R190 CarbonylContact C-O 3.58Å; H116-R190 WeakPolarHBondContact CA-O 3.33Å; H116-R190 WeakPolarHBondContact CB-O 3.38Å; H116-F199 AromaticContact CD2-CD1 3.61Å; H116-F199 AromaticContact CG-CD1 4Å; H116-F199 AromaticContact NE2-CD1 3.73Å; H116-N200 PolarHBondContact NE2-N 3.17Å
117	D	98.7	Very high	98.3	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.273	25%	0.248	S	C	.	.			trans	-64.1	140.6	172.9	-82.1	-11.2	0	0	0	110.8	S119 Y120 V121 R190 S191	D117-S119 PolarHBondContact O-N 3.33Å; D117-Y120 WeakPolarHBondContact O-CA 3.28Å; D117-Y120 WeakPolarHBondContact O-CB 3.29Å; D117-Y120 PolarHBondContact O-N 3.33Å; D117-V121 PolarHBondContact O-N 3.19Å; D117-R190 PolarHBondContact N-O 3Å; D117-R190 IonicContact OD1-CZ 3.63Å; D117-R190 IonicContact OD1-NE 2.83Å; D117-R190 PolarHBondContact OD1-NE 2.89Å; D117-R190 IonicContact OD1-NH2 2.71Å; D117-S191 WeakPolarHBondContact CB-OG 3.23Å; D117-S191 PolarHBondContact OD2-OG 2.83Å
118	K	98.6	Very high	98.2	Very high	152 Å²	152	49 Å²	49	66%	0.661	26%	0.256	S	S	*	.	H	α-helix	trans	-55.6	-37.8	178	-173.2	174.7	-177.5	173.6	0	112.7	T113 Y120 V121 E122	T113-K118 HydrophobicContact CG2-CB 4.19Å; T113-K118 HydrophobicContact CG2-CG 4.42Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-V121 PolarHBondContact O-N 2.88Å; K118-E122 WeakPolarHBondContact O-CG 3.18Å; K118-E122 PolarHBondContact O-N 3.09Å
119	S	98.4	Very high	98.2	Very high	87 Å²	87	53.7 Å²	53.7	61%	0.608	27%	0.273	S	S	*	.	H	α-helix	trans	-63.9	-38.4	176.6	52.4	0	0	0	0	112.3	D117 K123	D117-S119 PolarHBondContact O-N 3.33Å; S119-K123 WeakPolarHBondContact O-CB 3.21Å; S119-K123 PolarHBondContact O-N 3.44Å
120	Y	98.6	Very high	98.2	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.02	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-48.1	174.9	175.4	-101	0	0	0	111.2	H116 D117 K118 E122 K123 I124 Y142 S191 A193 I198 F199	H116-Y120 HydrophobicContact CB-CD1 3.98Å; H116-Y120 AromaticContact ND1-CE1 3.97Å; D117-Y120 WeakPolarHBondContact O-CA 3.28Å; D117-Y120 WeakPolarHBondContact O-CB 3.29Å; D117-Y120 PolarHBondContact O-N 3.33Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; Y120-E122 VanDerWaalsContact C-N 3.32Å; Y120-E122 PolarHBondContact O-N 3.26Å; Y120-K123 WeakPolarHBondContact O-CB 3.47Å; Y120-K123 PolarHBondContact O-N 2.98Å; Y120-K123 VanDerWaalsContact O-N 3.13Å; Y120-I124 HydrophobicContact CD1-CG1 4.29Å; Y120-I124 HydrophobicContact CD2-CD1 4.34Å; Y120-I124 HydrophobicContact CD2-CG1 4.22Å; Y120-I124 HydrophobicContact CE1-CG1 3.87Å; Y120-I124 HydrophobicContact CE2-CD1 3.76Å; Y120-I124 HydrophobicContact CE2-CG1 3.79Å; Y120-I124 HydrophobicContact CG-CG1 4.46Å; Y120-I124 WeakPolarHBondContact O-CG1 3.42Å; Y120-I124 PolarHBondContact O-N 2.84Å; Y120-Y142 HydrophobicContact CE2-CE1 4.32Å; Y120-S191 VanDerWaalsContact CD2-O 3.28Å; Y120-S191 WeakPolarHBondContact CD2-O 3.38Å; Y120-A193 WeakPolarHBondContact OH-CA 3.47Å; Y120-A193 VanDerWaalsContact OH-CB 3.28Å; Y120-A193 WeakPolarHBondContact OH-CB 3.35Å; Y120-A193 PolarHBondContact OH-N 3.31Å; Y120-I198 PolarHBondContact OH-O 3.44Å; Y120-F199 AromaticContact CD1-CE1 3.98Å; Y120-F199 HydrophobicContact CD1-CE1 3.98Å; Y120-F199 AromaticContact CE1-CD1 3.87Å; Y120-F199 HydrophobicContact CE1-CD1 3.87Å; Y120-F199 AromaticContact CE1-CE1 3.56Å; Y120-F199 HydrophobicContact CE1-CE1 3.56Å
121	V	98.8	Very high	98.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-55.2	-47.4	177.1	175.6	0	0	0	0	111.2	E109 L112 T113 H116 D117 K118 I124 K125 W152 F199	E109-V121 HydrophobicContact CG-CG1 4.39Å; L112-V121 HydrophobicContact CB-CG1 4.28Å; L112-V121 HydrophobicContact CB-CG2 3.82Å; L112-V121 HydrophobicContact CD1-CG1 3.8Å; T113-V121 HydrophobicContact CG2-CG2 4.22Å; H116-V121 HydrophobicContact CB-CG2 3.9Å; D117-V121 PolarHBondContact O-N 3.19Å; K118-V121 PolarHBondContact O-N 2.88Å; V121-I124 PolarHBondContact O-N 2.9Å; V121-K125 VanDerWaalsContact O-CB 3.31Å; V121-K125 WeakPolarHBondContact O-CB 3.18Å; V121-K125 PolarHBondContact O-N 2.89Å; V121-W152 HydrophobicContact CG1-CH2 4.15Å; V121-W152 HydrophobicContact CG1-CZ3 4.23Å; V121-F199 HydrophobicContact CG2-CE1 4.26Å
122	E	98.4	Very high	98.1	Very high	63 Å²	63	53.2 Å²	53.2	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-42.3	177.4	-74.4	-62.2	170.3	0	0	112.4	K118 Y120 I124 K125 Q126	K118-E122 WeakPolarHBondContact O-CG 3.18Å; K118-E122 PolarHBondContact O-N 3.09Å; Y120-E122 VanDerWaalsContact C-N 3.32Å; Y120-E122 PolarHBondContact O-N 3.26Å; E122-I124 VanDerWaalsContact C-N 3.35Å; E122-I124 PolarHBondContact O-N 2.68Å; E122-K125 PolarHBondContact O-N 2.85Å; E122-K125 IonicContact OE1-NZ 2.89Å; E122-Q126 VanDerWaalsContact O-CG 3.31Å; E122-Q126 WeakPolarHBondContact O-CG 3.44Å; E122-Q126 PolarHBondContact O-N 3.12Å
123	K	98	Very high	98	Very high	71 Å²	71	63.1 Å²	63.1	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-46.7	176.4	-176.6	-178.3	179.2	-170	0	111.5	S119 Y120 Q126 S127 L138 E141 Y142	S119-K123 WeakPolarHBondContact O-CB 3.21Å; S119-K123 PolarHBondContact O-N 3.44Å; Y120-K123 WeakPolarHBondContact O-CB 3.47Å; Y120-K123 PolarHBondContact O-N 2.98Å; Y120-K123 VanDerWaalsContact O-N 3.13Å; K123-Q126 PolarHBondContact O-N 3.09Å; K123-S127 PolarHBondContact O-N 3.49Å; K123-L138 HydrophobicContact CD-CD1 4.43Å; K123-L138 VanDerWaalsContact CE-CD1 3.42Å; K123-E141 WeakPolarHBondContact CE-OE2 3.48Å; K123-E141 IonicContact NZ-OE2 3.89Å; K123-E141 PolarHBondContact NZ-OE2 2.93Å; K123-Y142 PolarHBondContact NZ-OH 3.29Å
124	I	98.3	Very high	98	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.9	-39	178.5	-58.4	-40.1	0	0	0	111	Y120 V121 E122 Q126 S127 F147 W152 I198 F199	Y120-I124 HydrophobicContact CD1-CG1 4.29Å; Y120-I124 HydrophobicContact CD2-CD1 4.34Å; Y120-I124 HydrophobicContact CD2-CG1 4.22Å; Y120-I124 HydrophobicContact CE1-CG1 3.87Å; Y120-I124 HydrophobicContact CE2-CD1 3.76Å; Y120-I124 HydrophobicContact CE2-CG1 3.79Å; Y120-I124 HydrophobicContact CG-CG1 4.46Å; Y120-I124 WeakPolarHBondContact O-CG1 3.42Å; Y120-I124 PolarHBondContact O-N 2.84Å; V121-I124 PolarHBondContact O-N 2.9Å; E122-I124 VanDerWaalsContact C-N 3.35Å; E122-I124 PolarHBondContact O-N 2.68Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.18Å; I124-S127 WeakPolarHBondContact O-CB 3.33Å; I124-S127 PolarHBondContact O-N 2.96Å; I124-S127 PolarHBondContact O-OG 3.17Å; I124-F147 HydrophobicContact CD1-CE1 3.64Å; I124-F147 HydrophobicContact CD1-CZ 3.82Å; I124-F147 HydrophobicContact CG2-CE1 4.27Å; I124-W152 HydrophobicContact CG2-CE3 4.13Å; I124-I198 HydrophobicContact CG1-CG2 4.39Å; I124-I198 HydrophobicContact CG2-CG2 3.63Å; I124-F199 HydrophobicContact CB-CZ 3.98Å; I124-F199 HydrophobicContact CG1-CZ 4.37Å; I124-F199 HydrophobicContact CG2-CE2 4.21Å; I124-F199 HydrophobicContact CG2-CZ 3.89Å
125	K	98.4	Very high	98	Very high	54 Å²	54	62.3 Å²	62.3	24%	0.235	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-42.9	175.7	-177.2	175.4	171.1	-172.2	0	112.3	E109 V121 E122 S127 C128 W152	E109-K125 VanDerWaalsContact OE1-CE 3.24Å; E109-K125 WeakPolarHBondContact OE1-CE 3.36Å; E109-K125 IonicContact OE1-NZ 3.53Å; E109-K125 PolarHBondContact OE1-NZ 3.21Å; E109-K125 IonicContact OE2-NZ 3.3Å; E109-K125 PolarHBondContact OE2-NZ 3.28Å; V121-K125 VanDerWaalsContact O-CB 3.31Å; V121-K125 WeakPolarHBondContact O-CB 3.18Å; V121-K125 PolarHBondContact O-N 2.89Å; E122-K125 PolarHBondContact O-N 2.85Å; E122-K125 IonicContact OE1-NZ 2.89Å; K125-S127 PolarHBondContact O-N 3.31Å; K125-C128 PolarHBondContact O-N 3.38Å; K125-C128 PolarHBondContact O-SG 3.09Å; K125-W152 VanDerWaalsContact CA-CE3 3.45Å; K125-W152 HydrophobicContact CB-CD2 4Å; K125-W152 HydrophobicContact CB-CE3 3.8Å; K125-W152 HydrophobicContact CB-CH2 3.85Å; K125-W152 HydrophobicContact CB-CZ2 4.05Å; K125-W152 HydrophobicContact CB-CZ3 3.7Å; K125-W152 HydrophobicContact CD-CH2 4.07Å; K125-W152 HydrophobicContact CD-CZ2 3.91Å; K125-W152 HydrophobicContact CG-CD2 4.16Å; K125-W152 HydrophobicContact CG-CE3 4.42Å; K125-W152 HydrophobicContact CG-CH2 4.05Å; K125-W152 HydrophobicContact CG-CZ2 3.77Å; K125-W152 HydrophobicContact CG-CZ3 4.35Å
126	Q	97.9	Very high	97.9	Very high	94 Å²	94	67.9 Å²	67.9	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-16.2	176.8	-66.1	-57.1	-28.5	0	0	113.4	E122 K123 I124 C128 H129	E122-Q126 VanDerWaalsContact O-CG 3.31Å; E122-Q126 WeakPolarHBondContact O-CG 3.44Å; E122-Q126 PolarHBondContact O-N 3.12Å; K123-Q126 PolarHBondContact O-N 3.09Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.18Å; Q126-C128 PolarHBondContact O-N 3.37Å; Q126-C128 VanDerWaalsContact O-N 3.11Å; Q126-H129 PolarHBondContact O-N 3.14Å
127	S	97.4	Very high	97.9	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-60.1	-25.4	178.8	95.3	0	0	0	0	112.9	K123 I124 K125 H129 M130 L135	K123-S127 PolarHBondContact O-N 3.49Å; I124-S127 WeakPolarHBondContact O-CB 3.33Å; I124-S127 PolarHBondContact O-N 2.96Å; I124-S127 PolarHBondContact O-OG 3.17Å; K125-S127 PolarHBondContact O-N 3.31Å; S127-H129 PolarHBondContact O-N 3.47Å; S127-M130 PolarHBondContact O-N 2.66Å; S127-L135 WeakPolarHBondContact O-CD2 3.3Å
128	C	97.5	Very high	97.8	Very high	37 Å²	37	68.3 Å²	68.3	25%	0.25	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.4	177.3	70.9	0	0	0	0	114.1	K125 Q126 W152	K125-C128 PolarHBondContact O-N 3.38Å; K125-C128 PolarHBondContact O-SG 3.09Å; Q126-C128 PolarHBondContact O-N 3.37Å; Q126-C128 VanDerWaalsContact O-N 3.11Å; C128-W152 HydrophobicContact CB-CB 4.48Å
129	H	97.9	Very high	97.7	Very high	148 Å²	148	61.6 Å²	61.6	69%	0.685	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-103.4	-8	178	-59.4	-55.8	0	0	0	113.5	Q126 S127	Q126-H129 PolarHBondContact O-N 3.14Å; S127-H129 PolarHBondContact O-N 3.47Å
130	M	98	Very high	97.6	Very high	52 Å²	52	61.2 Å²	61.2	26%	0.256	31%	0.305	S	S	.	.	S	Bend	trans	-72.4	146	179.2	-72.4	179.7	-177.4	0	0	111.9	S127 E134 L135 L138	S127-M130 PolarHBondContact O-N 2.66Å; M130-E134 HydrophobicContact CB-CB 3.84Å; M130-E134 HydrophobicContact CG-CB 4.09Å; M130-E134 HydrophobicContact SD-CB 4.29Å; M130-L135 HydrophobicContact CB-CD2 4.1Å; M130-L135 HydrophobicContact CB-CG 3.82Å; M130-L138 HydrophobicContact CE-CD2 4.47Å; M130-L138 HydrophobicContact SD-CD2 3.92Å
131	S	97.5	Very high	97.5	Very high	57 Å²	57	66.6 Å²	66.6	40%	0.399	33%	0.331	S	S	.	.			trans	-67.5	162.7	168.3	68.7	0	0	0	0	111.6	R133 E134 L135	S131-R133 PolarHBondContact O-N 2.91Å; S131-R133 VanDerWaalsContact O-N 3.16Å; S131-E134 VanDerWaalsContact CB-OE2 3.23Å; S131-E134 WeakPolarHBondContact CB-OE2 3.47Å; S131-E134 PolarHBondContact N-OE2 3.12Å; S131-E134 PolarHBondContact O-N 3.02Å; S131-E134 VanDerWaalsContact O-N 3.14Å; S131-E134 WeakPolarHBondContact OG-CG 3.41Å; S131-E134 PolarHBondContact OG-N 3.38Å; S131-E134 PolarHBondContact OG-OE2 3.45Å; S131-L135 WeakPolarHBondContact O-CG 3.48Å; S131-L135 PolarHBondContact O-N 3.44Å
132	N	96.4	Very high	97.5	Very high	105 Å²	105	67.9 Å²	67.9	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-57.5	-31.7	176.3	-71.5	-6.1	0	0	0	112.8	W72 Y136	W72-N132 VanDerWaalsContact CZ2-O 3.31Å; W72-N132 WeakPolarHBondContact CZ2-O 3.29Å; N132-Y136 WeakPolarHBondContact O-CB 3.28Å; N132-Y136 PolarHBondContact O-N 3.34Å
133	R	96.7	Very high	97.2	Very high	207 Å²	207	68.9 Å²	68.9	78%	0.781	34%	0.343	S	S	*	.	H	α-helix	trans	-71.3	-41.7	178.1	-176	179.1	178.5	171.3	0.2	111.8	S131 Y136 S137	S131-R133 PolarHBondContact O-N 2.91Å; S131-R133 VanDerWaalsContact O-N 3.16Å; R133-Y136 PolarHBondContact O-N 2.9Å; R133-S137 PolarHBondContact O-N 3.47Å; R133-S137 PolarHBondContact O-OG 3.13Å
134	E	98	Very high	97	Very high	102 Å²	102	67.1 Å²	67.1	48%	0.477	35%	0.345	S	S	.	.	H	α-helix	trans	-66.1	-41.7	175.3	-71.3	161.2	134.2	0	0	110.7	M130 S131 Y136 S137 L138	M130-E134 HydrophobicContact CB-CB 3.84Å; M130-E134 HydrophobicContact CG-CB 4.09Å; M130-E134 HydrophobicContact SD-CB 4.29Å; S131-E134 VanDerWaalsContact CB-OE2 3.23Å; S131-E134 WeakPolarHBondContact CB-OE2 3.47Å; S131-E134 PolarHBondContact N-OE2 3.12Å; S131-E134 PolarHBondContact O-N 3.02Å; S131-E134 VanDerWaalsContact O-N 3.14Å; S131-E134 WeakPolarHBondContact OG-CG 3.41Å; S131-E134 PolarHBondContact OG-N 3.38Å; S131-E134 PolarHBondContact OG-OE2 3.45Å; E134-Y136 PolarHBondContact O-N 2.94Å; E134-S137 WeakPolarHBondContact O-CB 3.48Å; E134-S137 PolarHBondContact O-N 3.37Å; E134-S137 VanDerWaalsContact O-N 3.15Å; E134-L138 WeakPolarHBondContact O-CB 3.32Å; E134-L138 PolarHBondContact O-N 2.87Å
135	L	98	Very high	96.8	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-39.2	175.9	-73	164.8	0	0	0	113	W72 S127 M130 S131 S137 L138 S139 F147 R149	W72-L135 HydrophobicContact CH2-CB 4.01Å; W72-L135 HydrophobicContact CZ2-CB 4.35Å; S127-L135 WeakPolarHBondContact O-CD2 3.3Å; M130-L135 HydrophobicContact CB-CD2 4.1Å; M130-L135 HydrophobicContact CB-CG 3.82Å; S131-L135 WeakPolarHBondContact O-CG 3.48Å; S131-L135 PolarHBondContact O-N 3.44Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-L138 PolarHBondContact O-N 3.2Å; L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 3.1Å; L135-S139 PolarHBondContact O-OG 2.94Å; L135-F147 HydrophobicContact CD2-CB 3.76Å; L135-R149 HydrophobicContact CD1-CB 4.47Å
136	Y	96.7	Very high	96.8	Very high	136 Å²	136	65.3 Å²	65.3	53%	0.533	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-43.8	172.6	-177	-96.4	0	0	0	111	W72 N132 R133 E134 S139 A140	W72-Y136 AromaticContact CD2-CD2 3.62Å; W72-Y136 HydrophobicContact CD2-CD2 3.62Å; W72-Y136 HydrophobicContact CD2-CE2 4.38Å; W72-Y136 AromaticContact CE2-CD2 3.76Å; W72-Y136 AromaticContact CE3-CD2 3.95Å; W72-Y136 HydrophobicContact CE3-CD2 3.95Å; W72-Y136 AromaticContact CG-CD2 3.91Å; W72-Y136 HydrophobicContact CG-CD2 3.91Å; W72-Y136 HydrophobicContact CG-CE2 4.33Å; W72-Y136 HydrophobicContact CZ2-CD2 4.25Å; W72-Y136 HydrophobicContact CZ2-CG 4.47Å; W72-Y136 HydrophobicContact CZ3-CD2 4.38Å; N132-Y136 WeakPolarHBondContact O-CB 3.28Å; N132-Y136 PolarHBondContact O-N 3.34Å; R133-Y136 PolarHBondContact O-N 2.9Å; E134-Y136 PolarHBondContact O-N 2.94Å; Y136-S139 WeakPolarHBondContact O-CB 3.22Å; Y136-S139 PolarHBondContact O-N 3.15Å; Y136-A140 PolarHBondContact O-N 3.28Å; Y136-A140 VanDerWaalsContact O-N 3.16Å
137	S	97.3	Very high	96.8	Very high	58 Å²	58	60.9 Å²	60.9	41%	0.406	32%	0.318	S	S	.	.	H	α-helix	trans	-64.8	-44.9	178.7	-51.3	0	0	0	0	111.2	R133 E134 L135 S139 A140 E141	R133-S137 PolarHBondContact O-N 3.47Å; R133-S137 PolarHBondContact O-OG 3.13Å; E134-S137 WeakPolarHBondContact O-CB 3.48Å; E134-S137 PolarHBondContact O-N 3.37Å; E134-S137 VanDerWaalsContact O-N 3.15Å; L135-S137 VanDerWaalsContact C-N 3.32Å; S137-S139 VanDerWaalsContact C-N 3.29Å; S137-S139 PolarHBondContact O-N 2.85Å; S137-A140 PolarHBondContact O-N 3.37Å; S137-A140 VanDerWaalsContact O-N 3.15Å; S137-E141 PolarHBondContact O-N 3.06Å
138	L	97.6	Very high	96.7	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-39	175.2	178.3	64.5	0	0	0	112.1	K123 M130 E134 L135 A140 E141 Y142 F147	K123-L138 HydrophobicContact CD-CD1 4.43Å; K123-L138 VanDerWaalsContact CE-CD1 3.42Å; M130-L138 HydrophobicContact CE-CD2 4.47Å; M130-L138 HydrophobicContact SD-CD2 3.92Å; E134-L138 WeakPolarHBondContact O-CB 3.32Å; E134-L138 PolarHBondContact O-N 2.87Å; L135-L138 PolarHBondContact O-N 3.2Å; L138-A140 VanDerWaalsContact C-N 3.31Å; L138-A140 PolarHBondContact O-N 3.43Å; L138-E141 WeakPolarHBondContact O-CB 3.29Å; L138-E141 PolarHBondContact O-N 2.6Å; L138-Y142 HydrophobicContact CD1-CE2 3.78Å; L138-Y142 HydrophobicContact CG-CE2 4.37Å; L138-Y142 VanDerWaalsContact O-CD2 3.28Å; L138-Y142 WeakPolarHBondContact O-CD2 3.32Å; L138-F147 HydrophobicContact CD2-CB 4.26Å; L138-F147 HydrophobicContact CD2-CD1 3.91Å; L138-F147 HydrophobicContact CD2-CD2 4.09Å; L138-F147 HydrophobicContact CD2-CE1 4.29Å; L138-F147 HydrophobicContact CD2-CE2 4.45Å; L138-F147 HydrophobicContact CD2-CG 3.81Å; L138-F147 HydrophobicContact CG-CD2 3.9Å; L138-F147 HydrophobicContact CG-CE2 4.13Å; L138-F147 HydrophobicContact CG-CG 4.15Å
139	S	96.8	Very high	96.7	Very high	12 Å²	12	65.9 Å²	65.9	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-41.5	176.5	-55.6	0	0	0	0	111.4	L135 Y136 S137 E141 Y142 V145 F146 F147	L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 3.1Å; L135-S139 PolarHBondContact O-OG 2.94Å; Y136-S139 WeakPolarHBondContact O-CB 3.22Å; Y136-S139 PolarHBondContact O-N 3.15Å; S137-S139 VanDerWaalsContact C-N 3.29Å; S137-S139 PolarHBondContact O-N 2.85Å; S139-E141 PolarHBondContact O-N 2.99Å; S139-Y142 PolarHBondContact O-N 2.7Å; S139-V145 WeakPolarHBondContact CB-O 3.28Å; S139-F146 WeakPolarHBondContact OG-CA 2.92Å; S139-F147 PolarHBondContact OG-N 3.01Å
140	A	95.5	Very high	96.8	Very high	79 Å²	79	62.5 Å²	62.5	65%	0.653	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.4	180	0	0	0	0	0	114.4	Y136 S137 L138 Y142	Y136-A140 PolarHBondContact O-N 3.28Å; Y136-A140 VanDerWaalsContact O-N 3.16Å; S137-A140 PolarHBondContact O-N 3.37Å; S137-A140 VanDerWaalsContact O-N 3.15Å; L138-A140 VanDerWaalsContact C-N 3.31Å; L138-A140 PolarHBondContact O-N 3.43Å; A140-Y142 VanDerWaalsContact C-N 3.29Å
141	E	97.1	Very high	96.8	Very high	117 Å²	117	60 Å²	60	55%	0.547	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.6	175.1	-67.7	177.7	-151.9	0	0	113.1	K123 S137 L138 S139	K123-E141 WeakPolarHBondContact CE-OE2 3.48Å; K123-E141 IonicContact NZ-OE2 3.89Å; K123-E141 PolarHBondContact NZ-OE2 2.93Å; S137-E141 PolarHBondContact O-N 3.06Å; L138-E141 WeakPolarHBondContact O-CB 3.29Å; L138-E141 PolarHBondContact O-N 2.6Å; S139-E141 PolarHBondContact O-N 2.99Å
142	Y	97	Very high	96.8	Very high	29 Å²	29	59.3 Å²	59.3	11%	0.114	29%	0.29	C	S	.	.	S	Bend	trans	-125.9	157.6	-172.4	-60.8	-68.4	0	0	0	111.9	Y120 K123 L138 S139 A140 G144 F147 E192 A193	Y120-Y142 HydrophobicContact CE2-CE1 4.32Å; K123-Y142 PolarHBondContact NZ-OH 3.29Å; L138-Y142 HydrophobicContact CD1-CE2 3.78Å; L138-Y142 HydrophobicContact CG-CE2 4.37Å; L138-Y142 VanDerWaalsContact O-CD2 3.28Å; L138-Y142 WeakPolarHBondContact O-CD2 3.32Å; S139-Y142 PolarHBondContact O-N 2.7Å; A140-Y142 VanDerWaalsContact C-N 3.29Å; Y142-G144 PolarHBondContact O-N 3.06Å; Y142-F147 AromaticContact CD2-CE2 3.68Å; Y142-F147 HydrophobicContact CD2-CE2 3.68Å; Y142-F147 HydrophobicContact CD2-CZ 4.13Å; Y142-F147 AromaticContact CE2-CE2 3.95Å; Y142-F147 HydrophobicContact CE2-CE2 3.95Å; Y142-F147 HydrophobicContact CE2-CZ 4.05Å; Y142-E192 HydrophobicContact CD1-CB 4.49Å; Y142-E192 HydrophobicContact CD1-CG 3.57Å; Y142-E192 HydrophobicContact CE1-CB 4.44Å; Y142-E192 HydrophobicContact CE1-CG 3.91Å; Y142-A193 WeakPolarHBondContact CB-O 3.18Å; Y142-A193 HydrophobicContact CD1-CB 4.15Å; Y142-A193 WeakPolarHBondContact CD1-O 2.93Å; Y142-A193 HydrophobicContact CD2-CB 4.11Å; Y142-A193 HydrophobicContact CE2-CB 4.43Å; Y142-A193 HydrophobicContact CG-CB 3.93Å
143	D	94	Very high	97	Very high	83 Å²	83	57.1 Å²	57.1	44%	0.444	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-82.6	116.3	179.4	-173.5	24.9	0	0	0	112.1	V145 C194 G195 W264	D143-V145 VanDerWaalsContact O-CG2 3.26Å; D143-V145 WeakPolarHBondContact O-CG2 3.49Å; D143-V145 PolarHBondContact O-N 3.46Å; D143-C194 CarbonylContact O-C 3.57Å; D143-C194 WeakPolarHBondContact O-CA 3.28Å; D143-G195 PolarHBondContact O-N 3.47Å; D143-W264 PolarHBondContact OD2-NE1 2.74Å
144	G	92.3	Very high	97	Very high	35 Å²	35	47.2 Å²	47.2	36%	0.361	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	36	173.4	0	0	0	0	0	114.6	Y142 Y196	Y142-G144 PolarHBondContact O-N 3.06Å; G144-Y196 WeakPolarHBondContact O-CD1 3.35Å; G144-Y196 WeakPolarHBondContact O-CE1 3.43Å; G144-Y196 PolarHBondContact O-N 3.08Å
145	V	95.3	Very high	97.1	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.085	22%	0.217	C	C	.	.			trans	-128.6	148.8	-177.9	-155	0	0	0	0	111.5	S139 D143 F147 A193 I198	S139-V145 WeakPolarHBondContact CB-O 3.28Å; D143-V145 VanDerWaalsContact O-CG2 3.26Å; D143-V145 WeakPolarHBondContact O-CG2 3.49Å; D143-V145 PolarHBondContact O-N 3.46Å; V145-F147 HydrophobicContact CB-CE2 4.36Å; V145-F147 HydrophobicContact CG1-CE2 3.95Å; V145-F147 HydrophobicContact CG1-CZ 4.3Å; V145-A193 HydrophobicContact CB-CB 4.35Å; V145-A193 HydrophobicContact CG1-CB 3.95Å; V145-A193 HydrophobicContact CG2-CB 3.88Å; V145-I198 HydrophobicContact CG1-CD1 3.45Å; V145-I198 VanDerWaalsContact CG1-CD1 3.45Å
