A0A060XY53_ONCMY Loading...

Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma

AlphaFold DB , UniProt , Accession A0A060XY53, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110532655, Length 415 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	37.1	Very low	252 Å²	252	132.2 Å²	132.2	100%	1.241	85%	0.85	S	S	*	*				0	130.1	0	-87.7	-178.7	166.9	0	0	108.2
2	A	38.7	Very low	37.2	Very low	98 Å²	98	136 Å²	136	81%	0.81	85%	0.852	S	S	*	*			trans	-68.3	153.7	-178.6	0	0	0	0	0	112.8
3	S	31.9	Very low	37.4	Very low	123 Å²	123	134.8 Å²	134.8	86%	0.86	84%	0.843	S	S	*	*				-162.4	140.7	128.1	-166.3	0	0	0	0	111.1
4	I	38.6	Very low	37.9	Very low	166 Å²	166	136.1 Å²	136.1	85%	0.851	84%	0.838	S	S	*	*			trans	-109.8	149.7	-174	-68.4	165.5	0	0	0	108.1
5	G	32.2	Very low	38	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	84%	0.837	S	S	*	*			trans	103.1	139	160.8	0	0	0	0	0	113.9
6	N	33.7	Very low	38.5	Very low	165 Å²	165	133.4 Å²	133.4	88%	0.882	82%	0.822	S	S	*	*			cis	-149.7	146	18.6	-113.9	-14.8	0	0	0	110.4
7	A	41.2	Very low	38.7	Very low	99 Å²	99	132.4 Å²	132.4	82%	0.818	82%	0.818	S	S	*	*			trans	-72.8	136.7	173.6	0	0	0	0	0	111.3
8	V	38.5	Very low	38.8	Very low	138 Å²	138	136.2 Å²	136.2	84%	0.836	82%	0.821	S	S	*	*			trans	-125.3	109.9	158.5	-172.8	0	0	0	0	107	S10	V8-S10 PolarHBondContact O-N 2.63Å
9	S	35.8	Very low	39.2	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	82%	0.819	S	S	*	*			trans	-68.6	114.8	179.6	53.9	0	0	0	0	110.7
10	S	41.3	Very low	39.5	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	82%	0.821	S	S	*	*			trans	-82.6	131.7	160	-61.4	0	0	0	0	108.4	V8 M12	V8-S10 PolarHBondContact O-N 2.63Å; S10-M12 PolarHBondContact O-N 3.25Å
11	P	38.7	Very low	39.8	Very low	124 Å²	124	138.2 Å²	138.2	81%	0.805	82%	0.819	S	S	*	*			trans	-70	107.7	175.3	27.7	-30.6	0	0	0	108.6	V13	P11-V13 PolarHBondContact O-N 3.18Å; P11-V13 VanDerWaalsContact O-N 3.14Å
12	M	37.7	Very low	40.1	Very low	178 Å²	178	135.2 Å²	135.2	88%	0.877	80%	0.799	S	S	*	*			trans	-71.3	105.6	172.7	-147.9	178.8	175	0	0	107.5	S10 I14	S10-M12 PolarHBondContact O-N 3.25Å; M12-I14 PolarHBondContact O-N 2.86Å
13	V	40.5	Very low	40.3	Very low	121 Å²	121	139.8 Å²	139.8	73%	0.733	80%	0.8	S	S	*	*			trans	-67.3	101	173.5	177.9	0	0	0	0	107.7	P11 L15	P11-V13 PolarHBondContact O-N 3.18Å; P11-V13 VanDerWaalsContact O-N 3.14Å; V13-L15 PolarHBondContact O-N 3.27Å
14	I	43.7	Very low	41	Very low	152 Å²	152	141.7 Å²	141.7	78%	0.779	79%	0.793	S	S	*	*			trans	-72.3	98.6	170.8	-60.1	174.7	0	0	0	107.2	M12 A16	M12-I14 PolarHBondContact O-N 2.86Å; I14-A16 PolarHBondContact O-N 3.06Å
15	L	40.2	Very low	41.1	Very low	157 Å²	157	142.5 Å²	142.5	82%	0.822	79%	0.793	S	S	*	*			trans	-68.5	96.2	166.4	-90.9	153.4	0	0	0	108.5	V13	V13-L15 PolarHBondContact O-N 3.27Å
16	A	46.2	Very low	41.9	Very low	73 Å²	73	147.4 Å²	147.4	60%	0.603	80%	0.796	S	S	*	*			trans	-60.1	132.3	168.9	0	0	0	0	0	109.7	I14 K18	I14-A16 PolarHBondContact O-N 3.06Å; A16-K18 PolarHBondContact O-N 3.2Å; A16-K18 VanDerWaalsContact O-N 3.07Å
17	P	40.8	Very low	42.3	Very low	116 Å²	116	145.9 Å²	145.9	75%	0.753	79%	0.792	S	S	*	*			trans	-67.1	113.9	176	27.2	-31.2	0	0	0	108.2	T19	P17-T19 VanDerWaalsContact C-N 3.3Å; P17-T19 PolarHBondContact O-N 3.17Å
18	K	41.5	Very low	42.4	Very low	201 Å²	201	149.2 Å²	149.2	87%	0.874	79%	0.791	S	S	*	*			trans	-68.3	89.6	173	-70.9	-178.4	178.7	177.5	0	108.7	A16 K20	A16-K18 PolarHBondContact O-N 3.2Å; A16-K18 VanDerWaalsContact O-N 3.07Å; K18-K20 PolarHBondContact O-N 2.91Å
19	T	46.6	Very low	42.5	Very low	126 Å²	126	149.3 Å²	149.3	77%	0.773	78%	0.782	S	S	*	*			trans	-63.8	103.8	163.5	22.3	0	0	0	0	107.7	P17 T21	P17-T19 VanDerWaalsContact C-N 3.3Å; P17-T19 PolarHBondContact O-N 3.17Å; T19-T21 VanDerWaalsContact C-N 3.31Å; T19-T21 PolarHBondContact O-N 2.9Å
20	K	43.8	Very low	42.9	Very low	199 Å²	199	153.9 Å²	153.9	87%	0.865	79%	0.788	S	S	*	*			trans	-64.7	95.1	168.3	-72	-176.3	179.1	178.7	0	107.6	K18 K22	K18-K20 PolarHBondContact O-N 2.91Å; K20-K22 VanDerWaalsContact C-N 3.28Å; K20-K22 PolarHBondContact O-N 3.18Å
21	T	46.6	Very low	43.3	Very low	125 Å²	125	153.6 Å²	153.6	77%	0.767	78%	0.781	S	S	*	*			trans	-64.5	95.8	161.2	38.6	0	0	0	0	106.8	T19 K23	T19-T21 VanDerWaalsContact C-N 3.31Å; T19-T21 PolarHBondContact O-N 2.9Å; T21-K23 VanDerWaalsContact C-N 3.35Å; T21-K23 PolarHBondContact O-N 2.73Å
22	K	43.3	Very low	44.1	Very low	190 Å²	190	154 Å²	154	83%	0.826	77%	0.77	S	S	*	*			trans	-57.9	107	162.2	-80	-173.1	176.4	-178	0	105.4	K20 K24	K20-K22 VanDerWaalsContact C-N 3.28Å; K20-K22 PolarHBondContact O-N 3.18Å; K22-K24 VanDerWaalsContact C-N 3.28Å; K22-K24 PolarHBondContact O-N 3.34Å
23	K	43.7	Very low	45.5	Very low	193 Å²	193	148.1 Å²	148.1	84%	0.839	74%	0.744	S	S	*	*			trans	-56.3	101.2	165.4	-81.6	-175.5	176.2	-179.3	0	105.7	T21 H25	T21-K23 VanDerWaalsContact C-N 3.35Å; T21-K23 PolarHBondContact O-N 2.73Å; K23-H25 PolarHBondContact O-N 3.36Å
24	K	47.2	Very low	47.2	Very low	163 Å²	163	143.9 Å²	143.9	71%	0.709	72%	0.716	S	S	*	*			trans	-64.1	110.5	168.7	-69.6	-172.3	178.5	-176.6	0	104.8	K22 F26	K22-K24 VanDerWaalsContact C-N 3.28Å; K22-K24 PolarHBondContact O-N 3.34Å; K24-F26 HydrophobicContact CB-CD2 4.08Å; K24-F26 HydrophobicContact CB-CE2 3.89Å; K24-F26 HydrophobicContact CD-CE2 4.4Å; K24-F26 HydrophobicContact CD-CZ 4.47Å; K24-F26 PolarHBondContact O-N 3.4Å
25	H	39.5	Very low	48.8	Very low	183 Å²	183	141.8 Å²	141.8	85%	0.847	70%	0.698	S	S	*	*			trans	-64.1	94.6	161.3	-96.8	-82.2	0	0	0	105.7	K23 V27	K23-H25 PolarHBondContact O-N 3.36Å; H25-V27 PolarHBondContact O-N 3.16Å; H25-V27 VanDerWaalsContact O-N 3.16Å
26	F	48.7	Very low	50.5	Low	169 Å²	169	135.2 Å²	135.2	74%	0.741	67%	0.666	S	S	*	*			trans	-66.1	112.2	161	-78.4	-88.2	0	0	0	105.2	K24 Q28	K24-F26 HydrophobicContact CB-CD2 4.08Å; K24-F26 HydrophobicContact CB-CE2 3.89Å; K24-F26 HydrophobicContact CD-CE2 4.4Å; K24-F26 HydrophobicContact CD-CZ 4.47Å; K24-F26 PolarHBondContact O-N 3.4Å; F26-Q28 VanDerWaalsContact C-N 3.35Å; F26-Q28 PolarHBondContact O-N 3.33Å
27	V	43.8	Very low	52.1	Low	134 Å²	134	138 Å²	138	81%	0.812	68%	0.682	S	S	*	*			trans	-58.7	108.8	164	177.8	0	0	0	0	104.8	H25 Q29	H25-V27 PolarHBondContact O-N 3.16Å; H25-V27 VanDerWaalsContact O-N 3.16Å; V27-Q29 PolarHBondContact O-N 3.24Å
28	Q	42.5	Very low	54.3	Low	168 Å²	168	134.3 Å²	134.3	79%	0.785	66%	0.655	S	S	*	*			trans	-63.3	111.8	175.7	-151	173.7	11.9	0	0	105.7	F26 K30	F26-Q28 VanDerWaalsContact C-N 3.35Å; F26-Q28 PolarHBondContact O-N 3.33Å; Q28-K30 PolarHBondContact O-N 3.48Å
29	Q	41.1	Very low	56.7	Low	141 Å²	141	127.3 Å²	127.3	66%	0.659	63%	0.63	S	S	*	*			trans	-59.8	109.8	-179.7	-172.8	174.3	-3.4	0	0	107.4	V27 V31	V27-Q29 PolarHBondContact O-N 3.24Å; Q29-V31 PolarHBondContact O-N 3.04Å
30	K	43.3	Very low	58.8	Low	211 Å²	211	122.5 Å²	122.5	92%	0.917	60%	0.601	S	S	*	*	S	Bend	trans	-66.2	-17.6	-174.8	-74.4	-174.8	175.7	-177.9	0	112.7	Q28	Q28-K30 PolarHBondContact O-N 3.48Å
31	V	50.5	Low	61.1	Low	102 Å²	102	113.7 Å²	113.7	62%	0.618	56%	0.563	S	S	*	*	S	Bend	trans	-101.1	114.8	178.5	-169.7	0	0	0	0	109.1	Q29 V33	Q29-V31 PolarHBondContact O-N 3.04Å; V31-V33 VanDerWaalsContact C-N 3.34Å; V31-V33 HydrophobicContact CB-CG2 4.45Å; V31-V33 HydrophobicContact CG1-CG2 4.23Å; V31-V33 PolarHBondContact O-N 2.85Å
32	K	54.8	Low	63.3	Low	132 Å²	132	108 Å²	108	57%	0.574	53%	0.528	S	S	*	.			trans	-76.7	86.4	173.7	-64.9	179.9	-178.1	175.4	0	108.8	R35	K32-R35 HydrophobicContact CB-CB 4.1Å
33	V	66.8	Low	65.8	Low	54 Å²	54	98.9 Å²	98.9	33%	0.327	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	130.3	-177	-168.5	0	0	0	0	109.9	V31 R35	V31-V33 VanDerWaalsContact C-N 3.34Å; V31-V33 HydrophobicContact CB-CG2 4.45Å; V31-V33 HydrophobicContact CG1-CG2 4.23Å; V31-V33 PolarHBondContact O-N 2.85Å; V33-R35 VanDerWaalsContact C-N 3.3Å; V33-R35 PolarHBondContact O-N 2.99Å
34	F	76.8	Confident	68.3	Low	33 Å²	33	89.7 Å²	89.7	15%	0.145	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	29.2	178.1	-43.8	-47.1	0	0	0	116.1	S42 M45 W46 N49	F34-S42 VanDerWaalsContact O-CA 3.32Å; F34-S42 WeakPolarHBondContact O-CA 3.13Å; F34-S42 WeakPolarHBondContact O-CB 3.36Å; F34-S42 PolarHBondContact O-OG 3.39Å; F34-M45 HydrophobicContact CB-CB 4.17Å; F34-M45 HydrophobicContact CB-CE 4.44Å; F34-M45 HydrophobicContact CD1-CB 3.81Å; F34-M45 HydrophobicContact CG-CB 4.26Å; F34-W46 HydrophobicContact CB-CB 4.47Å; F34-W46 HydrophobicContact CD2-CB 4.05Å; F34-W46 HydrophobicContact CD2-CG 4.47Å; F34-W46 HydrophobicContact CG-CB 4.36Å; F34-N49 HydrophobicContact CE1-CB 4Å; F34-N49 HydrophobicContact CE2-CB 4.23Å; F34-N49 HydrophobicContact CZ-CB 3.57Å; F34-N49 VanDerWaalsContact CZ-CG 3.43Å
35	R	77.1	Confident	70.6	Confident	108 Å²	108	82 Å²	82	41%	0.408	42%	0.415	S	S	.	.			trans	-91.1	121.1	175.1	-172.3	-178	179.5	138.4	-2.1	111	K32 V33 E85 P123	K32-R35 HydrophobicContact CB-CB 4.1Å; V33-R35 VanDerWaalsContact C-N 3.3Å; V33-R35 PolarHBondContact O-N 2.99Å; R35-E85 PolarHBondContact NH1-O 2.94Å; R35-P123 WeakPolarHBondContact O-CG 3.29Å
36	A	75.6	Confident	73.2	Confident	18 Å²	18	75.7 Å²	75.7	15%	0.149	38%	0.384	C	S	.	.			trans	-121.4	163.3	167.4	0	0	0	0	0	110.7	D38 L41 S42 M45 P123	A36-D38 PolarHBondContact O-N 3.2Å; A36-L41 HydrophobicContact CB-CB 3.72Å; A36-S42 PolarHBondContact N-OG 2.76Å; A36-S42 PolarHBondContact O-OG 3.18Å; A36-M45 HydrophobicContact CB-CE 3.93Å; A36-P123 HydrophobicContact CB-CB 4.01Å; A36-P123 HydrophobicContact CB-CG 4.14Å
37	S	80.2	Confident	75.5	Confident	132 Å²	132	67.6 Å²	67.6	92%	0.923	35%	0.349	S	S	*	.	S	Bend	trans	-63.5	-32	170	48.7	0	0	0	0	111.7
38	D	87.6	Confident	78.1	Confident	38 Å²	38	61.2 Å²	61.2	20%	0.203	31%	0.31	C	S	.	.	S	Bend	trans	-93	119.8	175.8	-173.4	-18.5	0	0	0	110.8	A36 V40 L41 S42	A36-D38 PolarHBondContact O-N 3.2Å; D38-V40 PolarHBondContact O-N 3.01Å; D38-V40 VanDerWaalsContact OD1-CB 3.32Å; D38-V40 WeakPolarHBondContact OD1-CB 3.06Å; D38-V40 PolarHBondContact OD1-N 3.16Å; D38-L41 HydrophobicContact CB-CB 4.24Å; D38-L41 HydrophobicContact CB-CD1 3.97Å; D38-L41 HydrophobicContact CB-CG 3.84Å; D38-L41 PolarHBondContact O-N 2.85Å; D38-L41 VanDerWaalsContact O-N 3.17Å; D38-S42 PolarHBondContact O-N 3.39Å; D38-S42 VanDerWaalsContact O-N 3.16Å; D38-S42 PolarHBondContact O-OG 3.09Å
39	P	90.8	Very high	80.6	Confident	54 Å²	54	55.1 Å²	55.1	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-52.5	-36.4	173.2	-30.5	38.6	0	0	0	114.5	L41 S42 V43 P88 V188	P39-L41 VanDerWaalsContact C-N 3.35Å; P39-S42 PolarHBondContact O-N 2.83Å; P39-V43 WeakPolarHBondContact O-CG2 3.34Å; P39-V43 PolarHBondContact O-N 2.81Å; P39-P88 HydrophobicContact CB-CG 3.96Å; P39-V188 HydrophobicContact CB-CG1 3.85Å
40	V	91.9	Very high	83.2	Confident	25 Å²	25	50.9 Å²	50.9	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-42.5	179.4	176.4	0	0	0	0	110.2	D38 V43 F44 V186 V188 T193	D38-V40 PolarHBondContact O-N 3.01Å; D38-V40 VanDerWaalsContact OD1-CB 3.32Å; D38-V40 WeakPolarHBondContact OD1-CB 3.06Å; D38-V40 PolarHBondContact OD1-N 3.16Å; V40-V43 PolarHBondContact O-N 2.93Å; V40-F44 VanDerWaalsContact O-CB 3.29Å; V40-F44 WeakPolarHBondContact O-CB 3.34Å; V40-F44 PolarHBondContact O-N 2.72Å; V40-V186 HydrophobicContact CB-CG1 4.45Å; V40-V186 HydrophobicContact CG1-CB 4.13Å; V40-V186 HydrophobicContact CG1-CG1 3.83Å; V40-V188 HydrophobicContact CG2-CG2 4.3Å; V40-T193 HydrophobicContact CG1-CG2 4.25Å
41	L	92.4	Very high	85.7	Confident	15 Å²	15	41.1 Å²	41.1	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-68.3	-36.9	178	-60.2	-175.4	0	0	0	112.4	A36 D38 P39 F44 M45 L137	A36-L41 HydrophobicContact CB-CB 3.72Å; D38-L41 HydrophobicContact CB-CB 4.24Å; D38-L41 HydrophobicContact CB-CD1 3.97Å; D38-L41 HydrophobicContact CB-CG 3.84Å; D38-L41 PolarHBondContact O-N 2.85Å; D38-L41 VanDerWaalsContact O-N 3.17Å; P39-L41 VanDerWaalsContact C-N 3.35Å; L41-F44 PolarHBondContact O-N 3Å; L41-M45 WeakPolarHBondContact O-CG 3.36Å; L41-M45 PolarHBondContact O-N 3.29Å; L41-L137 HydrophobicContact CD1-CD1 4.29Å; L41-L137 HydrophobicContact CD2-CD1 3.31Å; L41-L137 HydrophobicContact CG-CD1 4.42Å
42	S	92.6	Very high	87.8	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-45.4	175.6	-53.7	0	0	0	0	111.1	F34 A36 D38 P39 W46	F34-S42 VanDerWaalsContact O-CA 3.32Å; F34-S42 WeakPolarHBondContact O-CA 3.13Å; F34-S42 WeakPolarHBondContact O-CB 3.36Å; F34-S42 PolarHBondContact O-OG 3.39Å; A36-S42 PolarHBondContact N-OG 2.76Å; A36-S42 PolarHBondContact O-OG 3.18Å; D38-S42 PolarHBondContact O-N 3.39Å; D38-S42 VanDerWaalsContact O-N 3.16Å; D38-S42 PolarHBondContact O-OG 3.09Å; P39-S42 PolarHBondContact O-N 2.83Å; S42-W46 WeakPolarHBondContact O-CB 3.31Å; S42-W46 PolarHBondContact O-N 3.36Å; S42-W46 VanDerWaalsContact O-N 3.1Å
43	V	94.8	Very high	89.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-37.9	176.1	175.3	0	0	0	0	112.1	P39 V40 W46 G47 L87 P88 F91 V186 V188	P39-V43 WeakPolarHBondContact O-CG2 3.34Å; P39-V43 PolarHBondContact O-N 2.81Å; V40-V43 PolarHBondContact O-N 2.93Å; V43-W46 PolarHBondContact O-N 3.43Å; V43-G47 PolarHBondContact O-N 3.04Å; V43-L87 HydrophobicContact CG2-CD2 4.5Å; V43-P88 HydrophobicContact CG2-CG 3.81Å; V43-F91 HydrophobicContact CB-CD2 4.24Å; V43-F91 HydrophobicContact CB-CG 4.44Å; V43-F91 HydrophobicContact CG1-CB 4.14Å; V43-F91 HydrophobicContact CG1-CD2 3.35Å; V43-F91 HydrophobicContact CG1-CE2 3.9Å; V43-F91 HydrophobicContact CG1-CG 3.93Å; V43-F91 HydrophobicContact CG2-CB 3.73Å; V43-F91 HydrophobicContact CG2-CD1 3.97Å; V43-F91 HydrophobicContact CG2-CD2 3.84Å; V43-F91 HydrophobicContact CG2-CE2 4.39Å; V43-F91 HydrophobicContact CG2-CG 3.58Å; V43-V186 HydrophobicContact CB-CG1 3.79Å; V43-V186 HydrophobicContact CG1-CG1 3.63Å; V43-V188 HydrophobicContact CB-CG2 4.25Å; V43-V188 HydrophobicContact CG2-CG2 3.83Å
44	F	95.9	Very high	91	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-52.6	175.3	171.9	-108.2	0	0	0	111.3	V40 L41 W46 G47 V48 L119 P124 I146 Y184 V186 L195 V197	V40-F44 VanDerWaalsContact O-CB 3.29Å; V40-F44 WeakPolarHBondContact O-CB 3.34Å; V40-F44 PolarHBondContact O-N 2.72Å; L41-F44 PolarHBondContact O-N 3Å; F44-W46 PolarHBondContact O-N 3.13Å; F44-G47 PolarHBondContact O-N 2.86Å; F44-V48 HydrophobicContact CD2-CG2 4.04Å; F44-V48 HydrophobicContact CE1-CG2 4.34Å; F44-V48 HydrophobicContact CE2-CG2 3.61Å; F44-V48 HydrophobicContact CZ-CG2 3.78Å; F44-V48 WeakPolarHBondContact O-CG2 3.31Å; F44-V48 PolarHBondContact O-N 2.91Å; F44-L119 HydrophobicContact CE1-CD2 4.23Å; F44-L119 HydrophobicContact CZ-CD1 4.27Å; F44-L119 HydrophobicContact CZ-CD2 4.28Å; F44-P124 HydrophobicContact CE1-CG 4.39Å; F44-I146 HydrophobicContact CE1-CG1 4.11Å; F44-I146 HydrophobicContact CZ-CG1 4.03Å; F44-I146 HydrophobicContact CZ-CG2 4.19Å; F44-Y184 HydrophobicContact CD2-CD2 4.47Å; F44-Y184 AromaticContact CE2-CD2 3.68Å; F44-Y184 HydrophobicContact CE2-CD2 3.68Å; F44-Y184 HydrophobicContact CE2-CE2 4Å; F44-Y184 HydrophobicContact CE2-CG 4.27Å; F44-V186 HydrophobicContact CB-CG2 4.1Å; F44-V186 HydrophobicContact CD2-CG2 4.45Å; F44-L195 HydrophobicContact CB-CD1 4.19Å; F44-L195 HydrophobicContact CD2-CD1 3.51Å; F44-L195 HydrophobicContact CE2-CD1 4.08Å; F44-L195 HydrophobicContact CG-CD1 3.91Å; F44-V197 HydrophobicContact CE2-CG2 4.21Å; F44-V197 HydrophobicContact CZ-CG2 3.8Å
45	M	95.8	Very high	91.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-45.1	178.6	-69.4	-174	-72.7	0	0	111.9	F34 A36 L41 G47 N49 L119 T120 P123	F34-M45 HydrophobicContact CB-CB 4.17Å; F34-M45 HydrophobicContact CB-CE 4.44Å; F34-M45 HydrophobicContact CD1-CB 3.81Å; F34-M45 HydrophobicContact CG-CB 4.26Å; A36-M45 HydrophobicContact CB-CE 3.93Å; L41-M45 WeakPolarHBondContact O-CG 3.36Å; L41-M45 PolarHBondContact O-N 3.29Å; M45-G47 VanDerWaalsContact C-N 3.32Å; M45-G47 PolarHBondContact O-N 3.18Å; M45-N49 WeakPolarHBondContact O-CB 3.38Å; M45-N49 PolarHBondContact O-N 3.25Å; M45-L119 WeakPolarHBondContact CG-O 3.4Å; M45-T120 HydrophobicContact CB-CG2 4.36Å; M45-T120 VanDerWaalsContact O-CG2 3.27Å; M45-T120 WeakPolarHBondContact O-CG2 3.44Å; M45-P123 HydrophobicContact CE-CB 4.25Å; M45-P123 HydrophobicContact CE-CG 4.08Å; M45-P123 HydrophobicContact SD-CB 4.37Å; M45-P123 HydrophobicContact SD-CG 4.36Å
46	W	95.4	Very high	92.4	Very high	50 Å²	50	32.1 Å²	32.1	19%	0.189	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-44.3	175.7	175.8	88.1	0	0	0	111.9	F34 S42 V43 F44 N49 H50 I75 V77 L87 F91 F93	F34-W46 HydrophobicContact CB-CB 4.47Å; F34-W46 HydrophobicContact CD2-CB 4.05Å; F34-W46 HydrophobicContact CD2-CG 4.47Å; F34-W46 HydrophobicContact CG-CB 4.36Å; S42-W46 WeakPolarHBondContact O-CB 3.31Å; S42-W46 PolarHBondContact O-N 3.36Å; S42-W46 VanDerWaalsContact O-N 3.1Å; V43-W46 PolarHBondContact O-N 3.43Å; F44-W46 PolarHBondContact O-N 3.13Å; W46-N49 PolarHBondContact O-N 2.9Å; W46-H50 HydrophobicContact CH2-CB 4.48Å; W46-H50 WeakPolarHBondContact O-CB 3.36Å; W46-H50 PolarHBondContact O-N 2.78Å; W46-I75 HydrophobicContact CH2-CG2 3.87Å; W46-I75 HydrophobicContact CZ3-CG2 4.32Å; W46-V77 HydrophobicContact CH2-CG2 3.6Å; W46-V77 HydrophobicContact CZ2-CG2 4.02Å; W46-V77 HydrophobicContact CZ3-CG2 4.16Å; W46-L87 HydrophobicContact CB-CD1 4.35Å; W46-L87 HydrophobicContact CB-CD2 4Å; W46-L87 HydrophobicContact CG-CD1 3.92Å; W46-L87 HydrophobicContact CG-CD2 4.4Å; W46-F91 HydrophobicContact CD2-CE2 4.04Å; W46-F91 AromaticContact CD2-CZ 3.97Å; W46-F91 HydrophobicContact CD2-CZ 3.97Å; W46-F91 AromaticContact CE3-CE2 3.48Å; W46-F91 HydrophobicContact CE3-CE2 3.48Å; W46-F91 VanDerWaalsContact CE3-CE2 3.48Å; W46-F91 AromaticContact CE3-CZ 3.9Å; W46-F91 HydrophobicContact CE3-CZ 3.9Å; W46-F91 HydrophobicContact CH2-CE2 4.17Å; W46-F91 HydrophobicContact CH2-CZ 4.42Å; W46-F91 HydrophobicContact CZ2-CZ 4.46Å; W46-F91 AromaticContact CZ3-CE2 3.58Å; W46-F91 HydrophobicContact CZ3-CE2 3.58Å; W46-F91 HydrophobicContact CZ3-CZ 4.16Å; W46-F93 HydrophobicContact CZ3-CB 4.37Å
47	G	96.6	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69	-42.9	-176.6	0	0	0	0	0	112.9	V43 F44 M45 H50 S51 F93	V43-G47 PolarHBondContact O-N 3.04Å; F44-G47 PolarHBondContact O-N 2.86Å; M45-G47 VanDerWaalsContact C-N 3.32Å; M45-G47 PolarHBondContact O-N 3.18Å; G47-H50 PolarHBondContact O-N 2.91Å; G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.42Å; G47-S51 PolarHBondContact O-N 2.96Å; G47-F93 VanDerWaalsContact C-CE1 3.48Å; G47-F93 WeakPolarHBondContact O-CE1 3.37Å
48	V	97.3	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-49	172	170.6	0	0	0	0	110	F44 H50 S51 I52 F93 Y115 L119 T120 Y184	F44-V48 HydrophobicContact CD2-CG2 4.04Å; F44-V48 HydrophobicContact CE1-CG2 4.34Å; F44-V48 HydrophobicContact CE2-CG2 3.61Å; F44-V48 HydrophobicContact CZ-CG2 3.78Å; F44-V48 WeakPolarHBondContact O-CG2 3.31Å; F44-V48 PolarHBondContact O-N 2.91Å; V48-H50 VanDerWaalsContact C-N 3.31Å; V48-H50 PolarHBondContact O-N 3.31Å; V48-S51 PolarHBondContact O-N 3Å; V48-I52 HydrophobicContact CG1-CG1 4.31Å; V48-I52 WeakPolarHBondContact O-CG1 3.13Å; V48-I52 PolarHBondContact O-N 2.92Å; V48-F93 HydrophobicContact CG2-CZ 4.48Å; V48-Y115 HydrophobicContact CG1-CE1 4.09Å; V48-L119 HydrophobicContact CG1-CB 4.19Å; V48-L119 HydrophobicContact CG1-CD1 3.88Å; V48-L119 HydrophobicContact CG2-CD1 4.3Å; V48-T120 HydrophobicContact CB-CG2 4.06Å; V48-T120 HydrophobicContact CG1-CG2 3.93Å; V48-Y184 HydrophobicContact CG2-CE1 4.32Å; V48-Y184 HydrophobicContact CG2-CE2 4.3Å
49	N	95.8	Very high	94	Very high	40 Å²	40	39.2 Å²	39.2	21%	0.214	21%	0.212	C	C	.	.	H	α-helix	trans	-56.2	-46.7	178.1	175.8	81.8	0	0	0	111.8	F34 M45 W46 N53 Q116 T120	F34-N49 HydrophobicContact CE1-CB 4Å; F34-N49 HydrophobicContact CE2-CB 4.23Å; F34-N49 HydrophobicContact CZ-CB 3.57Å; F34-N49 VanDerWaalsContact CZ-CG 3.43Å; M45-N49 WeakPolarHBondContact O-CB 3.38Å; M45-N49 PolarHBondContact O-N 3.25Å; W46-N49 PolarHBondContact O-N 2.9Å; N49-N53 PolarHBondContact ND2-ND2 3.37Å; N49-N53 WeakPolarHBondContact O-CB 3.45Å; N49-N53 PolarHBondContact O-N 2.9Å; N49-N53 PolarHBondContact O-ND2 3.23Å; N49-Q116 PolarHBondContact O-NE2 2.99Å; N49-Q116 PolarHBondContact OD1-NE2 3.19Å; N49-T120 HydrophobicContact CB-CG2 4.15Å
50	H	95.1	Very high	94	Very high	52 Å²	52	41.3 Å²	41.3	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-46.9	179.2	177.6	80.9	0	0	0	112.6	W46 G47 V48 I52 N53 D54 I75	W46-H50 HydrophobicContact CH2-CB 4.48Å; W46-H50 WeakPolarHBondContact O-CB 3.36Å; W46-H50 PolarHBondContact O-N 2.78Å; G47-H50 PolarHBondContact O-N 2.91Å; V48-H50 VanDerWaalsContact C-N 3.31Å; V48-H50 PolarHBondContact O-N 3.31Å; H50-I52 PolarHBondContact O-N 2.97Å; H50-N53 PolarHBondContact O-N 3.16Å; H50-D54 IonicContact CD2-OD2 3.79Å; H50-D54 IonicContact CE1-OD1 3.82Å; H50-D54 IonicContact CE1-OD2 3.19Å; H50-D54 PolarHBondContact CE1-OD2 3.48Å; H50-D54 IonicContact NE2-OD2 2.82Å; H50-D54 PolarHBondContact NE2-OD2 3.21Å; H50-D54 VanDerWaalsContact NE2-OD2 3.13Å; H50-D54 PolarHBondContact O-N 3.47Å; H50-I75 WeakPolarHBondContact CD2-CD1 3.47Å; H50-I75 VanDerWaalsContact NE2-CD1 3.32Å; H50-I75 WeakPolarHBondContact NE2-CD1 3.41Å
51	S	96.1	Very high	93.9	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-49.1	178.7	151.1	0	0	0	0	112.1	G47 V48 N53 D54 L55 E95	G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.42Å; G47-S51 PolarHBondContact O-N 2.96Å; V48-S51 PolarHBondContact O-N 3Å; S51-N53 PolarHBondContact O-N 3.37Å; S51-D54 PolarHBondContact O-N 2.93Å; S51-L55 VanDerWaalsContact O-CB 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.25Å; S51-E95 WeakPolarHBondContact CB-OE2 3.34Å; S51-E95 PolarHBondContact OG-OE1 3.06Å; S51-E95 PolarHBondContact OG-OE2 3.01Å