146	F	96.9	Very high	97.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	22%	0.219	C	C	.	.			trans	-129	148.8	169.4	55	-94.8	0	0	0	111.3	H68 H70 E76 E78 S139 Y196	H68-F146 AromaticContact CD2-CE2 3.92Å; H68-F146 AromaticContact CE1-CD2 3.68Å; H68-F146 AromaticContact CE1-CE2 3.4Å; H68-F146 VanDerWaalsContact CE1-CE2 3.4Å; H68-F146 WeakPolarHBondContact CE1-CE2 3.35Å; H68-F146 PolarHBondContact CE1-O 3.27Å; H68-F146 VanDerWaalsContact CE1-O 3.27Å; H68-F146 AromaticContact ND1-CE2 3.99Å; H68-F146 AromaticContact NE2-CE2 3.34Å; H68-F146 VanDerWaalsContact NE2-CE2 3.34Å; H68-F146 WeakPolarHBondContact NE2-CE2 3.43Å; H68-F146 AromaticContact NE2-CZ 3.84Å; H70-F146 HydrophobicContact CB-CB 4.49Å; H70-F146 HydrophobicContact CB-CD1 3.93Å; H70-F146 HydrophobicContact CB-CD2 3.99Å; H70-F146 HydrophobicContact CB-CE1 4.1Å; H70-F146 HydrophobicContact CB-CE2 4.18Å; H70-F146 HydrophobicContact CB-CG 3.86Å; H70-F146 HydrophobicContact CB-CZ 4.21Å; H70-F146 AromaticContact CD2-CD1 3.46Å; H70-F146 VanDerWaalsContact CD2-CD1 3.46Å; H70-F146 WeakPolarHBondContact CD2-CD1 3.5Å; H70-F146 AromaticContact CD2-CG 3.69Å; H70-F146 AromaticContact CG-CD1 3.99Å; H70-F146 AromaticContact CG-CG 3.92Å; H70-F146 VanDerWaalsContact N-CE2 3.26Å; E76-F146 HydrophobicContact CG-CD1 4.28Å; E76-F146 HydrophobicContact CG-CE1 3.73Å; E76-F146 HydrophobicContact CG-CZ 4.49Å; E78-F146 HydrophobicContact CB-CE1 4.1Å; E78-F146 HydrophobicContact CB-CZ 4.14Å; E78-F146 WeakPolarHBondContact OE2-CZ 3.27Å; S139-F146 WeakPolarHBondContact OG-CA 2.92Å; F146-Y196 HydrophobicContact CD1-CD1 4.31Å; F146-Y196 AromaticContact CE1-CD1 3.87Å; F146-Y196 HydrophobicContact CE1-CD1 3.87Å; F146-Y196 HydrophobicContact CE1-CE1 4.31Å
147	F	97.9	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.			trans	-119.9	141.7	175.6	-67.5	-97.3	0	0	0	110.5	W72 I124 L135 L138 S139 Y142 V145 T151 A193 I198	W72-F147 WeakPolarHBondContact CH2-O 3.41Å; W72-F147 WeakPolarHBondContact CZ3-O 3.43Å; I124-F147 HydrophobicContact CD1-CE1 3.64Å; I124-F147 HydrophobicContact CD1-CZ 3.82Å; I124-F147 HydrophobicContact CG2-CE1 4.27Å; L135-F147 HydrophobicContact CD2-CB 3.76Å; L138-F147 HydrophobicContact CD2-CB 4.26Å; L138-F147 HydrophobicContact CD2-CD1 3.91Å; L138-F147 HydrophobicContact CD2-CD2 4.09Å; L138-F147 HydrophobicContact CD2-CE1 4.29Å; L138-F147 HydrophobicContact CD2-CE2 4.45Å; L138-F147 HydrophobicContact CD2-CG 3.81Å; L138-F147 HydrophobicContact CG-CD2 3.9Å; L138-F147 HydrophobicContact CG-CE2 4.13Å; L138-F147 HydrophobicContact CG-CG 4.15Å; S139-F147 PolarHBondContact OG-N 3.01Å; Y142-F147 AromaticContact CD2-CE2 3.68Å; Y142-F147 HydrophobicContact CD2-CE2 3.68Å; Y142-F147 HydrophobicContact CD2-CZ 4.13Å; Y142-F147 AromaticContact CE2-CE2 3.95Å; Y142-F147 HydrophobicContact CE2-CE2 3.95Å; Y142-F147 HydrophobicContact CE2-CZ 4.05Å; V145-F147 HydrophobicContact CB-CE2 4.36Å; V145-F147 HydrophobicContact CG1-CE2 3.95Å; V145-F147 HydrophobicContact CG1-CZ 4.3Å; F147-T151 HydrophobicContact CD1-CG2 3.66Å; F147-T151 HydrophobicContact CE1-CG2 4.07Å; F147-T151 HydrophobicContact CG-CG2 4.49Å; F147-A193 HydrophobicContact CE2-CB 4.44Å; F147-A193 HydrophobicContact CZ-CB 3.95Å; F147-I198 HydrophobicContact CD1-CD1 4.36Å; F147-I198 HydrophobicContact CE1-CD1 3.65Å; F147-I198 HydrophobicContact CE1-CG2 4.31Å; F147-I198 HydrophobicContact CE2-CD1 4.36Å; F147-I198 HydrophobicContact CZ-CD1 3.66Å
148	N	97.3	Very high	97.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.174	C	C	.	.			trans	-131.9	174.1	161.9	80.2	0.1	0	0	0	110.3	K67 K69 E71 Y150 T151	K67-N148 PolarHBondContact O-ND2 3.46Å; K69-N148 PolarHBondContact N-ND2 3.18Å; K69-N148 PolarHBondContact O-ND2 3.21Å; E71-N148 HydrophobicContact CG-CB 3.75Å; E71-N148 PolarHBondContact OE1-ND2 2.91Å; N148-Y150 PolarHBondContact O-N 3.04Å; N148-Y150 PolarHBondContact OD1-N 2.77Å; N148-T151 PolarHBondContact N-OG1 3.19Å; N148-T151 VanDerWaalsContact O-CB 3.29Å; N148-T151 WeakPolarHBondContact O-CB 3.45Å; N148-T151 PolarHBondContact O-N 2.98Å; N148-T151 PolarHBondContact O-OG1 3.21Å; N148-T151 PolarHBondContact OD1-N 3.29Å; N148-T151 PolarHBondContact OD1-OG1 2.85Å; N148-T151 VanDerWaalsContact OD1-OG1 3.09Å
149	R	97.5	Very high	97.3	Very high	142 Å²	142	33.2 Å²	33.2	54%	0.536	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.1	-177.6	70.8	180	-60.5	-152.5	3.6	115.4	L135	L135-R149 HydrophobicContact CD1-CB 4.47Å
150	Y	98.3	Very high	97.4	Very high	77 Å²	77	32.7 Å²	32.7	30%	0.302	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	0.9	179.5	-58	-68.1	0	0	0	113.2	K67 N148 W152 L153 C154	K67-Y150 HydrophobicContact CB-CD1 4.29Å; K67-Y150 HydrophobicContact CB-CD2 3.8Å; K67-Y150 HydrophobicContact CB-CG 3.63Å; K67-Y150 HydrophobicContact CD-CD1 3.94Å; K67-Y150 HydrophobicContact CD-CE1 4.16Å; K67-Y150 HydrophobicContact CD-CG 4.13Å; K67-Y150 HydrophobicContact CG-CG 4.47Å; N148-Y150 PolarHBondContact O-N 3.04Å; N148-Y150 PolarHBondContact OD1-N 2.77Å; Y150-W152 PolarHBondContact O-N 3.2Å; Y150-L153 WeakPolarHBondContact O-CB 3.48Å; Y150-L153 PolarHBondContact O-N 3.11Å; Y150-C154 PolarHBondContact O-N 2.69Å; Y150-C154 PolarHBondContact O-SG 3.48Å
151	T	98.5	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-45	-173.7	-60.6	0	0	0	0	111.7	H68 F147 N148 L153 C154 A155 I198	H68-T151 PolarHBondContact ND1-OG1 2.86Å; F147-T151 HydrophobicContact CD1-CG2 3.66Å; F147-T151 HydrophobicContact CE1-CG2 4.07Å; F147-T151 HydrophobicContact CG-CG2 4.49Å; N148-T151 PolarHBondContact N-OG1 3.19Å; N148-T151 VanDerWaalsContact O-CB 3.29Å; N148-T151 WeakPolarHBondContact O-CB 3.45Å; N148-T151 PolarHBondContact O-N 2.98Å; N148-T151 PolarHBondContact O-OG1 3.21Å; N148-T151 PolarHBondContact OD1-N 3.29Å; N148-T151 PolarHBondContact OD1-OG1 2.85Å; N148-T151 VanDerWaalsContact OD1-OG1 3.09Å; T151-L153 PolarHBondContact O-N 3.45Å; T151-C154 PolarHBondContact O-N 3.26Å; T151-A155 VanDerWaalsContact O-CB 3.24Å; T151-A155 WeakPolarHBondContact O-CB 3.33Å; T151-A155 PolarHBondContact O-N 3.29Å; T151-I198 HydrophobicContact CG2-CD1 3.91Å; T151-I198 HydrophobicContact CG2-CG1 3.76Å
152	W	98.6	Very high	97.6	Very high	42 Å²	42	23.8 Å²	23.8	16%	0.159	12%	0.116	C	C	.	.	H	α-helix	trans	-53.6	-49.5	171.8	171.2	-106.7	0	0	0	112.7	E109 L112 V121 I124 K125 C128 Y150 C154 T156 F199	E109-W152 HydrophobicContact CG-CH2 4.16Å; E109-W152 HydrophobicContact CG-CZ2 4.45Å; L112-W152 HydrophobicContact CD1-CH2 3.76Å; L112-W152 HydrophobicContact CD1-CZ3 3.97Å; V121-W152 HydrophobicContact CG1-CH2 4.15Å; V121-W152 HydrophobicContact CG1-CZ3 4.23Å; I124-W152 HydrophobicContact CG2-CE3 4.13Å; K125-W152 VanDerWaalsContact CA-CE3 3.45Å; K125-W152 HydrophobicContact CB-CD2 4Å; K125-W152 HydrophobicContact CB-CE3 3.8Å; K125-W152 HydrophobicContact CB-CH2 3.85Å; K125-W152 HydrophobicContact CB-CZ2 4.05Å; K125-W152 HydrophobicContact CB-CZ3 3.7Å; K125-W152 HydrophobicContact CD-CH2 4.07Å; K125-W152 HydrophobicContact CD-CZ2 3.91Å; K125-W152 HydrophobicContact CG-CD2 4.16Å; K125-W152 HydrophobicContact CG-CE3 4.42Å; K125-W152 HydrophobicContact CG-CH2 4.05Å; K125-W152 HydrophobicContact CG-CZ2 3.77Å; K125-W152 HydrophobicContact CG-CZ3 4.35Å; C128-W152 HydrophobicContact CB-CB 4.48Å; Y150-W152 PolarHBondContact O-N 3.2Å; W152-C154 PolarHBondContact O-N 2.92Å; W152-T156 HydrophobicContact CD2-CG2 3.83Å; W152-T156 HydrophobicContact CE3-CG2 3.97Å; W152-T156 HydrophobicContact CH2-CG2 3.85Å; W152-T156 HydrophobicContact CZ2-CG2 3.69Å; W152-T156 HydrophobicContact CZ3-CG2 3.99Å; W152-T156 WeakPolarHBondContact O-CB 3.45Å; W152-T156 VanDerWaalsContact O-CG2 3.31Å; W152-T156 WeakPolarHBondContact O-CG2 3.34Å; W152-T156 PolarHBondContact O-N 3.32Å; W152-T156 PolarHBondContact O-OG1 2.66Å; W152-F199 AromaticContact CE3-CE2 3.93Å; W152-F199 HydrophobicContact CE3-CE2 3.93Å; W152-F199 HydrophobicContact CE3-CZ 4.15Å; W152-F199 AromaticContact CZ3-CE2 3.72Å; W152-F199 HydrophobicContact CZ3-CE2 3.72Å; W152-F199 AromaticContact CZ3-CZ 3.7Å; W152-F199 HydrophobicContact CZ3-CZ 3.7Å
153	L	98.7	Very high	97.6	Very high	58 Å²	58	23.8 Å²	23.8	30%	0.304	12%	0.116	S	C	.	.	H	α-helix	trans	-60.1	-46.6	178.8	172.8	65.2	0	0	0	111.6	Y150 T151 T156 L157	Y150-L153 WeakPolarHBondContact O-CB 3.48Å; Y150-L153 PolarHBondContact O-N 3.11Å; T151-L153 PolarHBondContact O-N 3.45Å; L153-T156 PolarHBondContact O-OG1 3.22Å; L153-T156 VanDerWaalsContact O-OG1 3.07Å; L153-L157 HydrophobicContact CD1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.03Å; L153-L157 WeakPolarHBondContact O-CB 3.34Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.07Å
154	C	98.8	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.2	-42.7	-176.6	-58.2	0	0	0	0	111.3	R64 H68 Y150 T151 W152 L157 A158	R64-C154 PolarHBondContact O-SG 3.37Å; H68-C154 HydrophobicContact CB-CB 3.66Å; H68-C154 PolarHBondContact N-SG 2.83Å; Y150-C154 PolarHBondContact O-N 2.69Å; Y150-C154 PolarHBondContact O-SG 3.48Å; T151-C154 PolarHBondContact O-N 3.26Å; W152-C154 PolarHBondContact O-N 2.92Å; C154-L157 PolarHBondContact O-N 3.23Å; C154-A158 WeakPolarHBondContact O-CB 3.49Å; C154-A158 PolarHBondContact O-N 2.99Å
155	A	98.7	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-41.4	178.9	0	0	0	0	0	112	T151 A158 A159 P183 I198 F199	T151-A155 VanDerWaalsContact O-CB 3.24Å; T151-A155 WeakPolarHBondContact O-CB 3.33Å; T151-A155 PolarHBondContact O-N 3.29Å; A155-A158 PolarHBondContact O-N 3.33Å; A155-A159 PolarHBondContact O-N 3.07Å; A155-P183 HydrophobicContact CB-CG 3.81Å; A155-I198 HydrophobicContact CB-CB 3.92Å; A155-I198 HydrophobicContact CB-CG1 4.38Å; A155-I198 HydrophobicContact CB-CG2 3.96Å; A155-F199 HydrophobicContact CB-CD2 3.74Å; A155-F199 HydrophobicContact CB-CE2 4.17Å
156	T	98.8	Very high	97.8	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-67.9	-39.3	175.8	52	0	0	0	0	112.2	P106 I107 L112 W152 L153 G160 F199	P106-T156 CarbonylContact C-O 3.57Å; P106-T156 WeakPolarHBondContact CA-O 3.48Å; I107-T156 HydrophobicContact CG2-CG2 3.98Å; I107-T156 PolarHBondContact N-O 3.46Å; L112-T156 HydrophobicContact CD1-CG2 4.47Å; W152-T156 HydrophobicContact CD2-CG2 3.83Å; W152-T156 HydrophobicContact CE3-CG2 3.97Å; W152-T156 HydrophobicContact CH2-CG2 3.85Å; W152-T156 HydrophobicContact CZ2-CG2 3.69Å; W152-T156 HydrophobicContact CZ3-CG2 3.99Å; W152-T156 WeakPolarHBondContact O-CB 3.45Å; W152-T156 VanDerWaalsContact O-CG2 3.31Å; W152-T156 WeakPolarHBondContact O-CG2 3.34Å; W152-T156 PolarHBondContact O-N 3.32Å; W152-T156 PolarHBondContact O-OG1 2.66Å; L153-T156 PolarHBondContact O-OG1 3.22Å; L153-T156 VanDerWaalsContact O-OG1 3.07Å; T156-G160 PolarHBondContact O-N 3.18Å; T156-F199 HydrophobicContact CG2-CE2 4.48Å
157	L	98.8	Very high	97.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-44.3	172.3	-74.2	172.3	0	0	0	111.5	R64 M65 A104 L153 C154 G160 S161	R64-L157 HydrophobicContact CB-CD1 3.61Å; M65-L157 HydrophobicContact CG-CB 3.97Å; M65-L157 HydrophobicContact CG-CD1 4.42Å; M65-L157 HydrophobicContact SD-CB 4.37Å; A104-L157 HydrophobicContact CB-CD2 4.11Å; L153-L157 HydrophobicContact CD1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.03Å; L153-L157 WeakPolarHBondContact O-CB 3.34Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.07Å; C154-L157 PolarHBondContact O-N 3.23Å; L157-G160 PolarHBondContact O-N 3.39Å; L157-S161 WeakPolarHBondContact O-CB 3.48Å; L157-S161 PolarHBondContact O-N 3.39Å; L157-S161 PolarHBondContact O-OG 2.9Å
158	A	98.7	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.8	-53.1	179.2	0	0	0	0	0	111.6	M65 C154 A155 S161 V162 I181	M65-A158 HydrophobicContact SD-CB 4.18Å; C154-A158 WeakPolarHBondContact O-CB 3.49Å; C154-A158 PolarHBondContact O-N 2.99Å; A155-A158 PolarHBondContact O-N 3.33Å; A158-S161 PolarHBondContact O-N 3.38Å; A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 3.22Å; A158-I181 HydrophobicContact CB-CB 3.95Å; A158-I181 HydrophobicContact CB-CD1 3.94Å; A158-I181 HydrophobicContact CB-CG2 4.48Å
159	A	98.6	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.7	-43.5	179.1	0	0	0	0	0	112.2	I107 A155 S161 V162 K163 N201 I204	I107-A159 HydrophobicContact CB-CB 3.9Å; I107-A159 HydrophobicContact CG1-CB 4.14Å; I107-A159 HydrophobicContact CG2-CB 3.95Å; A155-A159 PolarHBondContact O-N 3.07Å; A159-S161 PolarHBondContact O-N 3.28Å; A159-V162 PolarHBondContact O-N 3.35Å; A159-K163 PolarHBondContact O-N 3.29Å; A159-N201 WeakPolarHBondContact CA-OD1 3.4Å; A159-N201 PolarHBondContact N-OD1 2.98Å; A159-N201 VanDerWaalsContact N-OD1 3.15Å; A159-I204 HydrophobicContact CB-CD1 4.28Å
160	G	98.5	Very high	96.6	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-69.3	-33.9	-178.2	0	0	0	0	0	112.6	C105 T156 L157 K163 H164	C105-G160 CarbonylContact O-C 3.32Å; C105-G160 VanDerWaalsContact O-C 3.32Å; C105-G160 WeakPolarHBondContact O-CA 3.17Å; T156-G160 PolarHBondContact O-N 3.18Å; L157-G160 PolarHBondContact O-N 3.39Å; G160-K163 PolarHBondContact O-N 2.89Å; G160-H164 VanDerWaalsContact O-CB 3.25Å; G160-H164 WeakPolarHBondContact O-CB 3.44Å; G160-H164 PolarHBondContact O-N 3.35Å
161	S	98.3	Very high	96	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-47	171.1	-75.6	0	0	0	0	112.7	V60 A104 C105 L157 A158 A159 L165	V60-S161 VanDerWaalsContact CG1-OG 3.25Å; V60-S161 WeakPolarHBondContact CG1-OG 3.12Å; A104-S161 WeakPolarHBondContact CA-OG 3.43Å; A104-S161 WeakPolarHBondContact CB-OG 3.42Å; C105-S161 PolarHBondContact O-N 3.35Å; L157-S161 WeakPolarHBondContact O-CB 3.48Å; L157-S161 PolarHBondContact O-N 3.39Å; L157-S161 PolarHBondContact O-OG 2.9Å; A158-S161 PolarHBondContact O-N 3.38Å; A159-S161 PolarHBondContact O-N 3.28Å; S161-L165 WeakPolarHBondContact O-CB 3.35Å; S161-L165 PolarHBondContact O-N 2.99Å
162	V	98.1	Very high	95.4	Very high	8 Å²	8	18.2 Å²	18.2	5%	0.048	9%	0.093	C	C	.	.	H	α-helix	trans	-65.1	-46.8	178.2	179	0	0	0	0	110.1	A158 A159 H164 T166 A179 I181 N201 I202 T205	A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 3.22Å; A159-V162 PolarHBondContact O-N 3.35Å; V162-H164 PolarHBondContact O-N 3.24Å; V162-T166 WeakPolarHBondContact O-CB 3.38Å; V162-T166 PolarHBondContact O-N 3.25Å; V162-T166 PolarHBondContact O-OG1 3.18Å; V162-A179 HydrophobicContact CG2-CB 3.98Å; V162-I181 HydrophobicContact CG2-CD1 3.58Å; V162-I181 HydrophobicContact CG2-CG1 4.25Å; V162-N201 HydrophobicContact CG2-CB 4.13Å; V162-I202 HydrophobicContact CG1-CD1 4.13Å; V162-T205 HydrophobicContact CG1-CG2 4.29Å; V162-T205 WeakPolarHBondContact CG1-OG1 3.33Å
163	K	96.3	Very high	95	Very high	28 Å²	28	19.6 Å²	19.6	12%	0.122	10%	0.101	C	C	.	.	H	α-helix	trans	-58.7	-51	177.7	-180	178.2	176.6	-73	0	111.8	I107 D111 A159 G160 T166 E167 T205 S208	I107-K163 HydrophobicContact CD1-CB 3.99Å; I107-K163 HydrophobicContact CD1-CD 3.43Å; I107-K163 VanDerWaalsContact CD1-CD 3.43Å; I107-K163 HydrophobicContact CD1-CG 4.34Å; D111-K163 WeakPolarHBondContact OD2-CD 3.36Å; D111-K163 VanDerWaalsContact OD2-CE 3.24Å; D111-K163 WeakPolarHBondContact OD2-CE 3.31Å; D111-K163 IonicContact OD2-NZ 2.63Å; A159-K163 PolarHBondContact O-N 3.29Å; G160-K163 PolarHBondContact O-N 2.89Å; K163-T166 PolarHBondContact O-N 3.2Å; K163-E167 HydrophobicContact CG-CG 4.49Å; K163-E167 IonicContact NZ-OE1 2.85Å; K163-E167 PolarHBondContact NZ-OE1 3.07Å; K163-E167 IonicContact NZ-OE2 3.89Å; K163-E167 PolarHBondContact NZ-OE2 3.35Å; K163-E167 WeakPolarHBondContact O-CG 3.36Å; K163-E167 PolarHBondContact O-N 2.86Å; K163-T205 WeakPolarHBondContact CA-OG1 3.48Å; K163-T205 PolarHBondContact N-OG1 3.29Å; K163-S208 WeakPolarHBondContact CE-OG 3.24Å
164	H	96.1	Very high	94.7	Very high	55 Å²	55	16.8 Å²	16.8	26%	0.255	9%	0.087	S	C	.	.	H	α-helix	trans	-65.4	-44.4	-175.8	-176.3	51.8	0	0	0	112.2	V102 C105 G160 V162 T166 E167 L168	V102-H164 VanDerWaalsContact CG1-CD2 3.5Å; V102-H164 WeakPolarHBondContact CG1-CD2 3.42Å; C105-H164 WeakPolarHBondContact SG-CB 3.31Å; G160-H164 VanDerWaalsContact O-CB 3.25Å; G160-H164 WeakPolarHBondContact O-CB 3.44Å; G160-H164 PolarHBondContact O-N 3.35Å; V162-H164 PolarHBondContact O-N 3.24Å; H164-T166 VanDerWaalsContact C-N 3.26Å; H164-T166 PolarHBondContact O-N 3.39Å; H164-E167 PolarHBondContact O-N 2.84Å; H164-L168 WeakPolarHBondContact O-CG 3.38Å; H164-L168 PolarHBondContact O-N 3.21Å; H164-L168 VanDerWaalsContact O-N 3.07Å
165	L	96.4	Very high	94.3	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-58.2	-42.5	174.8	-178.9	62.7	0	0	0	111.2	V60 V102 S161 L168 V169 L174 A179 L355	V60-L165 HydrophobicContact CG2-CB 4.04Å; V60-L165 HydrophobicContact CG2-CD1 4.3Å; V60-L165 HydrophobicContact CG2-CD2 4.13Å; V60-L165 HydrophobicContact CG2-CG 4.4Å; V102-L165 HydrophobicContact CB-CD1 4.38Å; V102-L165 HydrophobicContact CG2-CD1 3.96Å; S161-L165 WeakPolarHBondContact O-CB 3.35Å; S161-L165 PolarHBondContact O-N 2.99Å; L165-L168 PolarHBondContact O-N 2.65Å; L165-V169 PolarHBondContact O-N 2.66Å; L165-L174 HydrophobicContact CD1-CD1 3.75Å; L165-A179 HydrophobicContact CD2-CB 3.97Å; L165-L355 HydrophobicContact CG-CD2 4.5Å
166	T	94.2	Very high	94.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-67.7	-40.2	178.2	-51.8	0	0	0	0	111.6	V162 K163 H164 L168 V169 V170 T205 L209 L318 L320	V162-T166 WeakPolarHBondContact O-CB 3.38Å; V162-T166 PolarHBondContact O-N 3.25Å; V162-T166 PolarHBondContact O-OG1 3.18Å; K163-T166 PolarHBondContact O-N 3.2Å; H164-T166 VanDerWaalsContact C-N 3.26Å; H164-T166 PolarHBondContact O-N 3.39Å; T166-L168 VanDerWaalsContact C-N 3.27Å; T166-L168 PolarHBondContact O-N 2.78Å; T166-V169 PolarHBondContact O-N 2.83Å; T166-V170 HydrophobicContact CG2-CG1 4.21Å; T166-V170 WeakPolarHBondContact O-CG1 3.33Å; T166-V170 WeakPolarHBondContact O-CG2 3.16Å; T166-V170 PolarHBondContact O-N 2.8Å; T166-T205 HydrophobicContact CG2-CG2 3.98Å; T166-L209 HydrophobicContact CG2-CD1 3.4Å; T166-L209 VanDerWaalsContact CG2-CD1 3.4Å; T166-L318 HydrophobicContact CG2-CD1 4.05Å; T166-L318 HydrophobicContact CG2-CD2 3.64Å; T166-L318 HydrophobicContact CG2-CG 4.46Å; T166-L320 HydrophobicContact CG2-CD2 3.88Å
167	E	92.4	Very high	94	Very high	33 Å²	33	20.4 Å²	20.4	15%	0.154	11%	0.11	C	C	.	.	H	α-helix	trans	-57.4	-39.3	173.9	-79.7	-176.6	119.6	0	0	112.1	K163 H164 V170 T171 L209 K214	K163-E167 HydrophobicContact CG-CG 4.49Å; K163-E167 IonicContact NZ-OE1 2.85Å; K163-E167 PolarHBondContact NZ-OE1 3.07Å; K163-E167 IonicContact NZ-OE2 3.89Å; K163-E167 PolarHBondContact NZ-OE2 3.35Å; K163-E167 WeakPolarHBondContact O-CG 3.36Å; K163-E167 PolarHBondContact O-N 2.86Å; H164-E167 PolarHBondContact O-N 2.84Å; E167-V170 WeakPolarHBondContact O-CG2 3.37Å; E167-T171 WeakPolarHBondContact O-CB 3.45Å; E167-T171 VanDerWaalsContact O-CG2 3.3Å; E167-T171 WeakPolarHBondContact O-CG2 3.26Å; E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 VanDerWaalsContact O-N 3.09Å; E167-T171 PolarHBondContact O-OG1 3.15Å; E167-L209 HydrophobicContact CG-CD2 4.1Å; E167-K214 IonicContact OE1-NZ 3.5Å; E167-K214 PolarHBondContact OE1-NZ 3.29Å
168	L	92.1	Very high	93.9	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.105	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-36.2	175.1	-66	176.1	0	0	0	112.4	V102 H164 L165 T166 T171 N172 Q173 L174	V102-L168 HydrophobicContact CB-CD1 4.42Å; V102-L168 HydrophobicContact CG1-CD1 3.75Å; V102-L168 HydrophobicContact CG2-CD1 3.73Å; H164-L168 WeakPolarHBondContact O-CG 3.38Å; H164-L168 PolarHBondContact O-N 3.21Å; H164-L168 VanDerWaalsContact O-N 3.07Å; L165-L168 PolarHBondContact O-N 2.65Å; T166-L168 VanDerWaalsContact C-N 3.27Å; T166-L168 PolarHBondContact O-N 2.78Å; L168-T171 PolarHBondContact O-OG1 3.2Å; L168-N172 PolarHBondContact O-N 3.47Å; L168-Q173 HydrophobicContact CB-CB 4.36Å; L168-Q173 HydrophobicContact CD2-CB 4.2Å; L168-Q173 WeakPolarHBondContact O-CA 3.21Å; L168-Q173 WeakPolarHBondContact O-CB 3.38Å; L168-Q173 PolarHBondContact O-N 3.36Å; L168-L174 HydrophobicContact CB-CD1 3.68Å; L168-L174 HydrophobicContact CB-CG 4.02Å; L168-L174 HydrophobicContact CD1-CD1 3.87Å; L168-L174 HydrophobicContact CG-CD1 4.45Å; L168-L174 PolarHBondContact O-N 3.2Å
169	V	91.2	Very high	93.8	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.055	12%	0.116	C	C	.	.	H	α-helix	trans	-70.4	-48.7	176.7	171	0	0	0	0	111.7	L165 T166 T171 N172 L174 L355 V357	L165-V169 PolarHBondContact O-N 2.66Å; T166-V169 PolarHBondContact O-N 2.83Å; V169-T171 PolarHBondContact O-N 3.25Å; V169-N172 PolarHBondContact O-N 3.15Å; V169-L174 HydrophobicContact CG2-CB 3.8Å; V169-L355 HydrophobicContact CB-CD2 4.09Å; V169-L355 HydrophobicContact CG1-CD2 4.34Å; V169-L355 HydrophobicContact CG2-CD2 3.68Å; V169-V357 HydrophobicContact CG1-CB 4.49Å; V169-V357 HydrophobicContact CG1-CG2 3.46Å; V169-V357 VanDerWaalsContact CG1-CG2 3.46Å
170	V	88.8	Confident	93.8	Very high	17 Å²	17	21.6 Å²	21.6	10%	0.103	12%	0.116	C	C	.	.	H	α-helix	trans	-67.9	-23.4	-179.7	-56.6	0	0	0	0	112.7	T166 E167 N172 L209 I216 L224 L318	T166-V170 HydrophobicContact CG2-CG1 4.21Å; T166-V170 WeakPolarHBondContact O-CG1 3.33Å; T166-V170 WeakPolarHBondContact O-CG2 3.16Å; T166-V170 PolarHBondContact O-N 2.8Å; E167-V170 WeakPolarHBondContact O-CG2 3.37Å; V170-N172 VanDerWaalsContact C-N 3.3Å; V170-L209 HydrophobicContact CG1-CD1 4.49Å; V170-L209 HydrophobicContact CG2-CD2 4.22Å; V170-I216 HydrophobicContact CB-CD1 4.04Å; V170-I216 HydrophobicContact CB-CG1 4.35Å; V170-I216 WeakPolarHBondContact O-CG2 3.24Å; V170-L224 HydrophobicContact CG1-CD1 4.01Å; V170-L318 HydrophobicContact CG1-CD1 4.05Å; V170-L318 HydrophobicContact CG1-CD2 4Å
171	T	86.5	Confident	93.8	Very high	48 Å²	48	21.5 Å²	21.5	29%	0.294	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	10.1	172.6	57.7	0	0	0	0	113.4	E167 L168 V169 Q173	E167-T171 WeakPolarHBondContact O-CB 3.45Å; E167-T171 VanDerWaalsContact O-CG2 3.3Å; E167-T171 WeakPolarHBondContact O-CG2 3.26Å; E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 VanDerWaalsContact O-N 3.09Å; E167-T171 PolarHBondContact O-OG1 3.15Å; L168-T171 PolarHBondContact O-OG1 3.2Å; V169-T171 PolarHBondContact O-N 3.25Å; T171-Q173 PolarHBondContact O-N 2.98Å; T171-Q173 PolarHBondContact OG1-NE2 3.22Å
172	N	85.7	Confident	93.7	Very high	52 Å²	52	21.5 Å²	21.5	28%	0.278	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	22	176.1	-159.4	43.3	0	0	0	114.5	S54 L168 V169 V170 L174 K218	S54-N172 WeakPolarHBondContact CB-O 3.45Å; S54-N172 WeakPolarHBondContact CB-OD1 3.37Å; L168-N172 PolarHBondContact O-N 3.47Å; V169-N172 PolarHBondContact O-N 3.15Å; V170-N172 VanDerWaalsContact C-N 3.3Å; N172-L174 VanDerWaalsContact C-N 3.33Å; N172-K218 HydrophobicContact CB-CB 4.47Å; N172-K218 HydrophobicContact CB-CD 4.36Å; N172-K218 WeakPolarHBondContact OD1-CD 3.45Å; N172-K218 WeakPolarHBondContact OD1-CE 3.4Å
173	Q	89.8	Confident	93.8	Very high	70 Å²	70	21.1 Å²	21.1	33%	0.327	11%	0.113	S	C	.	.	S	Bend	trans	-79.4	-22.8	170.6	-63.9	178.2	68.5	0	0	111.2	L51 L168 T171	L51-Q173 HydrophobicContact CD1-CB 4.43Å; L168-Q173 HydrophobicContact CB-CB 4.36Å; L168-Q173 HydrophobicContact CD2-CB 4.2Å; L168-Q173 WeakPolarHBondContact O-CA 3.21Å; L168-Q173 WeakPolarHBondContact O-CB 3.38Å; L168-Q173 PolarHBondContact O-N 3.36Å; T171-Q173 PolarHBondContact O-N 2.98Å; T171-Q173 PolarHBondContact OG1-NE2 3.22Å
174	L	92	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.			trans	-134	154.2	173.9	-65	174.6	0	0	0	110.2	L51 S54 I100 V102 L165 L168 V169 N172	L51-L174 HydrophobicContact CD1-CD2 3.86Å; L51-L174 HydrophobicContact CD1-CG 4.34Å; S54-L174 CarbonylContact O-C 3.54Å; I100-L174 HydrophobicContact CB-CD2 4.17Å; I100-L174 HydrophobicContact CD1-CD2 3.52Å; I100-L174 HydrophobicContact CG1-CD2 4.43Å; V102-L174 HydrophobicContact CG2-CD1 3.94Å; L165-L174 HydrophobicContact CD1-CD1 3.75Å; L168-L174 HydrophobicContact CB-CD1 3.68Å; L168-L174 HydrophobicContact CB-CG 4.02Å; L168-L174 HydrophobicContact CD1-CD1 3.87Å; L168-L174 HydrophobicContact CG-CD1 4.45Å; L168-L174 PolarHBondContact O-N 3.2Å; V169-L174 HydrophobicContact CG2-CB 3.8Å; N172-L174 VanDerWaalsContact C-N 3.33Å
175	S	91	Very high	93.9	Very high	32 Å²	32	18.6 Å²	18.6	22%	0.224	11%	0.106	C	C	.	.	S	Bend	trans	-78.3	-44.2	172.2	-87.2	0	0	0	0	111.8	S54 Q55 S56	S54-S175 WeakPolarHBondContact O-CA 3.15Å; S54-S175 VanDerWaalsContact O-CB 3.3Å; S54-S175 WeakPolarHBondContact O-CB 3.47Å; S54-S175 PolarHBondContact O-N 2.79Å; S54-S175 PolarHBondContact O-OG 2.93Å; Q55-S175 VanDerWaalsContact CA-OG 3.28Å; Q55-S175 WeakPolarHBondContact CA-OG 3.22Å; S56-S175 PolarHBondContact O-N 3.49Å
176	N	95	Very high	94	Very high	44 Å²	44	19 Å²	19	24%	0.235	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	-179.2	-175	55	48.3	0	0	0	109.2	T57 G58 L355	T57-N176 WeakPolarHBondContact CA-O 3.39Å; T57-N176 WeakPolarHBondContact CA-OD1 3.36Å; T57-N176 VanDerWaalsContact CB-OD1 3.26Å; T57-N176 WeakPolarHBondContact CB-OD1 2.89Å; T57-N176 VanDerWaalsContact CG2-OD1 3.25Å; T57-N176 WeakPolarHBondContact CG2-OD1 3.41Å; T57-N176 PolarHBondContact OG1-OD1 2.82Å; G58-N176 PolarHBondContact N-O 3.26Å; N176-L355 WeakPolarHBondContact CB-O 3.42Å
177	G	95.8	Very high	94.2	Very high	5 Å²	5	19.2 Å²	19.2	5%	0.052	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	171.9	177.4	0	0	0	0	0	116	G58 L355	G58-G177 CarbonylContact O-C 3.55Å; G58-G177 WeakPolarHBondContact O-CA 3.17Å; G177-L355 PolarHBondContact N-O 3.41Å; G177-L355 WeakPolarHBondContact O-CA 3.47Å; G177-L355 VanDerWaalsContact O-CB 3.22Å; G177-L355 WeakPolarHBondContact O-CB 3.44Å; G177-L355 PolarHBondContact O-N 3.28Å; G177-L355 VanDerWaalsContact O-O 3.11Å
178	L	96.1	Very high	94.5	Very high	21 Å²	21	17.7 Å²	17.7	11%	0.11	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.8	173.4	176.1	59	0	0	0	109.5	G58 L59 V60 L180 S353 F354	G58-L178 PolarHBondContact O-N 3.21Å; L59-L178 WeakPolarHBondContact CA-O 3.42Å; L59-L178 HydrophobicContact CD1-CB 4.01Å; L59-L178 HydrophobicContact CD1-CD2 4.04Å; L59-L178 HydrophobicContact CD1-CG 4Å; V60-L178 PolarHBondContact N-O 3.01Å; L178-L180 HydrophobicContact CD1-CD2 4.12Å; L178-L180 HydrophobicContact CD2-CD2 3.92Å; L178-L180 HydrophobicContact CD2-CG 4.41Å; L178-L180 HydrophobicContact CG-CD2 3.9Å; L178-L180 HydrophobicContact CG-CG 4.27Å; L178-S353 VanDerWaalsContact CD1-O 3.28Å; L178-S353 WeakPolarHBondContact CD1-O 3.49Å; L178-F354 HydrophobicContact CD1-CB 4.42Å; L178-F354 HydrophobicContact CD1-CD1 4.2Å; L178-F354 HydrophobicContact CD1-CD2 3.31Å; L178-F354 HydrophobicContact CD1-CE1 4.3Å; L178-F354 HydrophobicContact CD1-CE2 3.45Å; L178-F354 VanDerWaalsContact CD1-CE2 3.45Å; L178-F354 HydrophobicContact CD1-CG 3.74Å; L178-F354 HydrophobicContact CD1-CZ 3.98Å; L178-F354 HydrophobicContact CD2-CE1 4.43Å; L178-F354 HydrophobicContact CD2-CE2 4.23Å; L178-F354 HydrophobicContact CD2-CZ 4.05Å
179	A	97.7	Very high	94.8	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.033	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	100.4	176.3	0	0	0	0	0	109.9	V60 V162 L165 I181 S352 S353	V60-A179 HydrophobicContact CB-CB 4.39Å; V162-A179 HydrophobicContact CG2-CB 3.98Å; L165-A179 HydrophobicContact CD2-CB 3.97Å; A179-I181 VanDerWaalsContact C-N 3.3Å; A179-I181 HydrophobicContact CB-CG1 4.47Å; A179-I181 HydrophobicContact CB-CG2 3.9Å; A179-I181 WeakPolarHBondContact O-CG1 3.05Å; A179-I181 PolarHBondContact O-N 2.73Å; A179-S352 VanDerWaalsContact O-O 3.1Å; A179-S353 PolarHBondContact N-O 3.46Å
180	L	97.3	Very high	95.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	81.2	175.2	-59.8	-175.2	0	0	0	109.8	L59 V60 Y61 M65 F87 L178 L351	L59-L180 HydrophobicContact CD1-CD1 4.11Å; L59-L180 HydrophobicContact CD1-CG 4.07Å; V60-L180 WeakPolarHBondContact O-CB 3.2Å; V60-L180 PolarHBondContact O-N 3.07Å; Y61-L180 HydrophobicContact CD2-CB 4.13Å; Y61-L180 HydrophobicContact CD2-CD1 4.44Å; M65-L180 WeakPolarHBondContact CE-O 3.33Å; F87-L180 HydrophobicContact CB-CD1 3.84Å; F87-L180 HydrophobicContact CD2-CD1 3.96Å; F87-L180 HydrophobicContact CG-CD1 4.4Å; L178-L180 HydrophobicContact CD1-CD2 4.12Å; L178-L180 HydrophobicContact CD2-CD2 3.92Å; L178-L180 HydrophobicContact CD2-CG 4.41Å; L178-L180 HydrophobicContact CG-CD2 3.9Å; L178-L180 HydrophobicContact CG-CG 4.27Å; L180-L351 HydrophobicContact CD2-CD2 3.14Å; L180-L351 HydrophobicContact CG-CD2 4.48Å
181	I	98.3	Very high	95.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.144	C	C	.	.			trans	-116.5	153.2	-168.4	55.8	143.3	0	0	0	113.1	M65 A158 V162 A179 N201 S352	M65-I181 HydrophobicContact CE-CB 4.38Å; M65-I181 HydrophobicContact CE-CG2 3.91Å; M65-I181 HydrophobicContact SD-CB 3.84Å; M65-I181 HydrophobicContact SD-CG2 3.8Å; A158-I181 HydrophobicContact CB-CB 3.95Å; A158-I181 HydrophobicContact CB-CD1 3.94Å; A158-I181 HydrophobicContact CB-CG2 4.48Å; V162-I181 HydrophobicContact CG2-CD1 3.58Å; V162-I181 HydrophobicContact CG2-CG1 4.25Å; A179-I181 VanDerWaalsContact C-N 3.3Å; A179-I181 HydrophobicContact CB-CG1 4.47Å; A179-I181 HydrophobicContact CB-CG2 3.9Å; A179-I181 WeakPolarHBondContact O-CG1 3.05Å; A179-I181 PolarHBondContact O-N 2.73Å; I181-N201 HydrophobicContact CD1-CB 4.04Å; I181-N201 VanDerWaalsContact CD1-ND2 3.31Å; I181-N201 WeakPolarHBondContact CD1-ND2 3.47Å; I181-S352 PolarHBondContact O-OG 3.35Å
182	R	98	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-154.6	148.3	165.8	59.7	-176	-64.7	-81.8	3.7	111.3	M65 H68 E78 I83	M65-R182 HydrophobicContact CB-CG 4.04Å; M65-R182 WeakPolarHBondContact O-CG 3.06Å; M65-R182 PolarHBondContact O-NH1 3.36Å; H68-R182 PolarHBondContact O-NH1 2.89Å; H68-R182 PolarHBondContact O-NH2 2.88Å; E78-R182 IonicContact OE1-CZ 3.77Å; E78-R182 IonicContact OE1-NE 3.33Å; E78-R182 PolarHBondContact OE1-NE 3.07Å; E78-R182 IonicContact OE1-NH2 3.82Å; E78-R182 PolarHBondContact OE1-NH2 2.82Å; E78-R182 IonicContact OE2-CZ 3.37Å; E78-R182 IonicContact OE2-NE 3.95Å; E78-R182 IonicContact OE2-NH2 3.93Å; E78-R182 PolarHBondContact OE2-NH2 3.47Å; I83-R182 HydrophobicContact CD1-CG 3.78Å; I83-R182 HydrophobicContact CG1-CG 4.07Å; I83-R182 HydrophobicContact CG2-CB 4.28Å; I83-R182 HydrophobicContact CG2-CG 4.17Å
183	P	98.2	Very high	96.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.133	C	C	.	.	S	Bend	cis	-65.3	161.7	3.3	26.7	-35.4	0	0	0	115	A155 Y196 I198 N201	A155-P183 HydrophobicContact CB-CG 3.81Å; P183-Y196 WeakPolarHBondContact CB-O 3.34Å; P183-I198 HydrophobicContact CB-CG1 4.13Å; P183-I198 HydrophobicContact CG-CB 4.22Å; P183-I198 HydrophobicContact CG-CG1 3.73Å; P183-N201 PolarHBondContact O-ND2 2.83Å
184	P	98	Very high	97.2	Very high	23 Å²	23	23.2 Å²	23.2	15%	0.149	12%	0.119	C	C	.	.			trans	-64.6	179.6	170.4	30.6	-35.4	0	0	0	111.5	C197	P184-C197 WeakPolarHBondContact O-CA 3.22Å
185	G	98.5	Very high	97.4	Very high	7 Å²	7	23.5 Å²	23.5	7%	0.072	12%	0.122	C	C	.	.			trans	-138.3	-30.4	-171.7	0	0	0	0	0	118.6	H187 A188 C197 F199 N200 N201	G185-H187 PolarHBondContact O-N 2.84Å; G185-A188 WeakPolarHBondContact O-CB 3.49Å; G185-A188 PolarHBondContact O-N 3.32Å; G185-C197 VanDerWaalsContact C-SG 3.51Å; G185-C197 PolarHBondContact N-SG 3.02Å; G185-F199 WeakPolarHBondContact CA-O 3.48Å; G185-N200 VanDerWaalsContact O-CA 3.3Å; G185-N200 WeakPolarHBondContact O-CA 3.25Å; G185-N200 WeakPolarHBondContact O-CB 3.36Å; G185-N201 PolarHBondContact N-ND2 3.32Å
186	H	98.3	Very high	97.6	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.051	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.1	-163.2	70.9	157.8	0	0	0	116.1	D231 D233 H235 G237 G239 T240	H186-D231 IonicContact CE1-OD1 3.65Å; H186-D231 IonicContact CE1-OD2 3.4Å; H186-D231 IonicContact CG-OD2 2.89Å; H186-D231 IonicContact ND1-OD1 3.74Å; H186-D231 PolarHBondContact ND1-OD1 3.2Å; H186-D231 IonicContact ND1-OD2 3.87Å; H186-D231 PolarHBondContact ND1-OD2 3.36Å; H186-D233 VanDerWaalsContact CE1-CB 3.42Å; H186-D233 WeakPolarHBondContact CE1-CB 3.44Å; H186-D233 IonicContact CE1-OD1 3.5Å; H186-D233 PolarHBondContact CE1-OD1 3.49Å; H186-D233 IonicContact CE1-OD2 2.68Å; H186-D233 IonicContact NE2-OD1 2.65Å; H186-D233 IonicContact NE2-OD2 3.2Å; H186-H235 PolarHBondContact CE1-O 3.07Å; H186-G237 WeakPolarHBondContact ND1-CA 3.5Å; H186-G237 CarbonylContact O-C 3.47Å; H186-G237 VanDerWaalsContact O-C 3.27Å; H186-G237 WeakPolarHBondContact O-CA 3.29Å; H186-G239 WeakPolarHBondContact O-CA 3.26Å; H186-G239 PolarHBondContact O-N 3.05Å; H186-G239 VanDerWaalsContact O-N 3.1Å; H186-T240 WeakPolarHBondContact CA-OG1 3.15Å; H186-T240 PolarHBondContact O-N 3.17Å; H186-T240 VanDerWaalsContact O-N 3.13Å; H186-T240 PolarHBondContact O-OG1 3.06Å
187	H	98.2	Very high	97.8	Very high	6 Å²	6	23 Å²	23	3%	0.028	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-17.9	174.1	-58.1	-52.3	0	0	0	113.8	G185 M189 C194 G195 C197 H235 H236 Q238 W264	G185-H187 PolarHBondContact O-N 2.84Å; H187-M189 WeakPolarHBondContact O-CG 3.3Å; H187-M189 PolarHBondContact O-N 3.27Å; H187-C194 HydrophobicContact CB-CB 4.1Å; H187-C194 VanDerWaalsContact CB-O 3.28Å; H187-C194 WeakPolarHBondContact CB-O 3.4Å; H187-G195 PolarHBondContact CD2-O 3.06Å; H187-C197 HydrophobicContact CB-CB 4.04Å; H187-H235 VanDerWaalsContact CE1-CB 3.47Å; H187-H235 WeakPolarHBondContact CE1-CB 3.26Å; H187-H236 PolarHBondContact CE1-O 3.41Å; H187-H236 PolarHBondContact ND1-O 3.35Å; H187-H236 VanDerWaalsContact ND1-O 3.08Å; H187-Q238 PolarHBondContact ND1-OE1 2.65Å; H187-W264 HydrophobicContact CB-CH2 4.39Å; H187-W264 AromaticContact CD2-CH2 3.55Å; H187-W264 AromaticContact CD2-CZ3 3.75Å; H187-W264 AromaticContact CE1-CH2 3.71Å; H187-W264 AromaticContact CE1-CZ3 3.36Å; H187-W264 WeakPolarHBondContact CE1-CZ3 3.46Å; H187-W264 AromaticContact CG-CH2 3.68Å; H187-W264 AromaticContact ND1-CH2 3.77Å; H187-W264 AromaticContact ND1-CZ3 3.88Å; H187-W264 AromaticContact NE2-CH2 3.55Å; H187-W264 AromaticContact NE2-CZ3 3.22Å; H187-W264 WeakPolarHBondContact NE2-CZ3 3.37Å
188	A	98.6	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.			trans	-65	123.3	-176.7	0	0	0	0	0	109.9	G185 C197 N200 G239	G185-A188 WeakPolarHBondContact O-CB 3.49Å; G185-A188 PolarHBondContact O-N 3.32Å; A188-C197 HydrophobicContact CB-CB 3.77Å; A188-N200 HydrophobicContact CB-CB 4.19Å; A188-G239 WeakPolarHBondContact O-CA 3.28Å
189	M	98.4	Very high	98	Very high	31 Å²	31	21.8 Å²	21.8	15%	0.153	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-98.4	178.3	-176.7	-62.1	179.9	-92.6	0	0	110.6	H116 H187 S191 E192 C194 Y242	H116-M189 PolarHBondContact CE1-O 2.96Å; H116-M189 VanDerWaalsContact CE1-O 3.26Å; H116-M189 PolarHBondContact ND1-O 2.93Å; H187-M189 WeakPolarHBondContact O-CG 3.3Å; H187-M189 PolarHBondContact O-N 3.27Å; M189-S191 PolarHBondContact O-N 3.43Å; M189-S191 VanDerWaalsContact O-N 3.15Å; M189-E192 HydrophobicContact CB-CB 4.19Å; M189-E192 HydrophobicContact CE-CB 3.95Å; M189-E192 HydrophobicContact CE-CG 3.94Å; M189-E192 VanDerWaalsContact CE-OE1 3.26Å; M189-E192 WeakPolarHBondContact CE-OE1 3.46Å; M189-E192 WeakPolarHBondContact CE-OE2 3.42Å; M189-E192 PolarHBondContact N-O 3.15Å; M189-C194 HydrophobicContact CE-CB 3.98Å; M189-Y242 HydrophobicContact CG-CD2 4.05Å; M189-Y242 HydrophobicContact CG-CE2 4.24Å; M189-Y242 HydrophobicContact SD-CD2 3.99Å; M189-Y242 HydrophobicContact SD-CE2 3.67Å
190	R	98.4	Very high	98.1	Very high	170 Å²	170	21.6 Å²	21.6	64%	0.642	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-42.4	-177.9	-173.6	171.7	-177.7	157.8	8	113.4	H116 D117	H116-R190 CarbonylContact C-O 3.58Å; H116-R190 WeakPolarHBondContact CA-O 3.33Å; H116-R190 WeakPolarHBondContact CB-O 3.38Å; D117-R190 PolarHBondContact N-O 3Å; D117-R190 IonicContact OD1-CZ 3.63Å; D117-R190 IonicContact OD1-NE 2.83Å; D117-R190 PolarHBondContact OD1-NE 2.89Å; D117-R190 IonicContact OD1-NH2 2.71Å
191	S	98.2	Very high	98.2	Very high	51 Å²	51	21.7 Å²	21.7	36%	0.357	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	21.7	-174.1	-46.5	0	0	0	0	112.6	D117 Y120 M189	D117-S191 WeakPolarHBondContact CB-OG 3.23Å; D117-S191 PolarHBondContact OD2-OG 2.83Å; Y120-S191 VanDerWaalsContact CD2-O 3.28Å; Y120-S191 WeakPolarHBondContact CD2-O 3.38Å; M189-S191 PolarHBondContact O-N 3.43Å; M189-S191 VanDerWaalsContact O-N 3.15Å
192	E	98	Very high	98.1	Very high	77 Å²	77	22 Å²	22	36%	0.36	11%	0.105	S	C	.	.	B	Isolated β-bridge	trans	-148	129.1	-168.9	-162.1	-175.5	140.5	0	0	111.3	Y142 M189	Y142-E192 HydrophobicContact CD1-CB 4.49Å; Y142-E192 HydrophobicContact CD1-CG 3.57Å; Y142-E192 HydrophobicContact CE1-CB 4.44Å; Y142-E192 HydrophobicContact CE1-CG 3.91Å; M189-E192 HydrophobicContact CB-CB 4.19Å; M189-E192 HydrophobicContact CE-CB 3.95Å; M189-E192 HydrophobicContact CE-CG 3.94Å; M189-E192 VanDerWaalsContact CE-OE1 3.26Å; M189-E192 WeakPolarHBondContact CE-OE1 3.46Å; M189-E192 WeakPolarHBondContact CE-OE2 3.42Å; M189-E192 PolarHBondContact N-O 3.15Å
193	A	98.5	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.			trans	-78.2	144.6	165.2	0	0	0	0	0	108.5	Y120 Y142 V145 F147 C197 I198	Y120-A193 WeakPolarHBondContact OH-CA 3.47Å; Y120-A193 VanDerWaalsContact OH-CB 3.28Å; Y120-A193 WeakPolarHBondContact OH-CB 3.35Å; Y120-A193 PolarHBondContact OH-N 3.31Å; Y142-A193 WeakPolarHBondContact CB-O 3.18Å; Y142-A193 HydrophobicContact CD1-CB 4.15Å; Y142-A193 WeakPolarHBondContact CD1-O 2.93Å; Y142-A193 HydrophobicContact CD2-CB 4.11Å; Y142-A193 HydrophobicContact CE2-CB 4.43Å; Y142-A193 HydrophobicContact CG-CB 3.93Å; V145-A193 HydrophobicContact CB-CB 4.35Å; V145-A193 HydrophobicContact CG1-CB 3.95Å; V145-A193 HydrophobicContact CG2-CB 3.88Å; F147-A193 HydrophobicContact CE2-CB 4.44Å; F147-A193 HydrophobicContact CZ-CB 3.95Å; A193-C197 VanDerWaalsContact CA-O 3.3Å; A193-C197 WeakPolarHBondContact CA-O 3.35Å; A193-C197 WeakPolarHBondContact CB-O 3.31Å; A193-I198 HydrophobicContact CB-CD1 4.28Å
194	C	98.2	Very high	98.2	Very high	4 Å²	4	22 Å²	22	3%	0.027	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-155.9	144	-179.6	-174.1	0	0	0	0	110.2	D143 H187 M189 Y196 C197 Q238	D143-C194 CarbonylContact O-C 3.57Å; D143-C194 WeakPolarHBondContact O-CA 3.28Å; H187-C194 HydrophobicContact CB-CB 4.1Å; H187-C194 VanDerWaalsContact CB-O 3.28Å; H187-C194 WeakPolarHBondContact CB-O 3.4Å; M189-C194 HydrophobicContact CE-CB 3.98Å; C194-Y196 PolarHBondContact O-N 3.26Å; C194-C197 PolarHBondContact N-O 3.31Å; C194-C197 WeakPolarHBondContact O-CA 3.38Å; C194-C197 WeakPolarHBondContact O-CB 3.43Å; C194-C197 PolarHBondContact O-N 3.02Å; C194-Q238 PolarHBondContact SG-NE2 2.85Å; C194-Q238 VanDerWaalsContact SG-NE2 3.37Å
195	G	95.8	Very high	98.2	Very high	6 Å²	6	20.9 Å²	20.9	6%	0.062	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	55.3	172.8	0	0	0	0	0	113.6	D143 H187 C197	D143-G195 PolarHBondContact O-N 3.47Å; H187-G195 PolarHBondContact CD2-O 3.06Å; G195-C197 PolarHBondContact O-N 3.48Å; G195-C197 PolarHBondContact O-SG 2.84Å
196	Y	96.5	Very high	98.1	Very high	65 Å²	65	20.5 Å²	20.5	26%	0.255	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-3.6	-174.5	-39.6	-57.4	0	0	0	116	E78 G144 F146 P183 C194	E78-Y196 HydrophobicContact CB-CD1 3.88Å; E78-Y196 HydrophobicContact CB-CD2 3.88Å; E78-Y196 HydrophobicContact CB-CE1 4.23Å; E78-Y196 HydrophobicContact CB-CE2 4.22Å; E78-Y196 HydrophobicContact CB-CG 3.69Å; E78-Y196 HydrophobicContact CG-CD2 4.16Å; E78-Y196 HydrophobicContact CG-CG 3.93Å; G144-Y196 WeakPolarHBondContact O-CD1 3.35Å; G144-Y196 WeakPolarHBondContact O-CE1 3.43Å; G144-Y196 PolarHBondContact O-N 3.08Å; F146-Y196 HydrophobicContact CD1-CD1 4.31Å; F146-Y196 AromaticContact CE1-CD1 3.87Å; F146-Y196 HydrophobicContact CE1-CD1 3.87Å; F146-Y196 HydrophobicContact CE1-CE1 4.31Å; P183-Y196 WeakPolarHBondContact CB-O 3.34Å; C194-Y196 PolarHBondContact O-N 3.26Å
197	C	98.4	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-89.4	128.2	-177.4	-56	0	0	0	0	110.8	P184 G185 H187 A188 A193 C194 G195	P184-C197 WeakPolarHBondContact O-CA 3.22Å; G185-C197 VanDerWaalsContact C-SG 3.51Å; G185-C197 PolarHBondContact N-SG 3.02Å; H187-C197 HydrophobicContact CB-CB 4.04Å; A188-C197 HydrophobicContact CB-CB 3.77Å; A193-C197 VanDerWaalsContact CA-O 3.3Å; A193-C197 WeakPolarHBondContact CA-O 3.35Å; A193-C197 WeakPolarHBondContact CB-O 3.31Å; C194-C197 PolarHBondContact N-O 3.31Å; C194-C197 WeakPolarHBondContact O-CA 3.38Å; C194-C197 WeakPolarHBondContact O-CB 3.43Å; C194-C197 PolarHBondContact O-N 3.02Å; G195-C197 PolarHBondContact O-N 3.48Å; G195-C197 PolarHBondContact O-SG 2.84Å
198	I	98.7	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-100.3	-51.4	177.8	-50.4	-58.4	0	0	0	110.6	Y120 I124 V145 F147 T151 A155 P183 A193	Y120-I198 PolarHBondContact OH-O 3.44Å; I124-I198 HydrophobicContact CG1-CG2 4.39Å; I124-I198 HydrophobicContact CG2-CG2 3.63Å; V145-I198 HydrophobicContact CG1-CD1 3.45Å; V145-I198 VanDerWaalsContact CG1-CD1 3.45Å; F147-I198 HydrophobicContact CD1-CD1 4.36Å; F147-I198 HydrophobicContact CE1-CD1 3.65Å; F147-I198 HydrophobicContact CE1-CG2 4.31Å; F147-I198 HydrophobicContact CE2-CD1 4.36Å; F147-I198 HydrophobicContact CZ-CD1 3.66Å; T151-I198 HydrophobicContact CG2-CD1 3.91Å; T151-I198 HydrophobicContact CG2-CG1 3.76Å; A155-I198 HydrophobicContact CB-CB 3.92Å; A155-I198 HydrophobicContact CB-CG1 4.38Å; A155-I198 HydrophobicContact CB-CG2 3.96Å; P183-I198 HydrophobicContact CB-CG1 4.13Å; P183-I198 HydrophobicContact CG-CB 4.22Å; P183-I198 HydrophobicContact CG-CG1 3.73Å; A193-I198 HydrophobicContact CB-CD1 4.28Å
199	F	98.8	Very high	97.6	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	10%	0.104	C	C	.	.	S	Bend	trans	-127.4	144.9	176	-67.1	-50.4	0	0	0	109.3	L112 H116 Y120 V121 I124 W152 A155 T156 G185 N201 I204	L112-F199 HydrophobicContact CD1-CD2 4.4Å; L112-F199 HydrophobicContact CD1-CE1 4.44Å; L112-F199 HydrophobicContact CD1-CE2 3.93Å; L112-F199 HydrophobicContact CD1-CZ 3.97Å; L112-F199 HydrophobicContact CD2-CB 4.06Å; L112-F199 HydrophobicContact CD2-CD1 3.82Å; L112-F199 HydrophobicContact CD2-CD2 3.64Å; L112-F199 HydrophobicContact CD2-CE1 4.15Å; L112-F199 HydrophobicContact CD2-CE2 4Å; L112-F199 HydrophobicContact CD2-CG 3.57Å; L112-F199 HydrophobicContact CD2-CZ 4.25Å; H116-F199 AromaticContact CD2-CD1 3.61Å; H116-F199 AromaticContact CG-CD1 4Å; H116-F199 AromaticContact NE2-CD1 3.73Å; Y120-F199 AromaticContact CD1-CE1 3.98Å; Y120-F199 HydrophobicContact CD1-CE1 3.98Å; Y120-F199 AromaticContact CE1-CD1 3.87Å; Y120-F199 HydrophobicContact CE1-CD1 3.87Å; Y120-F199 AromaticContact CE1-CE1 3.56Å; Y120-F199 HydrophobicContact CE1-CE1 3.56Å; V121-F199 HydrophobicContact CG2-CE1 4.26Å; I124-F199 HydrophobicContact CB-CZ 3.98Å; I124-F199 HydrophobicContact CG1-CZ 4.37Å; I124-F199 HydrophobicContact CG2-CE2 4.21Å; I124-F199 HydrophobicContact CG2-CZ 3.89Å; W152-F199 AromaticContact CE3-CE2 3.93Å; W152-F199 HydrophobicContact CE3-CE2 3.93Å; W152-F199 HydrophobicContact CE3-CZ 4.15Å; W152-F199 AromaticContact CZ3-CE2 3.72Å; W152-F199 HydrophobicContact CZ3-CE2 3.72Å; W152-F199 AromaticContact CZ3-CZ 3.7Å; W152-F199 HydrophobicContact CZ3-CZ 3.7Å; A155-F199 HydrophobicContact CB-CD2 3.74Å; A155-F199 HydrophobicContact CB-CE2 4.17Å; T156-F199 HydrophobicContact CG2-CE2 4.48Å; G185-F199 WeakPolarHBondContact CA-O 3.48Å; F199-N201 PolarHBondContact O-N 3.44Å; F199-I204 HydrophobicContact CB-CD1 3.77Å