52	I	95.3	Very high	93.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-42.1	-179.7	-62.5	-46.5	0	0	0	111.5	V48 H50 D54 L55 N56 D112 Y115 Q116	V48-I52 HydrophobicContact CG1-CG1 4.31Å; V48-I52 WeakPolarHBondContact O-CG1 3.13Å; V48-I52 PolarHBondContact O-N 2.92Å; H50-I52 PolarHBondContact O-N 2.97Å; I52-D54 PolarHBondContact O-N 3.49Å; I52-L55 PolarHBondContact O-N 3.44Å; I52-N56 WeakPolarHBondContact O-CB 3.31Å; I52-N56 VanDerWaalsContact O-CG 3.24Å; I52-N56 PolarHBondContact O-N 3.39Å; I52-N56 PolarHBondContact O-ND2 2.92Å; I52-D112 HydrophobicContact CG2-CB 4.08Å; I52-Y115 HydrophobicContact CD1-CD1 4.04Å; I52-Y115 HydrophobicContact CD1-CE1 4.21Å; I52-Y115 HydrophobicContact CG1-CD1 4.18Å; I52-Q116 HydrophobicContact CB-CB 4.3Å; I52-Q116 HydrophobicContact CB-CG 4.29Å; I52-Q116 HydrophobicContact CG1-CB 4.24Å; I52-Q116 HydrophobicContact CG2-CB 4.1Å; I52-Q116 HydrophobicContact CG2-CG 4.42Å
53	N	94.8	Very high	93.9	Very high	65 Å²	65	55.3 Å²	55.3	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-41.6	178.4	-72.9	-31.7	0	0	0	112.2	N49 H50 S51 Q116	N49-N53 PolarHBondContact ND2-ND2 3.37Å; N49-N53 WeakPolarHBondContact O-CB 3.45Å; N49-N53 PolarHBondContact O-N 2.9Å; N49-N53 PolarHBondContact O-ND2 3.23Å; H50-N53 PolarHBondContact O-N 3.16Å; S51-N53 PolarHBondContact O-N 3.37Å; N53-Q116 VanDerWaalsContact CG-NE2 3.3Å; N53-Q116 PolarHBondContact ND2-NE2 3.27Å; N53-Q116 PolarHBondContact OD1-NE2 3.13Å
54	D	93.8	Very high	94	Very high	80 Å²	80	57 Å²	57	43%	0.428	31%	0.311	S	S	.	.	H	α-helix	trans	-66.9	-43.3	176.1	-80.1	10.9	0	0	0	110.9	H50 S51 I52 N56 Q57	H50-D54 IonicContact CD2-OD2 3.79Å; H50-D54 IonicContact CE1-OD1 3.82Å; H50-D54 IonicContact CE1-OD2 3.19Å; H50-D54 PolarHBondContact CE1-OD2 3.48Å; H50-D54 IonicContact NE2-OD2 2.82Å; H50-D54 PolarHBondContact NE2-OD2 3.21Å; H50-D54 VanDerWaalsContact NE2-OD2 3.13Å; H50-D54 PolarHBondContact O-N 3.47Å; S51-D54 PolarHBondContact O-N 2.93Å; I52-D54 PolarHBondContact O-N 3.49Å; D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.01Å; D54-Q57 WeakPolarHBondContact O-CB 3.17Å; D54-Q57 PolarHBondContact O-N 3.39Å
55	L	92	Very high	94	Very high	11 Å²	11	61.7 Å²	61.7	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-32.1	-178.6	-166.3	61.2	0	0	0	112.5	S51 I52 Q57 V58 P98 R102	S51-L55 VanDerWaalsContact O-CB 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.25Å; I52-L55 PolarHBondContact O-N 3.44Å; L55-Q57 PolarHBondContact O-N 3.08Å; L55-V58 HydrophobicContact CD1-CB 4.41Å; L55-V58 WeakPolarHBondContact O-CB 3.43Å; L55-V58 PolarHBondContact O-N 2.87Å; L55-P98 HydrophobicContact CD1-CB 4.22Å; L55-P98 HydrophobicContact CD2-CB 4.36Å; L55-R102 HydrophobicContact CD2-CB 3.76Å; L55-R102 HydrophobicContact CD2-CG 4.23Å; L55-R102 PolarHBondContact O-NH1 2.71Å
56	N	91.4	Very high	94	Very high	84 Å²	84	66.3 Å²	66.3	45%	0.449	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.4	172.7	-76.7	-21	0	0	0	113.3	I52 D54	I52-N56 WeakPolarHBondContact O-CB 3.31Å; I52-N56 VanDerWaalsContact O-CG 3.24Å; I52-N56 PolarHBondContact O-N 3.39Å; I52-N56 PolarHBondContact O-ND2 2.92Å; D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.01Å
57	Q	92.6	Very high	94.1	Very high	162 Å²	162	69.6 Å²	69.6	76%	0.757	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.6	172.7	-53.6	-57.3	-30	0	0	112.7	D54 L55	D54-Q57 WeakPolarHBondContact O-CB 3.17Å; D54-Q57 PolarHBondContact O-N 3.39Å; L55-Q57 PolarHBondContact O-N 3.08Å
58	V	92.4	Very high	94.1	Very high	67 Å²	67	71 Å²	71	41%	0.406	40%	0.395	S	S	.	.	S	Bend	trans	-91.7	124.5	179.2	-176.3	0	0	0	0	109.2	L55 R102	L55-V58 HydrophobicContact CD1-CB 4.41Å; L55-V58 WeakPolarHBondContact O-CB 3.43Å; L55-V58 PolarHBondContact O-N 2.87Å; V58-R102 PolarHBondContact O-NH1 3.06Å; V58-R102 PolarHBondContact O-NH2 3.35Å
59	P	90.8	Very high	94.2	Very high	108 Å²	108	72.5 Å²	72.5	70%	0.701	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-52.6	144.8	177.1	-26.1	33.6	0	0	0	112.6	P61 R102	P59-P61 WeakPolarHBondContact O-CD 3.28Å; P59-R102 PolarHBondContact O-NH2 3.08Å
60	V	91.4	Very high	94.2	Very high	97 Å²	97	78 Å²	78	59%	0.588	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-73.1	118.7	175	-176.3	0	0	0	0	109
61	P	90.8	Very high	94.3	Very high	48 Å²	48	77.3 Å²	77.3	31%	0.312	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-69.8	144.2	179	30.1	-34.9	0	0	0	110.3	P59 M63 L64 R102	P59-P61 WeakPolarHBondContact O-CD 3.28Å; P61-M63 VanDerWaalsContact C-N 3.25Å; P61-M63 PolarHBondContact O-N 2.7Å; P61-L64 HydrophobicContact CG-CD2 4.3Å; P61-R102 VanDerWaalsContact CD-NH2 3.34Å
62	V	90.8	Very high	94.4	Very high	156 Å²	156	80.8 Å²	80.8	95%	0.945	45%	0.445	S	S	*	.	S	Bend	trans	-64.5	-34.2	177.4	179	0	0	0	0	111.5
63	M	92.8	Very high	94.5	Very high	134 Å²	134	83.8 Å²	83.8	66%	0.66	46%	0.463	S	S	*	.	S	Bend	trans	-144.6	148.8	175.2	56.6	170.3	40.4	0	0	110.3	P61	P61-M63 VanDerWaalsContact C-N 3.25Å; P61-M63 PolarHBondContact O-N 2.7Å
64	L	96.7	Very high	94.5	Very high	35 Å²	35	86.2 Å²	86.2	18%	0.183	47%	0.471	C	S	.	.			trans	-77.4	136.8	172.3	-61.8	175.1	0	0	0	110.1	P61 D68 F69 Q99 V100 N103 H165	P61-L64 HydrophobicContact CG-CD2 4.3Å; L64-D68 WeakPolarHBondContact CA-OD2 3.31Å; L64-D68 HydrophobicContact CD2-CB 4.36Å; L64-F69 HydrophobicContact CB-CE2 3.96Å; L64-F69 HydrophobicContact CB-CZ 4.38Å; L64-F69 HydrophobicContact CD1-CE2 4.38Å; L64-F69 HydrophobicContact CD1-CZ 4.02Å; L64-Q99 HydrophobicContact CD2-CB 3.94Å; L64-V100 HydrophobicContact CD1-CB 4.36Å; L64-V100 HydrophobicContact CD1-CG1 4.29Å; L64-V100 HydrophobicContact CD1-CG2 4.23Å; L64-N103 HydrophobicContact CD1-CB 4.17Å; L64-H165 VanDerWaalsContact CD1-NE2 3.34Å; L64-H165 WeakPolarHBondContact CD1-NE2 3.47Å
65	L	96.5	Very high	94.6	Very high	99 Å²	99	84 Å²	84	52%	0.518	46%	0.458	S	S	.	.			trans	-97.7	159	175.9	-61.5	178.7	0	0	0	110.6	D67 D68 F69	L65-D67 PolarHBondContact O-N 3.29Å; L65-D67 VanDerWaalsContact O-N 3.08Å; L65-D68 PolarHBondContact N-OD2 3.05Å; L65-D68 WeakPolarHBondContact O-CB 3.37Å; L65-D68 PolarHBondContact O-N 3.34Å; L65-F69 WeakPolarHBondContact O-CD2 3.43Å
66	P	96.3	Very high	94.7	Very high	99 Å²	99	89.9 Å²	89.9	64%	0.643	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.7	177.2	-28.2	36.2	0	0	0	114.4	D68 F69	P66-D68 VanDerWaalsContact C-N 3.33Å; P66-F69 PolarHBondContact O-N 2.83Å
67	D	96.8	Very high	94.6	Very high	119 Å²	119	87 Å²	87	64%	0.636	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-26.9	177.9	-71.2	-19.7	0	0	0	112.7	L65 F69 K70 A71	L65-D67 PolarHBondContact O-N 3.29Å; L65-D67 VanDerWaalsContact O-N 3.08Å; D67-F69 PolarHBondContact O-N 3.48Å; D67-K70 CarbonylContact O-C 3.58Å; D67-K70 PolarHBondContact O-N 3.3Å; D67-A71 WeakPolarHBondContact O-CB 3.32Å; D67-A71 PolarHBondContact O-N 3.3Å
68	D	97.9	Very high	94.3	Very high	30 Å²	30	82.8 Å²	82.8	16%	0.16	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.6	176.7	-65.7	-45.2	0	0	0	111.7	L64 L65 P66 K70 A71 C97 Q99 V100	L64-D68 WeakPolarHBondContact CA-OD2 3.31Å; L64-D68 HydrophobicContact CD2-CB 4.36Å; L65-D68 PolarHBondContact N-OD2 3.05Å; L65-D68 WeakPolarHBondContact O-CB 3.37Å; L65-D68 PolarHBondContact O-N 3.34Å; P66-D68 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 3.29Å; D68-A71 PolarHBondContact O-N 2.88Å; D68-C97 WeakPolarHBondContact O-CB 3.15Å; D68-Q99 HydrophobicContact CB-CB 4.29Å; D68-V100 HydrophobicContact CB-CG2 4Å; D68-V100 WeakPolarHBondContact O-CG2 3.44Å
69	F	97.9	Very high	93.8	Very high	31 Å²	31	81 Å²	81	14%	0.136	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.5	177.1	-65.8	-90.7	0	0	0	113.8	L64 L65 P66 D67 C97 V100 H158 L161 S162 H165	L64-F69 HydrophobicContact CB-CE2 3.96Å; L64-F69 HydrophobicContact CB-CZ 4.38Å; L64-F69 HydrophobicContact CD1-CE2 4.38Å; L64-F69 HydrophobicContact CD1-CZ 4.02Å; L65-F69 WeakPolarHBondContact O-CD2 3.43Å; P66-F69 PolarHBondContact O-N 2.83Å; D67-F69 PolarHBondContact O-N 3.48Å; F69-C97 PolarHBondContact O-SG 3.33Å; F69-V100 HydrophobicContact CD1-CG1 4Å; F69-V100 HydrophobicContact CD1-CG2 3.79Å; F69-V100 HydrophobicContact CD2-CG2 4.22Å; F69-V100 HydrophobicContact CE1-CB 4.37Å; F69-V100 HydrophobicContact CE1-CG1 3.53Å; F69-V100 HydrophobicContact CE1-CG2 3.86Å; F69-V100 HydrophobicContact CE2-CG2 4.3Å; F69-V100 HydrophobicContact CG-CG2 3.97Å; F69-V100 HydrophobicContact CZ-CG1 4.15Å; F69-V100 HydrophobicContact CZ-CG2 4.13Å; F69-H158 PolarHBondContact O-ND1 3.16Å; F69-L161 HydrophobicContact CD1-CB 4.32Å; F69-L161 HydrophobicContact CD1-CD2 4.08Å; F69-L161 HydrophobicContact CD1-CG 3.89Å; F69-L161 HydrophobicContact CE1-CG 4.26Å; F69-S162 VanDerWaalsContact CE1-CA 3.49Å; F69-H165 HydrophobicContact CE1-CB 3.91Å; F69-H165 HydrophobicContact CZ-CB 4.11Å
70	K	96.6	Very high	93	Very high	155 Å²	155	82.9 Å²	82.9	67%	0.674	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-12.5	175.1	-61.1	175.4	-175.3	170	0	112.3	D67 D68	D67-K70 CarbonylContact O-C 3.58Å; D67-K70 PolarHBondContact O-N 3.3Å; D68-K70 PolarHBondContact O-N 3.29Å
71	A	97.4	Very high	91.7	Very high	38 Å²	38	87 Å²	87	31%	0.314	45%	0.449	S	S	.	.			trans	-60.8	151.6	-179.8	0	0	0	0	0	111.6	D67 D68 C97	D67-A71 WeakPolarHBondContact O-CB 3.32Å; D67-A71 PolarHBondContact O-N 3.3Å; D68-A71 PolarHBondContact O-N 2.88Å; A71-C97 WeakPolarHBondContact O-CA 3.48Å; A71-C97 PolarHBondContact O-N 3.09Å
72	N	97.2	Very high	90.5	Very high	79 Å²	79	91.7 Å²	91.7	42%	0.422	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	149.9	173.1	61.2	100.4	0	0	0	110.7	K94 E95	N72-K94 HydrophobicContact CB-CG 4.42Å; N72-K94 VanDerWaalsContact CG-CE 3.41Å; N72-K94 VanDerWaalsContact OD1-CE 3.25Å; N72-K94 WeakPolarHBondContact OD1-CE 3.42Å; N72-E95 CarbonylContact C-O 3.6Å; N72-E95 WeakPolarHBondContact CA-O 3.39Å; N72-E95 VanDerWaalsContact CB-O 3.28Å; N72-E95 WeakPolarHBondContact CB-O 3.34Å
73	T	96.8	Very high	89.5	Confident	62 Å²	62	87.1 Å²	87.1	38%	0.38	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.7	173.5	-60	0	0	0	0	108	I75 K94 E95	T73-I75 HydrophobicContact CG2-CD1 4.41Å; T73-K94 CarbonylContact O-C 3.55Å; T73-K94 WeakPolarHBondContact O-CA 3.36Å; T73-E95 PolarHBondContact N-O 2.99Å; T73-E95 PolarHBondContact O-N 3.23Å
74	K	96.6	Very high	88.4	Confident	117 Å²	117	86.9 Å²	86.9	51%	0.509	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.2	-179.5	-176.1	-176.9	179.2	-175.3	0	110.7	F93 K94	K74-F93 CarbonylContact C-O 3.58Å; K74-F93 WeakPolarHBondContact CA-O 3.48Å; K74-K94 HydrophobicContact CB-CB 4.43Å; K74-K94 HydrophobicContact CB-CG 4.38Å; K74-K94 HydrophobicContact CG-CB 4.37Å
75	I	95.4	Very high	87.1	Confident	34 Å²	34	92 Å²	92	17%	0.174	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.6	178.7	-56.1	141.3	0	0	0	108.5	W46 H50 T73 V77 K92 F93	W46-I75 HydrophobicContact CH2-CG2 3.87Å; W46-I75 HydrophobicContact CZ3-CG2 4.32Å; H50-I75 WeakPolarHBondContact CD2-CD1 3.47Å; H50-I75 VanDerWaalsContact NE2-CD1 3.32Å; H50-I75 WeakPolarHBondContact NE2-CD1 3.41Å; T73-I75 HydrophobicContact CG2-CD1 4.41Å; I75-V77 HydrophobicContact CG2-CG2 4.05Å; I75-K92 CarbonylContact O-C 3.55Å; I75-K92 VanDerWaalsContact O-CA 3.31Å; I75-K92 WeakPolarHBondContact O-CA 3.43Å; I75-F93 HydrophobicContact CD1-CD1 4.37Å; I75-F93 PolarHBondContact N-O 3.1Å; I75-F93 PolarHBondContact O-N 2.92Å
76	K	93.8	Very high	86.2	Confident	134 Å²	134	88.7 Å²	88.7	58%	0.583	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.1	173.8	-177.3	-178.3	-179.8	-171.9	0	108	K92	K76-K92 HydrophobicContact CB-CG 4.38Å; K76-K92 HydrophobicContact CG-CG 4.08Å
77	V	90.3	Very high	85.6	Confident	23 Å²	23	84.6 Å²	84.6	14%	0.139	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.7	-179.5	-179.4	0	0	0	0	109.1	W46 I75 N79 H90 F91	W46-V77 HydrophobicContact CH2-CG2 3.6Å; W46-V77 HydrophobicContact CZ2-CG2 4.02Å; W46-V77 HydrophobicContact CZ3-CG2 4.16Å; I75-V77 HydrophobicContact CG2-CG2 4.05Å; V77-N79 VanDerWaalsContact CG1-OD1 3.31Å; V77-N79 WeakPolarHBondContact CG1-OD1 3.35Å; V77-H90 WeakPolarHBondContact O-CA 3.11Å; V77-F91 HydrophobicContact CB-CD1 4.09Å; V77-F91 HydrophobicContact CB-CD2 4.16Å; V77-F91 HydrophobicContact CB-CE1 3.64Å; V77-F91 HydrophobicContact CB-CE2 3.73Å; V77-F91 HydrophobicContact CB-CG 4.35Å; V77-F91 HydrophobicContact CB-CZ 3.46Å; V77-F91 VanDerWaalsContact CB-CZ 3.46Å; V77-F91 HydrophobicContact CG1-CD1 4.39Å; V77-F91 HydrophobicContact CG1-CE1 3.66Å; V77-F91 HydrophobicContact CG1-CE2 4.48Å; V77-F91 HydrophobicContact CG1-CZ 3.72Å; V77-F91 HydrophobicContact CG2-CD2 4.28Å; V77-F91 HydrophobicContact CG2-CE1 4.21Å; V77-F91 HydrophobicContact CG2-CE2 3.51Å; V77-F91 HydrophobicContact CG2-CZ 3.48Å; V77-F91 VanDerWaalsContact CG2-CZ 3.48Å; V77-F91 PolarHBondContact N-O 2.99Å; V77-F91 PolarHBondContact O-N 3.12Å; V77-F91 VanDerWaalsContact O-N 3.11Å
78	N	86.1	Confident	85	Confident	73 Å²	73	79.9 Å²	79.9	39%	0.39	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	97.5	174.4	-57.9	-58.5	0	0	0	108.7	H90	N78-H90 PolarHBondContact OD1-ND1 3.04Å
79	N	81.9	Confident	84.4	Confident	31 Å²	31	79.5 Å²	79.5	17%	0.166	39%	0.388	C	S	.	.			trans	-91.8	108.6	-178.1	-70.6	-24.8	0	0	0	110.7	V77 F81 G89	V77-N79 VanDerWaalsContact CG1-OD1 3.31Å; V77-N79 WeakPolarHBondContact CG1-OD1 3.35Å; N79-F81 PolarHBondContact O-N 2.74Å; N79-G89 PolarHBondContact N-O 3.17Å
80	H	73.9	Confident	84.1	Confident	146 Å²	146	83 Å²	83	68%	0.676	41%	0.405	S	S	*	.	S	Bend	trans	-89.6	100.7	171.9	-68	-88.7	0	0	0	110	F82	H80-F82 VanDerWaalsContact C-N 3.25Å; H80-F82 PolarHBondContact O-N 2.87Å
81	F	63.7	Low	84	Confident	185 Å²	185	76 Å²	76	81%	0.811	37%	0.374	S	S	*	.	S	Bend	trans	59.7	24.5	178.4	-60.4	-83.2	0	0	0	116	N79	N79-F81 PolarHBondContact O-N 2.74Å
82	F	65.6	Low	83.9	Confident	146 Å²	146	77.1 Å²	77.1	64%	0.64	37%	0.372	S	S	*	.	S	Bend	trans	-119.7	137.4	177.9	-177	-103.8	0	0	0	111.1	H80 K84	H80-F82 VanDerWaalsContact C-N 3.25Å; H80-F82 PolarHBondContact O-N 2.87Å; F82-K84 PolarHBondContact O-N 2.81Å
83	N	70.4	Confident	83.9	Confident	60 Å²	60	73.5 Å²	73.5	32%	0.321	35%	0.352	S	S	.	.	S	Bend	trans	50.6	28.8	174	-159.6	26.1	0	0	0	116.7	E85 N86 L87	N83-E85 PolarHBondContact O-N 2.92Å; N83-E85 VanDerWaalsContact O-N 3.09Å; N83-N86 PolarHBondContact O-N 3Å; N83-N86 PolarHBondContact OD1-ND2 3.42Å; N83-L87 PolarHBondContact O-N 3.07Å; N83-L87 VanDerWaalsContact O-N 3.17Å
84	K	68.3	Low	84	Confident	129 Å²	129	72.1 Å²	72.1	56%	0.561	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.2	-179.5	-72.3	-170.6	172.7	-175.4	0	114.1	F82	F82-K84 PolarHBondContact O-N 2.81Å
85	E	70.9	Confident	84.1	Confident	143 Å²	143	66.8 Å²	66.8	67%	0.668	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.2	-178.5	-61.2	-174.3	-171.2	0	0	113.6	R35 N83	R35-E85 PolarHBondContact NH1-O 2.94Å; N83-E85 PolarHBondContact O-N 2.92Å; N83-E85 VanDerWaalsContact O-N 3.09Å
86	N	75.9	Confident	84.3	Confident	29 Å²	29	65.9 Å²	65.9	16%	0.155	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-33.6	-175.4	-59.2	-45.5	0	0	0	113.1	N83	N83-N86 PolarHBondContact O-N 3Å; N83-N86 PolarHBondContact OD1-ND2 3.42Å
87	L	84.4	Confident	84.5	Confident	12 Å²	12	59.5 Å²	59.5	6%	0.063	29%	0.285	C	S	.	.	S	Bend	trans	-127.7	151.3	-178.1	-69.9	171.7	0	0	0	111.8	V43 W46 N83 F91	V43-L87 HydrophobicContact CG2-CD2 4.5Å; W46-L87 HydrophobicContact CB-CD1 4.35Å; W46-L87 HydrophobicContact CB-CD2 4Å; W46-L87 HydrophobicContact CG-CD1 3.92Å; W46-L87 HydrophobicContact CG-CD2 4.4Å; N83-L87 PolarHBondContact O-N 3.07Å; N83-L87 VanDerWaalsContact O-N 3.17Å; L87-F91 HydrophobicContact CB-CE1 4.14Å; L87-F91 HydrophobicContact CD1-CE1 4.31Å; L87-F91 HydrophobicContact CD1-CZ 4.26Å
88	P	84.8	Confident	84.9	Confident	21 Å²	21	58.9 Å²	58.9	14%	0.136	28%	0.281	C	S	.	.			trans	-57.2	151.2	172	-24.5	35.7	0	0	0	112.2	P39 V43 H90 F91 V188	P39-P88 HydrophobicContact CB-CG 3.96Å; V43-P88 HydrophobicContact CG2-CG 3.81Å; P88-H90 VanDerWaalsContact C-N 3.26Å; P88-H90 PolarHBondContact O-N 2.95Å; P88-F91 HydrophobicContact CB-CD1 4.32Å; P88-F91 WeakPolarHBondContact O-CD1 3.29Å; P88-V188 HydrophobicContact CB-CG1 4.2Å; P88-V188 HydrophobicContact CG-CG1 3.92Å; P88-V188 HydrophobicContact CG-CG2 4.48Å
89	G	85.3	Confident	85.4	Confident	22 Å²	22	56.6 Å²	56.6	23%	0.227	27%	0.268	C	S	.	.	S	Bend	trans	-63.4	-32.5	177	0	0	0	0	0	112.9	N79	N79-G89 PolarHBondContact N-O 3.17Å
90	H	90.2	Very high	86.2	Confident	105 Å²	105	55.1 Å²	55.1	49%	0.486	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126	178.5	-59.8	-79	0	0	0	109.7	V77 N78 P88	V77-H90 WeakPolarHBondContact O-CA 3.11Å; N78-H90 PolarHBondContact OD1-ND1 3.04Å; P88-H90 VanDerWaalsContact C-N 3.26Å; P88-H90 PolarHBondContact O-N 2.95Å
91	F	94.3	Very high	87.4	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	165.6	175.8	64	-94.3	0	0	0	112.1	V43 W46 V77 L87 P88 G187 V188	V43-F91 HydrophobicContact CB-CD2 4.24Å; V43-F91 HydrophobicContact CB-CG 4.44Å; V43-F91 HydrophobicContact CG1-CB 4.14Å; V43-F91 HydrophobicContact CG1-CD2 3.35Å; V43-F91 HydrophobicContact CG1-CE2 3.9Å; V43-F91 HydrophobicContact CG1-CG 3.93Å; V43-F91 HydrophobicContact CG2-CB 3.73Å; V43-F91 HydrophobicContact CG2-CD1 3.97Å; V43-F91 HydrophobicContact CG2-CD2 3.84Å; V43-F91 HydrophobicContact CG2-CE2 4.39Å; V43-F91 HydrophobicContact CG2-CG 3.58Å; W46-F91 HydrophobicContact CD2-CE2 4.04Å; W46-F91 AromaticContact CD2-CZ 3.97Å; W46-F91 HydrophobicContact CD2-CZ 3.97Å; W46-F91 AromaticContact CE3-CE2 3.48Å; W46-F91 HydrophobicContact CE3-CE2 3.48Å; W46-F91 VanDerWaalsContact CE3-CE2 3.48Å; W46-F91 AromaticContact CE3-CZ 3.9Å; W46-F91 HydrophobicContact CE3-CZ 3.9Å; W46-F91 HydrophobicContact CH2-CE2 4.17Å; W46-F91 HydrophobicContact CH2-CZ 4.42Å; W46-F91 HydrophobicContact CZ2-CZ 4.46Å; W46-F91 AromaticContact CZ3-CE2 3.58Å; W46-F91 HydrophobicContact CZ3-CE2 3.58Å; W46-F91 HydrophobicContact CZ3-CZ 4.16Å; V77-F91 HydrophobicContact CB-CD1 4.09Å; V77-F91 HydrophobicContact CB-CD2 4.16Å; V77-F91 HydrophobicContact CB-CE1 3.64Å; V77-F91 HydrophobicContact CB-CE2 3.73Å; V77-F91 HydrophobicContact CB-CG 4.35Å; V77-F91 HydrophobicContact CB-CZ 3.46Å; V77-F91 VanDerWaalsContact CB-CZ 3.46Å; V77-F91 HydrophobicContact CG1-CD1 4.39Å; V77-F91 HydrophobicContact CG1-CE1 3.66Å; V77-F91 HydrophobicContact CG1-CE2 4.48Å; V77-F91 HydrophobicContact CG1-CZ 3.72Å; V77-F91 HydrophobicContact CG2-CD2 4.28Å; V77-F91 HydrophobicContact CG2-CE1 4.21Å; V77-F91 HydrophobicContact CG2-CE2 3.51Å; V77-F91 HydrophobicContact CG2-CZ 3.48Å; V77-F91 VanDerWaalsContact CG2-CZ 3.48Å; V77-F91 PolarHBondContact N-O 2.99Å; V77-F91 PolarHBondContact O-N 3.12Å; V77-F91 VanDerWaalsContact O-N 3.11Å; L87-F91 HydrophobicContact CB-CE1 4.14Å; L87-F91 HydrophobicContact CD1-CE1 4.31Å; L87-F91 HydrophobicContact CD1-CZ 4.26Å; P88-F91 HydrophobicContact CB-CD1 4.32Å; P88-F91 WeakPolarHBondContact O-CD1 3.29Å; F91-G187 CarbonylContact C-O 3.53Å; F91-G187 WeakPolarHBondContact CA-O 3.37Å; F91-G187 WeakPolarHBondContact CB-O 3.42Å; F91-V188 HydrophobicContact CB-CG2 4.41Å
92	K	96.4	Very high	89	Confident	63 Å²	63	40.2 Å²	40.2	27%	0.274	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.4	174.9	-61.2	169.7	-168.2	159.4	0	108.7	I75 K76 G187	I75-K92 CarbonylContact O-C 3.55Å; I75-K92 VanDerWaalsContact O-CA 3.31Å; I75-K92 WeakPolarHBondContact O-CA 3.43Å; K76-K92 HydrophobicContact CB-CG 4.38Å; K76-K92 HydrophobicContact CG-CG 4.08Å; K92-G187 PolarHBondContact N-O 3.05Å; K92-G187 PolarHBondContact O-N 2.77Å
93	F	97.9	Very high	90.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.8	168.8	-176.6	-97.7	0	0	0	108	W46 G47 V48 K74 I75 E95 Y184 R185 V186	W46-F93 HydrophobicContact CZ3-CB 4.37Å; G47-F93 VanDerWaalsContact C-CE1 3.48Å; G47-F93 WeakPolarHBondContact O-CE1 3.37Å; V48-F93 HydrophobicContact CG2-CZ 4.48Å; K74-F93 CarbonylContact C-O 3.58Å; K74-F93 WeakPolarHBondContact CA-O 3.48Å; I75-F93 HydrophobicContact CD1-CD1 4.37Å; I75-F93 PolarHBondContact N-O 3.1Å; I75-F93 PolarHBondContact O-N 2.92Å; F93-E95 HydrophobicContact CE1-CB 4.24Å; F93-Y184 HydrophobicContact CE1-CD1 4.05Å; F93-Y184 HydrophobicContact CE1-CE1 4.47Å; F93-Y184 HydrophobicContact CE2-CD1 4Å; F93-Y184 HydrophobicContact CE2-CG 4.32Å; F93-Y184 AromaticContact CZ-CD1 3.31Å; F93-Y184 HydrophobicContact CZ-CD1 3.31Å; F93-Y184 AromaticContact CZ-CE1 3.82Å; F93-Y184 HydrophobicContact CZ-CE1 3.82Å; F93-Y184 HydrophobicContact CZ-CG 4.06Å; F93-R185 CarbonylContact C-O 3.47Å; F93-V186 HydrophobicContact CD2-CG2 4.11Å; F93-V186 HydrophobicContact CE2-CG2 4.34Å
94	K	98.4	Very high	91.9	Very high	33 Å²	33	31.7 Å²	31.7	14%	0.143	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.9	173.7	178.2	-177.7	177.4	-175.3	0	109.1	N72 T73 K74 Y96 Y184 R185	N72-K94 HydrophobicContact CB-CG 4.42Å; N72-K94 VanDerWaalsContact CG-CE 3.41Å; N72-K94 VanDerWaalsContact OD1-CE 3.25Å; N72-K94 WeakPolarHBondContact OD1-CE 3.42Å; T73-K94 CarbonylContact O-C 3.55Å; T73-K94 WeakPolarHBondContact O-CA 3.36Å; K74-K94 HydrophobicContact CB-CB 4.43Å; K74-K94 HydrophobicContact CB-CG 4.38Å; K74-K94 HydrophobicContact CG-CB 4.37Å; K94-Y96 HydrophobicContact CD-CE1 3.95Å; K94-Y96 HydrophobicContact CD-CE2 4.33Å; K94-Y96 HydrophobicContact CG-CE2 4.48Å; K94-Y184 CarbonylContact O-C 3.54Å; K94-Y184 VanDerWaalsContact O-CA 3.26Å; K94-Y184 WeakPolarHBondContact O-CA 3.36Å; K94-R185 HydrophobicContact CB-CB 4.23Å; K94-R185 PolarHBondContact N-O 3.07Å; K94-R185 PolarHBondContact O-N 2.94Å
95	E	98.5	Very high	93.4	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.028	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	136.5	168.2	-177.8	-177	-165.8	0	0	109.2	S51 N72 T73 F93 P98 Y184	S51-E95 WeakPolarHBondContact CB-OE2 3.34Å; S51-E95 PolarHBondContact OG-OE1 3.06Å; S51-E95 PolarHBondContact OG-OE2 3.01Å; N72-E95 CarbonylContact C-O 3.6Å; N72-E95 WeakPolarHBondContact CA-O 3.39Å; N72-E95 VanDerWaalsContact CB-O 3.28Å; N72-E95 WeakPolarHBondContact CB-O 3.34Å; T73-E95 PolarHBondContact N-O 2.99Å; T73-E95 PolarHBondContact O-N 3.23Å; F93-E95 HydrophobicContact CE1-CB 4.24Å; E95-P98 HydrophobicContact CB-CG 4.44Å; E95-P98 HydrophobicContact CG-CB 4.34Å; E95-P98 HydrophobicContact CG-CG 3.97Å; E95-Y184 HydrophobicContact CB-CD1 4.05Å; E95-Y184 HydrophobicContact CB-CE1 4.2Å; E95-Y184 HydrophobicContact CG-CD1 4.02Å; E95-Y184 HydrophobicContact CG-CE1 3.77Å