200	N	98.8	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.			trans	-81.7	88.5	-178.3	-167.2	-34.7	0	0	0	110.6	V115 H116 G185 A188 I202 A203 I204 G239 T240	V115-N200 HydrophobicContact CG1-CB 4.42Å; H116-N200 PolarHBondContact NE2-N 3.17Å; G185-N200 VanDerWaalsContact O-CA 3.3Å; G185-N200 WeakPolarHBondContact O-CA 3.25Å; G185-N200 WeakPolarHBondContact O-CB 3.36Å; A188-N200 HydrophobicContact CB-CB 4.19Å; N200-I202 PolarHBondContact O-N 2.73Å; N200-I202 PolarHBondContact OD1-N 3.4Å; N200-A203 HydrophobicContact CB-CB 3.85Å; N200-A203 PolarHBondContact O-N 2.73Å; N200-A203 WeakPolarHBondContact OD1-CB 3.5Å; N200-A203 PolarHBondContact OD1-N 2.96Å; N200-I204 WeakPolarHBondContact O-CB 3.47Å; N200-I204 WeakPolarHBondContact O-CD1 3.48Å; N200-I204 VanDerWaalsContact O-CG1 3.28Å; N200-I204 WeakPolarHBondContact O-CG1 3.24Å; N200-I204 PolarHBondContact O-N 2.97Å; N200-G239 VanDerWaalsContact ND2-C 3.34Å; N200-T240 WeakPolarHBondContact ND2-CA 3.49Å; N200-T240 PolarHBondContact ND2-N 2.9Å; N200-T240 VanDerWaalsContact ND2-N 3.2Å; N200-T240 PolarHBondContact ND2-OG1 3.37Å
201	N	98.8	Very high	97	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-51	-42.4	-174.2	-55	-49.9	0	0	0	113.2	A159 V162 I181 P183 G185 F199 T205	A159-N201 WeakPolarHBondContact CA-OD1 3.4Å; A159-N201 PolarHBondContact N-OD1 2.98Å; A159-N201 VanDerWaalsContact N-OD1 3.15Å; V162-N201 HydrophobicContact CG2-CB 4.13Å; I181-N201 HydrophobicContact CD1-CB 4.04Å; I181-N201 VanDerWaalsContact CD1-ND2 3.31Å; I181-N201 WeakPolarHBondContact CD1-ND2 3.47Å; P183-N201 PolarHBondContact O-ND2 2.83Å; G185-N201 PolarHBondContact N-ND2 3.32Å; F199-N201 PolarHBondContact O-N 3.44Å; N201-T205 WeakPolarHBondContact O-CB 3.42Å; N201-T205 PolarHBondContact O-N 3.3Å; N201-T205 PolarHBondContact O-OG1 2.83Å
202	I	97.9	Very high	96.3	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.036	10%	0.095	C	C	.	.	H	α-helix	trans	-77.7	-45.4	-177.2	-69.3	-74.8	0	0	0	110.3	V162 N200 T205 A206 I229 L320	V162-I202 HydrophobicContact CG1-CD1 4.13Å; N200-I202 PolarHBondContact O-N 2.73Å; N200-I202 PolarHBondContact OD1-N 3.4Å; I202-T205 PolarHBondContact O-N 3.01Å; I202-A206 PolarHBondContact O-N 3.26Å; I202-I229 HydrophobicContact CG2-CB 4.49Å; I202-I229 HydrophobicContact CG2-CD1 3.8Å; I202-I229 HydrophobicContact CG2-CG1 3.97Å; I202-I229 HydrophobicContact CG2-CG2 3.71Å; I202-L320 HydrophobicContact CD1-CB 4.05Å; I202-L320 HydrophobicContact CG2-CB 4.11Å; I202-L320 HydrophobicContact CG2-CD1 4Å
203	A	98.5	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-43.4	178.9	0	0	0	0	0	112.2	V115 N200 T205 A206 A207 A243 F244	V115-A203 HydrophobicContact CG1-CB 4.04Å; V115-A203 HydrophobicContact CG2-CB 4.03Å; N200-A203 HydrophobicContact CB-CB 3.85Å; N200-A203 PolarHBondContact O-N 2.73Å; N200-A203 WeakPolarHBondContact OD1-CB 3.5Å; N200-A203 PolarHBondContact OD1-N 2.96Å; A203-T205 VanDerWaalsContact C-N 3.28Å; A203-T205 PolarHBondContact O-N 3.39Å; A203-A206 PolarHBondContact O-N 2.86Å; A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.3Å; A203-A207 PolarHBondContact O-N 3.04Å; A203-A243 HydrophobicContact CB-CB 3.93Å; A203-F244 HydrophobicContact CB-CE2 3.61Å; A203-F244 HydrophobicContact CB-CZ 3.85Å
204	I	98.4	Very high	93.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-43.6	176.4	-69.6	157.4	0	0	0	110.3	I107 D111 L112 V115 A159 F199 N200 S208	I107-I204 HydrophobicContact CD1-CG2 3.9Å; I107-I204 HydrophobicContact CG1-CG2 3.95Å; D111-I204 HydrophobicContact CB-CG2 4.06Å; L112-I204 HydrophobicContact CD2-CD1 3.57Å; V115-I204 HydrophobicContact CB-CG1 4.04Å; V115-I204 HydrophobicContact CG2-CG1 4Å; A159-I204 HydrophobicContact CB-CD1 4.28Å; F199-I204 HydrophobicContact CB-CD1 3.77Å; N200-I204 WeakPolarHBondContact O-CB 3.47Å; N200-I204 WeakPolarHBondContact O-CD1 3.48Å; N200-I204 VanDerWaalsContact O-CG1 3.28Å; N200-I204 WeakPolarHBondContact O-CG1 3.24Å; N200-I204 PolarHBondContact O-N 2.97Å; I204-S208 WeakPolarHBondContact O-CB 3.41Å; I204-S208 PolarHBondContact O-N 2.82Å
205	T	97.5	Very high	91.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-48.3	178.3	-62.4	0	0	0	0	111.3	V162 K163 T166 N201 I202 A203 L209 L320	V162-T205 HydrophobicContact CG1-CG2 4.29Å; V162-T205 WeakPolarHBondContact CG1-OG1 3.33Å; K163-T205 WeakPolarHBondContact CA-OG1 3.48Å; K163-T205 PolarHBondContact N-OG1 3.29Å; T166-T205 HydrophobicContact CG2-CG2 3.98Å; N201-T205 WeakPolarHBondContact O-CB 3.42Å; N201-T205 PolarHBondContact O-N 3.3Å; N201-T205 PolarHBondContact O-OG1 2.83Å; I202-T205 PolarHBondContact O-N 3.01Å; A203-T205 VanDerWaalsContact C-N 3.28Å; A203-T205 PolarHBondContact O-N 3.39Å; T205-L209 HydrophobicContact CG2-CD1 3.88Å; T205-L209 WeakPolarHBondContact O-CB 3.39Å; T205-L209 VanDerWaalsContact O-CG 3.24Å; T205-L209 WeakPolarHBondContact O-CG 3.28Å; T205-L209 PolarHBondContact O-N 2.93Å; T205-L320 HydrophobicContact CG2-CD1 4.43Å
206	A	96.9	Very high	89.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-49.2	178.4	0	0	0	0	0	111.9	I202 A203 S208 L209 L210 I227 I229 F244 L320	I202-A206 PolarHBondContact O-N 3.26Å; A203-A206 PolarHBondContact O-N 2.86Å; A206-S208 PolarHBondContact O-N 3.23Å; A206-L209 PolarHBondContact O-N 3.45Å; A206-L210 WeakPolarHBondContact O-CG 3.43Å; A206-L210 PolarHBondContact O-N 2.97Å; A206-I227 HydrophobicContact CB-CD1 4.01Å; A206-I227 HydrophobicContact CB-CG2 4.37Å; A206-I229 HydrophobicContact CB-CD1 4.37Å; A206-F244 HydrophobicContact CB-CE1 4.46Å; A206-F244 HydrophobicContact CB-CE2 4.34Å; A206-F244 HydrophobicContact CB-CZ 3.77Å; A206-L320 HydrophobicContact CB-CD1 3.91Å
207	A	96.9	Very high	87.4	Confident	17 Å²	17	36 Å²	36	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-45.7	179.7	0	0	0	0	0	112.1	L114 V115 A203 L209 L210 Q211	L114-A207 HydrophobicContact CB-CB 3.93Å; L114-A207 HydrophobicContact CD1-CB 4.37Å; V115-A207 HydrophobicContact CG2-CB 3.92Å; A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.3Å; A203-A207 PolarHBondContact O-N 3.04Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.24Å; A207-L210 PolarHBondContact O-N 3.19Å; A207-Q211 PolarHBondContact O-N 3.3Å
208	S	95.2	Very high	85.3	Confident	12 Å²	12	39.4 Å²	39.4	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-43.5	177.2	-177.5	0	0	0	0	112	D111 L114 K163 I204 A206 Q211 S212	D111-S208 VanDerWaalsContact OD1-CB 3.28Å; D111-S208 WeakPolarHBondContact OD1-CB 3.43Å; D111-S208 PolarHBondContact OD1-OG 3.45Å; L114-S208 VanDerWaalsContact CD1-CA 3.49Å; K163-S208 WeakPolarHBondContact CE-OG 3.24Å; I204-S208 WeakPolarHBondContact O-CB 3.41Å; I204-S208 PolarHBondContact O-N 2.82Å; A206-S208 PolarHBondContact O-N 3.23Å; S208-Q211 PolarHBondContact O-N 2.94Å; S208-S212 WeakPolarHBondContact O-CB 3.5Å; S208-S212 PolarHBondContact O-N 3.3Å
209	L	93.3	Very high	83.2	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-36.3	179.1	-73.1	174.2	0	0	0	113.2	T166 E167 V170 T205 A206 A207 Q211 S212 L224 I227 L318	T166-L209 HydrophobicContact CG2-CD1 3.4Å; T166-L209 VanDerWaalsContact CG2-CD1 3.4Å; E167-L209 HydrophobicContact CG-CD2 4.1Å; V170-L209 HydrophobicContact CG1-CD1 4.49Å; V170-L209 HydrophobicContact CG2-CD2 4.22Å; T205-L209 HydrophobicContact CG2-CD1 3.88Å; T205-L209 WeakPolarHBondContact O-CB 3.39Å; T205-L209 VanDerWaalsContact O-CG 3.24Å; T205-L209 WeakPolarHBondContact O-CG 3.28Å; T205-L209 PolarHBondContact O-N 2.93Å; A206-L209 PolarHBondContact O-N 3.45Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.24Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; L209-S212 WeakPolarHBondContact O-CB 3.24Å; L209-S212 PolarHBondContact O-N 3.45Å; L209-L224 HydrophobicContact CB-CD1 3.81Å; L209-L224 HydrophobicContact CD1-CD1 4.18Å; L209-L224 HydrophobicContact CD2-CD1 4.49Å; L209-L224 HydrophobicContact CG-CD1 4.39Å; L209-I227 HydrophobicContact CB-CD1 4.4Å; L209-L318 HydrophobicContact CD1-CD2 3.69Å
210	L	93.4	Very high	81.1	Confident	19 Å²	19	50.3 Å²	50.3	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-69.3	-29.4	175.2	-72.3	172.5	0	0	0	112.9	A206 A207 L224 I227 R249 V250	A206-L210 WeakPolarHBondContact O-CG 3.43Å; A206-L210 PolarHBondContact O-N 2.97Å; A207-L210 PolarHBondContact O-N 3.19Å; L210-L224 HydrophobicContact CD2-CB 4.33Å; L210-I227 HydrophobicContact CD1-CD1 4.29Å; L210-I227 HydrophobicContact CD2-CD1 3.98Å; L210-I227 HydrophobicContact CD2-CG1 4.21Å; L210-I227 HydrophobicContact CG-CD1 3.76Å; L210-I227 HydrophobicContact CG-CG1 4.47Å; L210-R249 HydrophobicContact CD1-CB 4.09Å; L210-R249 HydrophobicContact CD2-CB 4.03Å; L210-V250 HydrophobicContact CD1-CG2 3.51Å
211	Q	90.2	Very high	79	Confident	132 Å²	132	53.7 Å²	53.7	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-82.7	-24.4	175	-162.3	-176.8	16.1	0	0	112.6	A207 S208 L209 K213	A207-Q211 PolarHBondContact O-N 3.3Å; S208-Q211 PolarHBondContact O-N 2.94Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; Q211-K213 PolarHBondContact O-N 3.05Å
212	S	83	Confident	77.3	Confident	34 Å²	34	58 Å²	58	24%	0.238	30%	0.3	C	S	.	.			trans	-61.7	132.4	-178.8	179.7	0	0	0	0	112.1	S208 L209 K214	S208-S212 WeakPolarHBondContact O-CB 3.5Å; S208-S212 PolarHBondContact O-N 3.3Å; L209-S212 WeakPolarHBondContact O-CB 3.24Å; L209-S212 PolarHBondContact O-N 3.45Å; S212-K214 VanDerWaalsContact C-N 3.27Å; S212-K214 WeakPolarHBondContact OG-CB 3.42Å; S212-K214 WeakPolarHBondContact OG-CG 3.04Å; S212-K214 PolarHBondContact OG-N 3.29Å; S212-K214 VanDerWaalsContact OG-N 3.17Å
213	K	69	Low	76.2	Confident	206 Å²	206	63.3 Å²	63.3	90%	0.896	32%	0.32	S	S	*	.			trans	-85.8	6.5	171.1	-62.1	-174.7	179.9	-179.7	0	113.2	Q211 S215	Q211-K213 PolarHBondContact O-N 3.05Å; K213-S215 PolarHBondContact O-N 3.43Å
214	K	63	Low	75.6	Confident	123 Å²	123	63.8 Å²	63.8	54%	0.535	32%	0.322	S	S	.	.			trans	-67.7	121.5	-178.4	-70.4	179.4	-176.1	172.4	0	109.4	E167 S212	E167-K214 IonicContact OE1-NZ 3.5Å; E167-K214 PolarHBondContact OE1-NZ 3.29Å; S212-K214 VanDerWaalsContact C-N 3.27Å; S212-K214 WeakPolarHBondContact OG-CB 3.42Å; S212-K214 WeakPolarHBondContact OG-CG 3.04Å; S212-K214 PolarHBondContact OG-N 3.29Å; S212-K214 VanDerWaalsContact OG-N 3.17Å
215	S	54	Low	75.2	Confident	66 Å²	66	67.3 Å²	67.3	46%	0.462	34%	0.339	S	S	.	.			trans	-64.1	130.2	176.5	-169.8	0	0	0	0	111.5	K213 T222	K213-S215 PolarHBondContact O-N 3.43Å; S215-T222 VanDerWaalsContact CA-O 3.28Å; S215-T222 WeakPolarHBondContact CA-O 3.49Å
216	I	58.7	Low	75.1	Confident	18 Å²	18	70 Å²	70	9%	0.092	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-99.1	104.4	176.1	-69.8	168.7	0	0	0	108.3	V170 K218 F221 L224	V170-I216 HydrophobicContact CB-CD1 4.04Å; V170-I216 HydrophobicContact CB-CG1 4.35Å; V170-I216 WeakPolarHBondContact O-CG2 3.24Å; I216-K218 VanDerWaalsContact C-N 3.28Å; I216-K218 PolarHBondContact O-N 3.39Å; I216-F221 CarbonylContact C-O 3.6Å; I216-F221 PolarHBondContact N-O 2.99Å; I216-L224 HydrophobicContact CD1-CB 4.36Å; I216-L224 HydrophobicContact CD1-CD1 3.74Å; I216-L224 HydrophobicContact CD1-CD2 3.8Å; I216-L224 HydrophobicContact CD1-CG 3.31Å
217	T	55.3	Low	75	Confident	109 Å²	109	70 Å²	70	67%	0.669	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-77.1	-14	-171.6	51.2	0	0	0	0	113.6	H219	T217-H219 PolarHBondContact O-N 2.95Å
218	K	56.1	Low	75.1	Confident	72 Å²	72	69.1 Å²	69.1	31%	0.313	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-69.9	-28.6	-172.3	-164	179.8	177.6	-174.4	0	113.9	N172 I216	N172-K218 HydrophobicContact CB-CB 4.47Å; N172-K218 HydrophobicContact CB-CD 4.36Å; N172-K218 WeakPolarHBondContact OD1-CD 3.45Å; N172-K218 WeakPolarHBondContact OD1-CE 3.4Å; I216-K218 VanDerWaalsContact C-N 3.28Å; I216-K218 PolarHBondContact O-N 3.39Å
219	H	54.4	Low	75.2	Confident	65 Å²	65	68.6 Å²	68.6	30%	0.301	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-133.6	26.1	-169.4	-59.9	-70.2	0	0	0	114	T217 F221 D359	T217-H219 PolarHBondContact O-N 2.95Å; H219-F221 HydrophobicContact CB-CD2 3.44Å; H219-F221 VanDerWaalsContact CB-CD2 3.44Å; H219-F221 HydrophobicContact CB-CE2 3.64Å; H219-F221 WeakPolarHBondContact O-CD2 3.11Å; H219-F221 WeakPolarHBondContact O-CE2 3.39Å; H219-F221 PolarHBondContact O-N 3.19Å; H219-F221 VanDerWaalsContact O-N 3.1Å; H219-D359 IonicContact CE1-OD1 3.49Å
220	N	53.3	Low	75.5	Confident	165 Å²	165	68.7 Å²	68.7	88%	0.882	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	17.3	-176	-61.4	-39.6	0	0	0	114.8
221	F	56	Low	75.7	Confident	71 Å²	71	67.8 Å²	67.8	31%	0.311	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-99.4	125	178	-61.1	-65.7	0	0	0	110.7	I216 H219 Y223 Q317	I216-F221 CarbonylContact C-O 3.6Å; I216-F221 PolarHBondContact N-O 2.99Å; H219-F221 HydrophobicContact CB-CD2 3.44Å; H219-F221 VanDerWaalsContact CB-CD2 3.44Å; H219-F221 HydrophobicContact CB-CE2 3.64Å; H219-F221 WeakPolarHBondContact O-CD2 3.11Å; H219-F221 WeakPolarHBondContact O-CE2 3.39Å; H219-F221 PolarHBondContact O-N 3.19Å; H219-F221 VanDerWaalsContact O-N 3.1Å; F221-Y223 PolarHBondContact O-N 3.42Å; F221-Q317 HydrophobicContact CD2-CG 3.99Å; F221-Q317 HydrophobicContact CE2-CG 3.91Å
222	T	62	Low	75.9	Confident	93 Å²	93	64.5 Å²	64.5	57%	0.571	32%	0.316	S	S	*	.	S	Bend	trans	-70.7	-12.6	176.7	-43	0	0	0	0	112.5	S215	S215-T222 VanDerWaalsContact CA-O 3.28Å; S215-T222 WeakPolarHBondContact CA-O 3.49Å
223	Y	75.2	Confident	76.4	Confident	118 Å²	118	63.7 Å²	63.7	46%	0.463	31%	0.309	S	S	.	.	S	Bend	trans	-163.1	156.9	-177.9	46.3	-82.4	0	0	0	111.3	F221 Q225	F221-Y223 PolarHBondContact O-N 3.42Å; Y223-Q225 HydrophobicContact CD2-CG 3.39Å; Y223-Q225 HydrophobicContact CE2-CG 3.35Å
224	L	86.5	Confident	77.6	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.047	27%	0.268	C	S	.	.			trans	-71.6	137.4	169	-78.6	162.3	0	0	0	110.2	V170 L209 L210 I216 I227 Q317 L318	V170-L224 HydrophobicContact CG1-CD1 4.01Å; L209-L224 HydrophobicContact CB-CD1 3.81Å; L209-L224 HydrophobicContact CD1-CD1 4.18Å; L209-L224 HydrophobicContact CD2-CD1 4.49Å; L209-L224 HydrophobicContact CG-CD1 4.39Å; L210-L224 HydrophobicContact CD2-CB 4.33Å; I216-L224 HydrophobicContact CD1-CB 4.36Å; I216-L224 HydrophobicContact CD1-CD1 3.74Å; I216-L224 HydrophobicContact CD1-CD2 3.8Å; I216-L224 HydrophobicContact CD1-CG 3.31Å; L224-I227 HydrophobicContact CD1-CD1 4.42Å; L224-Q317 HydrophobicContact CD2-CB 3.5Å; L224-L318 HydrophobicContact CD1-CD2 4.04Å; L224-L318 HydrophobicContact CD2-CB 3.99Å
225	Q	90	Very high	79.2	Confident	75 Å²	75	49.3 Å²	49.3	35%	0.35	25%	0.247	S	C	.	.			trans	-134.7	-19.2	177.5	-63	-172.1	-63.4	0	0	112.8	Y223 R249	Y223-Q225 HydrophobicContact CD2-CG 3.39Å; Y223-Q225 HydrophobicContact CE2-CG 3.35Å; Q225-R249 VanDerWaalsContact O-CA 3.23Å; Q225-R249 WeakPolarHBondContact O-CA 3.48Å; Q225-R249 WeakPolarHBondContact O-CB 3.21Å
226	R	93.8	Very high	81.3	Confident	55 Å²	55	46.2 Å²	46.2	21%	0.208	23%	0.226	C	C	.	.			trans	-137.1	105.5	-176.7	-64.7	-172	-52.8	-71	-5.5	110.3	R249 F314 N315 Q317	R226-R249 CarbonylContact C-O 3.59Å; R226-R249 VanDerWaalsContact CA-O 3.31Å; R226-R249 WeakPolarHBondContact CA-O 3.25Å; R226-F314 HydrophobicContact CB-CE1 3.9Å; R226-F314 HydrophobicContact CB-CE2 4.18Å; R226-F314 HydrophobicContact CB-CZ 3.63Å; R226-F314 VanDerWaalsContact CD-O 3.29Å; R226-F314 WeakPolarHBondContact CD-O 3.31Å; R226-F314 HydrophobicContact CG-CE2 4.08Å; R226-F314 HydrophobicContact CG-CZ 4.02Å; R226-F314 PolarHBondContact NE-O 3.41Å; R226-N315 PolarHBondContact NE-O 3.48Å; R226-N315 PolarHBondContact NH2-O 2.9Å; R226-Q317 PolarHBondContact O-N 3.36Å
227	I	96.3	Very high	83.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.8	176.3	-57.7	-179.2	0	0	0	107.9	A206 L209 L210 L224 I229 R249 V250 L251 L318 L320	A206-I227 HydrophobicContact CB-CD1 4.01Å; A206-I227 HydrophobicContact CB-CG2 4.37Å; L209-I227 HydrophobicContact CB-CD1 4.4Å; L210-I227 HydrophobicContact CD1-CD1 4.29Å; L210-I227 HydrophobicContact CD2-CD1 3.98Å; L210-I227 HydrophobicContact CD2-CG1 4.21Å; L210-I227 HydrophobicContact CG-CD1 3.76Å; L210-I227 HydrophobicContact CG-CG1 4.47Å; L224-I227 HydrophobicContact CD1-CD1 4.42Å; I227-I229 HydrophobicContact CG2-CG1 4.33Å; I227-R249 PolarHBondContact N-O 3.38Å; I227-V250 HydrophobicContact CB-CG2 4.5Å; I227-V250 VanDerWaalsContact O-CA 3.29Å; I227-V250 WeakPolarHBondContact O-CA 3.48Å; I227-L251 PolarHBondContact O-N 3.06Å; I227-L318 WeakPolarHBondContact CA-O 3.39Å; I227-L318 HydrophobicContact CD1-CD2 4.28Å; I227-L318 HydrophobicContact CG1-CB 4.39Å; I227-L318 HydrophobicContact CG1-CD2 4.41Å; I227-L318 HydrophobicContact CG2-CD2 4.39Å; I227-L318 HydrophobicContact CG2-CG 4.47Å; I227-L320 HydrophobicContact CG2-CD1 3.89Å; I227-L320 HydrophobicContact CG2-CG 3.97Å
228	L	98.2	Very high	85.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.8	169.4	167.3	61.1	0	0	0	108.3	I230 L251 I253 A311 F314 P316 L318 I319 L320	L228-I230 HydrophobicContact CD1-CG1 4.05Å; L228-I230 HydrophobicContact CD2-CD1 4.02Å; L228-I230 HydrophobicContact CD2-CG1 4.05Å; L228-I230 HydrophobicContact CG-CD1 4.4Å; L228-I230 HydrophobicContact CG-CG1 3.9Å; L228-L251 HydrophobicContact CD1-CB 4.17Å; L228-L251 HydrophobicContact CD1-CD2 3.82Å; L228-L251 HydrophobicContact CD1-CG 3.76Å; L228-I253 HydrophobicContact CD1-CD1 3.92Å; L228-I253 HydrophobicContact CD1-CG1 3.95Å; L228-A311 HydrophobicContact CD2-CB 3.55Å; L228-F314 HydrophobicContact CB-CD1 4.29Å; L228-F314 HydrophobicContact CB-CE1 4.26Å; L228-P316 HydrophobicContact CB-CB 3.6Å; L228-P316 HydrophobicContact CB-CG 3.9Å; L228-P316 HydrophobicContact CD2-CG 4.12Å; L228-L318 PolarHBondContact N-O 2.98Å; L228-I319 HydrophobicContact CB-CG1 4.14Å; L228-I319 HydrophobicContact CD2-CD1 4.48Å; L228-I319 HydrophobicContact CD2-CG1 4.12Å; L228-I319 HydrophobicContact CG-CG1 4.43Å; L228-I319 HydrophobicContact CG-CG2 4.48Å; L228-I319 CarbonylContact O-C 3.5Å; L228-I319 VanDerWaalsContact O-CA 3.29Å; L228-I319 WeakPolarHBondContact O-CA 3.47Å; L228-L320 PolarHBondContact O-N 3.32Å
229	I	98.5	Very high	87.2	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119	169	-58.5	169.8	0	0	0	107.7	I202 A206 I227 T240 F244 V250 L251 Y252 I253 L320	I202-I229 HydrophobicContact CG2-CB 4.49Å; I202-I229 HydrophobicContact CG2-CD1 3.8Å; I202-I229 HydrophobicContact CG2-CG1 3.97Å; I202-I229 HydrophobicContact CG2-CG2 3.71Å; A206-I229 HydrophobicContact CB-CD1 4.37Å; I227-I229 HydrophobicContact CG2-CG1 4.33Å; I229-T240 HydrophobicContact CD1-CG2 3.89Å; I229-T240 HydrophobicContact CG2-CG2 4.22Å; I229-F244 HydrophobicContact CD1-CD2 4.03Å; I229-F244 HydrophobicContact CD1-CE2 3.73Å; I229-V250 HydrophobicContact CD1-CG1 3.47Å; I229-V250 VanDerWaalsContact CD1-CG1 3.47Å; I229-V250 HydrophobicContact CG1-CG1 3.96Å; I229-L251 PolarHBondContact N-O 3.42Å; I229-Y252 HydrophobicContact CB-CD2 3.97Å; I229-Y252 HydrophobicContact CG2-CD2 3.72Å; I229-Y252 HydrophobicContact CG2-CE2 4.02Å; I229-I253 PolarHBondContact O-N 2.87Å; I229-L320 VanDerWaalsContact CA-O 3.32Å; I229-L320 WeakPolarHBondContact CA-O 3.47Å; I229-L320 HydrophobicContact CG1-CB 4.23Å; I229-L320 HydrophobicContact CG1-CD1 4.38Å
230	I	98.1	Very high	89.4	Confident	12 Å²	12	34 Å²	34	6%	0.062	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.6	170.6	-58.2	175.6	0	0	0	107.9	L228 I253 I307 I319 L320 I321 S322	L228-I230 HydrophobicContact CD1-CG1 4.05Å; L228-I230 HydrophobicContact CD2-CD1 4.02Å; L228-I230 HydrophobicContact CD2-CG1 4.05Å; L228-I230 HydrophobicContact CG-CD1 4.4Å; L228-I230 HydrophobicContact CG-CG1 3.9Å; I230-I253 CarbonylContact C-O 3.57Å; I230-I253 WeakPolarHBondContact CA-O 3.5Å; I230-I307 HydrophobicContact CD1-CG2 3.97Å; I230-I319 HydrophobicContact CD1-CG2 4.29Å; I230-L320 PolarHBondContact N-O 3.47Å; I230-I321 HydrophobicContact CB-CG1 4.44Å; I230-I321 HydrophobicContact CB-CG2 4.44Å; I230-I321 CarbonylContact O-C 3.53Å; I230-I321 WeakPolarHBondContact O-CA 3.48Å; I230-I321 WeakPolarHBondContact O-CG2 3.28Å; I230-S322 PolarHBondContact O-N 2.66Å
231	D	97.8	Very high	91.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111	176.1	-162.4	-15.5	0	0	0	109.1	H186 D233 Y252 I253 S254 I255 S322	H186-D231 IonicContact CE1-OD1 3.65Å; H186-D231 IonicContact CE1-OD2 3.4Å; H186-D231 IonicContact CG-OD2 2.89Å; H186-D231 IonicContact ND1-OD1 3.74Å; H186-D231 PolarHBondContact ND1-OD1 3.2Å; H186-D231 IonicContact ND1-OD2 3.87Å; H186-D231 PolarHBondContact ND1-OD2 3.36Å; D231-D233 WeakPolarHBondContact OD1-CB 3.47Å; D231-D233 PolarHBondContact OD1-N 3.49Å; D231-Y252 HydrophobicContact CB-CE2 3.61Å; D231-Y252 WeakPolarHBondContact CB-OH 3.41Å; D231-Y252 PolarHBondContact OD2-OH 3Å; D231-I253 PolarHBondContact N-O 3.27Å; D231-S254 CarbonylContact O-C 3.6Å; D231-S254 VanDerWaalsContact O-CA 3.28Å; D231-S254 WeakPolarHBondContact O-CA 3.46Å; D231-I255 PolarHBondContact O-N 2.69Å; D231-S322 VanDerWaalsContact OD1-CB 3.26Å; D231-S322 WeakPolarHBondContact OD1-CB 3.41Å
232	W	94.9	Very high	93.6	Very high	64 Å²	64	26.5 Å²	26.5	24%	0.242	12%	0.12	C	C	.	.			trans	-115.8	8.5	179.9	68.5	35	0	0	0	112.6	F303 I321 S322 C323 G324	W232-F303 AromaticContact CE3-CZ 3.94Å; W232-F303 HydrophobicContact CE3-CZ 3.94Å; W232-F303 HydrophobicContact CZ3-CZ 4.21Å; W232-I321 HydrophobicContact CD2-CG2 3.93Å; W232-I321 HydrophobicContact CE3-CG2 4.08Å; W232-I321 HydrophobicContact CG-CG2 4.49Å; W232-I321 HydrophobicContact CH2-CD1 4.26Å; W232-I321 HydrophobicContact CH2-CG2 4.35Å; W232-I321 HydrophobicContact CZ2-CG2 4.22Å; W232-I321 HydrophobicContact CZ3-CD1 4.23Å; W232-I321 HydrophobicContact CZ3-CG2 4.29Å; W232-S322 PolarHBondContact N-O 2.78Å; W232-C323 HydrophobicContact CZ2-CB 4.26Å; W232-C323 WeakPolarHBondContact CZ2-SG 3.23Å; W232-C323 PolarHBondContact NE1-SG 3.23Å; W232-G324 PolarHBondContact NE1-O 3.39Å; W232-G324 VanDerWaalsContact NE1-O 3.12Å
233	D	94	Very high	95.3	Very high	17 Å²	17	23.8 Å²	23.8	9%	0.091	11%	0.107	C	C	.	.	S	Bend	trans	-54.8	144.3	163.9	-170	-72.5	0	0	0	108.8	H186 D231 H235 G324 D326	H186-D233 VanDerWaalsContact CE1-CB 3.42Å; H186-D233 WeakPolarHBondContact CE1-CB 3.44Å; H186-D233 IonicContact CE1-OD1 3.5Å; H186-D233 PolarHBondContact CE1-OD1 3.49Å; H186-D233 IonicContact CE1-OD2 2.68Å; H186-D233 IonicContact NE2-OD1 2.65Å; H186-D233 IonicContact NE2-OD2 3.2Å; D231-D233 WeakPolarHBondContact OD1-CB 3.47Å; D231-D233 PolarHBondContact OD1-N 3.49Å; D233-H235 PolarHBondContact O-N 2.79Å; D233-H235 VanDerWaalsContact O-N 3.14Å; D233-H235 WeakPolarHBondContact OD1-CB 3.12Å; D233-H235 IonicContact OD1-CG 3.77Å; D233-H235 PolarHBondContact OD1-N 2.96Å; D233-H235 IonicContact OD1-ND1 2.9Å; D233-H235 PolarHBondContact OD1-ND1 3.37Å; D233-G324 VanDerWaalsContact OD2-CA 3.24Å; D233-G324 WeakPolarHBondContact OD2-CA 3.44Å; D233-D326 VanDerWaalsContact OD1-OD2 3.14Å
234	V	93.8	Very high	96.4	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.03	9%	0.088	C	C	.	.	S	Bend	trans	-65.3	-18.8	-176.4	79	0	0	0	0	112	H256 R257 F263 D326 A327 E333 V334	V234-H256 CarbonylContact O-C 3.48Å; V234-H256 VanDerWaalsContact O-CA 3.3Å; V234-H256 WeakPolarHBondContact O-CA 3.49Å; V234-H256 WeakPolarHBondContact O-CB 3.47Å; V234-R257 HydrophobicContact CG2-CB 3.78Å; V234-R257 PolarHBondContact O-N 3.24Å; V234-F263 HydrophobicContact CG1-CE1 4.32Å; V234-F263 HydrophobicContact CG1-CZ 4.47Å; V234-D326 HydrophobicContact CB-CB 4.48Å; V234-D326 HydrophobicContact CG1-CB 3.81Å; V234-D326 PolarHBondContact N-OD1 3.49Å; V234-A327 HydrophobicContact CB-CB 4.16Å; V234-A327 HydrophobicContact CG2-CB 4.44Å; V234-E333 HydrophobicContact CG1-CB 4.48Å; V234-V334 HydrophobicContact CG2-CG2 4.15Å
235	H	95.4	Very high	97	Very high	21 Å²	21	20.5 Å²	20.5	10%	0.097	9%	0.094	C	C	.	.	S	Bend	trans	-95.3	146.9	176.5	-48.2	91.6	0	0	0	111.4	H186 H187 D233 G237 F263 W264 D326	H186-H235 PolarHBondContact CE1-O 3.07Å; H187-H235 VanDerWaalsContact CE1-CB 3.47Å; H187-H235 WeakPolarHBondContact CE1-CB 3.26Å; D233-H235 PolarHBondContact O-N 2.79Å; D233-H235 VanDerWaalsContact O-N 3.14Å; D233-H235 WeakPolarHBondContact OD1-CB 3.12Å; D233-H235 IonicContact OD1-CG 3.77Å; D233-H235 PolarHBondContact OD1-N 2.96Å; D233-H235 IonicContact OD1-ND1 2.9Å; D233-H235 PolarHBondContact OD1-ND1 3.37Å; H235-G237 PolarHBondContact O-N 2.97Å; H235-F263 AromaticContact CD2-CE1 3.36Å; H235-F263 WeakPolarHBondContact CD2-CE1 3.43Å; H235-F263 AromaticContact CD2-CZ 3.8Å; H235-F263 AromaticContact NE2-CE1 3.67Å; H235-F263 AromaticContact NE2-CZ 3.6Å; H235-W264 HydrophobicContact CB-CE3 4.37Å; H235-W264 HydrophobicContact CB-CZ3 4.14Å; H235-W264 AromaticContact CD2-CE3 3.69Å; H235-D326 IonicContact CE1-OD2 3.76Å; H235-D326 PolarHBondContact CE1-OD2 2.83Å; H235-D326 IonicContact ND1-OD2 3.33Å; H235-D326 PolarHBondContact ND1-OD2 2.87Å; H235-D326 VanDerWaalsContact ND1-OD2 3.11Å
236	H	98.3	Very high	97.4	Very high	2 Å²	2	21 Å²	21	1%	0.009	10%	0.099	C	C	.	.			trans	-67.9	126.9	173.1	178.7	-120.9	0	0	0	110.5	H187 Q238 Q241 H256 P265 A270 N286	H187-H236 PolarHBondContact CE1-O 3.41Å; H187-H236 PolarHBondContact ND1-O 3.35Å; H187-H236 VanDerWaalsContact ND1-O 3.08Å; H236-Q238 VanDerWaalsContact C-N 3.26Å; H236-Q238 PolarHBondContact O-N 3.05Å; H236-Q238 PolarHBondContact O-OE1 3.36Å; H236-Q241 PolarHBondContact CE1-OE1 2.83Å; H236-Q241 VanDerWaalsContact CE1-OE1 3.24Å; H236-Q241 PolarHBondContact NE2-OE1 2.94Å; H236-H256 HydrophobicContact CB-CB 4.15Å; H236-H256 AromaticContact CD2-CE1 3.38Å; H236-H256 PolarHBondContact CD2-CE1 2.84Å; H236-H256 AromaticContact CD2-ND1 3.5Å; H236-H256 PolarHBondContact CD2-ND1 3.4Å; H236-P265 HydrophobicContact CB-CG 4.48Å; H236-A270 HydrophobicContact CB-CB 3.88Å; H236-A270 WeakPolarHBondContact ND1-CB 3.09Å; H236-N286 PolarHBondContact CD2-OD1 2.94Å; H236-N286 PolarHBondContact NE2-OD1 3.22Å
237	G	98.4	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.			trans	-81.7	64.4	175.6	0	0	0	0	0	112.6	H186 H235 G239 T240 Q241 Y252	H186-G237 WeakPolarHBondContact ND1-CA 3.5Å; H186-G237 CarbonylContact O-C 3.47Å; H186-G237 VanDerWaalsContact O-C 3.27Å; H186-G237 WeakPolarHBondContact O-CA 3.29Å; H235-G237 PolarHBondContact O-N 2.97Å; G237-G239 PolarHBondContact O-N 2.9Å; G237-G239 VanDerWaalsContact O-N 3.15Å; G237-T240 WeakPolarHBondContact O-CA 3.34Å; G237-T240 WeakPolarHBondContact O-CB 3.28Å; G237-T240 PolarHBondContact O-N 3.17Å; G237-Q241 PolarHBondContact O-N 3.04Å; G237-Q241 VanDerWaalsContact O-N 3.07Å; G237-Y252 WeakPolarHBondContact CA-OH 3.25Å; G237-Y252 PolarHBondContact N-OH 2.91Å; G237-Y252 VanDerWaalsContact N-OH 3.15Å; G237-Y252 PolarHBondContact O-OH 3.38Å
238	Q	98.6	Very high	97.7	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-53.4	-35.8	-177.1	79.8	-75.2	19.5	0	0	113.5	H187 C194 H236 T240 Q241 Y242 L267	H187-Q238 PolarHBondContact ND1-OE1 2.65Å; C194-Q238 PolarHBondContact SG-NE2 2.85Å; C194-Q238 VanDerWaalsContact SG-NE2 3.37Å; H236-Q238 VanDerWaalsContact C-N 3.26Å; H236-Q238 PolarHBondContact O-N 3.05Å; H236-Q238 PolarHBondContact O-OE1 3.36Å; Q238-T240 PolarHBondContact O-N 3.07Å; Q238-Q241 PolarHBondContact O-N 3.36Å; Q238-Y242 HydrophobicContact CB-CE1 4.28Å; Q238-Y242 HydrophobicContact CB-CE2 4.13Å; Q238-Y242 HydrophobicContact CG-CE2 3.94Å; Q238-Y242 WeakPolarHBondContact O-CD1 3.4Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.43Å; Q238-Y242 PolarHBondContact O-N 3.02Å; Q238-L267 HydrophobicContact CB-CD1 3.71Å; Q238-L267 HydrophobicContact CG-CD1 3.77Å
239	G	98.7	Very high	97.6	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-35.7	176.1	0	0	0	0	0	112.3	H186 A188 N200 G237 A243	H186-G239 WeakPolarHBondContact O-CA 3.26Å; H186-G239 PolarHBondContact O-N 3.05Å; H186-G239 VanDerWaalsContact O-N 3.1Å; A188-G239 WeakPolarHBondContact O-CA 3.28Å; N200-G239 VanDerWaalsContact ND2-C 3.34Å; G237-G239 PolarHBondContact O-N 2.9Å; G237-G239 VanDerWaalsContact O-N 3.15Å; G239-A243 WeakPolarHBondContact O-CB 3.24Å; G239-A243 PolarHBondContact O-N 2.94Å
240	T	98.8	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-74.9	-41.8	176.4	-46.3	0	0	0	0	111.3	H186 N200 I229 G237 Q238 Y242 A243 F244 Y252	H186-T240 WeakPolarHBondContact CA-OG1 3.15Å; H186-T240 PolarHBondContact O-N 3.17Å; H186-T240 VanDerWaalsContact O-N 3.13Å; H186-T240 PolarHBondContact O-OG1 3.06Å; N200-T240 WeakPolarHBondContact ND2-CA 3.49Å; N200-T240 PolarHBondContact ND2-N 2.9Å; N200-T240 VanDerWaalsContact ND2-N 3.2Å; N200-T240 PolarHBondContact ND2-OG1 3.37Å; I229-T240 HydrophobicContact CD1-CG2 3.89Å; I229-T240 HydrophobicContact CG2-CG2 4.22Å; G237-T240 WeakPolarHBondContact O-CA 3.34Å; G237-T240 WeakPolarHBondContact O-CB 3.28Å; G237-T240 PolarHBondContact O-N 3.17Å; Q238-T240 PolarHBondContact O-N 3.07Å; T240-Y242 VanDerWaalsContact C-N 3.34Å; T240-Y242 PolarHBondContact O-N 3.35Å; T240-A243 PolarHBondContact O-N 2.88Å; T240-F244 HydrophobicContact CG2-CD2 4.31Å; T240-F244 HydrophobicContact CG2-CE2 4.32Å; T240-F244 WeakPolarHBondContact O-CD2 3.43Å; T240-Y252 HydrophobicContact CG2-CD2 3.61Å; T240-Y252 HydrophobicContact CG2-CE2 3.6Å; T240-Y252 HydrophobicContact CG2-CG 4.42Å
241	Q	98.8	Very high	97.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-55.1	-49.7	172.5	170.4	166.1	-60.9	0	0	111	H236 G237 Q238 A243 F244 Y245 Y252 E269 N284 N286	H236-Q241 PolarHBondContact CE1-OE1 2.83Å; H236-Q241 VanDerWaalsContact CE1-OE1 3.24Å; H236-Q241 PolarHBondContact NE2-OE1 2.94Å; G237-Q241 PolarHBondContact O-N 3.04Å; G237-Q241 VanDerWaalsContact O-N 3.07Å; Q238-Q241 PolarHBondContact O-N 3.36Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; Q241-A243 PolarHBondContact O-N 2.98Å; Q241-F244 PolarHBondContact O-N 3.13Å; Q241-Y245 HydrophobicContact CG-CD2 3.62Å; Q241-Y245 HydrophobicContact CG-CE2 3.92Å; Q241-Y245 WeakPolarHBondContact O-CA 3.3Å; Q241-Y245 WeakPolarHBondContact O-CB 3.19Å; Q241-Y245 PolarHBondContact O-N 3.26Å; Q241-Y252 HydrophobicContact CB-CD1 4.07Å; Q241-Y252 HydrophobicContact CB-CE1 3.95Å; Q241-E269 PolarHBondContact NE2-O 3.21Å; Q241-N284 VanDerWaalsContact CG-OD1 3.31Å; Q241-N284 WeakPolarHBondContact CG-OD1 3.26Å; Q241-N284 PolarHBondContact OE1-ND2 2.63Å; Q241-N284 PolarHBondContact OE1-OD1 3.02Å; Q241-N286 PolarHBondContact OE1-ND2 3.45Å; Q241-N286 PolarHBondContact OE1-OD1 3.13Å; Q241-N286 VanDerWaalsContact OE1-OD1 3.12Å
242	Y	98.7	Very high	97.7	Very high	78 Å²	78	27 Å²	27	31%	0.306	13%	0.127	S	C	.	.	H	α-helix	trans	-66.2	-34.8	-178.3	-58.3	-17.3	0	0	0	112.9	M189 Q238 T240 F244 L267 E269	M189-Y242 HydrophobicContact CG-CD2 4.05Å; M189-Y242 HydrophobicContact CG-CE2 4.24Å; M189-Y242 HydrophobicContact SD-CD2 3.99Å; M189-Y242 HydrophobicContact SD-CE2 3.67Å; Q238-Y242 HydrophobicContact CB-CE1 4.28Å; Q238-Y242 HydrophobicContact CB-CE2 4.13Å; Q238-Y242 HydrophobicContact CG-CE2 3.94Å; Q238-Y242 WeakPolarHBondContact O-CD1 3.4Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.43Å; Q238-Y242 PolarHBondContact O-N 3.02Å; T240-Y242 VanDerWaalsContact C-N 3.34Å; T240-Y242 PolarHBondContact O-N 3.35Å; Y242-F244 PolarHBondContact O-N 3Å; Y242-L267 WeakPolarHBondContact OH-CD1 3.38Å; Y242-E269 HydrophobicContact CE1-CG 4.01Å; Y242-E269 WeakPolarHBondContact CE1-OE1 3.26Å; Y242-E269 PolarHBondContact OH-OE1 2.97Å
243	A	98.6	Very high	97.9	Very high	37 Å²	37	24 Å²	24	31%	0.306	12%	0.116	S	C	.	.	H	α-helix	trans	-63.7	-24.3	-178.6	0	0	0	0	0	113.5	V115 A203 G239 T240 Q241	V115-A243 HydrophobicContact CG1-CB 4.24Å; A203-A243 HydrophobicContact CB-CB 3.93Å; G239-A243 WeakPolarHBondContact O-CB 3.24Å; G239-A243 PolarHBondContact O-N 2.94Å; T240-A243 PolarHBondContact O-N 2.88Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; Q241-A243 PolarHBondContact O-N 2.98Å
244	F	98.6	Very high	98.1	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.057	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	15.3	-173.8	-55.9	-64.7	0	0	0	114	A203 A206 I229 T240 Q241 Y242 D246 D247 V250	A203-F244 HydrophobicContact CB-CE2 3.61Å; A203-F244 HydrophobicContact CB-CZ 3.85Å; A206-F244 HydrophobicContact CB-CE1 4.46Å; A206-F244 HydrophobicContact CB-CE2 4.34Å; A206-F244 HydrophobicContact CB-CZ 3.77Å; I229-F244 HydrophobicContact CD1-CD2 4.03Å; I229-F244 HydrophobicContact CD1-CE2 3.73Å; T240-F244 HydrophobicContact CG2-CD2 4.31Å; T240-F244 HydrophobicContact CG2-CE2 4.32Å; T240-F244 WeakPolarHBondContact O-CD2 3.43Å; Q241-F244 PolarHBondContact O-N 3.13Å; Y242-F244 PolarHBondContact O-N 3Å; F244-D246 PolarHBondContact O-N 3.36Å; F244-D247 HydrophobicContact CB-CB 4.45Å; F244-D247 PolarHBondContact O-N 3.28Å; F244-V250 HydrophobicContact CB-CB 3.92Å; F244-V250 HydrophobicContact CB-CG1 4.09Å; F244-V250 HydrophobicContact CD1-CB 3.89Å; F244-V250 HydrophobicContact CD1-CG1 4.23Å; F244-V250 HydrophobicContact CD1-CG2 3.57Å; F244-V250 HydrophobicContact CD2-CB 4.27Å; F244-V250 HydrophobicContact CD2-CG1 3.73Å; F244-V250 HydrophobicContact CD2-CG2 4.49Å; F244-V250 HydrophobicContact CE1-CG2 3.81Å; F244-V250 HydrophobicContact CE2-CG1 4.21Å; F244-V250 HydrophobicContact CG-CB 3.75Å; F244-V250 HydrophobicContact CG-CG1 3.74Å; F244-V250 HydrophobicContact CG-CG2 3.95Å; F244-V250 HydrophobicContact CZ-CG2 4.36Å
245	Y	98.7	Very high	98.3	Very high	44 Å²	44	22.9 Å²	22.9	17%	0.173	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.4	-170.6	-156	-115.6	0	0	0	113.7	Q241 F274 G276 E277 N284	Q241-Y245 HydrophobicContact CG-CD2 3.62Å; Q241-Y245 HydrophobicContact CG-CE2 3.92Å; Q241-Y245 WeakPolarHBondContact O-CA 3.3Å; Q241-Y245 WeakPolarHBondContact O-CB 3.19Å; Q241-Y245 PolarHBondContact O-N 3.26Å; Y245-F274 WeakPolarHBondContact OH-CA 3.36Å; Y245-F274 WeakPolarHBondContact OH-CB 3.41Å; Y245-F274 VanDerWaalsContact OH-CD1 3.31Å; Y245-F274 WeakPolarHBondContact OH-CD1 3.39Å; Y245-G276 CarbonylContact O-C 3.53Å; Y245-G276 VanDerWaalsContact O-CA 3.24Å; Y245-G276 WeakPolarHBondContact O-CA 3.2Å; Y245-G276 PolarHBondContact OH-N 3.42Å; Y245-E277 HydrophobicContact CD1-CB 4.16Å; Y245-E277 HydrophobicContact CD1-CG 3.67Å; Y245-E277 HydrophobicContact CE1-CB 4.13Å; Y245-E277 HydrophobicContact CE1-CG 4.14Å; Y245-E277 PolarHBondContact O-N 2.68Å; Y245-N284 HydrophobicContact CD2-CB 4.36Å; Y245-N284 HydrophobicContact CE2-CB 4.25Å
246	D	98.6	Very high	98.4	Very high	86 Å²	86	22 Å²	22	46%	0.46	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	8.5	178.5	70.3	-20.8	0	0	0	114.3	F244 E277 N278 G280	F244-D246 PolarHBondContact O-N 3.36Å; D246-E277 WeakPolarHBondContact CA-O 3.46Å; D246-E277 HydrophobicContact CB-CG 3.95Å; D246-N278 HydrophobicContact CB-CB 4.29Å; D246-G280 PolarHBondContact O-N 3.48Å; D246-G280 VanDerWaalsContact O-N 3.08Å
247	D	98.2	Very high	98.3	Very high	22 Å²	22	23.8 Å²	23.8	12%	0.118	11%	0.113	C	C	.	.			trans	-112.5	108.2	-173	-168	-11.7	0	0	0	113.1	F244 R249 V250	F244-D247 HydrophobicContact CB-CB 4.45Å; F244-D247 PolarHBondContact O-N 3.28Å; D247-R249 PolarHBondContact O-N 2.95Å; D247-R249 WeakPolarHBondContact OD1-CB 3.33Å; D247-R249 VanDerWaalsContact OD1-CG 3.32Å; D247-R249 WeakPolarHBondContact OD1-CG 3.31Å; D247-R249 IonicContact OD1-CZ 3.86Å; D247-R249 PolarHBondContact OD1-N 3.15Å; D247-R249 IonicContact OD1-NE 3.18Å; D247-R249 PolarHBondContact OD1-NE 3.16Å; D247-R249 IonicContact OD1-NH2 3.91Å; D247-R249 IonicContact OD2-CZ 3.41Å; D247-R249 IonicContact OD2-NE 2.68Å; D247-R249 PolarHBondContact OD2-NE 3.31Å; D247-R249 IonicContact OD2-NH2 3.02Å; D247-R249 PolarHBondContact OD2-NH2 3.49Å; D247-V250 PolarHBondContact O-N 2.9Å; D247-V250 VanDerWaalsContact O-O 3.1Å
248	N	98	Very high	98.2	Very high	60 Å²	60	24.2 Å²	24.2	32%	0.321	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.3	178.5	67.3	-5.3	0	0	0	115.4	L279 Y283	N248-L279 WeakPolarHBondContact CB-O 3.17Å; N248-Y283 HydrophobicContact CB-CD1 4.2Å; N248-Y283 HydrophobicContact CB-CD2 3.67Å; N248-Y283 HydrophobicContact CB-CE1 4.02Å; N248-Y283 HydrophobicContact CB-CE2 3.45Å; N248-Y283 VanDerWaalsContact CB-CE2 3.45Å; N248-Y283 HydrophobicContact CB-CG 4.04Å; N248-Y283 WeakPolarHBondContact O-CD1 3.5Å; N248-Y283 VanDerWaalsContact O-CE1 3.25Å; N248-Y283 WeakPolarHBondContact O-CE1 3.25Å
249	R	97.1	Very high	98.1	Very high	106 Å²	106	26.4 Å²	26.4	40%	0.4	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.3	175	-59.1	173.4	-63	167.7	2.5	111.5	L210 Q225 R226 I227 D247	L210-R249 HydrophobicContact CD1-CB 4.09Å; L210-R249 HydrophobicContact CD2-CB 4.03Å; Q225-R249 VanDerWaalsContact O-CA 3.23Å; Q225-R249 WeakPolarHBondContact O-CA 3.48Å; Q225-R249 WeakPolarHBondContact O-CB 3.21Å; R226-R249 CarbonylContact C-O 3.59Å; R226-R249 VanDerWaalsContact CA-O 3.31Å; R226-R249 WeakPolarHBondContact CA-O 3.25Å; I227-R249 PolarHBondContact N-O 3.38Å; D247-R249 PolarHBondContact O-N 2.95Å; D247-R249 WeakPolarHBondContact OD1-CB 3.33Å; D247-R249 VanDerWaalsContact OD1-CG 3.32Å; D247-R249 WeakPolarHBondContact OD1-CG 3.31Å; D247-R249 IonicContact OD1-CZ 3.86Å; D247-R249 PolarHBondContact OD1-N 3.15Å; D247-R249 IonicContact OD1-NE 3.18Å; D247-R249 PolarHBondContact OD1-NE 3.16Å; D247-R249 IonicContact OD1-NH2 3.91Å; D247-R249 IonicContact OD2-CZ 3.41Å; D247-R249 IonicContact OD2-NE 2.68Å; D247-R249 PolarHBondContact OD2-NE 3.31Å; D247-R249 IonicContact OD2-NH2 3.02Å; D247-R249 PolarHBondContact OD2-NH2 3.49Å
250	V	98.4	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.7	178.1	-175.8	0	0	0	0	109.5	L210 I227 I229 F244 D247	L210-V250 HydrophobicContact CD1-CG2 3.51Å; I227-V250 HydrophobicContact CB-CG2 4.5Å; I227-V250 VanDerWaalsContact O-CA 3.29Å; I227-V250 WeakPolarHBondContact O-CA 3.48Å; I229-V250 HydrophobicContact CD1-CG1 3.47Å; I229-V250 VanDerWaalsContact CD1-CG1 3.47Å; I229-V250 HydrophobicContact CG1-CG1 3.96Å; F244-V250 HydrophobicContact CB-CB 3.92Å; F244-V250 HydrophobicContact CB-CG1 4.09Å; F244-V250 HydrophobicContact CD1-CB 3.89Å; F244-V250 HydrophobicContact CD1-CG1 4.23Å; F244-V250 HydrophobicContact CD1-CG2 3.57Å; F244-V250 HydrophobicContact CD2-CB 4.27Å; F244-V250 HydrophobicContact CD2-CG1 3.73Å; F244-V250 HydrophobicContact CD2-CG2 4.49Å; F244-V250 HydrophobicContact CE1-CG2 3.81Å; F244-V250 HydrophobicContact CE2-CG1 4.21Å; F244-V250 HydrophobicContact CG-CB 3.75Å; F244-V250 HydrophobicContact CG-CG1 3.74Å; F244-V250 HydrophobicContact CG-CG2 3.95Å; F244-V250 HydrophobicContact CZ-CG2 4.36Å; D247-V250 PolarHBondContact O-N 2.9Å; D247-V250 VanDerWaalsContact O-O 3.1Å
251	L	98.8	Very high	97.9	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.9	168.3	171.1	60.5	0	0	0	108.1	I227 L228 I229 I253 Y283 V285 I310 F314	I227-L251 PolarHBondContact O-N 3.06Å; L228-L251 HydrophobicContact CD1-CB 4.17Å; L228-L251 HydrophobicContact CD1-CD2 3.82Å; L228-L251 HydrophobicContact CD1-CG 3.76Å; I229-L251 PolarHBondContact N-O 3.42Å; L251-I253 HydrophobicContact CD1-CG1 4.14Å; L251-I253 HydrophobicContact CD2-CD1 4.18Å; L251-I253 HydrophobicContact CD2-CG1 4.44Å; L251-I253 HydrophobicContact CG-CD1 4.31Å; L251-I253 HydrophobicContact CG-CG1 4.02Å; L251-Y283 WeakPolarHBondContact CA-O 3.45Å; L251-Y283 HydrophobicContact CB-CD1 4.41Å; L251-Y283 WeakPolarHBondContact CD1-O 3.17Å; L251-V285 HydrophobicContact CD1-CG2 4.07Å; L251-I310 HydrophobicContact CD1-CG2 4.34Å; L251-I310 HydrophobicContact CD2-CG2 3.67Å; L251-F314 HydrophobicContact CB-CD1 3.77Å; L251-F314 HydrophobicContact CB-CD2 4.21Å; L251-F314 HydrophobicContact CB-CE1 3.61Å; L251-F314 HydrophobicContact CB-CE2 4.08Å; L251-F314 HydrophobicContact CB-CG 4.05Å; L251-F314 HydrophobicContact CB-CZ 3.77Å; L251-F314 HydrophobicContact CD2-CB 3.67Å; L251-F314 HydrophobicContact CD2-CD1 3.73Å; L251-F314 HydrophobicContact CD2-CD2 4.33Å; L251-F314 HydrophobicContact CD2-CE1 4.44Å; L251-F314 HydrophobicContact CD2-CG 3.65Å; L251-F314 HydrophobicContact CG-CD1 4.42Å
252	Y	98.9	Very high	97.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.8	173.7	-179.6	-114	0	0	0	110.1	I229 D231 G237 T240 Q241 S254 Y283 N284 V285	I229-Y252 HydrophobicContact CB-CD2 3.97Å; I229-Y252 HydrophobicContact CG2-CD2 3.72Å; I229-Y252 HydrophobicContact CG2-CE2 4.02Å; D231-Y252 HydrophobicContact CB-CE2 3.61Å; D231-Y252 WeakPolarHBondContact CB-OH 3.41Å; D231-Y252 PolarHBondContact OD2-OH 3Å; G237-Y252 WeakPolarHBondContact CA-OH 3.25Å; G237-Y252 PolarHBondContact N-OH 2.91Å; G237-Y252 VanDerWaalsContact N-OH 3.15Å; G237-Y252 PolarHBondContact O-OH 3.38Å; T240-Y252 HydrophobicContact CG2-CD2 3.61Å; T240-Y252 HydrophobicContact CG2-CE2 3.6Å; T240-Y252 HydrophobicContact CG2-CG 4.42Å; Q241-Y252 HydrophobicContact CB-CD1 4.07Å; Q241-Y252 HydrophobicContact CB-CE1 3.95Å; Y252-S254 WeakPolarHBondContact OH-CB 3.44Å; Y252-Y283 PolarHBondContact N-O 3.01Å; Y252-N284 WeakPolarHBondContact CD1-OD1 3.48Å; Y252-N284 CarbonylContact O-C 3.27Å; Y252-V285 PolarHBondContact O-N 3.11Å
253	I	98.8	Very high	97.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.6	174.1	-51.4	-173.7	0	0	0	108.5	L228 I229 I230 D231 L251 V285 I287 I307 I310	L228-I253 HydrophobicContact CD1-CD1 3.92Å; L228-I253 HydrophobicContact CD1-CG1 3.95Å; I229-I253 PolarHBondContact O-N 2.87Å; I230-I253 CarbonylContact C-O 3.57Å; I230-I253 WeakPolarHBondContact CA-O 3.5Å; D231-I253 PolarHBondContact N-O 3.27Å; L251-I253 HydrophobicContact CD1-CG1 4.14Å; L251-I253 HydrophobicContact CD2-CD1 4.18Å; L251-I253 HydrophobicContact CD2-CG1 4.44Å; L251-I253 HydrophobicContact CG-CD1 4.31Å; L251-I253 HydrophobicContact CG-CG1 4.02Å; I253-V285 CarbonylContact C-O 3.56Å; I253-V285 VanDerWaalsContact CA-O 3.32Å; I253-V285 WeakPolarHBondContact CA-O 3.48Å; I253-V285 HydrophobicContact CB-CB 4.4Å; I253-V285 HydrophobicContact CG1-CB 4.06Å; I253-V285 HydrophobicContact CG1-CG2 4.34Å; I253-V285 HydrophobicContact CG2-CB 4.19Å; I253-V285 HydrophobicContact CG2-CG1 4.28Å; I253-I287 HydrophobicContact CG2-CD1 3.86Å; I253-I307 HydrophobicContact CD1-CG2 4.26Å; I253-I307 HydrophobicContact CG2-CD1 4.16Å; I253-I307 HydrophobicContact CG2-CG1 4.08Å; I253-I310 HydrophobicContact CD1-CB 4.41Å; I253-I310 HydrophobicContact CD1-CG2 4.14Å