96	Y	98.7	Very high	94.6	Very high	15 Å²	15	24.5 Å²	24.5	6%	0.059	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.2	175.6	-62.9	-90.2	0	0	0	110.1	K94 F101 V154 H158 M183 R185	K94-Y96 HydrophobicContact CD-CE1 3.95Å; K94-Y96 HydrophobicContact CD-CE2 4.33Å; K94-Y96 HydrophobicContact CG-CE2 4.48Å; Y96-F101 WeakPolarHBondContact O-CD2 3.44Å; Y96-F101 WeakPolarHBondContact O-CE2 3.32Å; Y96-V154 HydrophobicContact CE1-CG1 4.22Å; Y96-V154 HydrophobicContact CE2-CG1 4.38Å; Y96-H158 AromaticContact CD1-NE2 3.31Å; Y96-H158 VanDerWaalsContact CD1-NE2 3.31Å; Y96-H158 WeakPolarHBondContact CD1-NE2 3.45Å; Y96-H158 AromaticContact CG-NE2 3.98Å; Y96-M183 HydrophobicContact CD1-CE 4.32Å; Y96-M183 HydrophobicContact CD2-CB 4.49Å; Y96-M183 HydrophobicContact CD2-CE 4.07Å; Y96-M183 HydrophobicContact CD2-CG 4.01Å; Y96-M183 WeakPolarHBondContact CD2-O 3.36Å; Y96-M183 HydrophobicContact CG-CE 3.75Å; Y96-M183 PolarHBondContact N-O 2.71Å; Y96-R185 HydrophobicContact CE2-CB 3.84Å
97	C	98.4	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	45.7	53.6	175	-49.3	0	0	0	0	115.3	D68 F69 A71 Q99 V100 F101 H158 L161	D68-C97 WeakPolarHBondContact O-CB 3.15Å; F69-C97 PolarHBondContact O-SG 3.33Å; A71-C97 WeakPolarHBondContact O-CA 3.48Å; A71-C97 PolarHBondContact O-N 3.09Å; C97-Q99 VanDerWaalsContact C-N 3.3Å; C97-Q99 PolarHBondContact O-N 3.09Å; C97-Q99 VanDerWaalsContact O-N 3.17Å; C97-V100 HydrophobicContact CB-CB 3.92Å; C97-V100 HydrophobicContact CB-CG2 3.88Å; C97-V100 WeakPolarHBondContact O-CB 3.43Å; C97-V100 PolarHBondContact O-N 3.49Å; C97-F101 HydrophobicContact CB-CD2 4.1Å; C97-F101 HydrophobicContact CB-CE2 4.09Å; C97-F101 WeakPolarHBondContact O-CD2 3.26Å; C97-F101 PolarHBondContact O-N 3Å; C97-F101 VanDerWaalsContact O-N 3.1Å; C97-H158 PolarHBondContact SG-CE1 2.86Å; C97-L161 HydrophobicContact CB-CD2 3.79Å; C97-L161 VanDerWaalsContact SG-CD2 3.54Å
98	P	98.1	Very high	96.2	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.058	13%	0.13	C	C	.	.	H	α-helix	trans	-54.9	-42.4	-170.1	-23.8	32.6	0	0	0	113.6	L55 E95 V100 F101 R102	L55-P98 HydrophobicContact CD1-CB 4.22Å; L55-P98 HydrophobicContact CD2-CB 4.36Å; E95-P98 HydrophobicContact CB-CG 4.44Å; E95-P98 HydrophobicContact CG-CB 4.34Å; E95-P98 HydrophobicContact CG-CG 3.97Å; P98-V100 PolarHBondContact O-N 2.63Å; P98-F101 PolarHBondContact O-N 2.99Å; P98-R102 WeakPolarHBondContact O-CB 3.49Å; P98-R102 PolarHBondContact O-N 2.6Å
99	Q	98	Very high	96.7	Very high	26 Å²	26	29.3 Å²	29.3	12%	0.121	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-38.1	179.3	-69.6	-61.5	-16.7	0	0	113.1	L64 D68 C97 R102 N103	L64-Q99 HydrophobicContact CD2-CB 3.94Å; D68-Q99 HydrophobicContact CB-CB 4.29Å; C97-Q99 VanDerWaalsContact C-N 3.3Å; C97-Q99 PolarHBondContact O-N 3.09Å; C97-Q99 VanDerWaalsContact O-N 3.17Å; Q99-R102 VanDerWaalsContact OE1-NE 3.15Å; Q99-N103 PolarHBondContact O-N 3.11Å
100	V	98.6	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-47.6	179	-175.2	0	0	0	0	109.9	L64 D68 F69 C97 P98 N103 L104 L161	L64-V100 HydrophobicContact CD1-CB 4.36Å; L64-V100 HydrophobicContact CD1-CG1 4.29Å; L64-V100 HydrophobicContact CD1-CG2 4.23Å; D68-V100 HydrophobicContact CB-CG2 4Å; D68-V100 WeakPolarHBondContact O-CG2 3.44Å; F69-V100 HydrophobicContact CD1-CG1 4Å; F69-V100 HydrophobicContact CD1-CG2 3.79Å; F69-V100 HydrophobicContact CD2-CG2 4.22Å; F69-V100 HydrophobicContact CE1-CB 4.37Å; F69-V100 HydrophobicContact CE1-CG1 3.53Å; F69-V100 HydrophobicContact CE1-CG2 3.86Å; F69-V100 HydrophobicContact CE2-CG2 4.3Å; F69-V100 HydrophobicContact CG-CG2 3.97Å; F69-V100 HydrophobicContact CZ-CG1 4.15Å; F69-V100 HydrophobicContact CZ-CG2 4.13Å; C97-V100 HydrophobicContact CB-CB 3.92Å; C97-V100 HydrophobicContact CB-CG2 3.88Å; C97-V100 WeakPolarHBondContact O-CB 3.43Å; C97-V100 PolarHBondContact O-N 3.49Å; P98-V100 PolarHBondContact O-N 2.63Å; V100-N103 PolarHBondContact O-N 3.47Å; V100-L104 HydrophobicContact CG1-CD1 4.25Å; V100-L104 WeakPolarHBondContact O-CG 3.24Å; V100-L104 PolarHBondContact O-N 3.34Å; V100-L161 HydrophobicContact CB-CD2 4.47Å; V100-L161 HydrophobicContact CG1-CD1 4.16Å; V100-L161 HydrophobicContact CG1-CD2 4.1Å; V100-L161 HydrophobicContact CG1-CG 4.01Å
101	F	98.6	Very high	97.4	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-30.6	179.2	-74	-69.2	0	0	0	113.2	Y96 C97 P98 L104 R105 L161 F180 M183	Y96-F101 WeakPolarHBondContact O-CD2 3.44Å; Y96-F101 WeakPolarHBondContact O-CE2 3.32Å; C97-F101 HydrophobicContact CB-CD2 4.1Å; C97-F101 HydrophobicContact CB-CE2 4.09Å; C97-F101 WeakPolarHBondContact O-CD2 3.26Å; C97-F101 PolarHBondContact O-N 3Å; C97-F101 VanDerWaalsContact O-N 3.1Å; P98-F101 PolarHBondContact O-N 2.99Å; F101-L104 HydrophobicContact CD1-CD1 3.86Å; F101-L104 HydrophobicContact CE1-CD1 4.16Å; F101-L104 PolarHBondContact O-N 3.46Å; F101-R105 WeakPolarHBondContact O-CG 3.2Å; F101-R105 PolarHBondContact O-N 2.88Å; F101-R105 PolarHBondContact O-NE 2.6Å; F101-L161 HydrophobicContact CE1-CD1 4.3Å; F101-L161 HydrophobicContact CE2-CD2 4.42Å; F101-L161 HydrophobicContact CZ-CD1 4.06Å; F101-F180 HydrophobicContact CE1-CB 4Å; F101-M183 HydrophobicContact CE2-CB 3.72Å; F101-M183 HydrophobicContact CZ-CB 3.7Å
102	R	98.2	Very high	97.4	Very high	17 Å²	17	29.1 Å²	29.1	6%	0.064	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-48.9	167.1	178.3	167.5	67.7	165.6	8.3	111.9	L55 V58 P59 P61 P98 Q99 L104 R105 E106	L55-R102 HydrophobicContact CD2-CB 3.76Å; L55-R102 HydrophobicContact CD2-CG 4.23Å; L55-R102 PolarHBondContact O-NH1 2.71Å; V58-R102 PolarHBondContact O-NH1 3.06Å; V58-R102 PolarHBondContact O-NH2 3.35Å; P59-R102 PolarHBondContact O-NH2 3.08Å; P61-R102 VanDerWaalsContact CD-NH2 3.34Å; P98-R102 WeakPolarHBondContact O-CB 3.49Å; P98-R102 PolarHBondContact O-N 2.6Å; Q99-R102 VanDerWaalsContact OE1-NE 3.15Å; R102-L104 VanDerWaalsContact C-N 3.31Å; R102-L104 PolarHBondContact O-N 3.02Å; R102-R105 PolarHBondContact O-N 3.4Å; R102-E106 PolarHBondContact O-N 3.38Å; R102-E106 VanDerWaalsContact O-N 3.1Å
103	N	98.3	Very high	97.2	Very high	27 Å²	27	29 Å²	29	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-30.9	178.3	-171.6	-114.7	0	0	0	112.8	L64 Q99 V100 E106 R107 H165	L64-N103 HydrophobicContact CD1-CB 4.17Å; Q99-N103 PolarHBondContact O-N 3.11Å; V100-N103 PolarHBondContact O-N 3.47Å; N103-E106 PolarHBondContact ND2-OE2 3.04Å; N103-R107 WeakPolarHBondContact O-CB 3.29Å; N103-R107 VanDerWaalsContact O-CG 3.25Å; N103-R107 WeakPolarHBondContact O-CG 3.16Å; N103-R107 PolarHBondContact O-N 3.4Å; N103-R107 PolarHBondContact OD1-NE 3.24Å; N103-H165 PolarHBondContact OD1-NE2 3.39Å
104	L	98.6	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-44.9	171.9	-74.7	169.6	0	0	0	111.7	V100 F101 R102 E106 R107 F108 L161 Y164 I168	V100-L104 HydrophobicContact CG1-CD1 4.25Å; V100-L104 WeakPolarHBondContact O-CG 3.24Å; V100-L104 PolarHBondContact O-N 3.34Å; F101-L104 HydrophobicContact CD1-CD1 3.86Å; F101-L104 HydrophobicContact CE1-CD1 4.16Å; F101-L104 PolarHBondContact O-N 3.46Å; R102-L104 VanDerWaalsContact C-N 3.31Å; R102-L104 PolarHBondContact O-N 3.02Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.48Å; L104-R107 PolarHBondContact O-N 3.28Å; L104-R107 VanDerWaalsContact O-N 3.16Å; L104-F108 HydrophobicContact CB-CD2 4.42Å; L104-F108 HydrophobicContact CB-CE2 4.19Å; L104-F108 HydrophobicContact CD2-CE2 4.2Å; L104-F108 WeakPolarHBondContact O-CD2 3.41Å; L104-F108 WeakPolarHBondContact O-CG 3.44Å; L104-F108 PolarHBondContact O-N 3.07Å; L104-L161 HydrophobicContact CD1-CD1 4.28Å; L104-Y164 HydrophobicContact CD1-CD1 4.22Å; L104-Y164 HydrophobicContact CD1-CE1 3.9Å; L104-Y164 HydrophobicContact CD2-CD1 4.19Å; L104-Y164 HydrophobicContact CD2-CE1 3.76Å; L104-Y164 HydrophobicContact CG-CE1 4.49Å; L104-I168 HydrophobicContact CD2-CB 4.19Å; L104-I168 HydrophobicContact CD2-CG1 4.13Å; L104-I168 HydrophobicContact CD2-CG2 4.12Å
105	R	98.3	Very high	96.9	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-56.3	-47.6	175.3	-76.2	-177.7	-69.1	146.3	7.5	111.5	F101 R102 R107 F108 G109 I110 D112 Y115 L181	F101-R105 WeakPolarHBondContact O-CG 3.2Å; F101-R105 PolarHBondContact O-N 2.88Å; F101-R105 PolarHBondContact O-NE 2.6Å; R102-R105 PolarHBondContact O-N 3.4Å; R105-R107 PolarHBondContact O-N 3.11Å; R105-F108 CarbonylContact O-C 3.56Å; R105-F108 PolarHBondContact O-N 3.18Å; R105-F108 VanDerWaalsContact O-N 3.13Å; R105-G109 PolarHBondContact O-N 3.46Å; R105-I110 CarbonylContact C-O 3.54Å; R105-I110 HydrophobicContact CB-CB 4.36Å; R105-I110 PolarHBondContact O-N 2.94Å; R105-D112 IonicContact CZ-OD1 3.09Å; R105-D112 IonicContact CZ-OD2 3.72Å; R105-D112 IonicContact NE-OD1 2.68Å; R105-D112 IonicContact NH1-OD1 2.66Å; R105-D112 PolarHBondContact NH1-OD1 2.86Å; R105-D112 IonicContact NH1-OD2 2.81Å; R105-D112 PolarHBondContact NH1-OD2 3.05Å; R105-D112 IonicContact NH2-OD1 2.68Å; R105-D112 PolarHBondContact NH2-OD1 3.01Å; R105-D112 VanDerWaalsContact NH2-OD1 3.15Å; R105-D112 IonicContact NH2-OD2 3.2Å; R105-D112 PolarHBondContact NH2-OD2 2.79Å; R105-Y115 VanDerWaalsContact NH1-CD1 3.29Å; R105-L181 HydrophobicContact CG-CB 3.98Å; R105-L181 HydrophobicContact CG-CD2 3.96Å
106	E	96.3	Very high	96.8	Very high	119 Å²	119	29 Å²	29	56%	0.556	15%	0.153	S	C	*	.	H	α-helix	trans	-56.1	-47.5	173.9	-177.6	-173.1	-170.3	0	0	112.3	R102 N103 L104 F108 G109	R102-E106 PolarHBondContact O-N 3.38Å; R102-E106 VanDerWaalsContact O-N 3.1Å; N103-E106 PolarHBondContact ND2-OE2 3.04Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.48Å; E106-F108 PolarHBondContact O-N 3.35Å; E106-G109 PolarHBondContact O-N 2.9Å
107	R	96.8	Very high	96.5	Very high	86 Å²	86	29 Å²	29	33%	0.325	16%	0.155	S	C	.	.	H	α-helix	trans	-65.8	-23.4	179.2	-73.5	177	-176.8	-71.8	-5.4	114.2	N103 L104 R105 G109 I168	N103-R107 WeakPolarHBondContact O-CB 3.29Å; N103-R107 VanDerWaalsContact O-CG 3.25Å; N103-R107 WeakPolarHBondContact O-CG 3.16Å; N103-R107 PolarHBondContact O-N 3.4Å; N103-R107 PolarHBondContact OD1-NE 3.24Å; L104-R107 PolarHBondContact O-N 3.28Å; L104-R107 VanDerWaalsContact O-N 3.16Å; R105-R107 PolarHBondContact O-N 3.11Å; R107-G109 VanDerWaalsContact C-N 3.35Å; R107-I168 HydrophobicContact CB-CG2 4Å
108	F	97.6	Very high	96.3	Very high	13 Å²	13	29.1 Å²	29.1	6%	0.057	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.7	173.9	-64.3	-48.6	0	0	0	113.2	L104 R105 E106 I110 Y164 I168 T175 Q179 L181 R199	L104-F108 HydrophobicContact CB-CD2 4.42Å; L104-F108 HydrophobicContact CB-CE2 4.19Å; L104-F108 HydrophobicContact CD2-CE2 4.2Å; L104-F108 WeakPolarHBondContact O-CD2 3.41Å; L104-F108 WeakPolarHBondContact O-CG 3.44Å; L104-F108 PolarHBondContact O-N 3.07Å; R105-F108 CarbonylContact O-C 3.56Å; R105-F108 PolarHBondContact O-N 3.18Å; R105-F108 VanDerWaalsContact O-N 3.13Å; E106-F108 PolarHBondContact O-N 3.35Å; F108-I110 VanDerWaalsContact C-N 3.3Å; F108-I110 HydrophobicContact CB-CD1 4.28Å; F108-I110 PolarHBondContact O-N 3.43Å; F108-Y164 WeakPolarHBondContact CZ-OH 3.09Å; F108-I168 HydrophobicContact CD1-CG2 4.48Å; F108-I168 HydrophobicContact CE1-CD1 3.9Å; F108-I168 HydrophobicContact CE1-CG1 4.28Å; F108-I168 HydrophobicContact CE1-CG2 3.71Å; F108-I168 HydrophobicContact CZ-CB 4.44Å; F108-I168 HydrophobicContact CZ-CD1 3.7Å; F108-I168 HydrophobicContact CZ-CG1 3.78Å; F108-I168 HydrophobicContact CZ-CG2 3.74Å; F108-T175 HydrophobicContact CE1-CG2 4.39Å; F108-Q179 HydrophobicContact CD1-CB 4.16Å; F108-Q179 VanDerWaalsContact CD1-CD 3.42Å; F108-Q179 HydrophobicContact CD1-CG 3.65Å; F108-Q179 HydrophobicContact CD2-CB 3.82Å; F108-Q179 HydrophobicContact CD2-CG 4.24Å; F108-Q179 HydrophobicContact CE1-CB 4.08Å; F108-Q179 HydrophobicContact CE1-CG 3.52Å; F108-Q179 HydrophobicContact CE2-CB 3.72Å; F108-Q179 HydrophobicContact CE2-CG 4.11Å; F108-Q179 HydrophobicContact CG-CB 4.04Å; F108-Q179 HydrophobicContact CG-CG 4.02Å; F108-Q179 HydrophobicContact CZ-CB 3.85Å; F108-Q179 HydrophobicContact CZ-CG 3.76Å; F108-L181 HydrophobicContact CD2-CD2 3.71Å; F108-L181 HydrophobicContact CE2-CD2 4.45Å; F108-R199 PolarHBondContact O-NH2 2.76Å
109	G	95.6	Very high	96.1	Very high	65 Å²	65	28.7 Å²	28.7	67%	0.67	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	34.2	-179.5	0	0	0	0	0	112.9	R105 E106 R107	R105-G109 PolarHBondContact O-N 3.46Å; E106-G109 PolarHBondContact O-N 2.9Å; R107-G109 VanDerWaalsContact C-N 3.35Å
110	I	95.4	Very high	95.9	Very high	20 Å²	20	28.2 Å²	28.2	10%	0.103	15%	0.152	C	C	.	.			trans	-109.3	116.9	175.5	-64.8	167	0	0	0	108	R105 F108 Y115 L181 R199	R105-I110 CarbonylContact C-O 3.54Å; R105-I110 HydrophobicContact CB-CB 4.36Å; R105-I110 PolarHBondContact O-N 2.94Å; F108-I110 VanDerWaalsContact C-N 3.3Å; F108-I110 HydrophobicContact CB-CD1 4.28Å; F108-I110 PolarHBondContact O-N 3.43Å; I110-Y115 HydrophobicContact CG2-CD2 4.46Å; I110-L181 HydrophobicContact CD1-CD1 3.56Å; I110-L181 HydrophobicContact CD1-CD2 3.53Å; I110-L181 HydrophobicContact CD1-CG 4.18Å; I110-R199 VanDerWaalsContact CG1-NH2 3.27Å
111	E	93.6	Very high	95.4	Very high	86 Å²	86	34.4 Å²	34.4	40%	0.402	18%	0.175	S	C	.	.			trans	-73.3	145.6	174.4	-63.2	-170.8	-172.1	0	0	111.3	L113 D114 Y115	E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.78Å; E111-D114 HydrophobicContact CB-CB 4.35Å; E111-D114 PolarHBondContact O-N 2.95Å; E111-Y115 WeakPolarHBondContact O-CB 3.21Å; E111-Y115 PolarHBondContact O-N 3.25Å
112	D	94.9	Very high	95	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.123	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-35.6	-177.5	-86.4	25.9	0	0	0	112.3	I52 R105 Q116	I52-D112 HydrophobicContact CG2-CB 4.08Å; R105-D112 IonicContact CZ-OD1 3.09Å; R105-D112 IonicContact CZ-OD2 3.72Å; R105-D112 IonicContact NE-OD1 2.68Å; R105-D112 IonicContact NH1-OD1 2.66Å; R105-D112 PolarHBondContact NH1-OD1 2.86Å; R105-D112 IonicContact NH1-OD2 2.81Å; R105-D112 PolarHBondContact NH1-OD2 3.05Å; R105-D112 IonicContact NH2-OD1 2.68Å; R105-D112 PolarHBondContact NH2-OD1 3.01Å; R105-D112 VanDerWaalsContact NH2-OD1 3.15Å; R105-D112 IonicContact NH2-OD2 3.2Å; R105-D112 PolarHBondContact NH2-OD2 2.79Å; D112-Q116 WeakPolarHBondContact O-CB 3.44Å; D112-Q116 PolarHBondContact O-N 3.03Å
113	L	93.1	Very high	94.6	Very high	61 Å²	61	38.3 Å²	38.3	32%	0.319	20%	0.204	S	C	.	.	H	α-helix	trans	-67.8	-45.9	176.5	-179	61.4	0	0	0	111.4	E111 Y115 Q116 V117	E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.78Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; L113-Y115 PolarHBondContact O-N 2.91Å; L113-Q116 WeakPolarHBondContact O-CB 3.34Å; L113-Q116 PolarHBondContact O-N 3.33Å; L113-V117 HydrophobicContact CD1-CG2 4.27Å; L113-V117 WeakPolarHBondContact O-CG2 3.45Å; L113-V117 PolarHBondContact O-N 3.43Å
114	D	92.6	Very high	94.3	Very high	25 Å²	25	37.3 Å²	37.3	13%	0.134	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-47.2	177	-72.5	-19	0	0	0	111	E111 Q116 V117 S118 G325 I326	E111-D114 HydrophobicContact CB-CB 4.35Å; E111-D114 PolarHBondContact O-N 2.95Å; D114-Q116 VanDerWaalsContact C-N 3.3Å; D114-Q116 PolarHBondContact O-N 3.11Å; D114-V117 PolarHBondContact O-N 3.47Å; D114-S118 WeakPolarHBondContact O-CB 3.45Å; D114-S118 PolarHBondContact O-N 2.83Å; D114-S118 PolarHBondContact O-OG 3.42Å; D114-G325 WeakPolarHBondContact OD1-CA 3.3Å; D114-I326 HydrophobicContact CB-CB 4.18Å; D114-I326 PolarHBondContact OD1-N 3.44Å
115	Y	96.7	Very high	93.8	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-54.6	-45.7	174.5	178.8	-99.5	0	0	0	112.5	V48 I52 R105 I110 E111 L113 L119 L144 L181 Y184 V197	V48-Y115 HydrophobicContact CG1-CE1 4.09Å; I52-Y115 HydrophobicContact CD1-CD1 4.04Å; I52-Y115 HydrophobicContact CD1-CE1 4.21Å; I52-Y115 HydrophobicContact CG1-CD1 4.18Å; R105-Y115 VanDerWaalsContact NH1-CD1 3.29Å; I110-Y115 HydrophobicContact CG2-CD2 4.46Å; E111-Y115 WeakPolarHBondContact O-CB 3.21Å; E111-Y115 PolarHBondContact O-N 3.25Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; L113-Y115 PolarHBondContact O-N 2.91Å; Y115-L119 HydrophobicContact CD1-CD1 4.11Å; Y115-L119 HydrophobicContact CD2-CD1 4.16Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE2-CD1 3.61Å; Y115-L119 HydrophobicContact CG-CD1 4.39Å; Y115-L119 WeakPolarHBondContact O-CG 3.46Å; Y115-L119 PolarHBondContact O-N 2.85Å; Y115-L119 WeakPolarHBondContact OH-CD1 3.25Å; Y115-L144 HydrophobicContact CD2-CD1 3.71Å; Y115-L144 HydrophobicContact CE2-CD1 3.97Å; Y115-L181 HydrophobicContact CD2-CB 4.3Å; Y115-L181 HydrophobicContact CD2-CD1 4.39Å; Y115-L181 HydrophobicContact CE2-CB 3.66Å; Y115-L181 HydrophobicContact CE2-CD1 4.24Å; Y115-Y184 WeakPolarHBondContact CE1-OH 3.44Å; Y115-Y184 WeakPolarHBondContact OH-CE2 3.5Å; Y115-Y184 PolarHBondContact OH-OH 2.99Å; Y115-V197 HydrophobicContact CE2-CB 4.35Å; Y115-V197 HydrophobicContact CE2-CG1 3.71Å; Y115-V197 WeakPolarHBondContact OH-CB 3.4Å
116	Q	95.6	Very high	93	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.065	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-46.5	177.9	-174	-173.3	42.8	0	0	111.3	N49 I52 N53 D112 L113 D114 L119 T120	N49-Q116 PolarHBondContact O-NE2 2.99Å; N49-Q116 PolarHBondContact OD1-NE2 3.19Å; I52-Q116 HydrophobicContact CB-CB 4.3Å; I52-Q116 HydrophobicContact CB-CG 4.29Å; I52-Q116 HydrophobicContact CG1-CB 4.24Å; I52-Q116 HydrophobicContact CG2-CB 4.1Å; I52-Q116 HydrophobicContact CG2-CG 4.42Å; N53-Q116 VanDerWaalsContact CG-NE2 3.3Å; N53-Q116 PolarHBondContact ND2-NE2 3.27Å; N53-Q116 PolarHBondContact OD1-NE2 3.13Å; D112-Q116 WeakPolarHBondContact O-CB 3.44Å; D112-Q116 PolarHBondContact O-N 3.03Å; L113-Q116 WeakPolarHBondContact O-CB 3.34Å; L113-Q116 PolarHBondContact O-N 3.33Å; D114-Q116 VanDerWaalsContact C-N 3.3Å; D114-Q116 PolarHBondContact O-N 3.11Å; Q116-L119 PolarHBondContact O-N 3.11Å; Q116-T120 VanDerWaalsContact O-CB 3.3Å; Q116-T120 WeakPolarHBondContact O-CB 3.27Å; Q116-T120 VanDerWaalsContact O-CG2 3.23Å; Q116-T120 WeakPolarHBondContact O-CG2 2.99Å; Q116-T120 PolarHBondContact O-N 3.1Å; Q116-T120 PolarHBondContact O-OG1 3.44Å
117	V	92.8	Very high	91.4	Very high	15 Å²	15	45 Å²	45	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-51.2	-179.7	173.6	0	0	0	0	110.3	L113 D114 L119 T120 R121 Y140 E324	L113-V117 HydrophobicContact CD1-CG2 4.27Å; L113-V117 WeakPolarHBondContact O-CG2 3.45Å; L113-V117 PolarHBondContact O-N 3.43Å; D114-V117 PolarHBondContact O-N 3.47Å; V117-L119 PolarHBondContact O-N 3.16Å; V117-L119 VanDerWaalsContact O-N 3.16Å; V117-T120 PolarHBondContact O-N 2.99Å; V117-T120 VanDerWaalsContact O-N 3.14Å; V117-R121 HydrophobicContact CG1-CB 4.12Å; V117-R121 VanDerWaalsContact O-CB 3.25Å; V117-R121 WeakPolarHBondContact O-CB 3.43Å; V117-R121 PolarHBondContact O-N 3.07Å; V117-Y140 WeakPolarHBondContact O-CE1 3.46Å; V117-E324 WeakPolarHBondContact CG1-O 3.5Å
118	S	93.9	Very high	89.3	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-52.2	-38	178.9	-63.3	0	0	0	0	113	D114 S139 Y140 D141	D114-S118 WeakPolarHBondContact O-CB 3.45Å; D114-S118 PolarHBondContact O-N 2.83Å; D114-S118 PolarHBondContact O-OG 3.42Å; S118-S139 WeakPolarHBondContact O-CB 3.43Å; S118-Y140 WeakPolarHBondContact O-CD1 3.32Å; S118-D141 VanDerWaalsContact CB-OD2 3.3Å; S118-D141 WeakPolarHBondContact CB-OD2 3.32Å; S118-D141 PolarHBondContact OG-OD2 3.42Å
119	L	94.8	Very high	87	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-88.8	-21.6	-178	-68.5	175.7	0	0	0	114.9	F44 M45 V48 Y115 Q116 V117 L144 I146 V197	F44-L119 HydrophobicContact CE1-CD2 4.23Å; F44-L119 HydrophobicContact CZ-CD1 4.27Å; F44-L119 HydrophobicContact CZ-CD2 4.28Å; M45-L119 WeakPolarHBondContact CG-O 3.4Å; V48-L119 HydrophobicContact CG1-CB 4.19Å; V48-L119 HydrophobicContact CG1-CD1 3.88Å; V48-L119 HydrophobicContact CG2-CD1 4.3Å; Y115-L119 HydrophobicContact CD1-CD1 4.11Å; Y115-L119 HydrophobicContact CD2-CD1 4.16Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE2-CD1 3.61Å; Y115-L119 HydrophobicContact CG-CD1 4.39Å; Y115-L119 WeakPolarHBondContact O-CG 3.46Å; Y115-L119 PolarHBondContact O-N 2.85Å; Y115-L119 WeakPolarHBondContact OH-CD1 3.25Å; Q116-L119 PolarHBondContact O-N 3.11Å; V117-L119 PolarHBondContact O-N 3.16Å; V117-L119 VanDerWaalsContact O-N 3.16Å; L119-L144 HydrophobicContact CD1-CD1 4.34Å; L119-L144 HydrophobicContact CD2-CB 4.45Å; L119-L144 HydrophobicContact CD2-CD1 3.96Å; L119-L144 HydrophobicContact CG-CD1 3.87Å; L119-I146 HydrophobicContact CD2-CD1 3.8Å; L119-I146 HydrophobicContact CD2-CG1 3.9Å; L119-V197 HydrophobicContact CD1-CG1 4.21Å; L119-V197 HydrophobicContact CD1-CG2 4.29Å; L119-V197 HydrophobicContact CD2-CG1 4.23Å
120	T	92.9	Very high	84.7	Confident	16 Å²	16	45.3 Å²	45.3	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-124.4	-17	-164.1	73.4	0	0	0	0	115.1	M45 V48 N49 Q116 V117 S122	M45-T120 HydrophobicContact CB-CG2 4.36Å; M45-T120 VanDerWaalsContact O-CG2 3.27Å; M45-T120 WeakPolarHBondContact O-CG2 3.44Å; V48-T120 HydrophobicContact CB-CG2 4.06Å; V48-T120 HydrophobicContact CG1-CG2 3.93Å; N49-T120 HydrophobicContact CB-CG2 4.15Å; Q116-T120 VanDerWaalsContact O-CB 3.3Å; Q116-T120 WeakPolarHBondContact O-CB 3.27Å; Q116-T120 VanDerWaalsContact O-CG2 3.23Å; Q116-T120 WeakPolarHBondContact O-CG2 2.99Å; Q116-T120 PolarHBondContact O-N 3.1Å; Q116-T120 PolarHBondContact O-OG1 3.44Å; V117-T120 PolarHBondContact O-N 2.99Å; V117-T120 VanDerWaalsContact O-N 3.14Å; T120-S122 VanDerWaalsContact C-N 3.3Å; T120-S122 PolarHBondContact O-N 2.9Å
121	R	89.4	Confident	82.2	Confident	130 Å²	130	52.1 Å²	52.1	49%	0.491	29%	0.29	S	S	.	.	S	Bend	trans	-64.8	-35.1	177.6	-175.8	179.4	-178.3	168.4	1.5	112.2	V117 Y140 E324	V117-R121 HydrophobicContact CG1-CB 4.12Å; V117-R121 VanDerWaalsContact O-CB 3.25Å; V117-R121 WeakPolarHBondContact O-CB 3.43Å; V117-R121 PolarHBondContact O-N 3.07Å; R121-Y140 HydrophobicContact CB-CD1 4.13Å; R121-Y140 HydrophobicContact CB-CE1 3.62Å; R121-Y140 WeakPolarHBondContact CD-OH 3.35Å; R121-Y140 HydrophobicContact CG-CE1 4.3Å; R121-E324 PolarHBondContact NH1-O 3.5Å
122	S	89.4	Confident	79.8	Confident	49 Å²	49	50.6 Å²	50.6	34%	0.343	30%	0.297	S	S	.	.	S	Bend	trans	-146.8	148.7	176.3	-75.1	0	0	0	0	110.2	T120	T120-S122 VanDerWaalsContact C-N 3.3Å; T120-S122 PolarHBondContact O-N 2.9Å