254	S	98.7	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129	178.3	-178.9	0	0	0	0	112.1	D231 Y252 H256 V285 I287	D231-S254 CarbonylContact O-C 3.6Å; D231-S254 VanDerWaalsContact O-CA 3.28Å; D231-S254 WeakPolarHBondContact O-CA 3.46Å; Y252-S254 WeakPolarHBondContact OH-CB 3.44Å; S254-H256 PolarHBondContact O-ND1 3.19Å; S254-H256 PolarHBondContact OG-ND1 3.47Å; S254-V285 PolarHBondContact N-O 3.15Å; S254-I287 WeakPolarHBondContact O-CB 3.46Å; S254-I287 PolarHBondContact O-N 3Å
255	I	97.9	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124	165.8	-48.3	171.7	0	0	0	107.1	D231 I287 L289 Y299 I302 F303 I307	D231-I255 PolarHBondContact O-N 2.69Å; I255-I287 HydrophobicContact CG1-CB 4.38Å; I255-I287 HydrophobicContact CG1-CD1 4.15Å; I255-I287 HydrophobicContact CG2-CG2 4.47Å; I255-L289 HydrophobicContact CG2-CD1 3.9Å; I255-L289 HydrophobicContact CG2-CD2 4.13Å; I255-L289 HydrophobicContact CG2-CG 4.07Å; I255-Y299 HydrophobicContact CD1-CD1 4.07Å; I255-Y299 HydrophobicContact CD1-CE1 4.15Å; I255-Y299 HydrophobicContact CG2-CE1 4.12Å; I255-I302 HydrophobicContact CD1-CB 4.5Å; I255-I302 HydrophobicContact CD1-CG2 3.62Å; I255-I302 HydrophobicContact CG1-CG2 3.96Å; I255-I302 HydrophobicContact CG2-CD1 4.11Å; I255-F303 HydrophobicContact CD1-CD2 4.39Å; I255-F303 HydrophobicContact CD1-CE2 3.93Å; I255-I307 HydrophobicContact CD1-CD1 3.79Å; I255-I307 HydrophobicContact CG1-CD1 4.1Å
256	H	96.5	Very high	97.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150.1	-176.4	46	-95.2	0	0	0	112.3	V234 H236 S254 Y258 A270 I287 L289	V234-H256 CarbonylContact O-C 3.48Å; V234-H256 VanDerWaalsContact O-CA 3.3Å; V234-H256 WeakPolarHBondContact O-CA 3.49Å; V234-H256 WeakPolarHBondContact O-CB 3.47Å; H236-H256 HydrophobicContact CB-CB 4.15Å; H236-H256 AromaticContact CD2-CE1 3.38Å; H236-H256 PolarHBondContact CD2-CE1 2.84Å; H236-H256 AromaticContact CD2-ND1 3.5Å; H236-H256 PolarHBondContact CD2-ND1 3.4Å; S254-H256 PolarHBondContact O-ND1 3.19Å; S254-H256 PolarHBondContact OG-ND1 3.47Å; H256-Y258 PolarHBondContact O-N 3.07Å; H256-A270 PolarHBondContact CE1-O 2.84Å; H256-A270 PolarHBondContact NE2-O 3.16Å; H256-I287 PolarHBondContact N-O 3.25Å; H256-L289 WeakPolarHBondContact O-CB 3.48Å; H256-L289 WeakPolarHBondContact O-CG 3.48Å; H256-L289 PolarHBondContact O-N 3.46Å
257	R	95.8	Very high	97.2	Very high	41 Å²	41	41.1 Å²	41.1	16%	0.155	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	130	169.7	-179.8	179.6	171.1	-173.2	-0.3	109.1	V234 E259 F263 E333	V234-R257 HydrophobicContact CG2-CB 3.78Å; V234-R257 PolarHBondContact O-N 3.24Å; R257-E259 HydrophobicContact CG-CG 4.35Å; R257-E259 IonicContact CZ-OE2 3.88Å; R257-E259 IonicContact NE-OE2 2.78Å; R257-E259 PolarHBondContact NE-OE2 3.37Å; R257-E259 IonicContact NH2-OE1 2.65Å; R257-E259 IonicContact NH2-OE2 3.51Å; R257-E259 PolarHBondContact NH2-OE2 3.44Å; R257-F263 HydrophobicContact CB-CD1 3.55Å; R257-F263 HydrophobicContact CB-CE1 3.81Å; R257-F263 HydrophobicContact CB-CG 4.04Å; R257-F263 VanDerWaalsContact CD-CD2 3.44Å; R257-F263 HydrophobicContact CG-CB 3.88Å; R257-F263 HydrophobicContact CG-CD1 3.63Å; R257-F263 HydrophobicContact CG-CD2 4.02Å; R257-F263 HydrophobicContact CG-CE1 4.11Å; R257-F263 HydrophobicContact CG-CE2 4.5Å; R257-F263 HydrophobicContact CG-CG 3.55Å; R257-F263 VanDerWaalsContact NH1-CE2 3.3Å; R257-F263 VanDerWaalsContact O-CD1 3.31Å; R257-F263 WeakPolarHBondContact O-CD1 3.38Å; R257-E333 PolarHBondContact NH1-O 2.77Å
258	Y	96.7	Very high	97.2	Very high	8 Å²	8	45.8 Å²	45.8	3%	0.031	21%	0.206	C	C	.	.			trans	-127.5	-50.6	-172.9	-174.6	-121.8	0	0	0	112.7	H256 K260 A261 K262 F263 L267 A270 N271 P288 L289 E290	H256-Y258 PolarHBondContact O-N 3.07Å; Y258-K260 VanDerWaalsContact C-N 3.27Å; Y258-K260 PolarHBondContact O-N 2.89Å; Y258-A261 VanDerWaalsContact CE2-CA 3.49Å; Y258-A261 HydrophobicContact CE2-CB 3.65Å; Y258-A261 VanDerWaalsContact CZ-N 3.3Å; Y258-A261 WeakPolarHBondContact O-CA 3.28Å; Y258-A261 PolarHBondContact O-N 2.85Å; Y258-K262 PolarHBondContact O-N 3.27Å; Y258-K262 VanDerWaalsContact O-N 3.1Å; Y258-F263 PolarHBondContact O-N 2.93Å; Y258-L267 VanDerWaalsContact CE2-O 3.27Å; Y258-L267 WeakPolarHBondContact CE2-O 3.3Å; Y258-A270 HydrophobicContact CD2-CB 4.1Å; Y258-A270 HydrophobicContact CE2-CB 3.95Å; Y258-N271 HydrophobicContact CE1-CB 3.99Å; Y258-N271 WeakPolarHBondContact OH-CB 3.46Å; Y258-P288 VanDerWaalsContact CB-CB 3.43Å; Y258-P288 HydrophobicContact CD1-CB 3.56Å; Y258-P288 HydrophobicContact CD1-CG 4.43Å; Y258-P288 HydrophobicContact CD2-CB 4.39Å; Y258-P288 HydrophobicContact CE1-CB 4.41Å; Y258-P288 HydrophobicContact CG-CB 3.54Å; Y258-L289 PolarHBondContact N-O 2.99Å; Y258-E290 WeakPolarHBondContact CD1-OE1 3.28Å
259	E	96.1	Very high	97.2	Very high	50 Å²	50	45.8 Å²	45.8	23%	0.234	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	48.8	-179.2	-63.4	178	106.5	0	0	113.1	R257 K262 L289 E290	R257-E259 HydrophobicContact CG-CG 4.35Å; R257-E259 IonicContact CZ-OE2 3.88Å; R257-E259 IonicContact NE-OE2 2.78Å; R257-E259 PolarHBondContact NE-OE2 3.37Å; R257-E259 IonicContact NH2-OE1 2.65Å; R257-E259 IonicContact NH2-OE2 3.51Å; R257-E259 PolarHBondContact NH2-OE2 3.44Å; E259-K262 HydrophobicContact CB-CB 4.26Å; E259-K262 WeakPolarHBondContact O-CB 3.46Å; E259-K262 WeakPolarHBondContact O-CD 3.49Å; E259-K262 WeakPolarHBondContact O-CG 3.36Å; E259-K262 PolarHBondContact O-N 3.45Å; E259-L289 PolarHBondContact N-O 2.94Å; E259-L289 VanDerWaalsContact N-O 3.17Å; E259-E290 WeakPolarHBondContact CA-OE2 3.15Å
260	K	96.3	Very high	97.3	Very high	158 Å²	158	40.9 Å²	40.9	69%	0.687	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	49.5	-176.5	-52.8	177.2	-177.8	174.2	0	112.7	Y258 K262 E290	Y258-K260 VanDerWaalsContact C-N 3.27Å; Y258-K260 PolarHBondContact O-N 2.89Å; K260-K262 PolarHBondContact O-N 3.09Å; K260-E290 VanDerWaalsContact CG-OE2 3.29Å; K260-E290 WeakPolarHBondContact CG-OE2 3.32Å; K260-E290 PolarHBondContact N-OE2 2.79Å
261	A	96.7	Very high	97.3	Very high	24 Å²	24	41.8 Å²	41.8	20%	0.198	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	23	-175	0	0	0	0	0	114.6	Y258 N266	Y258-A261 VanDerWaalsContact CE2-CA 3.49Å; Y258-A261 HydrophobicContact CE2-CB 3.65Å; Y258-A261 VanDerWaalsContact CZ-N 3.3Å; Y258-A261 WeakPolarHBondContact O-CA 3.28Å; Y258-A261 PolarHBondContact O-N 2.85Å; A261-N266 WeakPolarHBondContact O-CA 3.28Å; A261-N266 WeakPolarHBondContact O-CB 3.37Å; A261-N266 PolarHBondContact O-ND2 3.16Å
262	K	96.5	Very high	97.3	Very high	162 Å²	162	49.1 Å²	49.1	70%	0.704	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-21.7	174.2	-65.7	177.1	-175.6	177.8	0	112.9	Y258 E259 K260 N266	Y258-K262 PolarHBondContact O-N 3.27Å; Y258-K262 VanDerWaalsContact O-N 3.1Å; E259-K262 HydrophobicContact CB-CB 4.26Å; E259-K262 WeakPolarHBondContact O-CB 3.46Å; E259-K262 WeakPolarHBondContact O-CD 3.49Å; E259-K262 WeakPolarHBondContact O-CG 3.36Å; E259-K262 PolarHBondContact O-N 3.45Å; K260-K262 PolarHBondContact O-N 3.09Å; K262-N266 WeakPolarHBondContact CA-ND2 3.48Å; K262-N266 PolarHBondContact O-ND2 3.31Å
263	F	95.6	Very high	97.3	Very high	19 Å²	19	52.4 Å²	52.4	8%	0.083	24%	0.238	C	C	.	.	S	Bend	trans	-88.1	144.1	173.9	-166.5	-110.1	0	0	0	111	V234 H235 R257 Y258 N266 E333	V234-F263 HydrophobicContact CG1-CE1 4.32Å; V234-F263 HydrophobicContact CG1-CZ 4.47Å; H235-F263 AromaticContact CD2-CE1 3.36Å; H235-F263 WeakPolarHBondContact CD2-CE1 3.43Å; H235-F263 AromaticContact CD2-CZ 3.8Å; H235-F263 AromaticContact NE2-CE1 3.67Å; H235-F263 AromaticContact NE2-CZ 3.6Å; R257-F263 HydrophobicContact CB-CD1 3.55Å; R257-F263 HydrophobicContact CB-CE1 3.81Å; R257-F263 HydrophobicContact CB-CG 4.04Å; R257-F263 VanDerWaalsContact CD-CD2 3.44Å; R257-F263 HydrophobicContact CG-CB 3.88Å; R257-F263 HydrophobicContact CG-CD1 3.63Å; R257-F263 HydrophobicContact CG-CD2 4.02Å; R257-F263 HydrophobicContact CG-CE1 4.11Å; R257-F263 HydrophobicContact CG-CE2 4.5Å; R257-F263 HydrophobicContact CG-CG 3.55Å; R257-F263 VanDerWaalsContact NH1-CE2 3.3Å; R257-F263 VanDerWaalsContact O-CD1 3.31Å; R257-F263 WeakPolarHBondContact O-CD1 3.38Å; Y258-F263 PolarHBondContact O-N 2.93Å; F263-N266 WeakPolarHBondContact O-CA 3.39Å; F263-N266 PolarHBondContact O-N 3.46Å; F263-E333 HydrophobicContact CZ-CB 4.47Å
264	W	95.3	Very high	97.3	Very high	61 Å²	61	55 Å²	55	23%	0.231	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	136.4	-179.8	-174.6	93.5	0	0	0	109.8	D143 H187 H235 N266	D143-W264 PolarHBondContact OD2-NE1 2.74Å; H187-W264 HydrophobicContact CB-CH2 4.39Å; H187-W264 AromaticContact CD2-CH2 3.55Å; H187-W264 AromaticContact CD2-CZ3 3.75Å; H187-W264 AromaticContact CE1-CH2 3.71Å; H187-W264 AromaticContact CE1-CZ3 3.36Å; H187-W264 WeakPolarHBondContact CE1-CZ3 3.46Å; H187-W264 AromaticContact CG-CH2 3.68Å; H187-W264 AromaticContact ND1-CH2 3.77Å; H187-W264 AromaticContact ND1-CZ3 3.88Å; H187-W264 AromaticContact NE2-CH2 3.55Å; H187-W264 AromaticContact NE2-CZ3 3.22Å; H187-W264 WeakPolarHBondContact NE2-CZ3 3.37Å; H235-W264 HydrophobicContact CB-CE3 4.37Å; H235-W264 HydrophobicContact CB-CZ3 4.14Å; H235-W264 AromaticContact CD2-CE3 3.69Å; W264-N266 WeakPolarHBondContact CA-OD1 3.38Å
265	P	96.2	Very high	97.3	Very high	20 Å²	20	58.2 Å²	58.2	13%	0.13	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	cis	-86.5	13.8	14.6	35	-37.7	0	0	0	116.3	H236 L267	H236-P265 HydrophobicContact CB-CG 4.48Å; P265-L267 VanDerWaalsContact C-N 3.33Å; P265-L267 HydrophobicContact CB-CD1 4.04Å; P265-L267 HydrophobicContact CB-CG 4.07Å; P265-L267 HydrophobicContact CG-CD1 3.77Å; P265-L267 HydrophobicContact CG-CG 3.99Å; P265-L267 WeakPolarHBondContact O-CG 3.46Å; P265-L267 PolarHBondContact O-N 2.64Å
266	N	97.1	Very high	97.3	Very high	83 Å²	83	58.7 Å²	58.7	44%	0.444	27%	0.27	S	S	.	.			trans	63.1	30.8	173.9	-60.2	97.5	0	0	0	115.3	A261 K262 F263 W264	A261-N266 WeakPolarHBondContact O-CA 3.28Å; A261-N266 WeakPolarHBondContact O-CB 3.37Å; A261-N266 PolarHBondContact O-ND2 3.16Å; K262-N266 WeakPolarHBondContact CA-ND2 3.48Å; K262-N266 PolarHBondContact O-ND2 3.31Å; F263-N266 WeakPolarHBondContact O-CA 3.39Å; F263-N266 PolarHBondContact O-N 3.46Å; W264-N266 WeakPolarHBondContact CA-OD1 3.38Å
267	L	98.1	Very high	97.4	Very high	43 Å²	43	63.2 Å²	63.2	23%	0.225	29%	0.291	C	S	.	.			trans	-98.5	135.4	-171.8	-60	174.6	0	0	0	113	Q238 Y242 Y258 P265 E269 A270	Q238-L267 HydrophobicContact CB-CD1 3.71Å; Q238-L267 HydrophobicContact CG-CD1 3.77Å; Y242-L267 WeakPolarHBondContact OH-CD1 3.38Å; Y258-L267 VanDerWaalsContact CE2-O 3.27Å; Y258-L267 WeakPolarHBondContact CE2-O 3.3Å; P265-L267 VanDerWaalsContact C-N 3.33Å; P265-L267 HydrophobicContact CB-CD1 4.04Å; P265-L267 HydrophobicContact CB-CG 4.07Å; P265-L267 HydrophobicContact CG-CD1 3.77Å; P265-L267 HydrophobicContact CG-CG 3.99Å; P265-L267 WeakPolarHBondContact O-CG 3.46Å; P265-L267 PolarHBondContact O-N 2.64Å; L267-E269 HydrophobicContact CB-CG 4.07Å; L267-E269 HydrophobicContact CD1-CG 4.46Å; L267-E269 PolarHBondContact O-N 3.12Å; L267-A270 HydrophobicContact CB-CB 4.45Å; L267-A270 PolarHBondContact O-N 3.27Å
268	R	98.1	Very high	97.5	Very high	120 Å²	120	67.2 Å²	67.2	45%	0.453	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-61.8	-33.8	172	177.3	58.6	-176.9	87.9	1.6	111.8	A270 N271 D273 F274	R268-A270 PolarHBondContact O-N 3.1Å; R268-N271 WeakPolarHBondContact O-CB 3.24Å; R268-N271 PolarHBondContact O-N 2.89Å; R268-D273 IonicContact CZ-OD1 3.53Å; R268-D273 IonicContact CZ-OD2 3.83Å; R268-D273 IonicContact NH1-OD1 3.45Å; R268-D273 PolarHBondContact NH1-OD1 3.08Å; R268-D273 IonicContact NH1-OD2 3.11Å; R268-D273 VanDerWaalsContact NH2-CG 3.33Å; R268-D273 IonicContact NH2-OD1 3.25Å; R268-D273 PolarHBondContact NH2-OD1 2.67Å; R268-D273 IonicContact NH2-OD2 2.64Å; R268-D273 PolarHBondContact NH2-OD2 3.31Å; R268-F274 HydrophobicContact CG-CE2 4.01Å; R268-F274 HydrophobicContact CG-CZ 4.15Å; R268-F274 VanDerWaalsContact NH1-CE2 3.25Å; R268-F274 WeakPolarHBondContact O-CE2 3.4Å
269	E	98.2	Very high	97.6	Very high	61 Å²	61	73 Å²	73	29%	0.285	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-75.7	-3.7	-178.8	66.2	-141.6	-97.8	0	0	115.5	Q241 Y242 L267 F274 N286	Q241-E269 PolarHBondContact NE2-O 3.21Å; Y242-E269 HydrophobicContact CE1-CG 4.01Å; Y242-E269 WeakPolarHBondContact CE1-OE1 3.26Å; Y242-E269 PolarHBondContact OH-OE1 2.97Å; L267-E269 HydrophobicContact CB-CG 4.07Å; L267-E269 HydrophobicContact CD1-CG 4.46Å; L267-E269 PolarHBondContact O-N 3.12Å; E269-F274 VanDerWaalsContact CA-CG 3.47Å; E269-F274 HydrophobicContact CB-CD1 3.28Å; E269-F274 HydrophobicContact CB-CD2 4.3Å; E269-F274 HydrophobicContact CB-CE1 3.28Å; E269-F274 HydrophobicContact CB-CE2 4.31Å; E269-F274 HydrophobicContact CB-CG 3.81Å; E269-F274 HydrophobicContact CB-CZ 3.82Å; E269-F274 WeakPolarHBondContact O-CB 3.16Å; E269-N286 PolarHBondContact O-ND2 2.99Å
270	A	98.6	Very high	97.7	Very high	3 Å²	3	70.6 Å²	70.6	3%	0.025	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-79.3	-5.3	167.1	0	0	0	0	0	112.5	H236 H256 Y258 L267 R268 N286	H236-A270 HydrophobicContact CB-CB 3.88Å; H236-A270 WeakPolarHBondContact ND1-CB 3.09Å; H256-A270 PolarHBondContact CE1-O 2.84Å; H256-A270 PolarHBondContact NE2-O 3.16Å; Y258-A270 HydrophobicContact CD2-CB 4.1Å; Y258-A270 HydrophobicContact CE2-CB 3.95Å; L267-A270 HydrophobicContact CB-CB 4.45Å; L267-A270 PolarHBondContact O-N 3.27Å; R268-A270 PolarHBondContact O-N 3.1Å; A270-N286 WeakPolarHBondContact O-CB 3.46Å
271	N	98.7	Very high	97.8	Very high	19 Å²	19	69.6 Å²	69.6	10%	0.102	33%	0.331	C	S	.	.	S	Bend	trans	-79.5	166.9	-178.7	-149.8	-13	0	0	0	112.7	Y258 R268 D273 F274 N286 P288	Y258-N271 HydrophobicContact CE1-CB 3.99Å; Y258-N271 WeakPolarHBondContact OH-CB 3.46Å; R268-N271 WeakPolarHBondContact O-CB 3.24Å; R268-N271 PolarHBondContact O-N 2.89Å; N271-D273 WeakPolarHBondContact CB-OD1 3.35Å; N271-D273 PolarHBondContact O-N 2.66Å; N271-D273 VanDerWaalsContact O-N 3.16Å; N271-F274 PolarHBondContact O-N 2.94Å; N271-N286 WeakPolarHBondContact O-CB 3.44Å; N271-N286 PolarHBondContact O-ND2 2.93Å; N271-N286 VanDerWaalsContact O-ND2 3.16Å; N271-P288 WeakPolarHBondContact OD1-CG 3.37Å
272	Y	98.6	Very high	97.9	Very high	156 Å²	156	70.6 Å²	70.6	61%	0.612	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.6	-173.3	63.1	-101.4	0	0	0	115.2	F274 P288	Y272-F274 VanDerWaalsContact C-N 3.34Å; Y272-P288 HydrophobicContact CD1-CG 4.14Å
273	D	98.3	Very high	98	Very high	71 Å²	71	66.5 Å²	66.5	38%	0.38	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.4	-176.5	63.6	-39	0	0	0	113.8	R268 N271 I275	R268-D273 IonicContact CZ-OD1 3.53Å; R268-D273 IonicContact CZ-OD2 3.83Å; R268-D273 IonicContact NH1-OD1 3.45Å; R268-D273 PolarHBondContact NH1-OD1 3.08Å; R268-D273 IonicContact NH1-OD2 3.11Å; R268-D273 VanDerWaalsContact NH2-CG 3.33Å; R268-D273 IonicContact NH2-OD1 3.25Å; R268-D273 PolarHBondContact NH2-OD1 2.67Å; R268-D273 IonicContact NH2-OD2 2.64Å; R268-D273 PolarHBondContact NH2-OD2 3.31Å; N271-D273 WeakPolarHBondContact CB-OD1 3.35Å; N271-D273 PolarHBondContact O-N 2.66Å; N271-D273 VanDerWaalsContact O-N 3.16Å; D273-I275 PolarHBondContact O-N 3.13Å
274	F	98.7	Very high	98.2	Very high	54 Å²	54	65.8 Å²	65.8	24%	0.237	32%	0.321	C	S	.	.			trans	-88.8	87.7	171.9	-79	-104.6	0	0	0	109.7	Y245 R268 E269 N271 Y272 N284	Y245-F274 WeakPolarHBondContact OH-CA 3.36Å; Y245-F274 WeakPolarHBondContact OH-CB 3.41Å; Y245-F274 VanDerWaalsContact OH-CD1 3.31Å; Y245-F274 WeakPolarHBondContact OH-CD1 3.39Å; R268-F274 HydrophobicContact CG-CE2 4.01Å; R268-F274 HydrophobicContact CG-CZ 4.15Å; R268-F274 VanDerWaalsContact NH1-CE2 3.25Å; R268-F274 WeakPolarHBondContact O-CE2 3.4Å; E269-F274 VanDerWaalsContact CA-CG 3.47Å; E269-F274 HydrophobicContact CB-CD1 3.28Å; E269-F274 HydrophobicContact CB-CD2 4.3Å; E269-F274 HydrophobicContact CB-CE1 3.28Å; E269-F274 HydrophobicContact CB-CE2 4.31Å; E269-F274 HydrophobicContact CB-CG 3.81Å; E269-F274 HydrophobicContact CB-CZ 3.82Å; E269-F274 WeakPolarHBondContact O-CB 3.16Å; N271-F274 PolarHBondContact O-N 2.94Å; Y272-F274 VanDerWaalsContact C-N 3.34Å; F274-N284 PolarHBondContact O-ND2 3.25Å
275	I	98.8	Very high	98.4	Very high	69 Å²	69	64.4 Å²	64.4	35%	0.354	32%	0.319	S	S	.	.			trans	-100.1	11.5	-169	63.3	167.2	0	0	0	114.8	D273 K281 G282 N284	D273-I275 PolarHBondContact O-N 3.13Å; I275-K281 HydrophobicContact CD1-CG 3.93Å; I275-K281 HydrophobicContact CG1-CG 4.25Å; I275-G282 WeakPolarHBondContact O-CA 3.41Å; I275-G282 PolarHBondContact O-N 3.43Å; I275-N284 WeakPolarHBondContact CA-O 3.26Å
276	G	98.7	Very high	98.5	Very high	9 Å²	9	63.8 Å²	63.8	9%	0.093	32%	0.315	C	S	.	.			trans	88.5	171.4	-170.9	0	0	0	0	0	112.3	Y245	Y245-G276 CarbonylContact O-C 3.53Å; Y245-G276 VanDerWaalsContact O-CA 3.24Å; Y245-G276 WeakPolarHBondContact O-CA 3.2Å; Y245-G276 PolarHBondContact OH-N 3.42Å
277	E	98.6	Very high	98.6	Very high	96 Å²	96	60.6 Å²	60.6	45%	0.449	30%	0.298	S	S	.	.			trans	-134	169.6	-175.8	69.4	178.4	-156.6	0	0	112.4	Y245 D246 L279 G280 K281	Y245-E277 HydrophobicContact CD1-CB 4.16Å; Y245-E277 HydrophobicContact CD1-CG 3.67Å; Y245-E277 HydrophobicContact CE1-CB 4.13Å; Y245-E277 HydrophobicContact CE1-CG 4.14Å; Y245-E277 PolarHBondContact O-N 2.68Å; D246-E277 WeakPolarHBondContact CA-O 3.46Å; D246-E277 HydrophobicContact CB-CG 3.95Å; E277-L279 PolarHBondContact O-N 2.79Å; E277-G280 CarbonylContact O-C 3.42Å; E277-G280 VanDerWaalsContact O-CA 3.31Å; E277-G280 WeakPolarHBondContact O-CA 3.45Å; E277-G280 PolarHBondContact O-N 3.07Å; E277-K281 PolarHBondContact O-N 3.15Å; E277-K281 VanDerWaalsContact O-N 3.13Å
278	N	98.4	Very high	98.6	Very high	126 Å²	126	59.6 Å²	59.6	67%	0.674	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	48.8	-122.8	178.6	-57.9	-47.3	0	0	0	112.2	D246	D246-N278 HydrophobicContact CB-CB 4.29Å
279	L	98.1	Very high	98.5	Very high	128 Å²	128	54.7 Å²	54.7	67%	0.67	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-70.3	-33.9	176.6	-65.9	175.5	0	0	0	111.8	N248 E277 K281	N248-L279 WeakPolarHBondContact CB-O 3.17Å; E277-L279 PolarHBondContact O-N 2.79Å; L279-K281 PolarHBondContact O-N 3.41Å
280	G	98.6	Very high	98.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-73.7	0.5	178.4	0	0	0	0	0	115.4	D246 E277 G282 Y283	D246-G280 PolarHBondContact O-N 3.48Å; D246-G280 VanDerWaalsContact O-N 3.08Å; E277-G280 CarbonylContact O-C 3.42Å; E277-G280 VanDerWaalsContact O-CA 3.31Å; E277-G280 WeakPolarHBondContact O-CA 3.45Å; E277-G280 PolarHBondContact O-N 3.07Å; G280-G282 PolarHBondContact O-N 3.21Å; G280-Y283 WeakPolarHBondContact O-CA 3.41Å; G280-Y283 WeakPolarHBondContact O-CB 3.47Å; G280-Y283 PolarHBondContact O-N 3.47Å
281	K	98.7	Very high	98.1	Very high	138 Å²	138	62 Å²	62	60%	0.6	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	122.2	175.8	-171.9	176.1	-177	175.8	0	111.2	I275 E277 L279	I275-K281 HydrophobicContact CD1-CG 3.93Å; I275-K281 HydrophobicContact CG1-CG 4.25Å; E277-K281 PolarHBondContact O-N 3.15Å; E277-K281 VanDerWaalsContact O-N 3.13Å; L279-K281 PolarHBondContact O-N 3.41Å
282	G	98.6	Very high	97.6	Very high	45 Å²	45	63.8 Å²	63.8	46%	0.464	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-5.7	-172.9	0	0	0	0	0	114.3	I275 G280	I275-G282 WeakPolarHBondContact O-CA 3.41Å; I275-G282 PolarHBondContact O-N 3.43Å; G280-G282 PolarHBondContact O-N 3.21Å
283	Y	98.8	Very high	97	Very high	76 Å²	76	57.9 Å²	57.9	30%	0.298	31%	0.308	S	S	.	.	S	Bend	trans	-103.5	8.4	-177.5	-63.8	-95.2	0	0	0	113.4	N248 L251 Y252 G280 F314	N248-Y283 HydrophobicContact CB-CD1 4.2Å; N248-Y283 HydrophobicContact CB-CD2 3.67Å; N248-Y283 HydrophobicContact CB-CE1 4.02Å; N248-Y283 HydrophobicContact CB-CE2 3.45Å; N248-Y283 VanDerWaalsContact CB-CE2 3.45Å; N248-Y283 HydrophobicContact CB-CG 4.04Å; N248-Y283 WeakPolarHBondContact O-CD1 3.5Å; N248-Y283 VanDerWaalsContact O-CE1 3.25Å; N248-Y283 WeakPolarHBondContact O-CE1 3.25Å; L251-Y283 WeakPolarHBondContact CA-O 3.45Å; L251-Y283 HydrophobicContact CB-CD1 4.41Å; L251-Y283 WeakPolarHBondContact CD1-O 3.17Å; Y252-Y283 PolarHBondContact N-O 3.01Å; G280-Y283 WeakPolarHBondContact O-CA 3.41Å; G280-Y283 WeakPolarHBondContact O-CB 3.47Å; G280-Y283 PolarHBondContact O-N 3.47Å; Y283-F314 HydrophobicContact CD1-CD2 4.1Å; Y283-F314 AromaticContact CD1-CE2 3.77Å; Y283-F314 HydrophobicContact CD1-CE2 3.77Å; Y283-F314 AromaticContact CE1-CD2 3.71Å; Y283-F314 HydrophobicContact CE1-CD2 3.71Å; Y283-F314 AromaticContact CE1-CE2 3.52Å; Y283-F314 HydrophobicContact CE1-CE2 3.52Å
284	N	98.9	Very high	96.5	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.6	167.8	-168.1	84.4	0	0	0	109.4	Q241 Y245 Y252 F274 I275 N286	Q241-N284 VanDerWaalsContact CG-OD1 3.31Å; Q241-N284 WeakPolarHBondContact CG-OD1 3.26Å; Q241-N284 PolarHBondContact OE1-ND2 2.63Å; Q241-N284 PolarHBondContact OE1-OD1 3.02Å; Y245-N284 HydrophobicContact CD2-CB 4.36Å; Y245-N284 HydrophobicContact CE2-CB 4.25Å; Y252-N284 WeakPolarHBondContact CD1-OD1 3.48Å; Y252-N284 CarbonylContact O-C 3.27Å; F274-N284 PolarHBondContact O-ND2 3.25Å; I275-N284 WeakPolarHBondContact CA-O 3.26Å; N284-N286 PolarHBondContact ND2-ND2 2.95Å