123	P	89.8	Confident	77.4	Confident	51 Å²	51	59.8 Å²	59.8	33%	0.331	34%	0.339	S	S	.	.			trans	-55.9	131.7	-179.5	-25.1	34.3	0	0	0	111.8	R35 A36 M45	R35-P123 WeakPolarHBondContact O-CG 3.29Å; A36-P123 HydrophobicContact CB-CB 4.01Å; A36-P123 HydrophobicContact CB-CG 4.14Å; M45-P123 HydrophobicContact CE-CB 4.25Å; M45-P123 HydrophobicContact CE-CG 4.08Å; M45-P123 HydrophobicContact SD-CB 4.37Å; M45-P123 HydrophobicContact SD-CG 4.36Å
124	P	91.6	Very high	75.8	Confident	6 Å²	6	59 Å²	59	4%	0.039	35%	0.345	C	S	.	.			trans	-57.2	140.4	170.8	-25.5	34.6	0	0	0	111.6	F44 L137 T138 I146	F44-P124 HydrophobicContact CE1-CG 4.39Å; P124-L137 HydrophobicContact CB-CB 3.89Å; P124-L137 HydrophobicContact CB-CD1 4.3Å; P124-T138 CarbonylContact C-O 3.38Å; P124-T138 VanDerWaalsContact CA-O 3.28Å; P124-T138 WeakPolarHBondContact CA-O 3.48Å; P124-T138 WeakPolarHBondContact CB-O 3.42Å; P124-I146 HydrophobicContact CB-CD1 3.64Å; P124-I146 HydrophobicContact CG-CD1 3.78Å
125	V	88.3	Confident	74.7	Confident	92 Å²	92	59.7 Å²	59.7	56%	0.558	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.5	-173.1	-172.1	0	0	0	0	109.3	G127 L137 T138	V125-G127 PolarHBondContact O-N 2.72Å; V125-L137 CarbonylContact O-C 3.58Å; V125-L137 VanDerWaalsContact O-CA 3.3Å; V125-L137 WeakPolarHBondContact O-CA 3.29Å; V125-T138 PolarHBondContact N-O 3.44Å; V125-T138 PolarHBondContact O-N 2.77Å
126	R	81.4	Confident	74.2	Confident	159 Å²	159	63 Å²	63	60%	0.6	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.7	169.2	-72.6	-178	-179	-165.5	1.3	108.6	L137	R126-L137 HydrophobicContact CB-CD2 4.18Å; R126-L137 HydrophobicContact CG-CD2 3.35Å
127	G	64	Low	74	Confident	29 Å²	29	62.4 Å²	62.4	30%	0.299	36%	0.364	S	S	.	.			trans	-59.8	140.5	172.4	0	0	0	0	0	110.1	V125 D129 A130	V125-G127 PolarHBondContact O-N 2.72Å; G127-D129 PolarHBondContact O-N 2.9Å; G127-A130 WeakPolarHBondContact O-CB 3.41Å; G127-A130 PolarHBondContact O-N 2.89Å
128	G	52.2	Low	74	Confident	80 Å²	80	63.1 Å²	63.1	83%	0.825	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.2	179.8	0	0	0	0	0	113.8
129	D	49.5	Very low	74	Confident	59 Å²	59	63.1 Å²	63.1	32%	0.316	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.5	-178.3	-61	-16.7	0	0	0	114.6	G127 Q131 K211	G127-D129 PolarHBondContact O-N 2.9Å; D129-Q131 PolarHBondContact O-N 3.42Å; D129-K211 VanDerWaalsContact CG-NZ 3.27Å; D129-K211 IonicContact OD2-NZ 3.89Å; D129-K211 PolarHBondContact OD2-NZ 3.27Å
130	A	47.8	Very low	73.8	Confident	33 Å²	33	66 Å²	66	27%	0.273	38%	0.379	S	S	.	.			trans	-83.2	45.9	-166.8	0	0	0	0	0	114.3	G127 L136	G127-A130 WeakPolarHBondContact O-CB 3.41Å; G127-A130 PolarHBondContact O-N 2.89Å; A130-L136 HydrophobicContact CB-CB 3.94Å
131	Q	41.9	Very low	73.6	Confident	163 Å²	163	66 Å²	66	76%	0.762	38%	0.379	S	S	*	.			trans	-86.4	15.4	165.8	-78.5	174.6	-0.5	0	0	112.9	D129	D129-Q131 PolarHBondContact O-N 3.42Å
132	G	42.7	Very low	73.7	Confident	53 Å²	53	66.3 Å²	66.3	55%	0.546	38%	0.38	S	S	.	.	S	Bend	trans	-74.6	167.4	168.1	0	0	0	0	0	112.4	G134	G132-G134 PolarHBondContact O-N 3.33Å
133	E	45.1	Very low	73.9	Confident	217 Å²	217	64.7 Å²	64.7	100%	1.014	37%	0.368	S	S	*	.	S	Bend	trans	-65.6	97.6	173.8	-69.2	-176.8	165.5	0	0	110.2
134	G	58.5	Low	74.2	Confident	43 Å²	43	62.5 Å²	62.5	44%	0.443	35%	0.353	S	S	.	.	S	Bend	trans	129.4	148.8	173.3	0	0	0	0	0	113.8	G132 L136	G132-G134 PolarHBondContact O-N 3.33Å; G134-L136 PolarHBondContact O-N 3.43Å
135	I	70.5	Confident	74.4	Confident	41 Å²	41	62.9 Å²	62.9	21%	0.21	36%	0.355	C	S	.	.			trans	-71	113	177.2	-64.6	175.5	0	0	0	109.2	L137 Q148	I135-L137 HydrophobicContact CG2-CD1 3.71Å; I135-L137 HydrophobicContact CG2-CD2 3.78Å; I135-L137 HydrophobicContact CG2-CG 3.52Å; I135-Q148 HydrophobicContact CB-CB 3.88Å; I135-Q148 PolarHBondContact O-N 2.88Å
136	L	86.6	Confident	74.8	Confident	69 Å²	69	58.5 Å²	58.5	36%	0.361	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.1	167.7	-168	73	0	0	0	108.8	A130 G134 V145 K147	A130-L136 HydrophobicContact CB-CB 3.94Å; G134-L136 PolarHBondContact O-N 3.43Å; L136-V145 HydrophobicContact CD1-CG1 3.38Å; L136-V145 HydrophobicContact CG-CG1 4.05Å; L136-K147 HydrophobicContact CD1-CB 3.83Å; L136-K147 HydrophobicContact CD1-CD 4.44Å; L136-K147 HydrophobicContact CD1-CG 4.06Å
137	L	91.8	Very high	75.4	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.8	-178.3	-52.6	164.6	0	0	0	109.7	L41 P124 V125 R126 I135 V145 I146	L41-L137 HydrophobicContact CD1-CD1 4.29Å; L41-L137 HydrophobicContact CD2-CD1 3.31Å; L41-L137 HydrophobicContact CG-CD1 4.42Å; P124-L137 HydrophobicContact CB-CB 3.89Å; P124-L137 HydrophobicContact CB-CD1 4.3Å; V125-L137 CarbonylContact O-C 3.58Å; V125-L137 VanDerWaalsContact O-CA 3.3Å; V125-L137 WeakPolarHBondContact O-CA 3.29Å; R126-L137 HydrophobicContact CB-CD2 4.18Å; R126-L137 HydrophobicContact CG-CD2 3.35Å; I135-L137 HydrophobicContact CG2-CD1 3.71Å; I135-L137 HydrophobicContact CG2-CD2 3.78Å; I135-L137 HydrophobicContact CG2-CG 3.52Å; L137-V145 CarbonylContact O-C 3.43Å; L137-V145 WeakPolarHBondContact O-CA 3.49Å; L137-I146 HydrophobicContact CB-CB 4.22Å; L137-I146 HydrophobicContact CB-CD1 4.1Å; L137-I146 PolarHBondContact N-O 3.34Å; L137-I146 PolarHBondContact O-N 3.47Å
138	T	92.8	Very high	76.8	Confident	29 Å²	29	56 Å²	56	18%	0.178	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.6	175.5	-58.9	0	0	0	0	108.1	P124 V125 R142 L144	P124-T138 CarbonylContact C-O 3.38Å; P124-T138 VanDerWaalsContact CA-O 3.28Å; P124-T138 WeakPolarHBondContact CA-O 3.48Å; P124-T138 WeakPolarHBondContact CB-O 3.42Å; V125-T138 PolarHBondContact N-O 3.44Å; V125-T138 PolarHBondContact O-N 2.77Å; T138-R142 HydrophobicContact CG2-CB 4.01Å; T138-R142 HydrophobicContact CG2-CG 4.06Å; T138-L144 WeakPolarHBondContact CA-O 3.03Å
139	S	94.1	Very high	78.8	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.021	28%	0.279	C	S	.	.			trans	-58.7	159.8	172.7	57	0	0	0	0	111	S118 D141 R142 T143 L144	S118-S139 WeakPolarHBondContact O-CB 3.43Å; S139-D141 WeakPolarHBondContact CB-OD1 3.4Å; S139-D141 PolarHBondContact O-N 3.32Å; S139-D141 PolarHBondContact OG-OD1 3.24Å; S139-R142 PolarHBondContact O-N 2.9Å; S139-T143 PolarHBondContact OG-N 2.8Å; S139-L144 PolarHBondContact N-O 3.04Å; S139-L144 PolarHBondContact OG-N 3.2Å; S139-L144 PolarHBondContact OG-O 3.12Å
140	Y	88.9	Confident	80.9	Confident	61 Å²	61	52.1 Å²	52.1	24%	0.239	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.4	-175.4	81.7	-90.4	0	0	0	112.8	V117 S118 R121 R142	V117-Y140 WeakPolarHBondContact O-CE1 3.46Å; S118-Y140 WeakPolarHBondContact O-CD1 3.32Å; R121-Y140 HydrophobicContact CB-CD1 4.13Å; R121-Y140 HydrophobicContact CB-CE1 3.62Å; R121-Y140 WeakPolarHBondContact CD-OH 3.35Å; R121-Y140 HydrophobicContact CG-CE1 4.3Å; Y140-R142 VanDerWaalsContact C-N 3.31Å
141	D	89.9	Confident	83.1	Confident	16 Å²	16	53.2 Å²	53.2	9%	0.086	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2	178.1	65.6	-14.4	0	0	0	112.7	S118 S139 T143 H204	S118-D141 VanDerWaalsContact CB-OD2 3.3Å; S118-D141 WeakPolarHBondContact CB-OD2 3.32Å; S118-D141 PolarHBondContact OG-OD2 3.42Å; S139-D141 WeakPolarHBondContact CB-OD1 3.4Å; S139-D141 PolarHBondContact O-N 3.32Å; S139-D141 PolarHBondContact OG-OD1 3.24Å; D141-T143 HydrophobicContact CB-CG2 4.36Å; D141-T143 PolarHBondContact O-N 2.96Å; D141-T143 VanDerWaalsContact O-N 3.13Å; D141-T143 PolarHBondContact OD1-N 3.19Å; D141-T143 PolarHBondContact OD1-OG1 3.41Å; D141-T143 WeakPolarHBondContact OD2-CG2 3.23Å; D141-T143 PolarHBondContact OD2-OG1 2.88Å; D141-H204 WeakPolarHBondContact O-CB 3.1Å
142	R	91.4	Very high	85.4	Confident	137 Å²	137	51.2 Å²	51.2	52%	0.517	28%	0.275	S	S	.	.	S	Bend	trans	61.2	14.6	178.6	-53.7	-174.4	-69	-154	0	115.9	T138 S139 Y140 N200 H204	T138-R142 HydrophobicContact CG2-CB 4.01Å; T138-R142 HydrophobicContact CG2-CG 4.06Å; S139-R142 PolarHBondContact O-N 2.9Å; Y140-R142 VanDerWaalsContact C-N 3.31Å; R142-N200 WeakPolarHBondContact O-CB 3.4Å; R142-N200 PolarHBondContact O-ND2 3.45Å; R142-H204 HydrophobicContact CB-CB 4.12Å; R142-H204 VanDerWaalsContact CZ-O 3.25Å; R142-H204 PolarHBondContact NE-O 3.36Å; R142-H204 PolarHBondContact NH2-O 3.47Å
143	T	93.4	Very high	87.9	Confident	14 Å²	14	50.9 Å²	50.9	9%	0.086	26%	0.261	C	S	.	.	S	Bend	trans	-86.3	-24.2	179.8	61.9	0	0	0	0	113.4	S139 D141 N200 H204 I326 M330 V345	S139-T143 PolarHBondContact OG-N 2.8Å; D141-T143 HydrophobicContact CB-CG2 4.36Å; D141-T143 PolarHBondContact O-N 2.96Å; D141-T143 VanDerWaalsContact O-N 3.13Å; D141-T143 PolarHBondContact OD1-N 3.19Å; D141-T143 PolarHBondContact OD1-OG1 3.41Å; D141-T143 WeakPolarHBondContact OD2-CG2 3.23Å; D141-T143 PolarHBondContact OD2-OG1 2.88Å; T143-N200 WeakPolarHBondContact O-CB 3.34Å; T143-N200 PolarHBondContact O-N 3.13Å; T143-H204 HydrophobicContact CG2-CB 4.1Å; T143-I326 HydrophobicContact CG2-CG2 4.22Å; T143-M330 HydrophobicContact CG2-CE 3.65Å; T143-V345 HydrophobicContact CG2-CG1 4.34Å
144	L	96.1	Very high	90.3	Very high	5 Å²	5	41 Å²	41	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152	-176.1	-56	-178.7	0	0	0	111.8	Y115 L119 T138 S139 L181 V197	Y115-L144 HydrophobicContact CD2-CD1 3.71Å; Y115-L144 HydrophobicContact CE2-CD1 3.97Å; L119-L144 HydrophobicContact CD1-CD1 4.34Å; L119-L144 HydrophobicContact CD2-CB 4.45Å; L119-L144 HydrophobicContact CD2-CD1 3.96Å; L119-L144 HydrophobicContact CG-CD1 3.87Å; T138-L144 WeakPolarHBondContact CA-O 3.03Å; S139-L144 PolarHBondContact N-O 3.04Å; S139-L144 PolarHBondContact OG-N 3.2Å; S139-L144 PolarHBondContact OG-O 3.12Å; L144-L181 HydrophobicContact CD2-CD1 3.39Å; L144-V197 HydrophobicContact CB-CG1 4.35Å; L144-V197 HydrophobicContact CD1-CG1 4.26Å
145	V	95.6	Very high	92	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.085	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133	174.6	173	0	0	0	0	109.1	L136 L137 V197 M198 N200	L136-V145 HydrophobicContact CD1-CG1 3.38Å; L136-V145 HydrophobicContact CG-CG1 4.05Å; L137-V145 CarbonylContact O-C 3.43Å; L137-V145 WeakPolarHBondContact O-CA 3.49Å; V145-V197 WeakPolarHBondContact O-CA 3.47Å; V145-M198 HydrophobicContact CB-CE 4.39Å; V145-M198 HydrophobicContact CB-CG 4.2Å; V145-M198 HydrophobicContact CG1-CE 3.76Å; V145-M198 HydrophobicContact CG1-CG 4.49Å; V145-M198 PolarHBondContact N-O 2.88Å; V145-M198 PolarHBondContact O-N 2.65Å; V145-N200 HydrophobicContact CG2-CB 3.85Å
146	I	96.3	Very high	93.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.8	171.8	-48.7	99.2	0	0	0	108	F44 L119 P124 L137 L195 I196 V197	F44-I146 HydrophobicContact CE1-CG1 4.11Å; F44-I146 HydrophobicContact CZ-CG1 4.03Å; F44-I146 HydrophobicContact CZ-CG2 4.19Å; L119-I146 HydrophobicContact CD2-CD1 3.8Å; L119-I146 HydrophobicContact CD2-CG1 3.9Å; P124-I146 HydrophobicContact CB-CD1 3.64Å; P124-I146 HydrophobicContact CG-CD1 3.78Å; L137-I146 HydrophobicContact CB-CB 4.22Å; L137-I146 HydrophobicContact CB-CD1 4.1Å; L137-I146 PolarHBondContact N-O 3.34Å; L137-I146 PolarHBondContact O-N 3.47Å; I146-L195 HydrophobicContact CG2-CB 4.05Å; I146-L195 HydrophobicContact CG2-CD1 4.44Å; I146-L195 HydrophobicContact CG2-CD2 4.1Å; I146-L195 HydrophobicContact CG2-CG 4.43Å; I146-I196 WeakPolarHBondContact CA-O 3.4Å; I146-V197 HydrophobicContact CG1-CG2 3.95Å; I146-V197 HydrophobicContact CG2-CG2 4.24Å
147	K	93.6	Very high	93.5	Very high	71 Å²	71	38.8 Å²	38.8	31%	0.309	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.6	177.8	-176.4	173.9	-179.2	179.2	0	109.4	L136 I149 L195 I196 M198 D368	L136-K147 HydrophobicContact CD1-CB 3.83Å; L136-K147 HydrophobicContact CD1-CD 4.44Å; L136-K147 HydrophobicContact CD1-CG 4.06Å; K147-I149 HydrophobicContact CG-CG2 4.2Å; K147-L195 WeakPolarHBondContact O-CA 3.29Å; K147-I196 HydrophobicContact CB-CG2 3.97Å; K147-I196 PolarHBondContact N-O 3.49Å; K147-I196 PolarHBondContact O-N 2.92Å; K147-M198 HydrophobicContact CB-CE 3.99Å; K147-M198 HydrophobicContact CD-CE 4.13Å; K147-D368 IonicContact NZ-OD1 3.92Å; K147-D368 PolarHBondContact NZ-OD1 2.87Å
148	Q	94.1	Very high	93.7	Very high	65 Å²	65	41.6 Å²	41.6	30%	0.304	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.4	164.8	-179.2	-179.5	-6.1	0	0	109.4	I135 T193 Y194 L195	I135-Q148 HydrophobicContact CB-CB 3.88Å; I135-Q148 PolarHBondContact O-N 2.88Å; Q148-T193 HydrophobicContact CG-CG2 3.91Å; Q148-Y194 WeakPolarHBondContact CA-O 3.27Å; Q148-L195 HydrophobicContact CB-CD2 4.15Å
149	I	93.6	Very high	93.7	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	164.1	-179.3	59.9	169.2	0	0	0	110.5	K147 D153 V154 M183 Y194 I196	K147-I149 HydrophobicContact CG-CG2 4.2Å; I149-D153 HydrophobicContact CB-CB 3.8Å; I149-D153 HydrophobicContact CD1-CB 4.19Å; I149-D153 HydrophobicContact CG1-CB 4.41Å; I149-D153 HydrophobicContact CG2-CB 4.46Å; I149-V154 HydrophobicContact CD1-CG2 3.53Å; I149-V154 HydrophobicContact CG1-CG2 4.06Å; I149-M183 HydrophobicContact CD1-SD 4.35Å; I149-Y194 PolarHBondContact N-O 3.15Å; I149-I196 HydrophobicContact CD1-CB 4.05Å; I149-I196 HydrophobicContact CD1-CG2 4.38Å; I149-I196 HydrophobicContact CG2-CB 4.47Å; I149-I196 HydrophobicContact CG2-CG2 3.67Å
150	S	93.4	Very high	93.8	Very high	43 Å²	43	42.6 Å²	42.6	30%	0.301	23%	0.231	S	C	.	.			trans	-80	167.8	174.8	66.2	0	0	0	0	111.8	E152 D153 V154	S150-E152 WeakPolarHBondContact CB-OE2 3.46Å; S150-E152 PolarHBondContact O-N 3.2Å; S150-D153 WeakPolarHBondContact CB-OD2 3.3Å; S150-D153 PolarHBondContact N-OD2 3.02Å; S150-D153 PolarHBondContact O-N 2.85Å; S150-D153 PolarHBondContact OG-N 3.1Å; S150-D153 PolarHBondContact OG-OD2 2.86Å; S150-V154 WeakPolarHBondContact O-CG2 3.38Å; S150-V154 PolarHBondContact O-N 2.81Å
151	S	94.1	Very high	94.2	Very high	57 Å²	57	39.8 Å²	39.8	40%	0.399	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-31.4	170.7	38.4	0	0	0	0	112.5	V154 A155	S151-V154 PolarHBondContact O-N 3.45Å; S151-A155 PolarHBondContact O-N 2.83Å; S151-A155 VanDerWaalsContact O-N 3.16Å
152	E	91.8	Very high	94.6	Very high	121 Å²	121	40.9 Å²	40.9	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-66.2	-46.6	176	-67.9	76.1	-178.8	0	0	110.1	S150 V154 A155 D156	S150-E152 WeakPolarHBondContact CB-OE2 3.46Å; S150-E152 PolarHBondContact O-N 3.2Å; E152-V154 VanDerWaalsContact C-N 3.25Å; E152-V154 PolarHBondContact O-N 2.59Å; E152-A155 CarbonylContact O-C 3.47Å; E152-A155 WeakPolarHBondContact O-CA 3.17Å; E152-A155 WeakPolarHBondContact O-CB 3.22Å; E152-A155 PolarHBondContact O-N 2.98Å; E152-D156 PolarHBondContact O-N 2.94Å
153	D	93.5	Very high	94.9	Very high	46 Å²	46	37.5 Å²	37.5	25%	0.246	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-35	175.4	-65.2	-49.6	0	0	0	112.2	I149 S150 D156 M157 L370	I149-D153 HydrophobicContact CB-CB 3.8Å; I149-D153 HydrophobicContact CD1-CB 4.19Å; I149-D153 HydrophobicContact CG1-CB 4.41Å; I149-D153 HydrophobicContact CG2-CB 4.46Å; S150-D153 WeakPolarHBondContact CB-OD2 3.3Å; S150-D153 PolarHBondContact N-OD2 3.02Å; S150-D153 PolarHBondContact O-N 2.85Å; S150-D153 PolarHBondContact OG-N 3.1Å; S150-D153 PolarHBondContact OG-OD2 2.86Å; D153-D156 PolarHBondContact O-N 3.13Å; D153-M157 VanDerWaalsContact O-CB 3.29Å; D153-M157 WeakPolarHBondContact O-CB 3.4Å; D153-M157 PolarHBondContact O-N 3.37Å; D153-L370 HydrophobicContact CB-CD1 4.23Å
154	V	96.1	Very high	95.2	Very high	8 Å²	8	37 Å²	37	5%	0.048	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-41.6	174.2	171.4	0	0	0	0	111	Y96 I149 S150 S151 E152 H158 M183 Y194	Y96-V154 HydrophobicContact CE1-CG1 4.22Å; Y96-V154 HydrophobicContact CE2-CG1 4.38Å; I149-V154 HydrophobicContact CD1-CG2 3.53Å; I149-V154 HydrophobicContact CG1-CG2 4.06Å; S150-V154 WeakPolarHBondContact O-CG2 3.38Å; S150-V154 PolarHBondContact O-N 2.81Å; S151-V154 PolarHBondContact O-N 3.45Å; E152-V154 VanDerWaalsContact C-N 3.25Å; E152-V154 PolarHBondContact O-N 2.59Å; V154-H158 PolarHBondContact O-CD2 3.44Å; V154-H158 VanDerWaalsContact O-CD2 3.31Å; V154-H158 PolarHBondContact O-N 2.83Å; V154-M183 HydrophobicContact CB-SD 4.34Å; V154-M183 HydrophobicContact CG1-CE 3.94Å; V154-M183 HydrophobicContact CG1-SD 4.07Å; V154-M183 HydrophobicContact CG2-SD 4.12Å; V154-Y194 HydrophobicContact CG2-CD1 3.71Å; V154-Y194 HydrophobicContact CG2-CG 4.01Å
155	A	94.4	Very high	95.3	Very high	62 Å²	62	37.7 Å²	37.7	51%	0.512	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-42.7	176.1	0	0	0	0	0	111.4	S151 E152 H158 G159	S151-A155 PolarHBondContact O-N 2.83Å; S151-A155 VanDerWaalsContact O-N 3.16Å; E152-A155 CarbonylContact O-C 3.47Å; E152-A155 WeakPolarHBondContact O-CA 3.17Å; E152-A155 WeakPolarHBondContact O-CB 3.22Å; E152-A155 PolarHBondContact O-N 2.98Å; A155-H158 PolarHBondContact O-N 3.47Å; A155-G159 PolarHBondContact O-N 2.83Å
156	D	92.7	Very high	95.4	Very high	46 Å²	46	41.4 Å²	41.4	25%	0.246	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-42.5	176.2	-72.5	-23.4	0	0	0	111.3	E152 D153 G159 I160	E152-D156 PolarHBondContact O-N 2.94Å; D153-D156 PolarHBondContact O-N 3.13Å; D156-G159 WeakPolarHBondContact O-CA 3.35Å; D156-G159 PolarHBondContact O-N 3.32Å; D156-G159 VanDerWaalsContact O-N 3.08Å; D156-I160 PolarHBondContact O-N 3.14Å
157	M	95.8	Very high	95.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-48.9	173.2	176.3	55.1	88	0	0	111.3	D153 G159 I160 L161 F180 M183 I196 L370	D153-M157 VanDerWaalsContact O-CB 3.29Å; D153-M157 WeakPolarHBondContact O-CB 3.4Å; D153-M157 PolarHBondContact O-N 3.37Å; M157-G159 PolarHBondContact O-N 3.28Å; M157-I160 WeakPolarHBondContact O-CG1 3.43Å; M157-I160 PolarHBondContact O-N 3.06Å; M157-I160 HydrophobicContact SD-CD1 4.34Å; M157-I160 HydrophobicContact SD-CG1 4.11Å; M157-L161 WeakPolarHBondContact O-CB 3.41Å; M157-L161 PolarHBondContact O-N 3.3Å; M157-L161 HydrophobicContact SD-CD1 4.21Å; M157-F180 HydrophobicContact CE-CB 4.3Å; M157-F180 HydrophobicContact CE-CD1 3.72Å; M157-F180 HydrophobicContact CE-CD2 3.33Å; M157-F180 HydrophobicContact CE-CE1 3.73Å; M157-F180 HydrophobicContact CE-CE2 3.38Å; M157-F180 HydrophobicContact CE-CG 3.51Å; M157-F180 HydrophobicContact CE-CZ 3.57Å; M157-F180 HydrophobicContact SD-CD2 4.38Å; M157-M183 HydrophobicContact CB-SD 3.99Å; M157-M183 HydrophobicContact CG-CE 4.17Å; M157-M183 HydrophobicContact CG-SD 3.74Å; M157-I196 HydrophobicContact CE-CD1 3.34Å; M157-L370 HydrophobicContact CB-CD2 4.35Å; M157-L370 HydrophobicContact CE-CD2 3.96Å; M157-L370 HydrophobicContact SD-CD2 4.39Å
158	H	95.9	Very high	95.7	Very high	62 Å²	62	38.9 Å²	38.9	29%	0.287	22%	0.224	S	C	.	.	H	α-helix	trans	-58	-34.2	174.6	-89.8	-70.3	0	0	0	112.6	F69 Y96 C97 V154 A155 I160	F69-H158 PolarHBondContact O-ND1 3.16Å; Y96-H158 AromaticContact CD1-NE2 3.31Å; Y96-H158 VanDerWaalsContact CD1-NE2 3.31Å; Y96-H158 WeakPolarHBondContact CD1-NE2 3.45Å; Y96-H158 AromaticContact CG-NE2 3.98Å; C97-H158 PolarHBondContact SG-CE1 2.86Å; V154-H158 PolarHBondContact O-CD2 3.44Å; V154-H158 VanDerWaalsContact O-CD2 3.31Å; V154-H158 PolarHBondContact O-N 2.83Å; A155-H158 PolarHBondContact O-N 3.47Å; H158-I160 VanDerWaalsContact C-N 3.28Å; H158-I160 PolarHBondContact O-N 3.46Å
159	G	93.8	Very high	95.9	Very high	47 Å²	47	38 Å²	38	49%	0.485	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-24.2	176.7	0	0	0	0	0	114.4	A155 D156 M157	A155-G159 PolarHBondContact O-N 2.83Å; D156-G159 WeakPolarHBondContact O-CA 3.35Å; D156-G159 PolarHBondContact O-N 3.32Å; D156-G159 VanDerWaalsContact O-N 3.08Å; M157-G159 PolarHBondContact O-N 3.28Å
160	I	95.6	Very high	96.1	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-112.3	-12	-177.8	69.2	164.9	0	0	0	114.1	D156 M157 H158 S162 E163 Y164 L271 I273 L370	D156-I160 PolarHBondContact O-N 3.14Å; M157-I160 WeakPolarHBondContact O-CG1 3.43Å; M157-I160 PolarHBondContact O-N 3.06Å; M157-I160 HydrophobicContact SD-CD1 4.34Å; M157-I160 HydrophobicContact SD-CG1 4.11Å; H158-I160 VanDerWaalsContact C-N 3.28Å; H158-I160 PolarHBondContact O-N 3.46Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 3.04Å; I160-E163 PolarHBondContact O-N 2.95Å; I160-Y164 VanDerWaalsContact O-CB 3.31Å; I160-Y164 WeakPolarHBondContact O-CB 3.42Å; I160-Y164 PolarHBondContact O-N 2.86Å; I160-L271 HydrophobicContact CB-CD1 3.88Å; I160-L271 HydrophobicContact CG2-CD1 3.88Å; I160-I273 HydrophobicContact CD1-CD1 4.42Å; I160-I273 HydrophobicContact CG2-CD1 4.32Å; I160-L370 HydrophobicContact CD1-CD2 3.59Å; I160-L370 HydrophobicContact CG1-CD2 4.44Å
161	L	97.8	Very high	96.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-36.6	-166.3	-175.4	63.3	0	0	0	113.3	F69 C97 V100 F101 L104 M157 H165	F69-L161 HydrophobicContact CD1-CB 4.32Å; F69-L161 HydrophobicContact CD1-CD2 4.08Å; F69-L161 HydrophobicContact CD1-CG 3.89Å; F69-L161 HydrophobicContact CE1-CG 4.26Å; C97-L161 HydrophobicContact CB-CD2 3.79Å; C97-L161 VanDerWaalsContact SG-CD2 3.54Å; V100-L161 HydrophobicContact CB-CD2 4.47Å; V100-L161 HydrophobicContact CG1-CD1 4.16Å; V100-L161 HydrophobicContact CG1-CD2 4.1Å; V100-L161 HydrophobicContact CG1-CG 4.01Å; F101-L161 HydrophobicContact CE1-CD1 4.3Å; F101-L161 HydrophobicContact CE2-CD2 4.42Å; F101-L161 HydrophobicContact CZ-CD1 4.06Å; L104-L161 HydrophobicContact CD1-CD1 4.28Å; M157-L161 WeakPolarHBondContact O-CB 3.41Å; M157-L161 PolarHBondContact O-N 3.3Å; M157-L161 HydrophobicContact SD-CD1 4.21Å; L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 2.98Å
162	S	98	Very high	96.4	Very high	39 Å²	39	48 Å²	48	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-65.7	-49.1	177.6	170.1	0	0	0	0	111.5	F69 I160 H165 Q166	F69-S162 VanDerWaalsContact CE1-CA 3.49Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 3.04Å; S162-H165 PolarHBondContact O-N 2.83Å; S162-Q166 WeakPolarHBondContact O-CG 3.36Å; S162-Q166 PolarHBondContact O-N 2.81Å
163	E	98.1	Very high	96.6	Very high	67 Å²	67	42.6 Å²	42.6	31%	0.313	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-39.2	178.8	-69.3	79.1	178.9	0	0	111.4	I160 Q166 H167 F267 L271	I160-E163 PolarHBondContact O-N 2.95Å; E163-Q166 PolarHBondContact O-N 3.37Å; E163-H167 WeakPolarHBondContact O-CB 3.37Å; E163-H167 PolarHBondContact O-N 3.07Å; E163-F267 HydrophobicContact CB-CE2 4.05Å; E163-F267 WeakPolarHBondContact O-CE2 3.34Å; E163-L271 HydrophobicContact CB-CD1 4.44Å; E163-L271 HydrophobicContact CB-CD2 3.94Å; E163-L271 HydrophobicContact CG-CD2 3.96Å