285	V	98.9	Very high	95.9	Very high	31 Å²	31	56.8 Å²	56.8	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	101.2	-176.6	-175.1	0	0	0	0	109.3	L251 Y252 I253 S254 I287 I310	L251-V285 HydrophobicContact CD1-CG2 4.07Å; Y252-V285 PolarHBondContact O-N 3.11Å; I253-V285 CarbonylContact C-O 3.56Å; I253-V285 VanDerWaalsContact CA-O 3.32Å; I253-V285 WeakPolarHBondContact CA-O 3.48Å; I253-V285 HydrophobicContact CB-CB 4.4Å; I253-V285 HydrophobicContact CG1-CB 4.06Å; I253-V285 HydrophobicContact CG1-CG2 4.34Å; I253-V285 HydrophobicContact CG2-CB 4.19Å; I253-V285 HydrophobicContact CG2-CG1 4.28Å; S254-V285 PolarHBondContact N-O 3.15Å; V285-I287 HydrophobicContact CG1-CG1 4.28Å; V285-I310 HydrophobicContact CG1-CD1 4.15Å; V285-I310 HydrophobicContact CG2-CD1 4.29Å
286	N	98.9	Very high	95.3	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.1	172.7	-70	-29.7	0	0	0	110.6	H236 Q241 E269 A270 N271 N284 P288	H236-N286 PolarHBondContact CD2-OD1 2.94Å; H236-N286 PolarHBondContact NE2-OD1 3.22Å; Q241-N286 PolarHBondContact OE1-ND2 3.45Å; Q241-N286 PolarHBondContact OE1-OD1 3.13Å; Q241-N286 VanDerWaalsContact OE1-OD1 3.12Å; E269-N286 PolarHBondContact O-ND2 2.99Å; A270-N286 WeakPolarHBondContact O-CB 3.46Å; N271-N286 WeakPolarHBondContact O-CB 3.44Å; N271-N286 PolarHBondContact O-ND2 2.93Å; N271-N286 VanDerWaalsContact O-ND2 3.16Å; N284-N286 PolarHBondContact ND2-ND2 2.95Å; N286-P288 VanDerWaalsContact C-CD 3.42Å; N286-P288 VanDerWaalsContact O-CD 3.25Å; N286-P288 WeakPolarHBondContact O-CD 3.41Å
287	I	98.7	Very high	94.9	Very high	17 Å²	17	63.3 Å²	63.3	9%	0.087	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	79.7	176.6	-54.8	168.6	0	0	0	107.4	I253 S254 I255 H256 V285 L289 I302 L306 I307	I253-I287 HydrophobicContact CG2-CD1 3.86Å; S254-I287 WeakPolarHBondContact O-CB 3.46Å; S254-I287 PolarHBondContact O-N 3Å; I255-I287 HydrophobicContact CG1-CB 4.38Å; I255-I287 HydrophobicContact CG1-CD1 4.15Å; I255-I287 HydrophobicContact CG2-CG2 4.47Å; H256-I287 PolarHBondContact N-O 3.25Å; V285-I287 HydrophobicContact CG1-CG1 4.28Å; I287-L289 PolarHBondContact O-N 3.2Å; I287-I302 HydrophobicContact CD1-CG2 3.71Å; I287-I302 HydrophobicContact CG2-CD1 4.12Å; I287-I302 HydrophobicContact CG2-CG1 4.2Å; I287-I302 HydrophobicContact CG2-CG2 4.18Å; I287-L306 HydrophobicContact CD1-CB 4.33Å; I287-L306 HydrophobicContact CD1-CD1 4.01Å; I287-L306 HydrophobicContact CG1-CD1 4.19Å; I287-L306 HydrophobicContact CG2-CD1 4.36Å; I287-I307 HydrophobicContact CD1-CD1 4.37Å; I287-I307 HydrophobicContact CD1-CG1 4.12Å
288	P	98.3	Very high	94.5	Very high	22 Å²	22	61.8 Å²	61.8	14%	0.143	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.2	-177.9	28.9	-34.3	0	0	0	111.1	Y258 N271 Y272 N286	Y258-P288 VanDerWaalsContact CB-CB 3.43Å; Y258-P288 HydrophobicContact CD1-CB 3.56Å; Y258-P288 HydrophobicContact CD1-CG 4.43Å; Y258-P288 HydrophobicContact CD2-CB 4.39Å; Y258-P288 HydrophobicContact CE1-CB 4.41Å; Y258-P288 HydrophobicContact CG-CB 3.54Å; N271-P288 WeakPolarHBondContact OD1-CG 3.37Å; Y272-P288 HydrophobicContact CD1-CG 4.14Å; N286-P288 VanDerWaalsContact C-CD 3.42Å; N286-P288 VanDerWaalsContact O-CD 3.25Å; N286-P288 WeakPolarHBondContact O-CD 3.41Å
289	L	97.1	Very high	94.1	Very high	17 Å²	17	58 Å²	58	9%	0.089	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.3	174.4	-53.9	171.3	0	0	0	108.9	I255 H256 Y258 E259 I287 E291 M294 I302	I255-L289 HydrophobicContact CG2-CD1 3.9Å; I255-L289 HydrophobicContact CG2-CD2 4.13Å; I255-L289 HydrophobicContact CG2-CG 4.07Å; H256-L289 WeakPolarHBondContact O-CB 3.48Å; H256-L289 WeakPolarHBondContact O-CG 3.48Å; H256-L289 PolarHBondContact O-N 3.46Å; Y258-L289 PolarHBondContact N-O 2.99Å; E259-L289 PolarHBondContact N-O 2.94Å; E259-L289 VanDerWaalsContact N-O 3.17Å; I287-L289 PolarHBondContact O-N 3.2Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-M294 HydrophobicContact CB-CG 4.5Å; L289-M294 HydrophobicContact CD1-CG 3.9Å; L289-M294 HydrophobicContact CD2-CG 4.13Å; L289-M294 HydrophobicContact CD2-SD 4.27Å; L289-M294 HydrophobicContact CG-CG 4.4Å; L289-I302 HydrophobicContact CD2-CD1 3.92Å
290	E	95.8	Very high	93.6	Very high	75 Å²	75	56.4 Å²	56.4	35%	0.35	31%	0.309	S	S	.	.			trans	-83.3	-10.1	-175.1	-64.8	-68.6	-171.7	0	0	114	Y258 E259 K260	Y258-E290 WeakPolarHBondContact CD1-OE1 3.28Å; E259-E290 WeakPolarHBondContact CA-OE2 3.15Å; K260-E290 VanDerWaalsContact CG-OE2 3.29Å; K260-E290 WeakPolarHBondContact CG-OE2 3.32Å; K260-E290 PolarHBondContact N-OE2 2.79Å
291	E	91.2	Very high	93.4	Very high	143 Å²	143	58.8 Å²	58.8	67%	0.668	33%	0.329	S	S	*	.	S	Bend	trans	-133.4	156.1	179.1	-62.6	-174	-168.3	0	0	110.4	L289 M294	L289-E291 VanDerWaalsContact C-N 3.33Å; E291-M294 HydrophobicContact CB-CE 3.85Å; E291-M294 WeakPolarHBondContact O-CE 3.31Å
292	T	88.8	Confident	93.2	Very high	56 Å²	56	53.2 Å²	53.2	34%	0.344	31%	0.305	S	S	.	.	S	Bend	trans	-89.1	170.5	171.6	63.1	0	0	0	0	111.3
293	G	85.5	Confident	93	Very high	31 Å²	31	53.3 Å²	53.3	32%	0.32	29%	0.293	S	S	.	.			trans	80.6	21.4	177.1	0	0	0	0	0	114.4
294	M	87.8	Confident	92.8	Very high	48 Å²	48	57.7 Å²	57.7	24%	0.236	31%	0.31	C	S	.	.			trans	-53.1	144.3	168.9	-63.4	-59	134.2	0	0	110.7	L289 E291 D298 Y299	L289-M294 HydrophobicContact CB-CG 4.5Å; L289-M294 HydrophobicContact CD1-CG 3.9Å; L289-M294 HydrophobicContact CD2-CG 4.13Å; L289-M294 HydrophobicContact CD2-SD 4.27Å; L289-M294 HydrophobicContact CG-CG 4.4Å; E291-M294 HydrophobicContact CB-CE 3.85Å; E291-M294 WeakPolarHBondContact O-CE 3.31Å; M294-D298 HydrophobicContact CB-CB 4.31Å; M294-D298 HydrophobicContact SD-CB 3.91Å; M294-Y299 HydrophobicContact CB-CD2 4.29Å; M294-Y299 HydrophobicContact CB-CE2 3.86Å
295	T	87.8	Confident	92.7	Very high	55 Å²	55	67.3 Å²	67.3	34%	0.337	35%	0.346	S	S	.	.			trans	-115.5	171.8	-177.1	69.1	0	0	0	0	110.8	S297 D298 Y299 L338	T295-S297 PolarHBondContact O-N 3.25Å; T295-S297 VanDerWaalsContact O-N 3.11Å; T295-S297 PolarHBondContact OG1-N 3.49Å; T295-D298 WeakPolarHBondContact CB-OD2 3.49Å; T295-D298 PolarHBondContact N-OD2 2.91Å; T295-D298 WeakPolarHBondContact O-CB 3.48Å; T295-D298 PolarHBondContact O-N 3.05Å; T295-D298 PolarHBondContact OG1-OD2 2.96Å; T295-Y299 PolarHBondContact O-N 3.24Å; T295-L338 HydrophobicContact CG2-CD2 4.21Å
296	D	85.6	Confident	92.6	Very high	129 Å²	129	69.3 Å²	69.3	69%	0.69	36%	0.356	S	S	*	.	H	α-helix	trans	-52.1	-33.8	171.4	-60.5	-3	0	0	0	112.1	D298 L300	D296-D298 VanDerWaalsContact C-N 3.34Å; D296-D298 PolarHBondContact O-N 3.22Å; D296-L300 VanDerWaalsContact O-CB 3.29Å; D296-L300 WeakPolarHBondContact O-CB 3.44Å; D296-L300 WeakPolarHBondContact O-CG 3.24Å; D296-L300 PolarHBondContact O-N 3.19Å
297	S	89.2	Confident	92.5	Very high	85 Å²	85	69.1 Å²	69.1	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-67	-36.6	179.1	-63.1	0	0	0	0	112.3	T295 A301	T295-S297 PolarHBondContact O-N 3.25Å; T295-S297 VanDerWaalsContact O-N 3.11Å; T295-S297 PolarHBondContact OG1-N 3.49Å; S297-A301 VanDerWaalsContact O-CB 3.29Å; S297-A301 WeakPolarHBondContact O-CB 3.29Å; S297-A301 PolarHBondContact O-N 2.97Å
298	D	90.3	Very high	92.3	Very high	64 Å²	64	72.1 Å²	72.1	34%	0.342	37%	0.369	S	S	.	.	H	α-helix	trans	-70.1	-45.9	179	-54.8	-64.1	0	0	0	110.4	M294 T295 D296 A301 I302	M294-D298 HydrophobicContact CB-CB 4.31Å; M294-D298 HydrophobicContact SD-CB 3.91Å; T295-D298 WeakPolarHBondContact CB-OD2 3.49Å; T295-D298 PolarHBondContact N-OD2 2.91Å; T295-D298 WeakPolarHBondContact O-CB 3.48Å; T295-D298 PolarHBondContact O-N 3.05Å; T295-D298 PolarHBondContact OG1-OD2 2.96Å; D296-D298 VanDerWaalsContact C-N 3.34Å; D296-D298 PolarHBondContact O-N 3.22Å; D298-A301 PolarHBondContact O-N 3.33Å; D298-I302 WeakPolarHBondContact O-CG1 3.41Å; D298-I302 PolarHBondContact O-N 3.19Å
299	Y	90.2	Very high	92.3	Very high	47 Å²	47	74 Å²	74	18%	0.184	38%	0.382	C	S	.	.	H	α-helix	trans	-62.8	-45.3	175	-84.3	-103.2	0	0	0	111.6	I255 M294 T295 A301 I302 F303 A327	I255-Y299 HydrophobicContact CD1-CD1 4.07Å; I255-Y299 HydrophobicContact CD1-CE1 4.15Å; I255-Y299 HydrophobicContact CG2-CE1 4.12Å; M294-Y299 HydrophobicContact CB-CD2 4.29Å; M294-Y299 HydrophobicContact CB-CE2 3.86Å; T295-Y299 PolarHBondContact O-N 3.24Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.38Å; Y299-I302 WeakPolarHBondContact O-CB 3.31Å; Y299-I302 PolarHBondContact O-N 3.06Å; Y299-F303 WeakPolarHBondContact O-CD2 3.36Å; Y299-F303 PolarHBondContact O-N 3.05Å; Y299-A327 WeakPolarHBondContact OH-CB 3.45Å
300	L	88.6	Confident	92.4	Very high	94 Å²	94	75.7 Å²	75.7	49%	0.492	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-41.5	175.3	-73.6	172.6	0	0	0	111.6	D296 F303 Y304	D296-L300 VanDerWaalsContact O-CB 3.29Å; D296-L300 WeakPolarHBondContact O-CB 3.44Å; D296-L300 WeakPolarHBondContact O-CG 3.24Å; D296-L300 PolarHBondContact O-N 3.19Å; L300-F303 PolarHBondContact O-N 3.4Å; L300-Y304 HydrophobicContact CB-CD2 4.34Å; L300-Y304 HydrophobicContact CB-CE2 4.4Å; L300-Y304 HydrophobicContact CD2-CE2 4.14Å; L300-Y304 WeakPolarHBondContact O-CB 3.34Å; L300-Y304 WeakPolarHBondContact O-CD2 3.4Å; L300-Y304 PolarHBondContact O-N 3.04Å
301	A	94.4	Very high	92.4	Very high	51 Å²	51	72.8 Å²	72.8	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-45	175.9	0	0	0	0	0	111.7	S297 D298 Y299 F303 Y304 R305	S297-A301 VanDerWaalsContact O-CB 3.29Å; S297-A301 WeakPolarHBondContact O-CB 3.29Å; S297-A301 PolarHBondContact O-N 2.97Å; D298-A301 PolarHBondContact O-N 3.33Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.38Å; A301-F303 VanDerWaalsContact C-N 3.34Å; A301-F303 PolarHBondContact O-N 3.32Å; A301-Y304 PolarHBondContact O-N 3.19Å; A301-R305 WeakPolarHBondContact O-CB 3.5Å; A301-R305 VanDerWaalsContact O-CG 3.23Å; A301-R305 WeakPolarHBondContact O-CG 3.21Å; A301-R305 PolarHBondContact O-N 3.18Å
302	I	94.9	Very high	92.7	Very high	20 Å²	20	71 Å²	71	10%	0.103	38%	0.378	C	S	.	.	H	α-helix	trans	-57.4	-47.5	174.5	-72.8	160.8	0	0	0	110.8	I255 I287 L289 D298 Y299 L306 I307	I255-I302 HydrophobicContact CD1-CB 4.5Å; I255-I302 HydrophobicContact CD1-CG2 3.62Å; I255-I302 HydrophobicContact CG1-CG2 3.96Å; I255-I302 HydrophobicContact CG2-CD1 4.11Å; I287-I302 HydrophobicContact CD1-CG2 3.71Å; I287-I302 HydrophobicContact CG2-CD1 4.12Å; I287-I302 HydrophobicContact CG2-CG1 4.2Å; I287-I302 HydrophobicContact CG2-CG2 4.18Å; L289-I302 HydrophobicContact CD2-CD1 3.92Å; D298-I302 WeakPolarHBondContact O-CG1 3.41Å; D298-I302 PolarHBondContact O-N 3.19Å; Y299-I302 WeakPolarHBondContact O-CB 3.31Å; Y299-I302 PolarHBondContact O-N 3.06Å; I302-L306 WeakPolarHBondContact O-CA 3.47Å; I302-L306 WeakPolarHBondContact O-CB 3.24Å; I302-L306 PolarHBondContact O-N 3.01Å; I302-I307 HydrophobicContact CG2-CD1 4Å; I302-I307 HydrophobicContact CG2-CG1 4.08Å; I302-I307 PolarHBondContact O-N 3.5Å
303	F	93.7	Very high	93.1	Very high	48 Å²	48	76.7 Å²	76.7	21%	0.211	40%	0.4	C	S	.	.	I	π-helix	trans	-61.8	-51.1	179.1	-93.9	-97.5	0	0	0	112.2	W232 I255 Y299 L300 A301 R305 I307 M308	W232-F303 AromaticContact CE3-CZ 3.94Å; W232-F303 HydrophobicContact CE3-CZ 3.94Å; W232-F303 HydrophobicContact CZ3-CZ 4.21Å; I255-F303 HydrophobicContact CD1-CD2 4.39Å; I255-F303 HydrophobicContact CD1-CE2 3.93Å; Y299-F303 WeakPolarHBondContact O-CD2 3.36Å; Y299-F303 PolarHBondContact O-N 3.05Å; L300-F303 PolarHBondContact O-N 3.4Å; A301-F303 VanDerWaalsContact C-N 3.34Å; A301-F303 PolarHBondContact O-N 3.32Å; F303-R305 PolarHBondContact O-N 3.04Å; F303-I307 HydrophobicContact CD1-CB 4.31Å; F303-I307 HydrophobicContact CD1-CD1 4.39Å; F303-I307 HydrophobicContact CD1-CG2 4.33Å; F303-I307 HydrophobicContact CD2-CD1 4.05Å; F303-I307 HydrophobicContact CE1-CD1 4.25Å; F303-I307 HydrophobicContact CE1-CG2 4.3Å; F303-I307 HydrophobicContact CE2-CD1 3.91Å; F303-I307 HydrophobicContact CG-CD1 4.3Å; F303-I307 HydrophobicContact CZ-CD1 4.01Å; F303-I307 PolarHBondContact O-N 3.21Å; F303-M308 VanDerWaalsContact O-CB 3.31Å; F303-M308 WeakPolarHBondContact O-CB 3.44Å; F303-M308 VanDerWaalsContact O-CG 3.28Å; F303-M308 WeakPolarHBondContact O-CG 3.46Å; F303-M308 PolarHBondContact O-N 3.32Å
304	Y	94.4	Very high	93.7	Very high	168 Å²	168	76.2 Å²	76.2	66%	0.659	39%	0.39	S	S	*	.	I	π-helix	trans	-70.5	-31.1	-176.8	-77.4	-61.7	0	0	0	113.8	L300 A301	L300-Y304 HydrophobicContact CB-CD2 4.34Å; L300-Y304 HydrophobicContact CB-CE2 4.4Å; L300-Y304 HydrophobicContact CD2-CE2 4.14Å; L300-Y304 WeakPolarHBondContact O-CB 3.34Å; L300-Y304 WeakPolarHBondContact O-CD2 3.4Å; L300-Y304 PolarHBondContact O-N 3.04Å; A301-Y304 PolarHBondContact O-N 3.19Å
305	R	97.4	Very high	94	Very high	205 Å²	205	78.8 Å²	78.8	77%	0.774	40%	0.404	S	S	*	.	I	π-helix	trans	-96.8	-27.4	-173.6	-61.5	-62.2	-172.8	168.3	0.6	114.1	A301 F303	A301-R305 WeakPolarHBondContact O-CB 3.5Å; A301-R305 VanDerWaalsContact O-CG 3.23Å; A301-R305 WeakPolarHBondContact O-CG 3.21Å; A301-R305 PolarHBondContact O-N 3.18Å; F303-R305 PolarHBondContact O-N 3.04Å
306	L	96.7	Very high	94.3	Very high	74 Å²	74	77.4 Å²	77.4	39%	0.387	40%	0.397	S	S	.	.	I	π-helix	trans	-119.7	-62.6	-176.1	-59.9	175.2	0	0	0	111.3	I287 I302 P309 I310	I287-L306 HydrophobicContact CD1-CB 4.33Å; I287-L306 HydrophobicContact CD1-CD1 4.01Å; I287-L306 HydrophobicContact CG1-CD1 4.19Å; I287-L306 HydrophobicContact CG2-CD1 4.36Å; I302-L306 WeakPolarHBondContact O-CA 3.47Å; I302-L306 WeakPolarHBondContact O-CB 3.24Å; I302-L306 PolarHBondContact O-N 3.01Å; L306-P309 WeakPolarHBondContact O-CD 3.41Å; L306-I310 WeakPolarHBondContact O-CB 3.19Å; L306-I310 WeakPolarHBondContact O-CD1 3.48Å; L306-I310 WeakPolarHBondContact O-CG1 3.16Å; L306-I310 PolarHBondContact O-N 3.46Å; L306-I310 VanDerWaalsContact O-N 3.17Å
307	I	95.5	Very high	94.6	Very high	2 Å²	2	72.5 Å²	72.5	1%	0.01	37%	0.369	C	S	.	.	I	π-helix	trans	-66.4	-50.7	-167.4	-55.5	-169.5	0	0	0	111.6	I230 I253 I255 I287 I302 F303 I310 A311	I230-I307 HydrophobicContact CD1-CG2 3.97Å; I253-I307 HydrophobicContact CD1-CG2 4.26Å; I253-I307 HydrophobicContact CG2-CD1 4.16Å; I253-I307 HydrophobicContact CG2-CG1 4.08Å; I255-I307 HydrophobicContact CD1-CD1 3.79Å; I255-I307 HydrophobicContact CG1-CD1 4.1Å; I287-I307 HydrophobicContact CD1-CD1 4.37Å; I287-I307 HydrophobicContact CD1-CG1 4.12Å; I302-I307 HydrophobicContact CG2-CD1 4Å; I302-I307 HydrophobicContact CG2-CG1 4.08Å; I302-I307 PolarHBondContact O-N 3.5Å; F303-I307 HydrophobicContact CD1-CB 4.31Å; F303-I307 HydrophobicContact CD1-CD1 4.39Å; F303-I307 HydrophobicContact CD1-CG2 4.33Å; F303-I307 HydrophobicContact CD2-CD1 4.05Å; F303-I307 HydrophobicContact CE1-CD1 4.25Å; F303-I307 HydrophobicContact CE1-CG2 4.3Å; F303-I307 HydrophobicContact CE2-CD1 3.91Å; F303-I307 HydrophobicContact CG-CD1 4.3Å; F303-I307 HydrophobicContact CZ-CD1 4.01Å; F303-I307 PolarHBondContact O-N 3.21Å; I307-I310 PolarHBondContact O-N 3.29Å; I307-A311 WeakPolarHBondContact O-CB 3.35Å; I307-A311 PolarHBondContact O-N 3.22Å
308	M	95.8	Very high	94.8	Very high	80 Å²	80	68.6 Å²	68.6	39%	0.394	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-46.4	-176.3	-69	-68.9	-63.8	0	0	112.4	F303 T312	F303-M308 VanDerWaalsContact O-CB 3.31Å; F303-M308 WeakPolarHBondContact O-CB 3.44Å; F303-M308 VanDerWaalsContact O-CG 3.28Å; F303-M308 WeakPolarHBondContact O-CG 3.46Å; F303-M308 PolarHBondContact O-N 3.32Å; M308-T312 VanDerWaalsContact O-CB 3.31Å; M308-T312 WeakPolarHBondContact O-CB 3.13Å; M308-T312 PolarHBondContact O-N 3.09Å; M308-T312 PolarHBondContact O-OG1 2.99Å
309	P	98	Very high	95.1	Very high	63 Å²	63	66 Å²	66	41%	0.409	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-48.3	174.2	-27.2	35.8	0	0	0	113.4	L306 T312 E313	L306-P309 WeakPolarHBondContact O-CD 3.41Å; P309-T312 PolarHBondContact O-N 3.45Å; P309-E313 PolarHBondContact O-N 3.05Å
310	I	98.3	Very high	95.5	Very high	51 Å²	51	63.8 Å²	63.8	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-46.1	-178.9	-62.4	167.7	0	0	0	110.4	L251 I253 V285 L306 I307 T312 E313 F314	L251-I310 HydrophobicContact CD1-CG2 4.34Å; L251-I310 HydrophobicContact CD2-CG2 3.67Å; I253-I310 HydrophobicContact CD1-CB 4.41Å; I253-I310 HydrophobicContact CD1-CG2 4.14Å; V285-I310 HydrophobicContact CG1-CD1 4.15Å; V285-I310 HydrophobicContact CG2-CD1 4.29Å; L306-I310 WeakPolarHBondContact O-CB 3.19Å; L306-I310 WeakPolarHBondContact O-CD1 3.48Å; L306-I310 WeakPolarHBondContact O-CG1 3.16Å; L306-I310 PolarHBondContact O-N 3.46Å; L306-I310 VanDerWaalsContact O-N 3.17Å; I307-I310 PolarHBondContact O-N 3.29Å; I310-T312 VanDerWaalsContact C-N 3.32Å; I310-T312 PolarHBondContact O-N 3.42Å; I310-E313 PolarHBondContact O-N 3.28Å; I310-F314 WeakPolarHBondContact O-CB 3.29Å; I310-F314 PolarHBondContact O-N 3.07Å
311	A	96.8	Very high	95.9	Very high	14 Å²	14	59.5 Å²	59.5	12%	0.116	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-40.1	177.5	0	0	0	0	0	112	L228 I307 F314 N315 P316	L228-A311 HydrophobicContact CD2-CB 3.55Å; I307-A311 WeakPolarHBondContact O-CB 3.35Å; I307-A311 PolarHBondContact O-N 3.22Å; A311-F314 PolarHBondContact O-N 3.17Å; A311-N315 PolarHBondContact O-N 3.22Å; A311-P316 WeakPolarHBondContact O-CD 3.31Å
312	T	96.6	Very high	96	Very high	105 Å²	105	57.5 Å²	57.5	64%	0.644	28%	0.279	S	S	*	.	H	α-helix	trans	-63.5	-44.2	177.3	-56.8	0	0	0	0	111.2	M308 P309 I310 N315	M308-T312 VanDerWaalsContact O-CB 3.31Å; M308-T312 WeakPolarHBondContact O-CB 3.13Å; M308-T312 PolarHBondContact O-N 3.09Å; M308-T312 PolarHBondContact O-OG1 2.99Å; P309-T312 PolarHBondContact O-N 3.45Å; I310-T312 VanDerWaalsContact C-N 3.32Å; I310-T312 PolarHBondContact O-N 3.42Å; T312-N315 PolarHBondContact O-N 3.47Å
313	E	98.2	Very high	95.8	Very high	176 Å²	176	56.6 Å²	56.6	82%	0.822	28%	0.275	S	S	*	.	H	α-helix	trans	-67.6	-42.5	178.1	-175.3	173.1	172.7	0	0	112.1	P309 I310 N315	P309-E313 PolarHBondContact O-N 3.05Å; I310-E313 PolarHBondContact O-N 3.28Å; E313-N315 PolarHBondContact O-N 2.81Å
314	F	97.3	Very high	95.5	Very high	21 Å²	21	54.6 Å²	54.6	9%	0.092	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-28.2	177.1	-179.1	-116.9	0	0	0	112.8	R226 L228 L251 Y283 I310 A311 P316	R226-F314 HydrophobicContact CB-CE1 3.9Å; R226-F314 HydrophobicContact CB-CE2 4.18Å; R226-F314 HydrophobicContact CB-CZ 3.63Å; R226-F314 VanDerWaalsContact CD-O 3.29Å; R226-F314 WeakPolarHBondContact CD-O 3.31Å; R226-F314 HydrophobicContact CG-CE2 4.08Å; R226-F314 HydrophobicContact CG-CZ 4.02Å; R226-F314 PolarHBondContact NE-O 3.41Å; L228-F314 HydrophobicContact CB-CD1 4.29Å; L228-F314 HydrophobicContact CB-CE1 4.26Å; L251-F314 HydrophobicContact CB-CD1 3.77Å; L251-F314 HydrophobicContact CB-CD2 4.21Å; L251-F314 HydrophobicContact CB-CE1 3.61Å; L251-F314 HydrophobicContact CB-CE2 4.08Å; L251-F314 HydrophobicContact CB-CG 4.05Å; L251-F314 HydrophobicContact CB-CZ 3.77Å; L251-F314 HydrophobicContact CD2-CB 3.67Å; L251-F314 HydrophobicContact CD2-CD1 3.73Å; L251-F314 HydrophobicContact CD2-CD2 4.33Å; L251-F314 HydrophobicContact CD2-CE1 4.44Å; L251-F314 HydrophobicContact CD2-CG 3.65Å; L251-F314 HydrophobicContact CG-CD1 4.42Å; Y283-F314 HydrophobicContact CD1-CD2 4.1Å; Y283-F314 AromaticContact CD1-CE2 3.77Å; Y283-F314 HydrophobicContact CD1-CE2 3.77Å; Y283-F314 AromaticContact CE1-CD2 3.71Å; Y283-F314 HydrophobicContact CE1-CD2 3.71Å; Y283-F314 AromaticContact CE1-CE2 3.52Å; Y283-F314 HydrophobicContact CE1-CE2 3.52Å; I310-F314 WeakPolarHBondContact O-CB 3.29Å; I310-F314 PolarHBondContact O-N 3.07Å; A311-F314 PolarHBondContact O-N 3.17Å; F314-P316 HydrophobicContact CD1-CB 3.91Å; F314-P316 HydrophobicContact CD1-CG 4.4Å; F314-P316 HydrophobicContact CE1-CB 4.03Å
315	N	95.2	Very high	95.3	Very high	102 Å²	102	48.9 Å²	48.9	55%	0.545	25%	0.246	S	C	.	.			trans	50.2	62.7	178.6	-175.1	24.2	0	0	0	112.1	R226 A311 T312 E313	R226-N315 PolarHBondContact NE-O 3.48Å; R226-N315 PolarHBondContact NH2-O 2.9Å; A311-N315 PolarHBondContact O-N 3.22Å; T312-N315 PolarHBondContact O-N 3.47Å; E313-N315 PolarHBondContact O-N 2.81Å
316	P	94.5	Very high	94.7	Very high	27 Å²	27	40 Å²	40	18%	0.175	21%	0.214	C	C	.	.			trans	-63.5	144.2	-176.8	27.8	-35	0	0	0	111.2	L228 A311 F314 I319	L228-P316 HydrophobicContact CB-CB 3.6Å; L228-P316 HydrophobicContact CB-CG 3.9Å; L228-P316 HydrophobicContact CD2-CG 4.12Å; A311-P316 WeakPolarHBondContact O-CD 3.31Å; F314-P316 HydrophobicContact CD1-CB 3.91Å; F314-P316 HydrophobicContact CD1-CG 4.4Å; F314-P316 HydrophobicContact CE1-CB 4.03Å; P316-I319 HydrophobicContact CB-CG1 4.17Å; P316-I319 HydrophobicContact CG-CD1 4.14Å; P316-I319 HydrophobicContact CG-CG1 3.8Å
317	Q	91.9	Very high	94.2	Very high	25 Å²	25	37.8 Å²	37.8	12%	0.117	21%	0.207	C	C	.	.	S	Bend	trans	-88	-16.9	172.1	-63.2	162.9	-53.3	0	0	111.8	F221 L224 R226	F221-Q317 HydrophobicContact CD2-CG 3.99Å; F221-Q317 HydrophobicContact CE2-CG 3.91Å; L224-Q317 HydrophobicContact CD2-CB 3.5Å; R226-Q317 PolarHBondContact O-N 3.36Å
318	L	92.8	Very high	93.4	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	138	178.1	175	64.5	0	0	0	108.5	T166 V170 L209 L224 I227 L228 L320 L355 V357	T166-L318 HydrophobicContact CG2-CD1 4.05Å; T166-L318 HydrophobicContact CG2-CD2 3.64Å; T166-L318 HydrophobicContact CG2-CG 4.46Å; V170-L318 HydrophobicContact CG1-CD1 4.05Å; V170-L318 HydrophobicContact CG1-CD2 4Å; L209-L318 HydrophobicContact CD1-CD2 3.69Å; L224-L318 HydrophobicContact CD1-CD2 4.04Å; L224-L318 HydrophobicContact CD2-CB 3.99Å; I227-L318 WeakPolarHBondContact CA-O 3.39Å; I227-L318 HydrophobicContact CD1-CD2 4.28Å; I227-L318 HydrophobicContact CG1-CB 4.39Å; I227-L318 HydrophobicContact CG1-CD2 4.41Å; I227-L318 HydrophobicContact CG2-CD2 4.39Å; I227-L318 HydrophobicContact CG2-CG 4.47Å; L228-L318 PolarHBondContact N-O 2.98Å; L318-L320 HydrophobicContact CD1-CD2 4.35Å; L318-L320 HydrophobicContact CD2-CD2 3.96Å; L318-L320 HydrophobicContact CD2-CG 4.28Å; L318-L320 HydrophobicContact CG-CD2 4.12Å; L318-L320 HydrophobicContact CG-CG 4.35Å; L318-L355 HydrophobicContact CD1-CD1 4.38Å; L318-V357 HydrophobicContact CD1-CG2 4.11Å
319	I	96.4	Very high	92.6	Very high	11 Å²	11	42 Å²	42	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.2	172.3	-61.3	164.7	0	0	0	107.8	L228 I230 P316 I321 L355 L356 I358	L228-I319 HydrophobicContact CB-CG1 4.14Å; L228-I319 HydrophobicContact CD2-CD1 4.48Å; L228-I319 HydrophobicContact CD2-CG1 4.12Å; L228-I319 HydrophobicContact CG-CG1 4.43Å; L228-I319 HydrophobicContact CG-CG2 4.48Å; L228-I319 CarbonylContact O-C 3.5Å; L228-I319 VanDerWaalsContact O-CA 3.29Å; L228-I319 WeakPolarHBondContact O-CA 3.47Å; I230-I319 HydrophobicContact CD1-CG2 4.29Å; P316-I319 HydrophobicContact CB-CG1 4.17Å; P316-I319 HydrophobicContact CG-CD1 4.14Å; P316-I319 HydrophobicContact CG-CG1 3.8Å; I319-I321 HydrophobicContact CG2-CG1 4.2Å; I319-L355 WeakPolarHBondContact O-CD1 3.44Å; I319-L356 VanDerWaalsContact CB-O 3.22Å; I319-L356 WeakPolarHBondContact CB-O 3.41Å; I319-L356 WeakPolarHBondContact CG2-O 3.18Å; I319-I358 HydrophobicContact CD1-CB 3.91Å; I319-I358 HydrophobicContact CD1-CD1 4.33Å; I319-I358 HydrophobicContact CD1-CG1 4.01Å
320	L	97.6	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.5	171.8	-59.6	-179.2	0	0	0	108.4	T166 I202 T205 A206 I227 L228 I229 I230 L318 L355	T166-L320 HydrophobicContact CG2-CD2 3.88Å; I202-L320 HydrophobicContact CD1-CB 4.05Å; I202-L320 HydrophobicContact CG2-CB 4.11Å; I202-L320 HydrophobicContact CG2-CD1 4Å; T205-L320 HydrophobicContact CG2-CD1 4.43Å; A206-L320 HydrophobicContact CB-CD1 3.91Å; I227-L320 HydrophobicContact CG2-CD1 3.89Å; I227-L320 HydrophobicContact CG2-CG 3.97Å; L228-L320 PolarHBondContact O-N 3.32Å; I229-L320 VanDerWaalsContact CA-O 3.32Å; I229-L320 WeakPolarHBondContact CA-O 3.47Å; I229-L320 HydrophobicContact CG1-CB 4.23Å; I229-L320 HydrophobicContact CG1-CD1 4.38Å; I230-L320 PolarHBondContact N-O 3.47Å; L318-L320 HydrophobicContact CD1-CD2 4.35Å; L318-L320 HydrophobicContact CD2-CD2 3.96Å; L318-L320 HydrophobicContact CD2-CG 4.28Å; L318-L320 HydrophobicContact CG-CD2 4.12Å; L318-L320 HydrophobicContact CG-CG 4.35Å; L320-L355 HydrophobicContact CD2-CD1 3.32Å
321	I	97.6	Very high	90.3	Very high	4 Å²	4	40 Å²	40	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.8	176.4	-46.5	-179.6	0	0	0	110.9	I230 W232 I319 C323 F354 L356	I230-I321 HydrophobicContact CB-CG1 4.44Å; I230-I321 HydrophobicContact CB-CG2 4.44Å; I230-I321 CarbonylContact O-C 3.53Å; I230-I321 WeakPolarHBondContact O-CA 3.48Å; I230-I321 WeakPolarHBondContact O-CG2 3.28Å; W232-I321 HydrophobicContact CD2-CG2 3.93Å; W232-I321 HydrophobicContact CE3-CG2 4.08Å; W232-I321 HydrophobicContact CG-CG2 4.49Å; W232-I321 HydrophobicContact CH2-CD1 4.26Å; W232-I321 HydrophobicContact CH2-CG2 4.35Å; W232-I321 HydrophobicContact CZ2-CG2 4.22Å; W232-I321 HydrophobicContact CZ3-CD1 4.23Å; W232-I321 HydrophobicContact CZ3-CG2 4.29Å; I319-I321 HydrophobicContact CG2-CG1 4.2Å; I321-C323 HydrophobicContact CB-CB 4.47Å; I321-C323 HydrophobicContact CG2-CB 3.95Å; I321-C323 PolarHBondContact O-N 3.22Å; I321-C323 VanDerWaalsContact O-N 3.09Å; I321-F354 CarbonylContact C-O 3.45Å; I321-F354 WeakPolarHBondContact CA-O 3.31Å; I321-F354 HydrophobicContact CB-CB 4.45Å; I321-F354 WeakPolarHBondContact CB-O 3.47Å; I321-F354 PolarHBondContact N-O 3.14Å; I321-F354 PolarHBondContact O-N 2.75Å; I321-L356 HydrophobicContact CD1-CB 3.47Å; I321-L356 VanDerWaalsContact CD1-CB 3.47Å; I321-L356 HydrophobicContact CG1-CB 4.44Å
322	S	96.4	Very high	89	Confident	8 Å²	8	43.6 Å²	43.6	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	94.1	161.5	-75.8	0	0	0	0	107.7	I230 D231 W232 G324	I230-S322 PolarHBondContact O-N 2.66Å; D231-S322 VanDerWaalsContact OD1-CB 3.26Å; D231-S322 WeakPolarHBondContact OD1-CB 3.41Å; W232-S322 PolarHBondContact N-O 2.78Å; S322-G324 PolarHBondContact O-N 3.26Å
323	C	91.6	Very high	87.5	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	24%	0.24	C	C	.	.			trans	-105.1	71.5	-164	-176.1	0	0	0	0	111.9	W232 I321 F325 L351 S352 S353 F354	W232-C323 HydrophobicContact CZ2-CB 4.26Å; W232-C323 WeakPolarHBondContact CZ2-SG 3.23Å; W232-C323 PolarHBondContact NE1-SG 3.23Å; I321-C323 HydrophobicContact CB-CB 4.47Å; I321-C323 HydrophobicContact CG2-CB 3.95Å; I321-C323 PolarHBondContact O-N 3.22Å; I321-C323 VanDerWaalsContact O-N 3.09Å; C323-F325 HydrophobicContact CB-CE2 4.42Å; C323-F325 WeakPolarHBondContact O-CD2 3.18Å; C323-F325 WeakPolarHBondContact SG-CE2 3.44Å; C323-F325 WeakPolarHBondContact SG-CZ 3.45Å; C323-L351 CarbonylContact O-C 3.45Å; C323-S352 CarbonylContact O-C 3.5Å; C323-S352 VanDerWaalsContact O-CA 3.24Å; C323-S352 WeakPolarHBondContact O-CA 3.34Å; C323-S353 PolarHBondContact O-N 3.16Å; C323-F354 HydrophobicContact CB-CB 3.83Å; C323-F354 HydrophobicContact CB-CD2 3.85Å; C323-F354 HydrophobicContact CB-CG 4.26Å; C323-F354 WeakPolarHBondContact SG-CD2 3.44Å
324	G	87.8	Confident	85.5	Confident	5 Å²	5	33.7 Å²	33.7	5%	0.052	21%	0.207	C	C	.	.			trans	-66.8	151.1	163.4	0	0	0	0	0	111.3	W232 D233 S322	W232-G324 PolarHBondContact NE1-O 3.39Å; W232-G324 VanDerWaalsContact NE1-O 3.12Å; D233-G324 VanDerWaalsContact OD2-CA 3.24Å; D233-G324 WeakPolarHBondContact OD2-CA 3.44Å; S322-G324 PolarHBondContact O-N 3.26Å
325	F	88.9	Confident	83.1	Confident	48 Å²	48	35.4 Å²	35.4	21%	0.211	22%	0.222	C	C	.	.			trans	-122.1	15.7	173.5	-71.9	-102.3	0	0	0	111.5	C323 A327 A328 I349 L351 F354	C323-F325 HydrophobicContact CB-CE2 4.42Å; C323-F325 WeakPolarHBondContact O-CD2 3.18Å; C323-F325 WeakPolarHBondContact SG-CE2 3.44Å; C323-F325 WeakPolarHBondContact SG-CZ 3.45Å; F325-A327 PolarHBondContact O-N 3.16Å; F325-A328 WeakPolarHBondContact O-CB 3.49Å; F325-A328 PolarHBondContact O-N 3.38Å; F325-A328 VanDerWaalsContact O-N 3.14Å; F325-I349 WeakPolarHBondContact CB-O 3.33Å; F325-L351 VanDerWaalsContact CD2-C 3.43Å; F325-L351 VanDerWaalsContact CD2-CA 3.49Å; F325-L351 HydrophobicContact CD2-CB 3.1Å; F325-L351 HydrophobicContact CD2-CG 4.46Å; F325-L351 VanDerWaalsContact CD2-O 3.24Å; F325-L351 WeakPolarHBondContact CD2-O 3.49Å; F325-L351 HydrophobicContact CE2-CB 3.08Å; F325-L351 HydrophobicContact CE2-CD1 4.29Å; F325-L351 HydrophobicContact CE2-CG 4.29Å; F325-L351 HydrophobicContact CG-CB 3.83Å; F325-L351 HydrophobicContact CZ-CB 3.91Å; F325-L351 HydrophobicContact CZ-CD1 4.32Å; F325-F354 HydrophobicContact CE1-CE2 4.44Å; F325-F354 AromaticContact CE2-CD2 3.79Å; F325-F354 HydrophobicContact CE2-CD2 3.79Å; F325-F354 AromaticContact CE2-CE2 3.39Å; F325-F354 HydrophobicContact CE2-CE2 3.39Å; F325-F354 HydrophobicContact CE2-CZ 4.33Å; F325-F354 AromaticContact CZ-CD2 3.78Å; F325-F354 HydrophobicContact CZ-CD2 3.78Å; F325-F354 AromaticContact CZ-CE2 3.17Å; F325-F354 HydrophobicContact CZ-CE2 3.17Å; F325-F354 AromaticContact CZ-CZ 3.69Å; F325-F354 HydrophobicContact CZ-CZ 3.69Å
326	D	85.5	Confident	80.2	Confident	18 Å²	18	35.3 Å²	35.3	10%	0.096	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.2	170.9	45	13.1	0	0	0	112.8	D233 V234 H235 A328 C331 V334 F350	D233-D326 VanDerWaalsContact OD1-OD2 3.14Å; V234-D326 HydrophobicContact CB-CB 4.48Å; V234-D326 HydrophobicContact CG1-CB 3.81Å; V234-D326 PolarHBondContact N-OD1 3.49Å; H235-D326 IonicContact CE1-OD2 3.76Å; H235-D326 PolarHBondContact CE1-OD2 2.83Å; H235-D326 IonicContact ND1-OD2 3.33Å; H235-D326 PolarHBondContact ND1-OD2 2.87Å; H235-D326 VanDerWaalsContact ND1-OD2 3.11Å; D326-A328 PolarHBondContact O-N 3.42Å; D326-C331 WeakPolarHBondContact O-CB 3.23Å; D326-C331 PolarHBondContact O-SG 3.07Å; D326-V334 WeakPolarHBondContact O-CG2 3.41Å; D326-F350 HydrophobicContact CB-CD1 4.36Å; D326-F350 HydrophobicContact CB-CE1 4.29Å
327	A	85.4	Confident	77	Confident	28 Å²	28	43.4 Å²	43.4	23%	0.231	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.4	165.5	0	0	0	0	0	113.9	V234 Y299 F325	V234-A327 HydrophobicContact CB-CB 4.16Å; V234-A327 HydrophobicContact CG2-CB 4.44Å; Y299-A327 WeakPolarHBondContact OH-CB 3.45Å; F325-A327 PolarHBondContact O-N 3.16Å
328	A	79.9	Confident	74.2	Confident	42 Å²	42	45.4 Å²	45.4	35%	0.347	28%	0.279	S	S	.	.	S	Bend	trans	-76.6	157.9	-174.2	0	0	0	0	0	113.5	F325 D326 G330 C331	F325-A328 WeakPolarHBondContact O-CB 3.49Å; F325-A328 PolarHBondContact O-N 3.38Å; F325-A328 VanDerWaalsContact O-N 3.14Å; D326-A328 PolarHBondContact O-N 3.42Å; A328-G330 PolarHBondContact O-N 3.2Å; A328-C331 WeakPolarHBondContact O-CB 3.44Å; A328-C331 PolarHBondContact O-N 3Å
329	I	77.2	Confident	71.1	Confident	130 Å²	130	54.2 Å²	54.2	67%	0.667	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	133.3	172.6	-75.7	172.3	0	0	0	110.8	L338	I329-L338 HydrophobicContact CD1-CB 4.05Å; I329-L338 HydrophobicContact CD1-CD1 3.98Å; I329-L338 HydrophobicContact CD1-CG 4.45Å; I329-L338 HydrophobicContact CG1-CB 3.92Å; I329-L338 HydrophobicContact CG1-CD1 3.39Å; I329-L338 HydrophobicContact CG1-CG 4.2Å
330	G	73.6	Confident	67.9	Low	63 Å²	63	61.2 Å²	61.2	65%	0.649	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-3.6	177.1	0	0	0	0	0	114.2	A328	A328-G330 PolarHBondContact O-N 3.2Å
331	C	74.4	Confident	64.5	Low	9 Å²	9	68.2 Å²	68.2	6%	0.061	40%	0.397	C	S	.	.			trans	-67	131.4	168.7	-178.5	0	0	0	0	111.3	D326 A328 E333 V334 F350	D326-C331 WeakPolarHBondContact O-CB 3.23Å; D326-C331 PolarHBondContact O-SG 3.07Å; A328-C331 WeakPolarHBondContact O-CB 3.44Å; A328-C331 PolarHBondContact O-N 3Å; C331-E333 PolarHBondContact O-N 2.97Å; C331-E333 VanDerWaalsContact SG-CB 3.55Å; C331-E333 PolarHBondContact SG-N 3.12Å; C331-V334 HydrophobicContact CB-CG2 4.21Å; C331-V334 PolarHBondContact O-N 3.19Å; C331-F350 HydrophobicContact CB-CE1 3.69Å; C331-F350 HydrophobicContact CB-CZ 4.07Å; C331-F350 WeakPolarHBondContact SG-CE1 3.39Å
332	P	70.9	Confident	61.1	Low	89 Å²	89	74.9 Å²	74.9	58%	0.578	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-57.1	-34.3	170.8	-25.1	35.3	0	0	0	113.6	V334 S335	P332-V334 VanDerWaalsContact C-N 3.3Å; P332-V334 PolarHBondContact O-N 3.44Å; P332-S335 PolarHBondContact O-N 3.23Å
333	E	64.5	Low	57.9	Low	52 Å²	52	85 Å²	85	24%	0.243	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-71.7	-16.4	-176.5	-62	-57.8	142.9	0	0	114.1	Q77 V234 R257 F263 C331	Q77-E333 VanDerWaalsContact CD-OE1 3.27Å; Q77-E333 PolarHBondContact NE2-OE1 3.07Å; Q77-E333 PolarHBondContact OE1-OE1 3.42Å; V234-E333 HydrophobicContact CG1-CB 4.48Å; R257-E333 PolarHBondContact NH1-O 2.77Å; F263-E333 HydrophobicContact CZ-CB 4.47Å; C331-E333 PolarHBondContact O-N 2.97Å; C331-E333 VanDerWaalsContact SG-CB 3.55Å; C331-E333 PolarHBondContact SG-N 3.12Å
334	V	56.5	Low	54.8	Low	20 Å²	20	88.2 Å²	88.2	12%	0.121	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-88.6	-9	179.5	172.4	0	0	0	0	112.8	V234 D326 C331 P332	V234-V334 HydrophobicContact CG2-CG2 4.15Å; D326-V334 WeakPolarHBondContact O-CG2 3.41Å; C331-V334 HydrophobicContact CB-CG2 4.21Å; C331-V334 PolarHBondContact O-N 3.19Å; P332-V334 VanDerWaalsContact C-N 3.3Å; P332-V334 PolarHBondContact O-N 3.44Å
335	S	47.6	Very low	51.9	Low	58 Å²	58	98 Å²	98	41%	0.406	54%	0.54	S	S	.	.			trans	61.8	126.6	-168.1	81.4	0	0	0	0	113.6	P332 K337	P332-S335 PolarHBondContact O-N 3.23Å; S335-K337 PolarHBondContact O-N 3.41Å; S335-K337 VanDerWaalsContact O-N 3.09Å
336	A	32.8	Very low	49	Very low	100 Å²	100	101.7 Å²	101.7	83%	0.826	56%	0.562	S	S	*	*	S	Bend	trans	-69.4	101.3	-171.7	0	0	0	0	0	112.9
337	K	29.1	Very low	46.2	Very low	197 Å²	197	108.7 Å²	108.7	86%	0.857	59%	0.594	S	S	*	*			trans	-167.9	72.3	151.2	-105.9	172.8	-167.9	-178.7	0	110.7	S335	S335-K337 PolarHBondContact O-N 3.41Å; S335-K337 VanDerWaalsContact O-N 3.09Å
338	L	32.2	Very low	43.5	Very low	67 Å²	67	113.2 Å²	113.2	35%	0.351	61%	0.614	S	S	.	*			trans	-112.1	131.2	156.4	-85.4	159.2	0	0	0	108.4	T295 I329 N340	T295-L338 HydrophobicContact CG2-CD2 4.21Å; I329-L338 HydrophobicContact CD1-CB 4.05Å; I329-L338 HydrophobicContact CD1-CD1 3.98Å; I329-L338 HydrophobicContact CD1-CG 4.45Å; I329-L338 HydrophobicContact CG1-CB 3.92Å; I329-L338 HydrophobicContact CG1-CD1 3.39Å; I329-L338 HydrophobicContact CG1-CG 4.2Å; L338-N340 PolarHBondContact O-N 3.3Å
339	M	28.4	Very low	41.2	Very low	188 Å²	188	115.1 Å²	115.1	93%	0.926	62%	0.618	S	S	*	*			trans	-52.3	124	-167.4	-109.2	178.1	-178.8	0	0	112.3	N341	M339-N341 VanDerWaalsContact C-N 3.33Å; M339-N341 PolarHBondContact O-N 3.42Å
340	N	27.4	Very low	38.9	Very low	157 Å²	157	111.5 Å²	111.5	84%	0.84	60%	0.597	S	S	*	*			trans	-59.6	97	154.4	-81	-37.3	0	0	0	108.1	L338	L338-N340 PolarHBondContact O-N 3.3Å
341	N	27	Very low	37	Very low	147 Å²	147	109.3 Å²	109.3	79%	0.786	57%	0.571	S	S	*	*			trans	178.7	102.5	144	-90.7	-23.1	0	0	0	109.1	M339	M339-N341 VanDerWaalsContact C-N 3.33Å; M339-N341 PolarHBondContact O-N 3.42Å
342	I	27.5	Very low	34.8	Very low	144 Å²	144	109.3 Å²	109.3	74%	0.738	57%	0.571	S	S	*	*	S	Bend	trans	152.3	106.3	134.1	-78.9	164.4	0	0	0	107.6
343	Y	27.8	Very low	32.9	Very low	221 Å²	221	105.8 Å²	105.8	87%	0.867	55%	0.548	S	S	*	.			trans	70.8	106.4	177.5	-51.4	-62	0	0	0	116.8
344	G	26.8	Very low	31.2	Very low	69 Å²	69	106.4 Å²	106.4	71%	0.711	55%	0.55	S	S	*	*			trans	-67	143.4	170.1	0	0	0	0	0	111.3
345	Y	26.1	Very low	29.9	Very low	211 Å²	211	106 Å²	106	83%	0.827	55%	0.548	S	S	*	.			trans	-173.2	135.5	138.9	-100.4	-74.7	0	0	0	108.6
346	D	28	Very low	29.1	Very low	125 Å²	125	107.3 Å²	107.3	67%	0.668	55%	0.549	S	S	*	.			trans	22	115.6	169.8	-71.3	-47.1	0	0	0	121.5
347	Q	28.1	Very low	29	Very low	165 Å²	165	104 Å²	104	77%	0.771	52%	0.519	S	S	*	.	S	Bend	trans	-53.6	137.8	148.3	-62.2	175.5	-12.2	0	0	108.9
348	N	28.1	Very low	29	Very low	124 Å²	124	99 Å²	99	66%	0.663	50%	0.501	S	S	*	.			trans	108.3	76.5	174.5	-56.5	-52.1	0	0	0	115.2
349	I	30.6	Very low	28.8	Very low	82 Å²	82	104.2 Å²	104.2	42%	0.421	53%	0.529	S	S	.	.			trans	-138.2	90.9	151.6	-57.2	-178.1	0	0	0	108.5	R89 F325 L351	R89-I349 HydrophobicContact CG-CD1 4.41Å; F325-I349 WeakPolarHBondContact CB-O 3.33Å; I349-L351 HydrophobicContact CG2-CB 4.33Å; I349-L351 HydrophobicContact CG2-CD1 3.5Å; I349-L351 VanDerWaalsContact CG2-CD1 3.5Å; I349-L351 HydrophobicContact CG2-CG 3.72Å
350	F	30.4	Very low	28.8	Very low	54 Å²	54	100 Å²	100	24%	0.237	51%	0.509	C	S	.	.			trans	-97.9	108.4	159.8	-62.8	-63.2	0	0	0	107.1	R82 D326 C331	R82-F350 HydrophobicContact CG-CB 4.35Å; D326-F350 HydrophobicContact CB-CD1 4.36Å; D326-F350 HydrophobicContact CB-CE1 4.29Å; C331-F350 HydrophobicContact CB-CE1 3.69Å; C331-F350 HydrophobicContact CB-CZ 4.07Å; C331-F350 WeakPolarHBondContact SG-CE1 3.39Å
351	L	32.2	Very low	28.8	Very low	17 Å²	17	97 Å²	97	9%	0.089	49%	0.491	C	S	.	.			trans	-110.4	159.9	177.6	-89.8	171.4	0	0	0	109.2	A86 L180 C323 F325 I349 F354	A86-L351 HydrophobicContact CB-CD1 4.13Å; A86-L351 HydrophobicContact CB-CD2 3.09Å; A86-L351 HydrophobicContact CB-CG 3.49Å; A86-L351 VanDerWaalsContact CB-CG 3.49Å; L180-L351 HydrophobicContact CD2-CD2 3.14Å; L180-L351 HydrophobicContact CG-CD2 4.48Å; C323-L351 CarbonylContact O-C 3.45Å; F325-L351 VanDerWaalsContact CD2-C 3.43Å; F325-L351 VanDerWaalsContact CD2-CA 3.49Å; F325-L351 HydrophobicContact CD2-CB 3.1Å; F325-L351 HydrophobicContact CD2-CG 4.46Å; F325-L351 VanDerWaalsContact CD2-O 3.24Å; F325-L351 WeakPolarHBondContact CD2-O 3.49Å; F325-L351 HydrophobicContact CE2-CB 3.08Å; F325-L351 HydrophobicContact CE2-CD1 4.29Å; F325-L351 HydrophobicContact CE2-CG 4.29Å; F325-L351 HydrophobicContact CG-CB 3.83Å; F325-L351 HydrophobicContact CZ-CB 3.91Å; F325-L351 HydrophobicContact CZ-CD1 4.32Å; I349-L351 HydrophobicContact CG2-CB 4.33Å; I349-L351 HydrophobicContact CG2-CD1 3.5Å; I349-L351 VanDerWaalsContact CG2-CD1 3.5Å; I349-L351 HydrophobicContact CG2-CG 3.72Å; L351-F354 HydrophobicContact CD1-CE2 4.42Å
352	S	28.7	Very low	29	Very low	8 Å²	8	94.2 Å²	94.2	6%	0.056	48%	0.475	C	S	.	.			trans	-130	140.7	179	46.6	0	0	0	0	108.7	A179 I181 C323	A179-S352 VanDerWaalsContact O-O 3.1Å; I181-S352 PolarHBondContact O-OG 3.35Å; C323-S352 CarbonylContact O-C 3.5Å; C323-S352 VanDerWaalsContact O-CA 3.24Å; C323-S352 WeakPolarHBondContact O-CA 3.34Å
353	S	30.5	Very low	29	Very low	15 Å²	15	91.3 Å²	91.3	11%	0.105	46%	0.459	C	S	.	.			trans	49.1	95.1	168.8	-52.4	0	0	0	0	119.3	L178 A179 C323	L178-S353 VanDerWaalsContact CD1-O 3.28Å; L178-S353 WeakPolarHBondContact CD1-O 3.49Å; A179-S353 PolarHBondContact N-O 3.46Å; C323-S353 PolarHBondContact O-N 3.16Å
354	F	30.3	Very low	29.1	Very low	65 Å²	65	83.2 Å²	83.2	29%	0.285	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	147.4	166.7	-84.2	-119	0	0	0	109.4	L178 I321 C323 F325 L351	L178-F354 HydrophobicContact CD1-CB 4.42Å; L178-F354 HydrophobicContact CD1-CD1 4.2Å; L178-F354 HydrophobicContact CD1-CD2 3.31Å; L178-F354 HydrophobicContact CD1-CE1 4.3Å; L178-F354 HydrophobicContact CD1-CE2 3.45Å; L178-F354 VanDerWaalsContact CD1-CE2 3.45Å; L178-F354 HydrophobicContact CD1-CG 3.74Å; L178-F354 HydrophobicContact CD1-CZ 3.98Å; L178-F354 HydrophobicContact CD2-CE1 4.43Å; L178-F354 HydrophobicContact CD2-CE2 4.23Å; L178-F354 HydrophobicContact CD2-CZ 4.05Å; I321-F354 CarbonylContact C-O 3.45Å; I321-F354 WeakPolarHBondContact CA-O 3.31Å; I321-F354 HydrophobicContact CB-CB 4.45Å; I321-F354 WeakPolarHBondContact CB-O 3.47Å; I321-F354 PolarHBondContact N-O 3.14Å; I321-F354 PolarHBondContact O-N 2.75Å; C323-F354 HydrophobicContact CB-CB 3.83Å; C323-F354 HydrophobicContact CB-CD2 3.85Å; C323-F354 HydrophobicContact CB-CG 4.26Å; C323-F354 WeakPolarHBondContact SG-CD2 3.44Å; F325-F354 HydrophobicContact CE1-CE2 4.44Å; F325-F354 AromaticContact CE2-CD2 3.79Å; F325-F354 HydrophobicContact CE2-CD2 3.79Å; F325-F354 AromaticContact CE2-CE2 3.39Å; F325-F354 HydrophobicContact CE2-CE2 3.39Å; F325-F354 HydrophobicContact CE2-CZ 4.33Å; F325-F354 AromaticContact CZ-CD2 3.78Å; F325-F354 HydrophobicContact CZ-CD2 3.78Å; F325-F354 AromaticContact CZ-CE2 3.17Å; F325-F354 HydrophobicContact CZ-CE2 3.17Å; F325-F354 AromaticContact CZ-CZ 3.69Å; F325-F354 HydrophobicContact CZ-CZ 3.69Å; L351-F354 HydrophobicContact CD1-CE2 4.42Å
355	L	28.7	Very low	29.3	Very low	13 Å²	13	84.1 Å²	84.1	7%	0.068	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	95.9	169.8	-179.4	75.9	0	0	0	106.9	L165 V169 N176 G177 L318 I319 L320	L165-L355 HydrophobicContact CG-CD2 4.5Å; V169-L355 HydrophobicContact CB-CD2 4.09Å; V169-L355 HydrophobicContact CG1-CD2 4.34Å; V169-L355 HydrophobicContact CG2-CD2 3.68Å; N176-L355 WeakPolarHBondContact CB-O 3.42Å; G177-L355 PolarHBondContact N-O 3.41Å; G177-L355 WeakPolarHBondContact O-CA 3.47Å; G177-L355 VanDerWaalsContact O-CB 3.22Å; G177-L355 WeakPolarHBondContact O-CB 3.44Å; G177-L355 PolarHBondContact O-N 3.28Å; G177-L355 VanDerWaalsContact O-O 3.11Å; L318-L355 HydrophobicContact CD1-CD1 4.38Å; I319-L355 WeakPolarHBondContact O-CD1 3.44Å; L320-L355 HydrophobicContact CD2-CD1 3.32Å
356	L	30.8	Very low	29.5	Very low	84 Å²	84	75.1 Å²	75.1	44%	0.44	39%	0.386	S	S	.	.			trans	-98.2	103.5	174.3	-166.5	87.7	0	0	0	108.3	I319 I321 I358	I319-L356 VanDerWaalsContact CB-O 3.22Å; I319-L356 WeakPolarHBondContact CB-O 3.41Å; I319-L356 WeakPolarHBondContact CG2-O 3.18Å; I321-L356 HydrophobicContact CD1-CB 3.47Å; I321-L356 VanDerWaalsContact CD1-CB 3.47Å; I321-L356 HydrophobicContact CG1-CB 4.44Å; L356-I358 HydrophobicContact CD2-CD1 3.76Å; L356-I358 HydrophobicContact CD2-CG1 3.52Å; L356-I358 HydrophobicContact CG-CG1 4.08Å; L356-I358 PolarHBondContact O-N 3.41Å
357	V	29.8	Very low	29.6	Very low	32 Å²	32	71.2 Å²	71.2	19%	0.194	36%	0.364	C	S	.	.			trans	-83.7	110.7	163.3	-179.8	0	0	0	0	107.1	V169 L318	V169-V357 HydrophobicContact CG1-CB 4.49Å; V169-V357 HydrophobicContact CG1-CG2 3.46Å; V169-V357 VanDerWaalsContact CG1-CG2 3.46Å; L318-V357 HydrophobicContact CD1-CG2 4.11Å
358	I	28.8	Very low	29.8	Very low	92 Å²	92	63.4 Å²	63.4	47%	0.472	33%	0.33	S	S	.	.			trans	-85.9	125.3	165.1	-51.2	179.7	0	0	0	105.8	I319 L356	I319-I358 HydrophobicContact CD1-CB 3.91Å; I319-I358 HydrophobicContact CD1-CD1 4.33Å; I319-I358 HydrophobicContact CD1-CG1 4.01Å; L356-I358 HydrophobicContact CD2-CD1 3.76Å; L356-I358 HydrophobicContact CD2-CG1 3.52Å; L356-I358 HydrophobicContact CG-CG1 4.08Å; L356-I358 PolarHBondContact O-N 3.41Å
359	D	28.1	Very low	29.9	Very low	175 Å²	175	57.9 Å²	57.9	94%	0.936	30%	0.3	S	S	*	.			trans	-79.1	0	174.6	-150.6	23.6	0	0	0	110.5	H219	H219-D359 IonicContact CE1-OD1 3.49Å

Retrieved 359 of 359 residues in 286.8 ms (Link to these results)

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