164	Y	98.5	Very high	96.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-51.2	173.4	174.7	-98.8	0	0	0	110.8	L104 F108 I160 Q166 H167 I168 L177 P178 Q179 F180 F267	L104-Y164 HydrophobicContact CD1-CD1 4.22Å; L104-Y164 HydrophobicContact CD1-CE1 3.9Å; L104-Y164 HydrophobicContact CD2-CD1 4.19Å; L104-Y164 HydrophobicContact CD2-CE1 3.76Å; L104-Y164 HydrophobicContact CG-CE1 4.49Å; F108-Y164 WeakPolarHBondContact CZ-OH 3.09Å; I160-Y164 VanDerWaalsContact O-CB 3.31Å; I160-Y164 WeakPolarHBondContact O-CB 3.42Å; I160-Y164 PolarHBondContact O-N 2.86Å; Y164-Q166 VanDerWaalsContact C-N 3.32Å; Y164-Q166 PolarHBondContact O-N 2.92Å; Y164-H167 WeakPolarHBondContact O-CB 3.27Å; Y164-H167 PolarHBondContact O-N 3.4Å; Y164-H167 VanDerWaalsContact O-N 3.07Å; Y164-I168 HydrophobicContact CD1-CG1 4.22Å; Y164-I168 HydrophobicContact CD2-CG1 4.41Å; Y164-I168 HydrophobicContact CE1-CG1 3.82Å; Y164-I168 HydrophobicContact CE2-CD1 3.96Å; Y164-I168 HydrophobicContact CE2-CG1 4.05Å; Y164-I168 WeakPolarHBondContact O-CG1 3.42Å; Y164-I168 PolarHBondContact O-N 3.21Å; Y164-L177 HydrophobicContact CE2-CB 4.44Å; Y164-L177 HydrophobicContact CE2-CD1 4.41Å; Y164-P178 PolarHBondContact OH-O 3.22Å; Y164-Q179 WeakPolarHBondContact OH-CA 3.35Å; Y164-F180 HydrophobicContact CD1-CD2 4.36Å; Y164-F180 HydrophobicContact CD2-CD2 4.38Å; Y164-F180 HydrophobicContact CD2-CE2 4.46Å; Y164-F180 HydrophobicContact CE1-CB 4.37Å; Y164-F180 AromaticContact CE1-CD2 3.81Å; Y164-F180 HydrophobicContact CE1-CD2 3.81Å; Y164-F180 AromaticContact CE2-CD2 3.82Å; Y164-F180 HydrophobicContact CE2-CD2 3.82Å; Y164-F180 HydrophobicContact CE2-CE2 4.03Å; Y164-F180 AromaticContact CZ-CD2 3.5Å; Y164-F180 VanDerWaalsContact CZ-CD2 3.5Å; Y164-F180 PolarHBondContact OH-N 3.41Å; Y164-F180 VanDerWaalsContact OH-N 3.11Å; Y164-F267 HydrophobicContact CD2-CE1 4.44Å; Y164-F267 HydrophobicContact CD2-CZ 4.43Å
165	H	98.6	Very high	96.8	Very high	19 Å²	19	42.5 Å²	42.5	9%	0.088	24%	0.236	C	C	.	.	H	α-helix	trans	-55.3	-47.3	176.4	174.7	-90.2	0	0	0	111.8	L64 F69 N103 L161 S162 H167 I168 V169	L64-H165 VanDerWaalsContact CD1-NE2 3.34Å; L64-H165 WeakPolarHBondContact CD1-NE2 3.47Å; F69-H165 HydrophobicContact CE1-CB 3.91Å; F69-H165 HydrophobicContact CZ-CB 4.11Å; N103-H165 PolarHBondContact OD1-NE2 3.39Å; L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 2.98Å; S162-H165 PolarHBondContact O-N 2.83Å; H165-H167 VanDerWaalsContact C-N 3.31Å; H165-H167 PolarHBondContact O-N 3.06Å; H165-I168 PolarHBondContact O-N 2.72Å; H165-V169 VanDerWaalsContact CE1-CG2 3.42Å; H165-V169 WeakPolarHBondContact CE1-CG2 3.36Å; H165-V169 WeakPolarHBondContact O-CG2 3.4Å; H165-V169 PolarHBondContact O-N 3.14Å
166	Q	98.1	Very high	97	Very high	91 Å²	91	40.1 Å²	40.1	43%	0.425	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-37.8	176.8	-70.7	175.9	17.9	0	0	113.1	S162 E163 Y164 V169 K170	S162-Q166 WeakPolarHBondContact O-CG 3.36Å; S162-Q166 PolarHBondContact O-N 2.81Å; E163-Q166 PolarHBondContact O-N 3.37Å; Y164-Q166 VanDerWaalsContact C-N 3.32Å; Y164-Q166 PolarHBondContact O-N 2.92Å; Q166-V169 PolarHBondContact O-N 3.27Å; Q166-K170 VanDerWaalsContact O-CG 3.3Å; Q166-K170 WeakPolarHBondContact O-CG 3.35Å; Q166-K170 PolarHBondContact O-N 2.88Å
167	H	98.4	Very high	97.2	Very high	19 Å²	19	38 Å²	38	9%	0.088	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-47.8	175	-174.6	76.7	0	0	0	111.2	E163 Y164 H165 V169 K170 C171 D264 F267	E163-H167 WeakPolarHBondContact O-CB 3.37Å; E163-H167 PolarHBondContact O-N 3.07Å; Y164-H167 WeakPolarHBondContact O-CB 3.27Å; Y164-H167 PolarHBondContact O-N 3.4Å; Y164-H167 VanDerWaalsContact O-N 3.07Å; H165-H167 VanDerWaalsContact C-N 3.31Å; H165-H167 PolarHBondContact O-N 3.06Å; H167-V169 VanDerWaalsContact C-N 3.33Å; H167-V169 PolarHBondContact O-N 3.44Å; H167-K170 PolarHBondContact O-N 3.46Å; H167-C171 PolarHBondContact O-N 2.81Å; H167-C171 PolarHBondContact O-SG 3.34Å; H167-D264 IonicContact CD2-OD1 2.94Å; H167-D264 IonicContact CE1-OD1 3Å; H167-D264 IonicContact NE2-OD1 2.99Å; H167-D264 PolarHBondContact NE2-OD1 2.79Å; H167-F267 HydrophobicContact CB-CD2 3.75Å; H167-F267 HydrophobicContact CB-CE2 3.74Å; H167-F267 HydrophobicContact CB-CG 4.3Å; H167-F267 HydrophobicContact CB-CZ 4.28Å; H167-F267 AromaticContact CE1-CG 3.93Å; H167-F267 AromaticContact CG-CD2 3.77Å; H167-F267 AromaticContact CG-CG 3.86Å; H167-F267 AromaticContact ND1-CD2 3.73Å; H167-F267 AromaticContact ND1-CG 3.72Å
168	I	98.4	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-39.8	176.9	-61.6	-49	0	0	0	111.9	L104 R107 F108 Y164 H165 H172 G173 T175	L104-I168 HydrophobicContact CD2-CB 4.19Å; L104-I168 HydrophobicContact CD2-CG1 4.13Å; L104-I168 HydrophobicContact CD2-CG2 4.12Å; R107-I168 HydrophobicContact CB-CG2 4Å; F108-I168 HydrophobicContact CD1-CG2 4.48Å; F108-I168 HydrophobicContact CE1-CD1 3.9Å; F108-I168 HydrophobicContact CE1-CG1 4.28Å; F108-I168 HydrophobicContact CE1-CG2 3.71Å; F108-I168 HydrophobicContact CZ-CB 4.44Å; F108-I168 HydrophobicContact CZ-CD1 3.7Å; F108-I168 HydrophobicContact CZ-CG1 3.78Å; F108-I168 HydrophobicContact CZ-CG2 3.74Å; Y164-I168 HydrophobicContact CD1-CG1 4.22Å; Y164-I168 HydrophobicContact CD2-CG1 4.41Å; Y164-I168 HydrophobicContact CE1-CG1 3.82Å; Y164-I168 HydrophobicContact CE2-CD1 3.96Å; Y164-I168 HydrophobicContact CE2-CG1 4.05Å; Y164-I168 WeakPolarHBondContact O-CG1 3.42Å; Y164-I168 PolarHBondContact O-N 3.21Å; H165-I168 PolarHBondContact O-N 2.72Å; I168-H172 PolarHBondContact O-N 3.26Å; I168-G173 PolarHBondContact O-N 3.41Å; I168-T175 HydrophobicContact CD1-CG2 3.63Å
169	V	97.4	Very high	97.4	Very high	47 Å²	47	35.7 Å²	35.7	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-59.6	-48.8	174.2	176.5	0	0	0	0	110.7	H165 Q166 H167 H172	H165-V169 VanDerWaalsContact CE1-CG2 3.42Å; H165-V169 WeakPolarHBondContact CE1-CG2 3.36Å; H165-V169 WeakPolarHBondContact O-CG2 3.4Å; H165-V169 PolarHBondContact O-N 3.14Å; Q166-V169 PolarHBondContact O-N 3.27Å; H167-V169 VanDerWaalsContact C-N 3.33Å; H167-V169 PolarHBondContact O-N 3.44Å; V169-H172 PolarHBondContact O-N 2.9Å
170	K	97.7	Very high	97.7	Very high	154 Å²	154	33.8 Å²	33.8	67%	0.67	17%	0.172	S	C	*	.	H	α-helix	trans	-67.8	-38.1	-176.8	-73	173.2	-177.7	179	0	113	Q166 H167 H172	Q166-K170 VanDerWaalsContact O-CG 3.3Å; Q166-K170 WeakPolarHBondContact O-CG 3.35Å; Q166-K170 PolarHBondContact O-N 2.88Å; H167-K170 PolarHBondContact O-N 3.46Å; K170-H172 VanDerWaalsContact C-N 3.3Å; K170-H172 PolarHBondContact O-ND1 3.42Å
171	C	97	Very high	97.8	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.041	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.9	179.2	74	0	0	0	0	113.7	H167 G173 S174	H167-C171 PolarHBondContact O-N 2.81Å; H167-C171 PolarHBondContact O-SG 3.34Å; C171-G173 VanDerWaalsContact C-N 3.28Å; C171-G173 PolarHBondContact O-N 2.92Å; C171-S174 WeakPolarHBondContact O-CB 3.19Å; C171-S174 PolarHBondContact O-N 3.05Å
172	H	96.6	Very high	97.8	Very high	162 Å²	162	33.5 Å²	33.5	75%	0.75	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	43	-178.4	-52.5	87.5	0	0	0	112.6	I168 V169 K170 S174	I168-H172 PolarHBondContact O-N 3.26Å; V169-H172 PolarHBondContact O-N 2.9Å; K170-H172 VanDerWaalsContact C-N 3.3Å; K170-H172 PolarHBondContact O-ND1 3.42Å; H172-S174 PolarHBondContact O-N 2.89Å; H172-S174 VanDerWaalsContact O-N 3.08Å
173	G	95.2	Very high	97.9	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-10.5	-178.2	0	0	0	0	0	115.5	I168 C171 T175	I168-G173 PolarHBondContact O-N 3.41Å; C171-G173 VanDerWaalsContact C-N 3.28Å; C171-G173 PolarHBondContact O-N 2.92Å; G173-T175 PolarHBondContact O-N 3.04Å; G173-T175 VanDerWaalsContact O-N 3.07Å
174	S	96.1	Very high	97.9	Very high	43 Å²	43	28.5 Å²	28.5	30%	0.301	14%	0.142	S	C	.	.			trans	-80.1	90.6	179.3	171.9	0	0	0	0	111.2	C171 H172 K260 R263	C171-S174 WeakPolarHBondContact O-CB 3.19Å; C171-S174 PolarHBondContact O-N 3.05Å; H172-S174 PolarHBondContact O-N 2.89Å; H172-S174 VanDerWaalsContact O-N 3.08Å; S174-K260 WeakPolarHBondContact OG-CE 3.45Å; S174-K260 PolarHBondContact OG-NZ 2.72Å; S174-R263 PolarHBondContact O-NH2 2.94Å
175	T	98.1	Very high	97.9	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.049	15%	0.148	C	C	.	.			trans	-141.7	155.8	-179.4	-176.4	0	0	0	0	111.1	F108 I168 G173 L177 D264	F108-T175 HydrophobicContact CE1-CG2 4.39Å; I168-T175 HydrophobicContact CD1-CG2 3.63Å; G173-T175 PolarHBondContact O-N 3.04Å; G173-T175 VanDerWaalsContact O-N 3.07Å; T175-L177 HydrophobicContact CG2-CB 4.16Å; T175-L177 WeakPolarHBondContact OG1-CB 3.41Å; T175-L177 WeakPolarHBondContact OG1-CG 3.5Å; T175-L177 PolarHBondContact OG1-N 2.98Å; T175-D264 PolarHBondContact OG1-OD1 2.81Å; T175-D264 PolarHBondContact OG1-OD2 2.68Å
176	L	98.3	Very high	97.8	Very high	12 Å²	12	29 Å²	29	6%	0.063	14%	0.143	C	C	.	.	S	Bend	trans	-86.9	-11	166.4	-63.4	180	0	0	0	112.1	V257 K260 L261 D264 M364 G365 L366	L176-V257 HydrophobicContact CD1-CG1 4.33Å; L176-K260 HydrophobicContact CD1-CB 4.29Å; L176-K260 HydrophobicContact CG-CB 4.03Å; L176-L261 HydrophobicContact CD1-CB 3.9Å; L176-L261 HydrophobicContact CD1-CD1 3.82Å; L176-D264 WeakPolarHBondContact CB-OD2 3.5Å; L176-D264 PolarHBondContact N-OD2 2.83Å; L176-M364 WeakPolarHBondContact CD2-O 3.28Å; L176-G365 CarbonylContact O-C 3.43Å; L176-G365 WeakPolarHBondContact O-CA 3.22Å; L176-L366 HydrophobicContact CB-CD1 4.37Å; L176-L366 HydrophobicContact CB-CG 4.18Å; L176-L366 PolarHBondContact O-N 2.96Å
177	L	98.4	Very high	97.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.127	C	C	.	.	S	Bend	trans	-61.2	157.4	175.4	-64.2	169.9	0	0	0	111.3	Y164 T175 Q179 D264 F267 L268 Y348 L366 V369	Y164-L177 HydrophobicContact CE2-CB 4.44Å; Y164-L177 HydrophobicContact CE2-CD1 4.41Å; T175-L177 HydrophobicContact CG2-CB 4.16Å; T175-L177 WeakPolarHBondContact OG1-CB 3.41Å; T175-L177 WeakPolarHBondContact OG1-CG 3.5Å; T175-L177 PolarHBondContact OG1-N 2.98Å; L177-Q179 PolarHBondContact O-N 3.45Å; L177-D264 HydrophobicContact CD1-CB 4.38Å; L177-D264 HydrophobicContact CD2-CB 4.29Å; L177-D264 HydrophobicContact CG-CB 3.99Å; L177-F267 HydrophobicContact CD1-CD1 3.66Å; L177-F267 HydrophobicContact CD1-CE1 3.83Å; L177-L268 HydrophobicContact CD2-CD1 4Å; L177-L268 HydrophobicContact CD2-CD2 3.88Å; L177-L268 HydrophobicContact CD2-CG 4.05Å; L177-Y348 PolarHBondContact O-OH 3.37Å; L177-L366 HydrophobicContact CD2-CB 4.39Å; L177-L366 HydrophobicContact CD2-CD1 3.82Å; L177-L366 HydrophobicContact CG-CD1 4.49Å; L177-V369 HydrophobicContact CD2-CG1 4Å
178	P	98	Very high	97.5	Very high	8 Å²	8	24.5 Å²	24.5	5%	0.052	13%	0.125	C	C	.	.			trans	-57	132	169.3	-22.1	33.9	0	0	0	110	Y164 F180 M198 L366 V369	Y164-P178 PolarHBondContact OH-O 3.22Å; P178-F180 HydrophobicContact CB-CD1 4.28Å; P178-F180 HydrophobicContact CB-CE1 3.72Å; P178-F180 HydrophobicContact CB-CE2 4.29Å; P178-F180 HydrophobicContact CB-CZ 3.72Å; P178-F180 HydrophobicContact CG-CE1 4.4Å; P178-F180 HydrophobicContact CG-CZ 4.07Å; P178-F180 PolarHBondContact O-N 2.84Å; P178-M198 HydrophobicContact CB-SD 4.12Å; P178-L366 WeakPolarHBondContact CD-O 3.4Å; P178-L366 VanDerWaalsContact CG-O 3.27Å; P178-L366 WeakPolarHBondContact CG-O 3.5Å; P178-V369 HydrophobicContact CG-CG2 3.85Å
179	Q	98.1	Very high	96.8	Very high	7 Å²	7	32 Å²	32	3%	0.033	16%	0.16	C	C	.	.			trans	-84.8	97.3	174.6	-66.2	-175.7	1.3	0	0	108.7	F108 Y164 L177 L181 M198 R199 Y348	F108-Q179 HydrophobicContact CD1-CB 4.16Å; F108-Q179 VanDerWaalsContact CD1-CD 3.42Å; F108-Q179 HydrophobicContact CD1-CG 3.65Å; F108-Q179 HydrophobicContact CD2-CB 3.82Å; F108-Q179 HydrophobicContact CD2-CG 4.24Å; F108-Q179 HydrophobicContact CE1-CB 4.08Å; F108-Q179 HydrophobicContact CE1-CG 3.52Å; F108-Q179 HydrophobicContact CE2-CB 3.72Å; F108-Q179 HydrophobicContact CE2-CG 4.11Å; F108-Q179 HydrophobicContact CG-CB 4.04Å; F108-Q179 HydrophobicContact CG-CG 4.02Å; F108-Q179 HydrophobicContact CZ-CB 3.85Å; F108-Q179 HydrophobicContact CZ-CG 3.76Å; Y164-Q179 WeakPolarHBondContact OH-CA 3.35Å; L177-Q179 PolarHBondContact O-N 3.45Å; Q179-L181 WeakPolarHBondContact O-CG 3.36Å; Q179-M198 CarbonylContact O-C 3.53Å; Q179-M198 WeakPolarHBondContact O-CA 3.03Å; Q179-M198 VanDerWaalsContact O-CB 3.24Å; Q179-M198 WeakPolarHBondContact O-CB 3.49Å; Q179-R199 HydrophobicContact CB-CB 3.99Å; Q179-R199 PolarHBondContact O-N 3.32Å; Q179-R199 VanDerWaalsContact O-N 3.12Å; Q179-R199 VanDerWaalsContact OE1-CD 3.27Å; Q179-Y348 WeakPolarHBondContact CG-OH 3.48Å
180	F	98.5	Very high	96.2	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.7	-178.7	-56.8	-63.7	0	0	0	111	F101 M157 Y164 P178 I196 M198 V369	F101-F180 HydrophobicContact CE1-CB 4Å; M157-F180 HydrophobicContact CE-CB 4.3Å; M157-F180 HydrophobicContact CE-CD1 3.72Å; M157-F180 HydrophobicContact CE-CD2 3.33Å; M157-F180 HydrophobicContact CE-CE1 3.73Å; M157-F180 HydrophobicContact CE-CE2 3.38Å; M157-F180 HydrophobicContact CE-CG 3.51Å; M157-F180 HydrophobicContact CE-CZ 3.57Å; M157-F180 HydrophobicContact SD-CD2 4.38Å; Y164-F180 HydrophobicContact CD1-CD2 4.36Å; Y164-F180 HydrophobicContact CD2-CD2 4.38Å; Y164-F180 HydrophobicContact CD2-CE2 4.46Å; Y164-F180 HydrophobicContact CE1-CB 4.37Å; Y164-F180 AromaticContact CE1-CD2 3.81Å; Y164-F180 HydrophobicContact CE1-CD2 3.81Å; Y164-F180 AromaticContact CE2-CD2 3.82Å; Y164-F180 HydrophobicContact CE2-CD2 3.82Å; Y164-F180 HydrophobicContact CE2-CE2 4.03Å; Y164-F180 AromaticContact CZ-CD2 3.5Å; Y164-F180 VanDerWaalsContact CZ-CD2 3.5Å; Y164-F180 PolarHBondContact OH-N 3.41Å; Y164-F180 VanDerWaalsContact OH-N 3.11Å; P178-F180 HydrophobicContact CB-CD1 4.28Å; P178-F180 HydrophobicContact CB-CE1 3.72Å; P178-F180 HydrophobicContact CB-CE2 4.29Å; P178-F180 HydrophobicContact CB-CZ 3.72Å; P178-F180 HydrophobicContact CG-CE1 4.4Å; P178-F180 HydrophobicContact CG-CZ 4.07Å; P178-F180 PolarHBondContact O-N 2.84Å; F180-I196 HydrophobicContact CB-CD1 4.5Å; F180-I196 HydrophobicContact CD1-CD1 3.35Å; F180-I196 HydrophobicContact CD1-CG1 3.97Å; F180-I196 HydrophobicContact CE1-CD1 3.69Å; F180-I196 HydrophobicContact CG-CD1 4.07Å; F180-M198 HydrophobicContact CD1-CB 4.31Å; F180-M198 HydrophobicContact CE1-SD 4.39Å; F180-V369 HydrophobicContact CE2-CG2 4.26Å; F180-V369 HydrophobicContact CZ-CG2 3.89Å
181	L	98.6	Very high	95.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-16.2	-167.8	-53.8	174.1	0	0	0	113.6	R105 F108 I110 Y115 L144 Q179 V197	R105-L181 HydrophobicContact CG-CB 3.98Å; R105-L181 HydrophobicContact CG-CD2 3.96Å; F108-L181 HydrophobicContact CD2-CD2 3.71Å; F108-L181 HydrophobicContact CE2-CD2 4.45Å; I110-L181 HydrophobicContact CD1-CD1 3.56Å; I110-L181 HydrophobicContact CD1-CD2 3.53Å; I110-L181 HydrophobicContact CD1-CG 4.18Å; Y115-L181 HydrophobicContact CD2-CB 4.3Å; Y115-L181 HydrophobicContact CD2-CD1 4.39Å; Y115-L181 HydrophobicContact CE2-CB 3.66Å; Y115-L181 HydrophobicContact CE2-CD1 4.24Å; L144-L181 HydrophobicContact CD2-CD1 3.39Å; Q179-L181 WeakPolarHBondContact O-CG 3.36Å; L181-V197 HydrophobicContact CB-CG1 4.43Å; L181-V197 PolarHBondContact N-O 3.11Å
182	G	98.6	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	149.5	176.4	0	0	0	0	0	111.2	I196 V197	G182-I196 WeakPolarHBondContact O-CA 3.36Å; G182-V197 PolarHBondContact N-O 3.32Å; G182-V197 PolarHBondContact O-N 2.94Å
183	M	98.6	Very high	95.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.2	177	-174.3	172.1	68	0	0	109.6	Y96 F101 I149 V154 M157 L195	Y96-M183 HydrophobicContact CD1-CE 4.32Å; Y96-M183 HydrophobicContact CD2-CB 4.49Å; Y96-M183 HydrophobicContact CD2-CE 4.07Å; Y96-M183 HydrophobicContact CD2-CG 4.01Å; Y96-M183 WeakPolarHBondContact CD2-O 3.36Å; Y96-M183 HydrophobicContact CG-CE 3.75Å; Y96-M183 PolarHBondContact N-O 2.71Å; F101-M183 HydrophobicContact CE2-CB 3.72Å; F101-M183 HydrophobicContact CZ-CB 3.7Å; I149-M183 HydrophobicContact CD1-SD 4.35Å; V154-M183 HydrophobicContact CB-SD 4.34Å; V154-M183 HydrophobicContact CG1-CE 3.94Å; V154-M183 HydrophobicContact CG1-SD 4.07Å; V154-M183 HydrophobicContact CG2-SD 4.12Å; M157-M183 HydrophobicContact CB-SD 3.99Å; M157-M183 HydrophobicContact CG-CE 4.17Å; M157-M183 HydrophobicContact CG-SD 3.74Å; M183-L195 WeakPolarHBondContact CA-O 3.35Å
184	Y	98.6	Very high	95.8	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.3	-167	-50.5	-78.1	0	0	0	112	F44 V48 F93 K94 E95 Y115 Y194 L195 V197	F44-Y184 HydrophobicContact CD2-CD2 4.47Å; F44-Y184 AromaticContact CE2-CD2 3.68Å; F44-Y184 HydrophobicContact CE2-CD2 3.68Å; F44-Y184 HydrophobicContact CE2-CE2 4Å; F44-Y184 HydrophobicContact CE2-CG 4.27Å; V48-Y184 HydrophobicContact CG2-CE1 4.32Å; V48-Y184 HydrophobicContact CG2-CE2 4.3Å; F93-Y184 HydrophobicContact CE1-CD1 4.05Å; F93-Y184 HydrophobicContact CE1-CE1 4.47Å; F93-Y184 HydrophobicContact CE2-CD1 4Å; F93-Y184 HydrophobicContact CE2-CG 4.32Å; F93-Y184 AromaticContact CZ-CD1 3.31Å; F93-Y184 HydrophobicContact CZ-CD1 3.31Å; F93-Y184 AromaticContact CZ-CE1 3.82Å; F93-Y184 HydrophobicContact CZ-CE1 3.82Å; F93-Y184 HydrophobicContact CZ-CG 4.06Å; K94-Y184 CarbonylContact O-C 3.54Å; K94-Y184 VanDerWaalsContact O-CA 3.26Å; K94-Y184 WeakPolarHBondContact O-CA 3.36Å; E95-Y184 HydrophobicContact CB-CD1 4.05Å; E95-Y184 HydrophobicContact CB-CE1 4.2Å; E95-Y184 HydrophobicContact CG-CD1 4.02Å; E95-Y184 HydrophobicContact CG-CE1 3.77Å; Y115-Y184 WeakPolarHBondContact CE1-OH 3.44Å; Y115-Y184 WeakPolarHBondContact OH-CE2 3.5Å; Y115-Y184 PolarHBondContact OH-OH 2.99Å; Y184-Y194 WeakPolarHBondContact O-CA 3.09Å; Y184-L195 PolarHBondContact N-O 3.28Å; Y184-L195 PolarHBondContact O-N 3.33Å; Y184-V197 HydrophobicContact CD2-CG2 4.16Å; Y184-V197 HydrophobicContact CE2-CB 4.45Å; Y184-V197 HydrophobicContact CE2-CG2 3.68Å
185	R	98.3	Very high	95.9	Very high	33 Å²	33	33.4 Å²	33.4	13%	0.125	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	164.3	179.2	-174	70.9	171.8	-7.1	109.7	F93 K94 Y96 E192 T193 Y194	F93-R185 CarbonylContact C-O 3.47Å; K94-R185 HydrophobicContact CB-CB 4.23Å; K94-R185 PolarHBondContact N-O 3.07Å; K94-R185 PolarHBondContact O-N 2.94Å; Y96-R185 HydrophobicContact CE2-CB 3.84Å; R185-E192 WeakPolarHBondContact CD-OE2 3.41Å; R185-E192 HydrophobicContact CG-CB 4.31Å; R185-E192 IonicContact CZ-OE1 3.48Å; R185-E192 IonicContact CZ-OE2 2.6Å; R185-E192 IonicContact NE-OE1 3.86Å; R185-E192 IonicContact NE-OE2 2.79Å; R185-E192 IonicContact NH1-OE1 3.99Å; R185-E192 PolarHBondContact NH1-OE1 3.33Å; R185-E192 IonicContact NH1-OE2 3.81Å; R185-E192 PolarHBondContact NH1-OE2 3.23Å; R185-T193 CarbonylContact C-O 3.57Å; R185-T193 WeakPolarHBondContact CA-O 3.33Å; R185-Y194 HydrophobicContact CB-CD1 3.9Å; R185-Y194 HydrophobicContact CB-CE1 4.11Å; R185-Y194 VanDerWaalsContact CD-CE1 3.46Å; R185-Y194 HydrophobicContact CG-CD1 3.91Å; R185-Y194 HydrophobicContact CG-CE1 3.78Å
186	V	97.6	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.4	177.9	177.2	0	0	0	0	108.4	V40 V43 F44 F93 V188 E192 T193 L195	V40-V186 HydrophobicContact CB-CG1 4.45Å; V40-V186 HydrophobicContact CG1-CB 4.13Å; V40-V186 HydrophobicContact CG1-CG1 3.83Å; V43-V186 HydrophobicContact CB-CG1 3.79Å; V43-V186 HydrophobicContact CG1-CG1 3.63Å; F44-V186 HydrophobicContact CB-CG2 4.1Å; F44-V186 HydrophobicContact CD2-CG2 4.45Å; F93-V186 HydrophobicContact CD2-CG2 4.11Å; F93-V186 HydrophobicContact CE2-CG2 4.34Å; V186-V188 HydrophobicContact CG1-CG2 3.99Å; V186-E192 WeakPolarHBondContact O-CA 3.44Å; V186-T193 PolarHBondContact N-O 2.99Å; V186-T193 PolarHBondContact O-N 3.28Å; V186-L195 HydrophobicContact CG2-CD1 3.98Å
187	G	96.1	Very high	95.9	Very high	7 Å²	7	32.6 Å²	32.6	7%	0.072	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.8	177.9	0	0	0	0	0	111.2	F91 K92 E191	F91-G187 CarbonylContact C-O 3.53Å; F91-G187 WeakPolarHBondContact CA-O 3.37Å; F91-G187 WeakPolarHBondContact CB-O 3.42Å; K92-G187 PolarHBondContact N-O 3.05Å; K92-G187 PolarHBondContact O-N 2.77Å; G187-E191 CarbonylContact C-O 3.56Å; G187-E191 VanDerWaalsContact CA-O 3.25Å; G187-E191 WeakPolarHBondContact CA-O 3.24Å
188	V	92.9	Very high	95.8	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.1	178	-177.3	0	0	0	0	108.4	P39 V40 V43 P88 F91 V186 N190 E191	P39-V188 HydrophobicContact CB-CG1 3.85Å; V40-V188 HydrophobicContact CG2-CG2 4.3Å; V43-V188 HydrophobicContact CB-CG2 4.25Å; V43-V188 HydrophobicContact CG2-CG2 3.83Å; P88-V188 HydrophobicContact CB-CG1 4.2Å; P88-V188 HydrophobicContact CG-CG1 3.92Å; P88-V188 HydrophobicContact CG-CG2 4.48Å; F91-V188 HydrophobicContact CB-CG2 4.41Å; V186-V188 HydrophobicContact CG1-CG2 3.99Å; V188-N190 PolarHBondContact O-N 3.39Å; V188-E191 PolarHBondContact N-O 2.8Å; V188-E191 PolarHBondContact O-N 2.94Å
189	E	85.4	Confident	95.8	Very high	159 Å²	159	34.5 Å²	34.5	74%	0.743	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	30.8	174.1	-67.9	177.9	-175.9	0	0	115.1	E191	E189-E191 VanDerWaalsContact C-N 3.27Å; E189-E191 PolarHBondContact O-N 3.34Å
190	N	82.8	Confident	95.6	Very high	161 Å²	161	35.4 Å²	35.4	86%	0.861	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	4.2	-175.1	-53.6	-46.2	0	0	0	116.3	V188	V188-N190 PolarHBondContact O-N 3.39Å
191	E	91.9	Very high	95.4	Very high	147 Å²	147	35.9 Å²	35.9	69%	0.687	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.8	166.8	-61.7	-169.1	166.7	0	0	110.2	G187 V188 E189	G187-E191 CarbonylContact C-O 3.56Å; G187-E191 VanDerWaalsContact CA-O 3.25Å; G187-E191 WeakPolarHBondContact CA-O 3.24Å; V188-E191 PolarHBondContact N-O 2.8Å; V188-E191 PolarHBondContact O-N 2.94Å; E189-E191 VanDerWaalsContact C-N 3.27Å; E189-E191 PolarHBondContact O-N 3.34Å
192	E	94.8	Very high	95.1	Very high	78 Å²	78	37.7 Å²	37.7	36%	0.364	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.8	176.2	-61.7	-165.4	155.2	0	0	109.6	R185 V186 Y194	R185-E192 WeakPolarHBondContact CD-OE2 3.41Å; R185-E192 HydrophobicContact CG-CB 4.31Å; R185-E192 IonicContact CZ-OE1 3.48Å; R185-E192 IonicContact CZ-OE2 2.6Å; R185-E192 IonicContact NE-OE1 3.86Å; R185-E192 IonicContact NE-OE2 2.79Å; R185-E192 IonicContact NH1-OE1 3.99Å; R185-E192 PolarHBondContact NH1-OE1 3.33Å; R185-E192 IonicContact NH1-OE2 3.81Å; R185-E192 PolarHBondContact NH1-OE2 3.23Å; V186-E192 WeakPolarHBondContact O-CA 3.44Å; E192-Y194 HydrophobicContact CB-CE2 4.46Å; E192-Y194 PolarHBondContact OE2-OH 2.94Å
193	T	95.9	Very high	94.8	Very high	16 Å²	16	38.2 Å²	38.2	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.7	175.2	-49.5	0	0	0	0	109.3	V40 Q148 R185 V186 L195	V40-T193 HydrophobicContact CG1-CG2 4.25Å; Q148-T193 HydrophobicContact CG-CG2 3.91Å; R185-T193 CarbonylContact C-O 3.57Å; R185-T193 WeakPolarHBondContact CA-O 3.33Å; V186-T193 PolarHBondContact N-O 2.99Å; V186-T193 PolarHBondContact O-N 3.28Å; T193-L195 HydrophobicContact CG2-CD2 3.93Å; T193-L195 HydrophobicContact CG2-CG 4.24Å
194	Y	97.2	Very high	94.2	Very high	43 Å²	43	38.9 Å²	38.9	17%	0.169	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.1	175.7	-54.1	-94.8	0	0	0	109.3	Q148 I149 V154 Y184 R185 E192	Q148-Y194 WeakPolarHBondContact CA-O 3.27Å; I149-Y194 PolarHBondContact N-O 3.15Å; V154-Y194 HydrophobicContact CG2-CD1 3.71Å; V154-Y194 HydrophobicContact CG2-CG 4.01Å; Y184-Y194 WeakPolarHBondContact O-CA 3.09Å; R185-Y194 HydrophobicContact CB-CD1 3.9Å; R185-Y194 HydrophobicContact CB-CE1 4.11Å; R185-Y194 VanDerWaalsContact CD-CE1 3.46Å; R185-Y194 HydrophobicContact CG-CD1 3.91Å; R185-Y194 HydrophobicContact CG-CE1 3.78Å; E192-Y194 HydrophobicContact CB-CE2 4.46Å; E192-Y194 PolarHBondContact OE2-OH 2.94Å
195	L	97.5	Very high	93.7	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.5	-173.7	-60.5	171.8	0	0	0	109.1	F44 I146 K147 Q148 M183 Y184 V186 T193	F44-L195 HydrophobicContact CB-CD1 4.19Å; F44-L195 HydrophobicContact CD2-CD1 3.51Å; F44-L195 HydrophobicContact CE2-CD1 4.08Å; F44-L195 HydrophobicContact CG-CD1 3.91Å; I146-L195 HydrophobicContact CG2-CB 4.05Å; I146-L195 HydrophobicContact CG2-CD1 4.44Å; I146-L195 HydrophobicContact CG2-CD2 4.1Å; I146-L195 HydrophobicContact CG2-CG 4.43Å; K147-L195 WeakPolarHBondContact O-CA 3.29Å; Q148-L195 HydrophobicContact CB-CD2 4.15Å; M183-L195 WeakPolarHBondContact CA-O 3.35Å; Y184-L195 PolarHBondContact N-O 3.28Å; Y184-L195 PolarHBondContact O-N 3.33Å; V186-L195 HydrophobicContact CG2-CD1 3.98Å; T193-L195 HydrophobicContact CG2-CD2 3.93Å; T193-L195 HydrophobicContact CG2-CG 4.24Å
196	I	97.8	Very high	93.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.9	168.2	-164.5	165.4	0	0	0	109.4	I146 K147 I149 M157 F180 G182	I146-I196 WeakPolarHBondContact CA-O 3.4Å; K147-I196 HydrophobicContact CB-CG2 3.97Å; K147-I196 PolarHBondContact N-O 3.49Å; K147-I196 PolarHBondContact O-N 2.92Å; I149-I196 HydrophobicContact CD1-CB 4.05Å; I149-I196 HydrophobicContact CD1-CG2 4.38Å; I149-I196 HydrophobicContact CG2-CB 4.47Å; I149-I196 HydrophobicContact CG2-CG2 3.67Å; M157-I196 HydrophobicContact CE-CD1 3.34Å; F180-I196 HydrophobicContact CB-CD1 4.5Å; F180-I196 HydrophobicContact CD1-CD1 3.35Å; F180-I196 HydrophobicContact CD1-CG1 3.97Å; F180-I196 HydrophobicContact CE1-CD1 3.69Å; F180-I196 HydrophobicContact CG-CD1 4.07Å; G182-I196 WeakPolarHBondContact O-CA 3.36Å
197	V	98.4	Very high	93	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.7	176.2	-177	0	0	0	0	108.8	F44 Y115 L119 L144 V145 I146 L181 G182 Y184	F44-V197 HydrophobicContact CE2-CG2 4.21Å; F44-V197 HydrophobicContact CZ-CG2 3.8Å; Y115-V197 HydrophobicContact CE2-CB 4.35Å; Y115-V197 HydrophobicContact CE2-CG1 3.71Å; Y115-V197 WeakPolarHBondContact OH-CB 3.4Å; L119-V197 HydrophobicContact CD1-CG1 4.21Å; L119-V197 HydrophobicContact CD1-CG2 4.29Å; L119-V197 HydrophobicContact CD2-CG1 4.23Å; L144-V197 HydrophobicContact CB-CG1 4.35Å; L144-V197 HydrophobicContact CD1-CG1 4.26Å; V145-V197 WeakPolarHBondContact O-CA 3.47Å; I146-V197 HydrophobicContact CG1-CG2 3.95Å; I146-V197 HydrophobicContact CG2-CG2 4.24Å; L181-V197 HydrophobicContact CB-CG1 4.43Å; L181-V197 PolarHBondContact N-O 3.11Å; G182-V197 PolarHBondContact N-O 3.32Å; G182-V197 PolarHBondContact O-N 2.94Å; Y184-V197 HydrophobicContact CD2-CG2 4.16Å; Y184-V197 HydrophobicContact CE2-CB 4.45Å; Y184-V197 HydrophobicContact CE2-CG2 3.68Å
198	M	97.5	Very high	92.9	Very high	33 Å²	33	47.2 Å²	47.2	16%	0.163	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.2	177.7	56.9	-167.2	172.7	0	0	111.2	V145 K147 P178 Q179 F180	V145-M198 HydrophobicContact CB-CE 4.39Å; V145-M198 HydrophobicContact CB-CG 4.2Å; V145-M198 HydrophobicContact CG1-CE 3.76Å; V145-M198 HydrophobicContact CG1-CG 4.49Å; V145-M198 PolarHBondContact N-O 2.88Å; V145-M198 PolarHBondContact O-N 2.65Å; K147-M198 HydrophobicContact CB-CE 3.99Å; K147-M198 HydrophobicContact CD-CE 4.13Å; P178-M198 HydrophobicContact CB-SD 4.12Å; Q179-M198 CarbonylContact O-C 3.53Å; Q179-M198 WeakPolarHBondContact O-CA 3.03Å; Q179-M198 VanDerWaalsContact O-CB 3.24Å; Q179-M198 WeakPolarHBondContact O-CB 3.49Å; F180-M198 HydrophobicContact CD1-CB 4.31Å; F180-M198 HydrophobicContact CE1-SD 4.39Å
199	R	96.7	Very high	93	Very high	17 Å²	17	47.5 Å²	47.5	6%	0.064	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	141.1	173.7	-170.3	-177.8	-78.2	-108.5	3.8	110	F108 I110 Q179 Y344 V345	F108-R199 PolarHBondContact O-NH2 2.76Å; I110-R199 VanDerWaalsContact CG1-NH2 3.27Å; Q179-R199 HydrophobicContact CB-CB 3.99Å; Q179-R199 PolarHBondContact O-N 3.32Å; Q179-R199 VanDerWaalsContact O-N 3.12Å; Q179-R199 VanDerWaalsContact OE1-CD 3.27Å; R199-Y344 PolarHBondContact NH1-O 2.99Å; R199-V345 PolarHBondContact NH1-O 3.04Å
200	N	94	Very high	93.5	Very high	25 Å²	25	42.9 Å²	42.9	13%	0.134	21%	0.206	C	C	.	.			trans	-66.8	134	171	-168.3	-0.7	0	0	0	109.9	R142 T143 V145 F202	R142-N200 WeakPolarHBondContact O-CB 3.4Å; R142-N200 PolarHBondContact O-ND2 3.45Å; T143-N200 WeakPolarHBondContact O-CB 3.34Å; T143-N200 PolarHBondContact O-N 3.13Å; V145-N200 HydrophobicContact CG2-CB 3.85Å; N200-F202 PolarHBondContact ND2-O 3.31Å; N200-F202 PolarHBondContact OD1-N 2.98Å; N200-F202 VanDerWaalsContact OD1-N 3.1Å
201	M	93.6	Very high	94.2	Very high	18 Å²	18	35.8 Å²	35.8	9%	0.089	17%	0.168	C	C	.	.	S	Bend	trans	-79.1	-28.3	178.3	-65.5	176.6	59.8	0	0	112.4	L279 Y348 G365 I367	M201-L279 HydrophobicContact CE-CB 3.82Å; M201-L279 HydrophobicContact CE-CD2 4.16Å; M201-L279 HydrophobicContact CE-CG 4.42Å; M201-L279 HydrophobicContact SD-CB 4.48Å; M201-L279 HydrophobicContact SD-CD2 4.01Å; M201-Y348 HydrophobicContact CB-CD2 4.17Å; M201-Y348 HydrophobicContact CB-CE2 4.41Å; M201-Y348 HydrophobicContact CG-CD2 4.21Å; M201-Y348 HydrophobicContact CG-CE2 3.97Å; M201-G365 VanDerWaalsContact CE-N 3.28Å; M201-G365 WeakPolarHBondContact CE-O 3.32Å; M201-I367 HydrophobicContact CE-CG2 4.01Å; M201-I367 HydrophobicContact SD-CG2 3.32Å; M201-I367 WeakPolarHBondContact SD-CG2 3.33Å
202	F	94.1	Very high	94.4	Very high	38 Å²	38	28.9 Å²	28.9	17%	0.167	14%	0.135	C	C	.	.	S	Bend	trans	-90.9	156.7	175.9	-56.6	-34.4	0	0	0	110.5	N200 V208 K211 L279 F363	N200-F202 PolarHBondContact ND2-O 3.31Å; N200-F202 PolarHBondContact OD1-N 2.98Å; N200-F202 VanDerWaalsContact OD1-N 3.1Å; F202-V208 HydrophobicContact CB-CG2 3.94Å; F202-V208 HydrophobicContact CD1-CG2 3.88Å; F202-V208 HydrophobicContact CD2-CG2 4.13Å; F202-V208 HydrophobicContact CE1-CG2 4.42Å; F202-V208 HydrophobicContact CG-CG2 3.72Å; F202-K211 HydrophobicContact CE2-CD 3.94Å; F202-K211 HydrophobicContact CZ-CD 3.92Å; F202-K211 HydrophobicContact CZ-CG 4.05Å; F202-L279 HydrophobicContact CE1-CD2 4.05Å; F202-L279 HydrophobicContact CE1-CG 4.11Å; F202-L279 HydrophobicContact CE2-CD2 4.26Å; F202-L279 HydrophobicContact CZ-CD1 4.14Å; F202-L279 HydrophobicContact CZ-CD2 3.6Å; F202-L279 HydrophobicContact CZ-CG 3.8Å; F202-F363 HydrophobicContact CD1-CB 3.75Å; F202-F363 HydrophobicContact CD1-CD2 4.47Å; F202-F363 HydrophobicContact CD1-CG 4.21Å; F202-F363 HydrophobicContact CE1-CB 4.28Å
203	S	90.6	Very high	94.4	Very high	11 Å²	11	26.2 Å²	26.2	8%	0.077	12%	0.124	C	C	.	.			trans	-62.4	146.2	178	-179.2	0	0	0	0	111.6	R205 L206 D346 F363	S203-R205 PolarHBondContact O-N 3.48Å; S203-R205 PolarHBondContact OG-N 2.95Å; S203-L206 PolarHBondContact OG-N 3.46Å; S203-D346 WeakPolarHBondContact CA-OD1 3.28Å; S203-D346 VanDerWaalsContact CB-OD2 3.29Å; S203-D346 WeakPolarHBondContact CB-OD2 3.29Å; S203-D346 VanDerWaalsContact OG-CG 3.31Å; S203-D346 PolarHBondContact OG-OD1 2.89Å; S203-D346 PolarHBondContact OG-OD2 2.96Å; S203-F363 VanDerWaalsContact CB-CZ 3.4Å
204	H	85.7	Confident	94.4	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.06	12%	0.119	C	C	.	.	S	Bend	trans	-70.4	-17.7	168.1	66.8	-67.1	0	0	0	113.1	D141 R142 T143 M330 V345 D346	D141-H204 WeakPolarHBondContact O-CB 3.1Å; R142-H204 HydrophobicContact CB-CB 4.12Å; R142-H204 VanDerWaalsContact CZ-O 3.25Å; R142-H204 PolarHBondContact NE-O 3.36Å; R142-H204 PolarHBondContact NH2-O 3.47Å; T143-H204 HydrophobicContact CG2-CB 4.1Å; H204-M330 VanDerWaalsContact CD2-SD 3.51Å; H204-M330 PolarHBondContact NE2-SD 2.92Å; H204-V345 WeakPolarHBondContact ND1-CG1 3.39Å; H204-D346 IonicContact CE1-OD1 2.98Å; H204-D346 IonicContact CE1-OD2 3.01Å; H204-D346 IonicContact ND1-OD1 2.72Å; H204-D346 PolarHBondContact ND1-OD1 3.31Å; H204-D346 IonicContact ND1-OD2 3.73Å
205	R	88.4	Confident	94.3	Very high	106 Å²	106	25 Å²	25	40%	0.4	12%	0.117	S	C	.	.	S	Bend	trans	-115.6	-50.1	-178.5	-77.2	175.6	76.2	-116	4	113.4	S203 V207 L336	S203-R205 PolarHBondContact O-N 3.48Å; S203-R205 PolarHBondContact OG-N 2.95Å; R205-V207 PolarHBondContact O-N 3.01Å; R205-L336 VanDerWaalsContact NH1-CB 3.29Å; R205-L336 PolarHBondContact NH2-O 3.16Å
206	L	90.9	Very high	93.9	Very high	17 Å²	17	24.9 Å²	24.9	9%	0.089	12%	0.118	C	C	.	.	S	Bend	trans	-78.6	118.3	-172.7	-55.8	-177.5	0	0	0	111.1	S203 H283 F341 V361 F363	S203-L206 PolarHBondContact OG-N 3.46Å; L206-H283 HydrophobicContact CB-CB 4.31Å; L206-F341 HydrophobicContact CD1-CB 4.05Å; L206-F341 HydrophobicContact CD1-CD1 4.27Å; L206-V361 HydrophobicContact CD1-CB 4.26Å; L206-V361 HydrophobicContact CD1-CG1 4.19Å; L206-V361 HydrophobicContact CD1-CG2 4.13Å; L206-F363 HydrophobicContact CB-CE2 4.44Å; L206-F363 HydrophobicContact CB-CZ 4.04Å; L206-F363 HydrophobicContact CD1-CZ 4.15Å
207	V	91.1	Very high	93.2	Very high	79 Å²	79	24.8 Å²	24.8	48%	0.479	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-68.9	131.4	-178.8	-179.9	0	0	0	0	110.7	R205 H283	R205-V207 PolarHBondContact O-N 3.01Å; V207-H283 WeakPolarHBondContact O-CB 3.22Å; V207-H283 PolarHBondContact O-ND1 3.02Å
208	V	93.9	Very high	92.2	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.085	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-84.6	121.6	175.1	175.4	0	0	0	0	109.2	F202 R210 K211 L232 F363	F202-V208 HydrophobicContact CB-CG2 3.94Å; F202-V208 HydrophobicContact CD1-CG2 3.88Å; F202-V208 HydrophobicContact CD2-CG2 4.13Å; F202-V208 HydrophobicContact CE1-CG2 4.42Å; F202-V208 HydrophobicContact CG-CG2 3.72Å; V208-R210 WeakPolarHBondContact CG1-O 3.43Å; V208-K211 HydrophobicContact CG1-CB 4.44Å; V208-L232 HydrophobicContact CB-CD2 4.36Å; V208-L232 HydrophobicContact CG1-CD2 4.31Å; V208-L232 WeakPolarHBondContact O-CD1 3.23Å; V208-L232 WeakPolarHBondContact O-CD2 3.3Å; V208-F363 HydrophobicContact CG2-CD2 4.18Å; V208-F363 HydrophobicContact CG2-CE2 4.42Å
209	H	95.1	Very high	91.3	Very high	16 Å²	16	28.1 Å²	28.1	7%	0.074	14%	0.137	C	C	.	.			trans	-98.7	-22.7	-179.8	-50.9	126.2	0	0	0	113.1	L232 I282 H283 D284 E291	H209-L232 WeakPolarHBondContact O-CD1 3.45Å; H209-I282 PolarHBondContact N-O 3.12Å; H209-H283 AromaticContact CE1-CE1 3.95Å; H209-H283 AromaticContact CE1-ND1 3.5Å; H209-D284 PolarHBondContact CE1-N 2.81Å; H209-D284 PolarHBondContact CE1-O 2.81Å; H209-D284 WeakPolarHBondContact ND1-CB 3.43Å; H209-D284 PolarHBondContact ND1-N 3.36Å; H209-D284 PolarHBondContact ND1-O 3.27Å; H209-E291 IonicContact NE2-OE2 2.8Å
210	R	96	Very high	90.4	Very high	61 Å²	61	32.1 Å²	32.1	23%	0.23	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.7	175.8	-63.1	177.1	-84.2	-126.9	-6.5	110.2	V208 Y212 G281 I282 D284 E360	V208-R210 WeakPolarHBondContact CG1-O 3.43Å; R210-Y212 HydrophobicContact CB-CE2 4.06Å; R210-G281 CarbonylContact O-C 3.54Å; R210-I282 HydrophobicContact CB-CB 4.16Å; R210-I282 HydrophobicContact CB-CD1 4.4Å; R210-I282 HydrophobicContact CB-CG1 4.43Å; R210-I282 PolarHBondContact N-O 3.08Å; R210-I282 PolarHBondContact O-N 2.96Å; R210-D284 IonicContact NH2-OD2 3.34Å; R210-D284 PolarHBondContact NH2-OD2 3.27Å; R210-E360 IonicContact CZ-OE1 3.63Å; R210-E360 IonicContact NH2-OE1 3.38Å; R210-E360 PolarHBondContact NH2-OE1 3.42Å
211	K	96.1	Very high	90.1	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.057	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.3	-175.3	-172.2	173.9	55.2	-178.2	0	110.8	D129 F202 V208 L232 T234 Y235 L279 L280	D129-K211 VanDerWaalsContact CG-NZ 3.27Å; D129-K211 IonicContact OD2-NZ 3.89Å; D129-K211 PolarHBondContact OD2-NZ 3.27Å; F202-K211 HydrophobicContact CE2-CD 3.94Å; F202-K211 HydrophobicContact CZ-CD 3.92Å; F202-K211 HydrophobicContact CZ-CG 4.05Å; V208-K211 HydrophobicContact CG1-CB 4.44Å; K211-L232 HydrophobicContact CB-CD1 4.5Å; K211-L232 PolarHBondContact NZ-O 3.22Å; K211-T234 WeakPolarHBondContact CE-OG1 3.49Å; K211-T234 HydrophobicContact CG-CG2 4.34Å; K211-T234 PolarHBondContact NZ-OG1 3.47Å; K211-Y235 PolarHBondContact O-N 3Å; K211-L279 HydrophobicContact CD-CD1 4.42Å; K211-L279 HydrophobicContact CG-CD1 4.01Å; K211-L280 CarbonylContact C-O 3.52Å; K211-L280 WeakPolarHBondContact CA-O 3.3Å
212	Y	96.8	Very high	90	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.7	179.7	-60.3	-93.7	0	0	0	111	R210 Y235 F240 Q245 L279 L280 I282	R210-Y212 HydrophobicContact CB-CE2 4.06Å; Y212-Y235 CarbonylContact C-O 3.6Å; Y212-Y235 VanDerWaalsContact CA-O 3.29Å; Y212-Y235 WeakPolarHBondContact CA-O 3.49Å; Y212-Y235 HydrophobicContact CD1-CG 4.35Å; Y212-Y235 VanDerWaalsContact CE1-CB 3.46Å; Y212-Y235 HydrophobicContact CE1-CD2 4.05Å; Y212-Y235 HydrophobicContact CE1-CG 4.05Å; Y212-F240 HydrophobicContact CD1-CB 3.82Å; Y212-F240 AromaticContact CD1-CD2 3.68Å; Y212-F240 HydrophobicContact CD1-CD2 3.68Å; Y212-F240 HydrophobicContact CD1-CG 4.26Å; Y212-F240 HydrophobicContact CD2-CD2 4.16Å; Y212-F240 HydrophobicContact CE1-CB 3.96Å; Y212-F240 AromaticContact CE1-CD2 3.88Å; Y212-F240 HydrophobicContact CE1-CD2 3.88Å; Y212-F240 HydrophobicContact CE1-CG 4.38Å; Y212-F240 HydrophobicContact CE2-CD2 4.32Å; Y212-F240 AromaticContact CG-CD2 3.85Å; Y212-F240 HydrophobicContact CG-CD2 3.85Å; Y212-Q245 HydrophobicContact CE2-CG 3.99Å; Y212-Q245 PolarHBondContact OH-OE1 3.43Å; Y212-L279 WeakPolarHBondContact O-CA 3.49Å; Y212-L280 HydrophobicContact CD2-CD2 4.24Å; Y212-L280 PolarHBondContact N-O 3.41Å; Y212-L280 PolarHBondContact O-N 3.19Å; Y212-I282 HydrophobicContact CD2-CD1 4.32Å; Y212-I282 HydrophobicContact CE2-CD1 3.95Å
213	D	95.9	Very high	89.8	Confident	22 Å²	22	34.8 Å²	34.8	12%	0.118	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.9	165.1	172.9	-66.9	0	0	0	107.2	R221 T234 Y235 K236 S277	D213-R221 VanDerWaalsContact C-NH2 3.32Å; D213-R221 PolarHBondContact O-NH2 2.85Å; D213-R221 IonicContact OD1-CZ 3.65Å; D213-R221 IonicContact OD1-NH1 2.67Å; D213-R221 PolarHBondContact OD1-NH1 2.66Å; D213-R221 IonicContact OD1-NH2 3.13Å; D213-R221 PolarHBondContact OD1-NH2 3.07Å; D213-T234 HydrophobicContact CB-CG2 4.02Å; D213-Y235 PolarHBondContact N-O 3.03Å; D213-K236 WeakPolarHBondContact O-CA 3.41Å; D213-S277 VanDerWaalsContact CG-CB 3.49Å; D213-S277 WeakPolarHBondContact OD1-CB 3.27Å; D213-S277 PolarHBondContact OD1-OG 3.42Å; D213-S277 VanDerWaalsContact OD2-CB 3.25Å; D213-S277 WeakPolarHBondContact OD2-CB 3.27Å; D213-S277 PolarHBondContact OD2-OG 3.16Å
214	L	96	Very high	89.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.4	-172.7	-58	177.8	0	0	0	110.8	F240 S277 L278 L280 F409 I410 I413	L214-F240 HydrophobicContact CD1-CD2 4.29Å; L214-F240 HydrophobicContact CD1-CE2 4.4Å; L214-F240 HydrophobicContact CD2-CB 3.97Å; L214-F240 HydrophobicContact CD2-CD2 4.17Å; L214-F240 HydrophobicContact CD2-CG 4.12Å; L214-S277 CarbonylContact O-C 3.54Å; L214-S277 VanDerWaalsContact O-CA 3.28Å; L214-S277 WeakPolarHBondContact O-CA 3.37Å; L214-L278 HydrophobicContact CB-CB 4.42Å; L214-L278 PolarHBondContact N-O 2.94Å; L214-L278 PolarHBondContact O-N 3.02Å; L214-L280 HydrophobicContact CD1-CD2 4.43Å; L214-F409 HydrophobicContact CB-CE1 4.04Å; L214-F409 HydrophobicContact CD1-CE1 4.25Å; L214-F409 HydrophobicContact CD2-CE1 4.09Å; L214-F409 HydrophobicContact CD2-CZ 4.42Å; L214-F409 HydrophobicContact CG-CE1 4.35Å; L214-I410 HydrophobicContact CB-CD1 4.06Å; L214-I410 HydrophobicContact CD1-CD1 4.26Å; L214-I413 HydrophobicContact CD1-CD1 4.19Å; L214-I413 HydrophobicContact CD1-CG2 4.41Å
215	K	93.9	Very high	90.1	Very high	32 Å²	32	42.8 Å²	42.8	14%	0.139	23%	0.227	C	C	.	.			trans	-124.4	-6.2	-179.5	-73.8	-168.8	-177	-165.8	0	113.7	S217 D237 D275 S277	K215-S217 VanDerWaalsContact C-N 3.25Å; K215-S217 PolarHBondContact O-N 3.26Å; K215-D237 PolarHBondContact N-OD1 2.87Å; K215-D237 PolarHBondContact N-OD2 3.43Å; K215-D275 VanDerWaalsContact CE-O 3.26Å; K215-D275 WeakPolarHBondContact CE-O 3.43Å; K215-D275 PolarHBondContact NZ-O 2.86Å; K215-S277 WeakPolarHBondContact CE-OG 3.34Å; K215-S277 WeakPolarHBondContact CG-OG 3.41Å
216	G	89	Confident	90.1	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	25%	0.245	C	C	.	.	S	Bend	trans	69.4	19.2	-173.6	0	0	0	0	0	114.5	D237 R405	G216-D237 WeakPolarHBondContact CA-OD1 3.31Å; G216-D237 PolarHBondContact N-OD1 3.46Å; G216-R405 WeakPolarHBondContact O-CD 3.5Å; G216-R405 WeakPolarHBondContact O-CG 3.39Å; G216-R405 PolarHBondContact O-NE 2.92Å
217	S	84.1	Confident	90	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.			trans	-116.1	150.4	173.3	57.4	0	0	0	0	109.7	K215 R221 D237	K215-S217 VanDerWaalsContact C-N 3.25Å; K215-S217 PolarHBondContact O-N 3.26Å; S217-R221 VanDerWaalsContact O-CB 3.29Å; S217-R221 WeakPolarHBondContact O-CB 3.4Å; S217-R221 WeakPolarHBondContact O-CG 3.37Å; S217-D237 WeakPolarHBondContact O-CB 3.21Å
218	L	77.7	Confident	90	Very high	55 Å²	55	48.2 Å²	48.2	29%	0.288	24%	0.244	S	C	.	.			trans	-104.4	-19.8	-177.1	-56.8	174.7	0	0	0	113.3	S220 M238	L218-S220 PolarHBondContact O-N 2.95Å; L218-M238 HydrophobicContact CB-SD 3.87Å; L218-M238 HydrophobicContact CD2-SD 3.72Å; L218-M238 HydrophobicContact CG-SD 4.28Å
219	V	77.2	Confident	89.9	Confident	49 Å²	49	53.7 Å²	53.7	30%	0.297	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	117.7	-176	-177.1	0	0	0	0	111	R221	V219-R221 VanDerWaalsContact C-N 3.25Å; V219-R221 WeakPolarHBondContact O-CG 3.32Å; V219-R221 PolarHBondContact O-N 2.81Å
220	S	78.4	Confident	89.6	Confident	101 Å²	101	55 Å²	55	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	35.1	-178.3	-56	0	0	0	0	113.6	L218	L218-S220 PolarHBondContact O-N 2.95Å
221	R	87.4	Confident	89.1	Confident	24 Å²	24	61.7 Å²	61.7	9%	0.091	32%	0.316	C	S	.	.			trans	-113.4	48.5	-177.7	-67.7	-65.8	-61.8	177.3	-3.6	112.1	D213 S217 V219 K236 D237 M238	D213-R221 VanDerWaalsContact C-NH2 3.32Å; D213-R221 PolarHBondContact O-NH2 2.85Å; D213-R221 IonicContact OD1-CZ 3.65Å; D213-R221 IonicContact OD1-NH1 2.67Å; D213-R221 PolarHBondContact OD1-NH1 2.66Å; D213-R221 IonicContact OD1-NH2 3.13Å; D213-R221 PolarHBondContact OD1-NH2 3.07Å; S217-R221 VanDerWaalsContact O-CB 3.29Å; S217-R221 WeakPolarHBondContact O-CB 3.4Å; S217-R221 WeakPolarHBondContact O-CG 3.37Å; V219-R221 VanDerWaalsContact C-N 3.25Å; V219-R221 WeakPolarHBondContact O-CG 3.32Å; V219-R221 PolarHBondContact O-N 2.81Å; R221-K236 VanDerWaalsContact C-CB 3.45Å; R221-K236 HydrophobicContact CB-CB 4.38Å; R221-K236 CarbonylContact O-C 3.59Å; R221-K236 WeakPolarHBondContact O-CB 3.34Å; R221-D237 HydrophobicContact CB-CB 4.1Å; R221-D237 IonicContact CZ-OD2 3.37Å; R221-D237 IonicContact NE-OD2 2.85Å; R221-D237 PolarHBondContact NE-OD2 3.2Å; R221-D237 IonicContact NH2-OD2 3.79Å; R221-D237 PolarHBondContact NH2-OD2 3.44Å; R221-D237 PolarHBondContact O-N 3.49Å; R221-M238 VanDerWaalsContact O-CB 3.27Å; R221-M238 WeakPolarHBondContact O-CB 3.49Å; R221-M238 PolarHBondContact O-N 2.76Å
222	E	91.1	Very high	88.8	Confident	110 Å²	110	62.5 Å²	62.5	51%	0.514	32%	0.321	S	S	.	.	S	Bend	trans	-118.3	152.1	165.3	63.7	-169.1	170.3	0	0	110.2	K236 M238 D239	E222-K236 WeakPolarHBondContact O-CD 3.42Å; E222-K236 PolarHBondContact O-NZ 3.33Å; E222-M238 HydrophobicContact CB-CB 4.27Å; E222-D239 WeakPolarHBondContact CA-OD2 3.48Å
223	A	90.5	Very high	88.6	Confident	3 Å²	3	63 Å²	63	3%	0.025	32%	0.324	C	S	.	.			trans	-64.5	136.8	171.1	0	0	0	0	0	109.9	E227 R228 Y235 D239	A223-E227 HydrophobicContact CB-CB 4.38Å; A223-E227 HydrophobicContact CB-CG 4.36Å; A223-R228 HydrophobicContact CB-CG 3.86Å; A223-R228 PolarHBondContact O-NE 3.31Å; A223-Y235 HydrophobicContact CB-CD1 4.02Å; A223-D239 PolarHBondContact N-OD2 2.89Å
224	S	91.4	Very high	88.5	Confident	65 Å²	65	63.6 Å²	63.6	46%	0.455	33%	0.329	S	S	.	.			trans	-71.1	158.3	175.6	65.6	0	0	0	0	110.5	K226 E227 R228	S224-K226 PolarHBondContact O-N 2.88Å; S224-E227 WeakPolarHBondContact O-CA 3.25Å; S224-E227 WeakPolarHBondContact O-CB 3.2Å; S224-E227 PolarHBondContact O-N 3.09Å; S224-E227 PolarHBondContact OG-N 3.37Å; S224-R228 WeakPolarHBondContact O-CG 3.36Å; S224-R228 PolarHBondContact O-N 3.14Å
225	D	90.6	Very high	88.5	Confident	127 Å²	127	66.4 Å²	66.4	68%	0.679	34%	0.34	S	S	*	.	H	α-helix	trans	-56.9	-35.5	176.8	-59.4	-39.9	0	0	0	112.1	E227 R228 V229	D225-E227 VanDerWaalsContact C-N 3.34Å; D225-E227 PolarHBondContact O-N 3.36Å; D225-R228 PolarHBondContact O-N 2.57Å; D225-V229 WeakPolarHBondContact O-CG2 3.29Å; D225-V229 PolarHBondContact O-N 2.92Å
226	K	89.1	Confident	88.5	Confident	181 Å²	181	67.8 Å²	67.8	79%	0.787	35%	0.346	S	S	*	.	H	α-helix	trans	-63.7	-38.3	174.3	-66	-175	-179.8	-178	0	112.8	S224	S224-K226 PolarHBondContact O-N 2.88Å
227	E	89.8	Confident	88.8	Confident	31 Å²	31	67.6 Å²	67.6	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-71.8	-39.1	178.5	-174.1	64.1	-164.4	0	0	111	A223 S224 D225 V229 K230 P233 T234	A223-E227 HydrophobicContact CB-CB 4.38Å; A223-E227 HydrophobicContact CB-CG 4.36Å; S224-E227 WeakPolarHBondContact O-CA 3.25Å; S224-E227 WeakPolarHBondContact O-CB 3.2Å; S224-E227 PolarHBondContact O-N 3.09Å; S224-E227 PolarHBondContact OG-N 3.37Å; D225-E227 VanDerWaalsContact C-N 3.34Å; D225-E227 PolarHBondContact O-N 3.36Å; E227-V229 PolarHBondContact O-N 2.95Å; E227-K230 WeakPolarHBondContact O-CB 3.44Å; E227-K230 PolarHBondContact O-N 3.16Å; E227-K230 VanDerWaalsContact O-N 3.17Å; E227-K230 IonicContact OE1-NZ 3.55Å; E227-K230 VanDerWaalsContact OE2-CE 3.23Å; E227-K230 WeakPolarHBondContact OE2-CE 3.29Å; E227-K230 IonicContact OE2-NZ 3.73Å; E227-K230 PolarHBondContact OE2-NZ 2.83Å; E227-P233 WeakPolarHBondContact O-CB 3.47Å; E227-T234 WeakPolarHBondContact OE1-CB 3.44Å; E227-T234 PolarHBondContact OE1-N 2.88Å; E227-T234 PolarHBondContact OE1-OG1 3.48Å
228	R	90.8	Very high	89.2	Confident	104 Å²	104	70 Å²	70	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-20.6	-178.5	-71.8	177.9	170.9	179.6	-0.8	114.5	A223 S224 D225 K230 Y235 D239	A223-R228 HydrophobicContact CB-CG 3.86Å; A223-R228 PolarHBondContact O-NE 3.31Å; S224-R228 WeakPolarHBondContact O-CG 3.36Å; S224-R228 PolarHBondContact O-N 3.14Å; D225-R228 PolarHBondContact O-N 2.57Å; R228-K230 VanDerWaalsContact C-N 3.34Å; R228-Y235 HydrophobicContact CG-CE1 4.4Å; R228-D239 IonicContact CZ-OD1 2.69Å; R228-D239 IonicContact NE-OD1 3.61Å; R228-D239 IonicContact NH2-OD1 3.89Å; R228-D239 PolarHBondContact NH2-OD1 3.41Å
229	V	90.9	Very high	90	Very high	128 Å²	128	67.6 Å²	67.6	78%	0.776	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.5	178.5	174.2	0	0	0	0	112.2	D225 E227	D225-V229 WeakPolarHBondContact O-CG2 3.29Å; D225-V229 PolarHBondContact O-N 2.92Å; E227-V229 PolarHBondContact O-N 2.95Å
230	K	88	Confident	90.9	Very high	44 Å²	44	65.7 Å²	65.7	19%	0.191	33%	0.331	C	S	.	.	S	Bend	trans	-66.5	154.4	176.6	-64.6	-179.2	178.1	172.4	0	110.9	E227 R228 L232 P233	E227-K230 WeakPolarHBondContact O-CB 3.44Å; E227-K230 PolarHBondContact O-N 3.16Å; E227-K230 VanDerWaalsContact O-N 3.17Å; E227-K230 IonicContact OE1-NZ 3.55Å; E227-K230 VanDerWaalsContact OE2-CE 3.23Å; E227-K230 WeakPolarHBondContact OE2-CE 3.29Å; E227-K230 IonicContact OE2-NZ 3.73Å; E227-K230 PolarHBondContact OE2-NZ 2.83Å; R228-K230 VanDerWaalsContact C-N 3.34Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 2.91Å; K230-P233 WeakPolarHBondContact O-CD 3.48Å
231	E	87.4	Confident	91.5	Very high	202 Å²	202	67.3 Å²	67.3	94%	0.944	32%	0.322	S	S	*	.	S	Bend	trans	-59.3	-42.2	174.6	-171.8	-178.4	174.3	0	0	111.8	P233	E231-P233 WeakPolarHBondContact O-CD 3.47Å
232	L	89.3	Confident	91.8	Very high	29 Å²	29	71.2 Å²	71.2	15%	0.152	35%	0.345	C	S	.	.	S	Bend	trans	-121.6	83.1	174.1	-172.9	61	0	0	0	111.1	V208 H209 K211 K230	V208-L232 HydrophobicContact CB-CD2 4.36Å; V208-L232 HydrophobicContact CG1-CD2 4.31Å; V208-L232 WeakPolarHBondContact O-CD1 3.23Å; V208-L232 WeakPolarHBondContact O-CD2 3.3Å; H209-L232 WeakPolarHBondContact O-CD1 3.45Å; K211-L232 HydrophobicContact CB-CD1 4.5Å; K211-L232 PolarHBondContact NZ-O 3.22Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 2.91Å
233	P	92.1	Very high	91.9	Very high	13 Å²	13	70 Å²	70	8%	0.084	34%	0.342	C	S	.	.			trans	-67.4	145.3	-178.2	28.8	-34.9	0	0	0	111.7	E227 K230 E231 Y235	E227-P233 WeakPolarHBondContact O-CB 3.47Å; K230-P233 WeakPolarHBondContact O-CD 3.48Å; E231-P233 WeakPolarHBondContact O-CD 3.47Å; P233-Y235 HydrophobicContact CB-CE1 4.37Å; P233-Y235 HydrophobicContact CB-CE2 4.39Å; P233-Y235 HydrophobicContact CG-CD2 4.35Å; P233-Y235 HydrophobicContact CG-CE1 4.21Å; P233-Y235 HydrophobicContact CG-CE2 3.61Å; P233-Y235 WeakPolarHBondContact CG-OH 3.33Å; P233-Y235 PolarHBondContact O-N 2.86Å
234	T	93.6	Very high	92.1	Very high	35 Å²	35	77.6 Å²	77.6	22%	0.215	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	95.5	170.6	-41.3	0	0	0	0	109.9	K211 D213 E227	K211-T234 WeakPolarHBondContact CE-OG1 3.49Å; K211-T234 HydrophobicContact CG-CG2 4.34Å; K211-T234 PolarHBondContact NZ-OG1 3.47Å; D213-T234 HydrophobicContact CB-CG2 4.02Å; E227-T234 WeakPolarHBondContact OE1-CB 3.44Å; E227-T234 PolarHBondContact OE1-N 2.88Å; E227-T234 PolarHBondContact OE1-OG1 3.48Å
235	Y	95.5	Very high	92.3	Very high	59 Å²	59	75.6 Å²	75.6	23%	0.231	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	162.5	176	-69.2	-58.7	0	0	0	112.1	K211 Y212 D213 A223 R228 P233 D239	K211-Y235 PolarHBondContact O-N 3Å; Y212-Y235 CarbonylContact C-O 3.6Å; Y212-Y235 VanDerWaalsContact CA-O 3.29Å; Y212-Y235 WeakPolarHBondContact CA-O 3.49Å; Y212-Y235 HydrophobicContact CD1-CG 4.35Å; Y212-Y235 VanDerWaalsContact CE1-CB 3.46Å; Y212-Y235 HydrophobicContact CE1-CD2 4.05Å; Y212-Y235 HydrophobicContact CE1-CG 4.05Å; D213-Y235 PolarHBondContact N-O 3.03Å; A223-Y235 HydrophobicContact CB-CD1 4.02Å; R228-Y235 HydrophobicContact CG-CE1 4.4Å; P233-Y235 HydrophobicContact CB-CE1 4.37Å; P233-Y235 HydrophobicContact CB-CE2 4.39Å; P233-Y235 HydrophobicContact CG-CD2 4.35Å; P233-Y235 HydrophobicContact CG-CE1 4.21Å; P233-Y235 HydrophobicContact CG-CE2 3.61Å; P233-Y235 WeakPolarHBondContact CG-OH 3.33Å; P233-Y235 PolarHBondContact O-N 2.86Å; Y235-D239 HydrophobicContact CD1-CB 3.72Å; Y235-D239 HydrophobicContact CG-CB 4.04Å
236	K	95.6	Very high	92.5	Very high	60 Å²	60	73 Å²	73	26%	0.261	35%	0.345	S	S	.	.			trans	-125.1	-171.9	179.6	-64.2	-177.8	-164.8	154.6	0	111.8	D213 R221 E222 M238 D239 F240	D213-K236 WeakPolarHBondContact O-CA 3.41Å; R221-K236 VanDerWaalsContact C-CB 3.45Å; R221-K236 HydrophobicContact CB-CB 4.38Å; R221-K236 CarbonylContact O-C 3.59Å; R221-K236 WeakPolarHBondContact O-CB 3.34Å; E222-K236 WeakPolarHBondContact O-CD 3.42Å; E222-K236 PolarHBondContact O-NZ 3.33Å; K236-M238 PolarHBondContact O-N 2.95Å; K236-D239 PolarHBondContact N-OD2 3.3Å; K236-D239 PolarHBondContact O-N 3.23Å; K236-F240 WeakPolarHBondContact O-CB 3.5Å; K236-F240 PolarHBondContact O-N 2.91Å
237	D	94.1	Very high	92.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-41.3	-172.7	-48.7	-117.1	0	0	0	113.8	K215 G216 S217 R221 R241 F409	K215-D237 PolarHBondContact N-OD1 2.87Å; K215-D237 PolarHBondContact N-OD2 3.43Å; G216-D237 WeakPolarHBondContact CA-OD1 3.31Å; G216-D237 PolarHBondContact N-OD1 3.46Å; S217-D237 WeakPolarHBondContact O-CB 3.21Å; R221-D237 HydrophobicContact CB-CB 4.1Å; R221-D237 IonicContact CZ-OD2 3.37Å; R221-D237 IonicContact NE-OD2 2.85Å; R221-D237 PolarHBondContact NE-OD2 3.2Å; R221-D237 IonicContact NH2-OD2 3.79Å; R221-D237 PolarHBondContact NH2-OD2 3.44Å; R221-D237 PolarHBondContact O-N 3.49Å; D237-R241 WeakPolarHBondContact O-CG 3.47Å; D237-R241 PolarHBondContact O-N 3.1Å; D237-R241 VanDerWaalsContact O-N 3.09Å; D237-F409 HydrophobicContact CB-CE2 4.33Å; D237-F409 HydrophobicContact CB-CZ 3.9Å
238	M	92.6	Very high	93.3	Very high	51 Å²	51	66.4 Å²	66.4	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-70.2	-40.5	178.4	-70.7	-63.5	-66.7	0	0	111.4	L218 R221 E222 K236 F240 R241 N242	L218-M238 HydrophobicContact CB-SD 3.87Å; L218-M238 HydrophobicContact CD2-SD 3.72Å; L218-M238 HydrophobicContact CG-SD 4.28Å; R221-M238 VanDerWaalsContact O-CB 3.27Å; R221-M238 WeakPolarHBondContact O-CB 3.49Å; R221-M238 PolarHBondContact O-N 2.76Å; E222-M238 HydrophobicContact CB-CB 4.27Å; K236-M238 PolarHBondContact O-N 2.95Å; M238-F240 VanDerWaalsContact C-N 3.35Å; M238-R241 PolarHBondContact O-N 3.47Å; M238-N242 VanDerWaalsContact O-CB 3.29Å; M238-N242 WeakPolarHBondContact O-CB 3.46Å; M238-N242 PolarHBondContact O-N 2.8Å; M238-N242 PolarHBondContact O-ND2 3.19Å; M238-N242 PolarHBondContact O-OD1 3.42Å
239	D	94.5	Very high	93.6	Very high	4 Å²	4	62 Å²	62	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-43.3	175.5	-53	-67.8	0	0	0	110.5	E222 A223 R228 Y235 K236 R241 N242 N243	E222-D239 WeakPolarHBondContact CA-OD2 3.48Å; A223-D239 PolarHBondContact N-OD2 2.89Å; R228-D239 IonicContact CZ-OD1 2.69Å; R228-D239 IonicContact NE-OD1 3.61Å; R228-D239 IonicContact NH2-OD1 3.89Å; R228-D239 PolarHBondContact NH2-OD1 3.41Å; Y235-D239 HydrophobicContact CD1-CB 3.72Å; Y235-D239 HydrophobicContact CG-CB 4.04Å; K236-D239 PolarHBondContact N-OD2 3.3Å; K236-D239 PolarHBondContact O-N 3.23Å; D239-R241 VanDerWaalsContact C-N 3.31Å; D239-R241 PolarHBondContact O-N 3.01Å; D239-N242 PolarHBondContact O-N 3.27Å; D239-N243 WeakPolarHBondContact O-CB 3.31Å; D239-N243 PolarHBondContact O-N 3.01Å; D239-N243 PolarHBondContact O-ND2 3.2Å; D239-N243 PolarHBondContact O-OD1 3.46Å
240	F	95.7	Very high	93.8	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-46.6	176.2	-173	-84.5	0	0	0	111.6	Y212 L214 K236 M238 M244 Q245 L280 I413	Y212-F240 HydrophobicContact CD1-CB 3.82Å; Y212-F240 AromaticContact CD1-CD2 3.68Å; Y212-F240 HydrophobicContact CD1-CD2 3.68Å; Y212-F240 HydrophobicContact CD1-CG 4.26Å; Y212-F240 HydrophobicContact CD2-CD2 4.16Å; Y212-F240 HydrophobicContact CE1-CB 3.96Å; Y212-F240 AromaticContact CE1-CD2 3.88Å; Y212-F240 HydrophobicContact CE1-CD2 3.88Å; Y212-F240 HydrophobicContact CE1-CG 4.38Å; Y212-F240 HydrophobicContact CE2-CD2 4.32Å; Y212-F240 AromaticContact CG-CD2 3.85Å; Y212-F240 HydrophobicContact CG-CD2 3.85Å; L214-F240 HydrophobicContact CD1-CD2 4.29Å; L214-F240 HydrophobicContact CD1-CE2 4.4Å; L214-F240 HydrophobicContact CD2-CB 3.97Å; L214-F240 HydrophobicContact CD2-CD2 4.17Å; L214-F240 HydrophobicContact CD2-CG 4.12Å; K236-F240 WeakPolarHBondContact O-CB 3.5Å; K236-F240 PolarHBondContact O-N 2.91Å; M238-F240 VanDerWaalsContact C-N 3.35Å; F240-M244 PolarHBondContact O-N 2.99Å; F240-Q245 HydrophobicContact CD1-CB 4.4Å; F240-Q245 HydrophobicContact CD2-CB 3.81Å; F240-Q245 HydrophobicContact CD2-CG 3.8Å; F240-Q245 HydrophobicContact CE1-CB 4.31Å; F240-Q245 WeakPolarHBondContact CE1-O 3.21Å; F240-Q245 HydrophobicContact CE2-CB 3.71Å; F240-Q245 HydrophobicContact CE2-CG 3.36Å; F240-Q245 HydrophobicContact CG-CB 4.14Å; F240-Q245 HydrophobicContact CZ-CB 3.95Å; F240-Q245 HydrophobicContact CZ-CG 3.85Å; F240-Q245 VanDerWaalsContact CZ-O 3.23Å; F240-Q245 WeakPolarHBondContact CZ-O 3.44Å; F240-Q245 PolarHBondContact O-N 2.92Å; F240-L280 HydrophobicContact CE2-CD2 3.81Å; F240-I413 HydrophobicContact CE1-CB 3.82Å; F240-I413 HydrophobicContact CE1-CG2 3.89Å; F240-I413 HydrophobicContact CZ-CB 3.7Å; F240-I413 HydrophobicContact CZ-CG2 4.12Å
241	R	92.6	Very high	94.2	Very high	135 Å²	135	62.7 Å²	62.7	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-46.6	177.3	-73.3	-178.7	64	-164.7	-2.2	112.7	D237 M238 D239 N243 M244	D237-R241 WeakPolarHBondContact O-CG 3.47Å; D237-R241 PolarHBondContact O-N 3.1Å; D237-R241 VanDerWaalsContact O-N 3.09Å; M238-R241 PolarHBondContact O-N 3.47Å; D239-R241 VanDerWaalsContact C-N 3.31Å; D239-R241 PolarHBondContact O-N 3.01Å; R241-N243 VanDerWaalsContact C-N 3.3Å; R241-N243 PolarHBondContact O-N 3.48Å; R241-M244 PolarHBondContact O-N 3.17Å
242	N	92.9	Very high	94.6	Very high	106 Å²	106	58.3 Å²	58.3	57%	0.567	28%	0.276	S	S	*	.	H	α-helix	trans	-66.8	-34.4	-177	-69.9	-13.5	0	0	0	111.9	M238 D239 M244	M238-N242 VanDerWaalsContact O-CB 3.29Å; M238-N242 WeakPolarHBondContact O-CB 3.46Å; M238-N242 PolarHBondContact O-N 2.8Å; M238-N242 PolarHBondContact O-ND2 3.19Å; M238-N242 PolarHBondContact O-OD1 3.42Å; D239-N242 PolarHBondContact O-N 3.27Å; N242-M244 PolarHBondContact O-N 2.93Å
243	N	93.6	Very high	94.9	Very high	85 Å²	85	59.2 Å²	59.2	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.1	174.7	-65.9	-5.6	0	0	0	112.8	D239 R241 Q245	D239-N243 WeakPolarHBondContact O-CB 3.31Å; D239-N243 PolarHBondContact O-N 3.01Å; D239-N243 PolarHBondContact O-ND2 3.2Å; D239-N243 PolarHBondContact O-OD1 3.46Å; R241-N243 VanDerWaalsContact C-N 3.3Å; R241-N243 PolarHBondContact O-N 3.48Å; N243-Q245 PolarHBondContact O-N 3.19Å; N243-Q245 VanDerWaalsContact O-N 3.14Å
244	M	93.1	Very high	95.1	Very high	162 Å²	162	61.2 Å²	61.2	80%	0.798	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	33.9	-173	-57.7	-176.8	-74.1	0	0	112.4	F240 R241 N242	F240-M244 PolarHBondContact O-N 2.99Å; R241-M244 PolarHBondContact O-N 3.17Å; N242-M244 PolarHBondContact O-N 2.93Å
245	Q	95.8	Very high	95.3	Very high	24 Å²	24	65 Å²	65	11%	0.112	30%	0.302	C	S	.	.			trans	-67.8	141.7	-179.2	-176.1	67.9	61.8	0	0	109.8	Y212 F240 N243 I282	Y212-Q245 HydrophobicContact CE2-CG 3.99Å; Y212-Q245 PolarHBondContact OH-OE1 3.43Å; F240-Q245 HydrophobicContact CD1-CB 4.4Å; F240-Q245 HydrophobicContact CD2-CB 3.81Å; F240-Q245 HydrophobicContact CD2-CG 3.8Å; F240-Q245 HydrophobicContact CE1-CB 4.31Å; F240-Q245 WeakPolarHBondContact CE1-O 3.21Å; F240-Q245 HydrophobicContact CE2-CB 3.71Å; F240-Q245 HydrophobicContact CE2-CG 3.36Å; F240-Q245 HydrophobicContact CG-CB 4.14Å; F240-Q245 HydrophobicContact CZ-CB 3.95Å; F240-Q245 HydrophobicContact CZ-CG 3.85Å; F240-Q245 VanDerWaalsContact CZ-O 3.23Å; F240-Q245 WeakPolarHBondContact CZ-O 3.44Å; F240-Q245 PolarHBondContact O-N 2.92Å; N243-Q245 PolarHBondContact O-N 3.19Å; N243-Q245 VanDerWaalsContact O-N 3.14Å; Q245-I282 HydrophobicContact CG-CD1 4.24Å
246	K	96.5	Very high	95.4	Very high	72 Å²	72	67 Å²	67	31%	0.313	31%	0.312	S	S	.	.			trans	-137.5	159	174.3	-74.5	-63.9	-167	159.6	0	110.7	Y248 N412 I413 F414 A415	K246-Y248 HydrophobicContact CB-CD2 4.34Å; K246-Y248 HydrophobicContact CB-CE1 4.46Å; K246-Y248 HydrophobicContact CB-CE2 3.72Å; K246-N412 PolarHBondContact NZ-O 3.46Å; K246-I413 WeakPolarHBondContact CA-O 3.42Å; K246-I413 WeakPolarHBondContact CD-O 3.17Å; K246-F414 PolarHBondContact NZ-O 3.03Å; K246-A415 HydrophobicContact CB-CB 3.8Å; K246-A415 HydrophobicContact CD-CB 4.19Å; K246-A415 HydrophobicContact CG-CB 4.03Å
247	V	97.4	Very high	95.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-109.3	109	173.7	178.2	0	0	0	0	108	V249 L280 Y362 I413 F414 A415	V247-V249 HydrophobicContact CG1-CG1 3.97Å; V247-V249 PolarHBondContact O-N 3.36Å; V247-L280 HydrophobicContact CG2-CD1 4.35Å; V247-L280 HydrophobicContact CG2-CD2 3.84Å; V247-Y362 HydrophobicContact CG1-CD1 4.1Å; V247-Y362 HydrophobicContact CG1-CD2 3.66Å; V247-Y362 HydrophobicContact CG1-CE1 4.2Å; V247-Y362 HydrophobicContact CG1-CE2 3.73Å; V247-Y362 HydrophobicContact CG1-CG 3.84Å; V247-Y362 HydrophobicContact CG2-CD1 4.49Å; V247-I413 HydrophobicContact CB-CG1 4.45Å; V247-I413 HydrophobicContact CG2-CD1 4.16Å; V247-I413 HydrophobicContact CG2-CG1 4.08Å; V247-I413 PolarHBondContact N-O 2.86Å; V247-F414 HydrophobicContact CB-CD1 3.8Å; V247-F414 HydrophobicContact CB-CE1 4.12Å; V247-F414 HydrophobicContact CG1-CD1 3.67Å; V247-F414 HydrophobicContact CG1-CE1 3.68Å; V247-F414 VanDerWaalsContact O-CA 3.32Å; V247-F414 WeakPolarHBondContact O-CA 3.45Å; V247-A415 PolarHBondContact O-N 3.36Å
248	Y	97.6	Very high	95.7	Very high	73 Å²	73	66 Å²	66	29%	0.286	31%	0.309	S	S	.	.			trans	-93.8	94	-173.7	-64.2	-89.2	0	0	0	110.2	K246 S352 A353 A356 P357 Y362 A415	K246-Y248 HydrophobicContact CB-CD2 4.34Å; K246-Y248 HydrophobicContact CB-CE1 4.46Å; K246-Y248 HydrophobicContact CB-CE2 3.72Å; Y248-S352 CarbonylContact O-C 3.5Å; Y248-S352 WeakPolarHBondContact O-CA 3.37Å; Y248-S352 WeakPolarHBondContact O-CB 3.23Å; Y248-A353 PolarHBondContact O-N 3.29Å; Y248-A356 HydrophobicContact CG-CB 4.15Å; Y248-P357 HydrophobicContact CD1-CG 4.4Å; Y248-P357 HydrophobicContact CE1-CG 3.86Å; Y248-P357 HydrophobicContact CE2-CG 4.1Å; Y248-Y362 PolarHBondContact N-OH 2.86Å; Y248-A415 HydrophobicContact CD1-CB 3.6Å; Y248-A415 HydrophobicContact CE1-CB 3.53Å; Y248-A415 HydrophobicContact CG-CB 4.32Å
249	V	96.8	Very high	95.9	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.067	32%	0.323	C	S	.	.			trans	-128.7	159.5	179	-64.6	0	0	0	0	109.3	V247 Q253 K254 I350 Y362 F414	V247-V249 HydrophobicContact CG1-CG1 3.97Å; V247-V249 PolarHBondContact O-N 3.36Å; V249-Q253 HydrophobicContact CB-CB 4.11Å; V249-K254 HydrophobicContact CG2-CB 3.98Å; V249-I350 HydrophobicContact CG1-CG2 3.83Å; V249-Y362 HydrophobicContact CG1-CD2 3.8Å; V249-Y362 HydrophobicContact CG1-CE2 3.84Å; V249-F414 HydrophobicContact CG2-CD1 3.56Å; V249-F414 HydrophobicContact CG2-CE1 3.99Å; V249-F414 HydrophobicContact CG2-CG 4.5Å
250	N	95.7	Very high	96.1	Very high	62 Å²	62	72 Å²	72	33%	0.332	34%	0.335	S	S	.	.			trans	-73	162.5	177.1	69.1	15.1	0	0	0	110.8	E252 Q253 K254 A353	N250-E252 PolarHBondContact O-N 3.1Å; N250-Q253 PolarHBondContact O-N 3.32Å; N250-Q253 WeakPolarHBondContact OD1-CB 3.44Å; N250-Q253 WeakPolarHBondContact OD1-CG 3.5Å; N250-Q253 PolarHBondContact OD1-N 2.87Å; N250-Q253 PolarHBondContact OD1-OE1 3.4Å; N250-K254 PolarHBondContact O-N 3.43Å; N250-A353 HydrophobicContact CB-CB 4.46Å
251	E	95.4	Very high	96.2	Very high	125 Å²	125	71.6 Å²	71.6	58%	0.584	33%	0.334	S	S	*	.	H	α-helix	trans	-61.2	-34.3	-176.6	-165.2	62.7	-153.2	0	0	111.8	K254 E255	E251-K254 PolarHBondContact O-N 3.18Å; E251-K254 IonicContact OE1-NZ 3.29Å; E251-K254 PolarHBondContact OE1-NZ 2.94Å; E251-K254 IonicContact OE2-NZ 2.83Å; E251-K254 PolarHBondContact OE2-NZ 2.97Å; E251-E255 WeakPolarHBondContact O-CB 3.21Å; E251-E255 PolarHBondContact O-N 3.34Å
252	E	96.4	Very high	96.5	Very high	110 Å²	110	67.7 Å²	67.7	51%	0.514	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.8	-171.6	-168	161.5	0	0	112.5	N250 K256	N250-E252 PolarHBondContact O-N 3.1Å; E252-K256 VanDerWaalsContact O-CG 3.31Å; E252-K256 WeakPolarHBondContact O-CG 3.37Å; E252-K256 PolarHBondContact O-N 3.46Å; E252-K256 WeakPolarHBondContact OE1-CE 3.4Å; E252-K256 IonicContact OE1-NZ 2.63Å; E252-K256 PolarHBondContact OE1-NZ 2.83Å
253	Q	95.4	Very high	96.7	Very high	49 Å²	49	67.1 Å²	67.1	23%	0.229	31%	0.313	C	S	.	.	H	α-helix	trans	-67	-42.9	176.7	-75.8	168.7	-40.4	0	0	110.6	V249 N250 K256 V257 I350 R351	V249-Q253 HydrophobicContact CB-CB 4.11Å; N250-Q253 PolarHBondContact O-N 3.32Å; N250-Q253 WeakPolarHBondContact OD1-CB 3.44Å; N250-Q253 WeakPolarHBondContact OD1-CG 3.5Å; N250-Q253 PolarHBondContact OD1-N 2.87Å; N250-Q253 PolarHBondContact OD1-OE1 3.4Å; Q253-K256 PolarHBondContact O-N 3.46Å; Q253-V257 VanDerWaalsContact O-CG2 3.31Å; Q253-V257 WeakPolarHBondContact O-CG2 3.24Å; Q253-V257 PolarHBondContact O-N 3.31Å; Q253-I350 HydrophobicContact CB-CG2 4.22Å; Q253-I350 HydrophobicContact CG-CG2 4.2Å; Q253-R351 PolarHBondContact NE2-O 2.68Å; Q253-R351 PolarHBondContact OE1-O 3.47Å
254	K	97.1	Very high	97	Very high	54 Å²	54	63.1 Å²	63.1	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-47.7	175.4	176.4	-178.6	160.1	-143.2	0	111.1	V249 N250 E251 K256 V257 M258 F414	V249-K254 HydrophobicContact CG2-CB 3.98Å; N250-K254 PolarHBondContact O-N 3.43Å; E251-K254 PolarHBondContact O-N 3.18Å; E251-K254 IonicContact OE1-NZ 3.29Å; E251-K254 PolarHBondContact OE1-NZ 2.94Å; E251-K254 IonicContact OE2-NZ 2.83Å; E251-K254 PolarHBondContact OE2-NZ 2.97Å; K254-K256 PolarHBondContact O-N 2.99Å; K254-V257 PolarHBondContact O-N 3.32Å; K254-M258 HydrophobicContact CG-CG 4.4Å; K254-M258 WeakPolarHBondContact O-CB 3.38Å; K254-M258 VanDerWaalsContact O-CG 3.29Å; K254-M258 WeakPolarHBondContact O-CG 3.17Å; K254-M258 PolarHBondContact O-N 2.72Å; K254-F414 HydrophobicContact CD-CB 3.91Å; K254-F414 HydrophobicContact CD-CD2 4.42Å; K254-F414 HydrophobicContact CD-CG 4.18Å; K254-F414 HydrophobicContact CG-CB 4.33Å; K254-F414 HydrophobicContact CG-CD2 4.07Å; K254-F414 HydrophobicContact CG-CG 4.04Å
255	E	97.6	Very high	97.2	Very high	115 Å²	115	55.4 Å²	55.4	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-58.2	-48.9	176.8	-173.2	171.7	-155.3	0	0	110.8	E251 V257 M258 E259	E251-E255 WeakPolarHBondContact O-CB 3.21Å; E251-E255 PolarHBondContact O-N 3.34Å; E255-V257 VanDerWaalsContact C-N 3.32Å; E255-V257 PolarHBondContact O-N 3.3Å; E255-M258 PolarHBondContact O-N 3.25Å; E255-M258 VanDerWaalsContact O-N 3.16Å; E255-E259 HydrophobicContact CG-CG 4.48Å; E255-E259 WeakPolarHBondContact O-CB 3.01Å; E255-E259 WeakPolarHBondContact O-CG 3.13Å; E255-E259 PolarHBondContact O-N 2.82Å
256	K	96.9	Very high	97.3	Very high	102 Å²	102	59.8 Å²	59.8	44%	0.443	27%	0.274	S	S	.	.	H	α-helix	trans	-57.7	-40.3	176.2	-73.4	173.2	-173.8	170.9	0	113.3	E252 Q253 K254 K260	E252-K256 VanDerWaalsContact O-CG 3.31Å; E252-K256 WeakPolarHBondContact O-CG 3.37Å; E252-K256 PolarHBondContact O-N 3.46Å; E252-K256 WeakPolarHBondContact OE1-CE 3.4Å; E252-K256 IonicContact OE1-NZ 2.63Å; E252-K256 PolarHBondContact OE1-NZ 2.83Å; Q253-K256 PolarHBondContact O-N 3.46Å; K254-K256 PolarHBondContact O-N 2.99Å; K256-K260 WeakPolarHBondContact O-CG 3.38Å; K256-K260 PolarHBondContact O-N 2.9Å
257	V	97.5	Very high	97.3	Very high	10 Å²	10	57.4 Å²	57.4	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-46.4	176.7	173.8	0	0	0	0	110.7	L176 Q253 K254 E255 E259 K260 L261 I350 M364 F414	L176-V257 HydrophobicContact CD1-CG1 4.33Å; Q253-V257 VanDerWaalsContact O-CG2 3.31Å; Q253-V257 WeakPolarHBondContact O-CG2 3.24Å; Q253-V257 PolarHBondContact O-N 3.31Å; K254-V257 PolarHBondContact O-N 3.32Å; E255-V257 VanDerWaalsContact C-N 3.32Å; E255-V257 PolarHBondContact O-N 3.3Å; V257-E259 PolarHBondContact O-N 2.84Å; V257-K260 PolarHBondContact O-N 3.15Å; V257-L261 VanDerWaalsContact O-CB 3.32Å; V257-L261 WeakPolarHBondContact O-CB 3.43Å; V257-L261 PolarHBondContact O-N 2.85Å; V257-I350 HydrophobicContact CG2-CD1 3.07Å; V257-M364 HydrophobicContact CG1-CE 4.42Å; V257-M364 HydrophobicContact CG2-CE 4.22Å; V257-F414 HydrophobicContact CG1-CZ 4.01Å
258	M	98.1	Very high	97.3	Very high	27 Å²	27	57.4 Å²	57.4	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-36.1	-178.3	-70.1	-55.7	-59	0	0	112.1	K254 E255 L261 N262 I410 A411 F414	K254-M258 HydrophobicContact CG-CG 4.4Å; K254-M258 WeakPolarHBondContact O-CB 3.38Å; K254-M258 VanDerWaalsContact O-CG 3.29Å; K254-M258 WeakPolarHBondContact O-CG 3.17Å; K254-M258 PolarHBondContact O-N 2.72Å; E255-M258 PolarHBondContact O-N 3.25Å; E255-M258 VanDerWaalsContact O-N 3.16Å; M258-L261 HydrophobicContact CE-CD2 3.91Å; M258-L261 PolarHBondContact O-N 3.45Å; M258-L261 HydrophobicContact SD-CD2 3.89Å; M258-N262 VanDerWaalsContact O-CB 3.27Å; M258-N262 WeakPolarHBondContact O-CB 3.47Å; M258-N262 PolarHBondContact O-N 3.4Å; M258-N262 PolarHBondContact O-ND2 3.46Å; M258-N262 VanDerWaalsContact O-ND2 3.11Å; M258-I410 HydrophobicContact SD-CG2 4.25Å; M258-A411 HydrophobicContact CE-CB 3.84Å; M258-A411 HydrophobicContact SD-CB 4.43Å; M258-F414 HydrophobicContact SD-CE2 3.96Å
259	E	98	Very high	97.2	Very high	117 Å²	117	55.5 Å²	55.5	55%	0.547	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-48.4	172.2	-76.4	-176.4	165.5	0	0	112	E255 V257 N262 R263	E255-E259 HydrophobicContact CG-CG 4.48Å; E255-E259 WeakPolarHBondContact O-CB 3.01Å; E255-E259 WeakPolarHBondContact O-CG 3.13Å; E255-E259 PolarHBondContact O-N 2.82Å; V257-E259 PolarHBondContact O-N 2.84Å; E259-N262 PolarHBondContact O-N 2.88Å; E259-R263 WeakPolarHBondContact O-CB 3.46Å; E259-R263 PolarHBondContact O-N 3.38Å; E259-R263 VanDerWaalsContact O-N 3.11Å
260	K	98	Very high	97	Very high	65 Å²	65	62.1 Å²	62.1	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-48.4	175.7	-67.7	179.1	-166.8	-167.6	0	110.7	S174 L176 K256 V257 N262 R263 D264	S174-K260 WeakPolarHBondContact OG-CE 3.45Å; S174-K260 PolarHBondContact OG-NZ 2.72Å; L176-K260 HydrophobicContact CD1-CB 4.29Å; L176-K260 HydrophobicContact CG-CB 4.03Å; K256-K260 WeakPolarHBondContact O-CG 3.38Å; K256-K260 PolarHBondContact O-N 2.9Å; V257-K260 PolarHBondContact O-N 3.15Å; K260-N262 PolarHBondContact O-N 2.87Å; K260-R263 PolarHBondContact O-N 2.75Å; K260-D264 WeakPolarHBondContact O-CB 3.47Å; K260-D264 PolarHBondContact O-N 2.9Å
261	L	98.4	Very high	96.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-47.7	179.4	-171.1	75.8	0	0	0	111.7	L176 V257 M258 D264 V265 L278 L366 F406 I410	L176-L261 HydrophobicContact CD1-CB 3.9Å; L176-L261 HydrophobicContact CD1-CD1 3.82Å; V257-L261 VanDerWaalsContact O-CB 3.32Å; V257-L261 WeakPolarHBondContact O-CB 3.43Å; V257-L261 PolarHBondContact O-N 2.85Å; M258-L261 HydrophobicContact CE-CD2 3.91Å; M258-L261 PolarHBondContact O-N 3.45Å; M258-L261 HydrophobicContact SD-CD2 3.89Å; L261-D264 PolarHBondContact O-N 3.33Å; L261-V265 HydrophobicContact CD1-CG2 4.43Å; L261-V265 HydrophobicContact CG-CG2 4.29Å; L261-V265 VanDerWaalsContact O-CB 3.22Å; L261-V265 WeakPolarHBondContact O-CB 3.32Å; L261-V265 WeakPolarHBondContact O-CG2 3.48Å; L261-V265 PolarHBondContact O-N 2.66Å; L261-L278 HydrophobicContact CD1-CD1 4.23Å; L261-L366 HydrophobicContact CD1-CD2 4Å; L261-L366 HydrophobicContact CD1-CG 4.48Å; L261-F406 HydrophobicContact CD1-CE1 3.79Å; L261-F406 HydrophobicContact CD1-CZ 4.32Å; L261-F406 HydrophobicContact CG-CE1 4.36Å; L261-I410 HydrophobicContact CD2-CB 3.84Å; L261-I410 HydrophobicContact CD2-CG1 4.35Å; L261-I410 HydrophobicContact CD2-CG2 3.57Å
262	N	98.1	Very high	96.7	Very high	53 Å²	53	61 Å²	61	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-48.5	-179.5	-73.8	-27	0	0	0	111.2	M258 E259 K260 D264 V265 E266 R407	M258-N262 VanDerWaalsContact O-CB 3.27Å; M258-N262 WeakPolarHBondContact O-CB 3.47Å; M258-N262 PolarHBondContact O-N 3.4Å; M258-N262 PolarHBondContact O-ND2 3.46Å; M258-N262 VanDerWaalsContact O-ND2 3.11Å; E259-N262 PolarHBondContact O-N 2.88Å; K260-N262 PolarHBondContact O-N 2.87Å; N262-D264 PolarHBondContact O-N 3.42Å; N262-V265 PolarHBondContact O-N 2.68Å; N262-E266 WeakPolarHBondContact O-CB 3.25Å; N262-E266 VanDerWaalsContact O-CG 3.27Å; N262-E266 WeakPolarHBondContact O-CG 3.46Å; N262-E266 PolarHBondContact O-N 2.69Å; N262-R407 WeakPolarHBondContact OD1-CD 3.47Å
263	R	98.3	Very high	96.4	Very high	94 Å²	94	55.8 Å²	55.8	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177.5	175.8	174.8	65.6	-150.3	-1.2	112.2	S174 E259 K260 F267	S174-R263 PolarHBondContact O-NH2 2.94Å; E259-R263 WeakPolarHBondContact O-CB 3.46Å; E259-R263 PolarHBondContact O-N 3.38Å; E259-R263 VanDerWaalsContact O-N 3.11Å; K260-R263 PolarHBondContact O-N 2.75Å; R263-F267 PolarHBondContact O-N 3.32Å; R263-F267 VanDerWaalsContact O-N 3.14Å
264	D	98.4	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.4	-40.3	-178.9	-66.8	-26.9	0	0	0	111.7	H167 T175 L176 L177 K260 L261 N262 F267 L268 L366	H167-D264 IonicContact CD2-OD1 2.94Å; H167-D264 IonicContact CE1-OD1 3Å; H167-D264 IonicContact NE2-OD1 2.99Å; H167-D264 PolarHBondContact NE2-OD1 2.79Å; T175-D264 PolarHBondContact OG1-OD1 2.81Å; T175-D264 PolarHBondContact OG1-OD2 2.68Å; L176-D264 WeakPolarHBondContact CB-OD2 3.5Å; L176-D264 PolarHBondContact N-OD2 2.83Å; L177-D264 HydrophobicContact CD1-CB 4.38Å; L177-D264 HydrophobicContact CD2-CB 4.29Å; L177-D264 HydrophobicContact CG-CB 3.99Å; K260-D264 WeakPolarHBondContact O-CB 3.47Å; K260-D264 PolarHBondContact O-N 2.9Å; L261-D264 PolarHBondContact O-N 3.33Å; N262-D264 PolarHBondContact O-N 3.42Å; D264-F267 WeakPolarHBondContact O-CB 3.28Å; D264-F267 PolarHBondContact O-N 3.32Å; D264-L268 WeakPolarHBondContact O-CG 3.4Å; D264-L268 PolarHBondContact O-N 3Å; D264-L366 HydrophobicContact CB-CD1 3.82Å
265	V	97.9	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-40.1	175.6	165.6	0	0	0	0	111.4	L261 N262 F267 L268 V269 Y276 A403 F406 R407	L261-V265 HydrophobicContact CD1-CG2 4.43Å; L261-V265 HydrophobicContact CG-CG2 4.29Å; L261-V265 VanDerWaalsContact O-CB 3.22Å; L261-V265 WeakPolarHBondContact O-CB 3.32Å; L261-V265 WeakPolarHBondContact O-CG2 3.48Å; L261-V265 PolarHBondContact O-N 2.66Å; N262-V265 PolarHBondContact O-N 2.68Å; V265-F267 VanDerWaalsContact C-N 3.3Å; V265-F267 PolarHBondContact O-N 3.44Å; V265-L268 PolarHBondContact O-N 3.4Å; V265-V269 HydrophobicContact CG1-CG2 4.44Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.43Å; V265-V269 PolarHBondContact O-N 3.48Å; V265-Y276 WeakPolarHBondContact CG1-OH 2.8Å; V265-Y276 HydrophobicContact CG2-CE2 4.09Å; V265-A403 HydrophobicContact CG1-CB 3.4Å; V265-A403 VanDerWaalsContact CG1-CB 3.4Å; V265-F406 HydrophobicContact CG2-CD1 3.83Å; V265-F406 HydrophobicContact CG2-CE1 3.78Å; V265-R407 HydrophobicContact CB-CG 4.49Å; V265-R407 HydrophobicContact CG1-CG 4.17Å; V265-R407 HydrophobicContact CG2-CG 4.45Å
266	E	97.2	Very high	95.3	Very high	117 Å²	117	46.2 Å²	46.2	55%	0.547	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-40.4	173.8	-77.6	171.6	-167.9	0	0	112.1	N262 V269 K270 R407	N262-E266 WeakPolarHBondContact O-CB 3.25Å; N262-E266 VanDerWaalsContact O-CG 3.27Å; N262-E266 WeakPolarHBondContact O-CG 3.46Å; N262-E266 PolarHBondContact O-N 2.69Å; E266-V269 PolarHBondContact O-N 2.86Å; E266-K270 PolarHBondContact O-N 2.76Å; E266-R407 IonicContact OE1-NH1 3.15Å
267	F	97.6	Very high	95.2	Very high	21 Å²	21	41.3 Å²	41.3	9%	0.092	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-46.3	172.1	166.3	-98.4	0	0	0	112	E163 Y164 H167 L177 R263 D264 V265 V269 K270 L271	E163-F267 HydrophobicContact CB-CE2 4.05Å; E163-F267 WeakPolarHBondContact O-CE2 3.34Å; Y164-F267 HydrophobicContact CD2-CE1 4.44Å; Y164-F267 HydrophobicContact CD2-CZ 4.43Å; H167-F267 HydrophobicContact CB-CD2 3.75Å; H167-F267 HydrophobicContact CB-CE2 3.74Å; H167-F267 HydrophobicContact CB-CG 4.3Å; H167-F267 HydrophobicContact CB-CZ 4.28Å; H167-F267 AromaticContact CE1-CG 3.93Å; H167-F267 AromaticContact CG-CD2 3.77Å; H167-F267 AromaticContact CG-CG 3.86Å; H167-F267 AromaticContact ND1-CD2 3.73Å; H167-F267 AromaticContact ND1-CG 3.72Å; L177-F267 HydrophobicContact CD1-CD1 3.66Å; L177-F267 HydrophobicContact CD1-CE1 3.83Å; R263-F267 PolarHBondContact O-N 3.32Å; R263-F267 VanDerWaalsContact O-N 3.14Å; D264-F267 WeakPolarHBondContact O-CB 3.28Å; D264-F267 PolarHBondContact O-N 3.32Å; V265-F267 VanDerWaalsContact C-N 3.3Å; V265-F267 PolarHBondContact O-N 3.44Å; F267-V269 PolarHBondContact O-N 2.84Å; F267-K270 WeakPolarHBondContact O-CB 3.2Å; F267-K270 PolarHBondContact O-N 2.76Å; F267-L271 HydrophobicContact CD1-CD1 4.42Å; F267-L271 HydrophobicContact CD2-CD1 4.36Å; F267-L271 HydrophobicContact CE1-CD1 3.69Å; F267-L271 HydrophobicContact CE2-CD1 3.61Å; F267-L271 HydrophobicContact CE2-CG 4.25Å; F267-L271 HydrophobicContact CZ-CD1 3.22Å; F267-L271 HydrophobicContact CZ-CG 4.29Å; F267-L271 PolarHBondContact O-N 2.8Å
268	L	96.4	Very high	95.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-40.4	177.2	-65.4	177.2	0	0	0	112.3	L177 D264 V265 L271 K272 I273 Y276 L366 V369	L177-L268 HydrophobicContact CD2-CD1 4Å; L177-L268 HydrophobicContact CD2-CD2 3.88Å; L177-L268 HydrophobicContact CD2-CG 4.05Å; D264-L268 WeakPolarHBondContact O-CG 3.4Å; D264-L268 PolarHBondContact O-N 3Å; V265-L268 PolarHBondContact O-N 3.4Å; L268-L271 CarbonylContact O-C 3.57Å; L268-L271 PolarHBondContact O-N 3.18Å; L268-K272 PolarHBondContact O-N 3.31Å; L268-K272 VanDerWaalsContact O-N 3.12Å; L268-I273 HydrophobicContact CB-CB 4.25Å; L268-I273 HydrophobicContact CD2-CB 4.14Å; L268-I273 HydrophobicContact CD2-CD1 3.73Å; L268-I273 HydrophobicContact CD2-CG2 4.04Å; L268-I273 PolarHBondContact O-N 2.93Å; L268-Y276 HydrophobicContact CB-CD1 4.44Å; L268-Y276 HydrophobicContact CB-CE1 3.97Å; L268-Y276 HydrophobicContact CD1-CD1 3.67Å; L268-Y276 HydrophobicContact CD1-CD2 3.92Å; L268-Y276 HydrophobicContact CD1-CE1 3.75Å; L268-Y276 HydrophobicContact CD1-CE2 3.99Å; L268-Y276 HydrophobicContact CD1-CG 3.75Å; L268-Y276 HydrophobicContact CG-CE1 4.49Å; L268-L366 HydrophobicContact CD1-CD1 4.13Å; L268-V369 HydrophobicContact CD1-CG1 4.13Å; L268-V369 HydrophobicContact CD2-CB 3.95Å; L268-V369 HydrophobicContact CD2-CG1 4.18Å
269	V	95.1	Very high	95.2	Very high	32 Å²	32	40.8 Å²	40.8	19%	0.194	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-45.2	175.4	170.5	0	0	0	0	111.1	V265 E266 F267 L271 K272 E400 A403	V265-V269 HydrophobicContact CG1-CG2 4.44Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.43Å; V265-V269 PolarHBondContact O-N 3.48Å; E266-V269 PolarHBondContact O-N 2.86Å; F267-V269 PolarHBondContact O-N 2.84Å; V269-L271 PolarHBondContact O-N 3.02Å; V269-K272 WeakPolarHBondContact O-CA 3.29Å; V269-K272 PolarHBondContact O-N 3.01Å; V269-E400 HydrophobicContact CG1-CG 3.76Å; V269-A403 HydrophobicContact CG2-CB 3.31Å
270	K	94.5	Very high	95.2	Very high	151 Å²	151	35.2 Å²	35.2	66%	0.657	16%	0.161	S	C	*	.	H	α-helix	trans	-57.3	-38.5	177.6	-179.9	-175.7	173.8	-170	0	111.8	E266 F267 K272	E266-K270 PolarHBondContact O-N 2.76Å; F267-K270 WeakPolarHBondContact O-CB 3.2Å; F267-K270 PolarHBondContact O-N 2.76Å; K270-K272 VanDerWaalsContact C-N 3.26Å; K270-K272 PolarHBondContact O-N 3.01Å
271	L	93.2	Very high	95.2	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.147	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.1	177.4	-63.7	-176.6	0	0	0	113.8	I160 E163 F267 L268 V269 I273	I160-L271 HydrophobicContact CB-CD1 3.88Å; I160-L271 HydrophobicContact CG2-CD1 3.88Å; E163-L271 HydrophobicContact CB-CD1 4.44Å; E163-L271 HydrophobicContact CB-CD2 3.94Å; E163-L271 HydrophobicContact CG-CD2 3.96Å; F267-L271 HydrophobicContact CD1-CD1 4.42Å; F267-L271 HydrophobicContact CD2-CD1 4.36Å; F267-L271 HydrophobicContact CE1-CD1 3.69Å; F267-L271 HydrophobicContact CE2-CD1 3.61Å; F267-L271 HydrophobicContact CE2-CG 4.25Å; F267-L271 HydrophobicContact CZ-CD1 3.22Å; F267-L271 HydrophobicContact CZ-CG 4.29Å; F267-L271 PolarHBondContact O-N 2.8Å; L268-L271 CarbonylContact O-C 3.57Å; L268-L271 PolarHBondContact O-N 3.18Å; V269-L271 PolarHBondContact O-N 3.02Å; L271-I273 HydrophobicContact CB-CD1 3.59Å; L271-I273 HydrophobicContact CB-CG1 3.86Å; L271-I273 HydrophobicContact CD1-CD1 3.8Å; L271-I273 HydrophobicContact CG-CD1 4.37Å; L271-I273 PolarHBondContact O-N 2.91Å
272	K	91	Very high	95.2	Very high	134 Å²	134	32.1 Å²	32.1	58%	0.583	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	32.7	-176.6	-54.3	175	-179.4	170.5	0	112.5	L268 V269 K270 Y373 P399	L268-K272 PolarHBondContact O-N 3.31Å; L268-K272 VanDerWaalsContact O-N 3.12Å; V269-K272 WeakPolarHBondContact O-CA 3.29Å; V269-K272 PolarHBondContact O-N 3.01Å; K270-K272 VanDerWaalsContact C-N 3.26Å; K270-K272 PolarHBondContact O-N 3.01Å; K272-Y373 VanDerWaalsContact O-CB 3.28Å; K272-Y373 WeakPolarHBondContact O-CB 3.4Å; K272-Y373 PolarHBondContact O-N 2.67Å; K272-P399 HydrophobicContact CB-CG 4.36Å
273	I	90.6	Very high	95.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-84.4	141.9	175	-63.1	162.4	0	0	0	108.5	I160 L268 L271 Y276 V369	I160-I273 HydrophobicContact CD1-CD1 4.42Å; I160-I273 HydrophobicContact CG2-CD1 4.32Å; L268-I273 HydrophobicContact CB-CB 4.25Å; L268-I273 HydrophobicContact CD2-CB 4.14Å; L268-I273 HydrophobicContact CD2-CD1 3.73Å; L268-I273 HydrophobicContact CD2-CG2 4.04Å; L268-I273 PolarHBondContact O-N 2.93Å; L271-I273 HydrophobicContact CB-CD1 3.59Å; L271-I273 HydrophobicContact CB-CG1 3.86Å; L271-I273 HydrophobicContact CD1-CD1 3.8Å; L271-I273 HydrophobicContact CG-CD1 4.37Å; L271-I273 PolarHBondContact O-N 2.91Å; I273-Y276 HydrophobicContact CG2-CD1 4.19Å; I273-V369 WeakPolarHBondContact CD1-O 3.4Å; I273-V369 WeakPolarHBondContact CG2-O 3.36Å
274	M	86.3	Confident	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.123	C	C	.	.			trans	-147.7	-179.7	-179.5	65.4	178.8	-64.7	0	0	111.2	Y276 T371 Y373 T396 V397	M274-Y276 PolarHBondContact O-N 3.17Å; M274-Y276 VanDerWaalsContact O-N 3.17Å; M274-T371 PolarHBondContact N-O 3.49Å; M274-T371 VanDerWaalsContact N-O 3.09Å; M274-Y373 HydrophobicContact CE-CD2 4.33Å; M274-Y373 HydrophobicContact SD-CD2 3.1Å; M274-Y373 WeakPolarHBondContact SD-CD2 3.45Å; M274-Y373 HydrophobicContact SD-CE2 3.85Å; M274-Y373 HydrophobicContact SD-CG 3.68Å; M274-T396 HydrophobicContact CE-CG2 4.23Å; M274-V397 WeakPolarHBondContact CE-O 3.41Å
275	D	85.6	Confident	94.6	Very high	17 Å²	17	26.9 Å²	26.9	9%	0.091	13%	0.126	C	C	.	.	S	Bend	trans	60.6	18.3	-179.7	-75.3	-31.5	0	0	0	114.1	K215 T371 K377	K215-D275 VanDerWaalsContact CE-O 3.26Å; K215-D275 WeakPolarHBondContact CE-O 3.43Å; K215-D275 PolarHBondContact NZ-O 2.86Å; D275-T371 HydrophobicContact CB-CG2 4.5Å; D275-K377 IonicContact OD2-NZ 3.57Å
276	Y	94.1	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.			trans	-77.7	145.6	174.2	51.6	-95.3	0	0	0	112	V265 L268 I273 M274 L366 I367 Y402 F406	V265-Y276 WeakPolarHBondContact CG1-OH 2.8Å; V265-Y276 HydrophobicContact CG2-CE2 4.09Å; L268-Y276 HydrophobicContact CB-CD1 4.44Å; L268-Y276 HydrophobicContact CB-CE1 3.97Å; L268-Y276 HydrophobicContact CD1-CD1 3.67Å; L268-Y276 HydrophobicContact CD1-CD2 3.92Å; L268-Y276 HydrophobicContact CD1-CE1 3.75Å; L268-Y276 HydrophobicContact CD1-CE2 3.99Å; L268-Y276 HydrophobicContact CD1-CG 3.75Å; L268-Y276 HydrophobicContact CG-CE1 4.49Å; I273-Y276 HydrophobicContact CG2-CD1 4.19Å; M274-Y276 PolarHBondContact O-N 3.17Å; M274-Y276 VanDerWaalsContact O-N 3.17Å; Y276-L366 HydrophobicContact CD2-CD2 4.23Å; Y276-I367 WeakPolarHBondContact CA-O 3.35Å; Y276-I367 WeakPolarHBondContact CB-O 3.1Å; Y276-Y402 HydrophobicContact CD1-CD1 4.4Å; Y276-Y402 AromaticContact CD1-CE1 3.93Å; Y276-Y402 HydrophobicContact CD1-CE1 3.93Å; Y276-Y402 AromaticContact CD2-CE1 3.95Å; Y276-Y402 HydrophobicContact CD2-CE1 3.95Å; Y276-Y402 AromaticContact CE1-CD1 3.73Å; Y276-Y402 HydrophobicContact CE1-CD1 3.73Å; Y276-Y402 AromaticContact CE1-CE1 3.66Å; Y276-Y402 HydrophobicContact CE1-CE1 3.66Å; Y276-Y402 HydrophobicContact CE2-CD1 4.19Å; Y276-Y402 AromaticContact CE2-CE1 3.67Å; Y276-Y402 HydrophobicContact CE2-CE1 3.67Å; Y276-Y402 HydrophobicContact CG-CE1 4.08Å; Y276-Y402 AromaticContact CZ-CD1 3.6Å; Y276-Y402 AromaticContact CZ-CE1 3.52Å; Y276-Y402 PolarHBondContact N-OH 3.5Å; Y276-Y402 PolarHBondContact O-OH 3.25Å; Y276-F406 HydrophobicContact CD2-CE1 4.24Å; Y276-F406 HydrophobicContact CD2-CE2 4.45Å; Y276-F406 HydrophobicContact CD2-CZ 4.21Å; Y276-F406 AromaticContact CE2-CD1 3.7Å; Y276-F406 HydrophobicContact CE2-CD1 3.7Å; Y276-F406 HydrophobicContact CE2-CD2 4.41Å; Y276-F406 AromaticContact CE2-CE1 3.75Å; Y276-F406 HydrophobicContact CE2-CE1 3.75Å; Y276-F406 HydrophobicContact CE2-CE2 4.49Å; Y276-F406 HydrophobicContact CE2-CG 4.02Å; Y276-F406 HydrophobicContact CE2-CZ 4.16Å
277	S	95.1	Very high	93.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	156.5	177.1	-45.4	0	0	0	0	111.6	D213 L214 K215 L366 I367	D213-S277 VanDerWaalsContact CG-CB 3.49Å; D213-S277 WeakPolarHBondContact OD1-CB 3.27Å; D213-S277 PolarHBondContact OD1-OG 3.42Å; D213-S277 VanDerWaalsContact OD2-CB 3.25Å; D213-S277 WeakPolarHBondContact OD2-CB 3.27Å; D213-S277 PolarHBondContact OD2-OG 3.16Å; L214-S277 CarbonylContact O-C 3.54Å; L214-S277 VanDerWaalsContact O-CA 3.28Å; L214-S277 WeakPolarHBondContact O-CA 3.37Å; K215-S277 WeakPolarHBondContact CE-OG 3.34Å; K215-S277 WeakPolarHBondContact CG-OG 3.41Å; S277-L366 CarbonylContact O-C 3.59Å; S277-L366 VanDerWaalsContact O-CA 3.29Å; S277-L366 WeakPolarHBondContact O-CA 3.44Å; S277-I367 PolarHBondContact N-O 2.89Å; S277-I367 VanDerWaalsContact N-O 3.15Å; S277-I367 PolarHBondContact O-N 2.77Å
278	L	97.9	Very high	93.5	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.7	153.4	-168.2	79.5	0	0	0	108	L214 L261 M364 G365 L366 F406 I410 I413	L214-L278 HydrophobicContact CB-CB 4.42Å; L214-L278 PolarHBondContact N-O 2.94Å; L214-L278 PolarHBondContact O-N 3.02Å; L261-L278 HydrophobicContact CD1-CD1 4.23Å; L278-M364 HydrophobicContact CD2-SD 4.49Å; L278-G365 CarbonylContact C-O 3.58Å; L278-G365 WeakPolarHBondContact CA-O 3.2Å; L278-G365 WeakPolarHBondContact CD1-O 3.23Å; L278-L366 HydrophobicContact CD1-CD2 4.11Å; L278-F406 HydrophobicContact CB-CE2 4.13Å; L278-F406 HydrophobicContact CB-CZ 3.89Å; L278-I410 HydrophobicContact CB-CD1 3.85Å; L278-I410 HydrophobicContact CD2-CD1 3.64Å; L278-I410 HydrophobicContact CD2-CG1 4.3Å; L278-I410 HydrophobicContact CD2-CG2 4.04Å; L278-I410 HydrophobicContact CG-CD1 4.38Å; L278-I413 HydrophobicContact CD2-CD1 4.31Å
279	L	97.7	Very high	93.1	Very high	24 Å²	24	30.7 Å²	30.7	13%	0.126	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.3	168	-177.1	65.1	0	0	0	108.5	M201 F202 K211 Y212 M364 G365 I367	M201-L279 HydrophobicContact CE-CB 3.82Å; M201-L279 HydrophobicContact CE-CD2 4.16Å; M201-L279 HydrophobicContact CE-CG 4.42Å; M201-L279 HydrophobicContact SD-CB 4.48Å; M201-L279 HydrophobicContact SD-CD2 4.01Å; F202-L279 HydrophobicContact CE1-CD2 4.05Å; F202-L279 HydrophobicContact CE1-CG 4.11Å; F202-L279 HydrophobicContact CE2-CD2 4.26Å; F202-L279 HydrophobicContact CZ-CD1 4.14Å; F202-L279 HydrophobicContact CZ-CD2 3.6Å; F202-L279 HydrophobicContact CZ-CG 3.8Å; K211-L279 HydrophobicContact CD-CD1 4.42Å; K211-L279 HydrophobicContact CG-CD1 4.01Å; Y212-L279 WeakPolarHBondContact O-CA 3.49Å; L279-M364 WeakPolarHBondContact O-CA 3.29Å; L279-G365 PolarHBondContact N-O 2.8Å; L279-G365 PolarHBondContact O-N 2.83Å; L279-I367 HydrophobicContact CB-CD1 4.02Å; L279-I367 HydrophobicContact CB-CG1 4.18Å; L279-I367 HydrophobicContact CB-CG2 3.9Å; L279-I367 HydrophobicContact CD1-CD1 4.47Å; L279-I367 HydrophobicContact CD2-CG2 4.16Å
280	L	98.3	Very high	92.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.9	176.1	170.3	65.7	0	0	0	109.2	K211 Y212 L214 F240 V247 I282 Y362 F363 M364	K211-L280 CarbonylContact C-O 3.52Å; K211-L280 WeakPolarHBondContact CA-O 3.3Å; Y212-L280 HydrophobicContact CD2-CD2 4.24Å; Y212-L280 PolarHBondContact N-O 3.41Å; Y212-L280 PolarHBondContact O-N 3.19Å; L214-L280 HydrophobicContact CD1-CD2 4.43Å; F240-L280 HydrophobicContact CE2-CD2 3.81Å; V247-L280 HydrophobicContact CG2-CD1 4.35Å; V247-L280 HydrophobicContact CG2-CD2 3.84Å; L280-I282 HydrophobicContact CD1-CG1 4.24Å; L280-I282 HydrophobicContact CD2-CD1 4.25Å; L280-I282 HydrophobicContact CD2-CG1 4.41Å; L280-I282 HydrophobicContact CG-CD1 4.45Å; L280-I282 HydrophobicContact CG-CG1 4.07Å; L280-Y362 HydrophobicContact CD1-CD1 4.38Å; L280-F363 CarbonylContact C-O 3.53Å; L280-F363 WeakPolarHBondContact CA-O 3.41Å; L280-M364 HydrophobicContact CD1-CG 3.45Å; L280-M364 VanDerWaalsContact CD1-CG 3.45Å; L280-M364 HydrophobicContact CD1-SD 4.01Å
281	G	97.8	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140	166.6	0	0	0	0	0	110.3	R210 Y362 F363	R210-G281 CarbonylContact O-C 3.54Å; G281-Y362 CarbonylContact O-C 3.58Å; G281-Y362 WeakPolarHBondContact O-CA 3.45Å; G281-F363 PolarHBondContact N-O 3.22Å; G281-F363 PolarHBondContact O-N 3.49Å
282	I	97.7	Very high	91.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.1	178.2	-46.8	-177.1	0	0	0	108.7	H209 R210 Y212 Q245 L280 E360 Y362	H209-I282 PolarHBondContact N-O 3.12Å; R210-I282 HydrophobicContact CB-CB 4.16Å; R210-I282 HydrophobicContact CB-CD1 4.4Å; R210-I282 HydrophobicContact CB-CG1 4.43Å; R210-I282 PolarHBondContact N-O 3.08Å; R210-I282 PolarHBondContact O-N 2.96Å; Y212-I282 HydrophobicContact CD2-CD1 4.32Å; Y212-I282 HydrophobicContact CE2-CD1 3.95Å; Q245-I282 HydrophobicContact CG-CD1 4.24Å; L280-I282 HydrophobicContact CD1-CG1 4.24Å; L280-I282 HydrophobicContact CD2-CD1 4.25Å; L280-I282 HydrophobicContact CD2-CG1 4.41Å; L280-I282 HydrophobicContact CG-CD1 4.45Å; L280-I282 HydrophobicContact CG-CG1 4.07Å; I282-E360 HydrophobicContact CG2-CB 4.1Å; I282-E360 HydrophobicContact CG2-CG 4.07Å; I282-E360 WeakPolarHBondContact CG2-OE1 3.13Å; I282-Y362 HydrophobicContact CD1-CE1 4.47Å; I282-Y362 HydrophobicContact CG1-CD1 4.13Å; I282-Y362 HydrophobicContact CG2-CD1 4.06Å; I282-Y362 HydrophobicContact CG2-CE1 3.98Å
283	H	96.2	Very high	91.4	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.028	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.4	165.7	172.3	76.2	0	0	0	108.5	L206 V207 H209 A288 E360 V361 F363	L206-H283 HydrophobicContact CB-CB 4.31Å; V207-H283 WeakPolarHBondContact O-CB 3.22Å; V207-H283 PolarHBondContact O-ND1 3.02Å; H209-H283 AromaticContact CE1-CE1 3.95Å; H209-H283 AromaticContact CE1-ND1 3.5Å; H283-A288 VanDerWaalsContact CE1-CB 3.44Å; H283-A288 WeakPolarHBondContact CE1-CB 3.38Å; H283-E360 CarbonylContact O-C 3.54Å; H283-E360 WeakPolarHBondContact O-CA 3.47Å; H283-E360 WeakPolarHBondContact O-CB 3.26Å; H283-V361 HydrophobicContact CB-CB 4.29Å; H283-V361 PolarHBondContact N-O 3.28Å; H283-V361 PolarHBondContact O-N 3.23Å; H283-F363 HydrophobicContact CB-CE2 4.03Å
284	D	94.8	Very high	90.9	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.8	-180	178.5	-34.1	0	0	0	107	H209 R210 G286 R287 A288 Q358	H209-D284 PolarHBondContact CE1-N 2.81Å; H209-D284 PolarHBondContact CE1-O 2.81Å; H209-D284 WeakPolarHBondContact ND1-CB 3.43Å; H209-D284 PolarHBondContact ND1-N 3.36Å; H209-D284 PolarHBondContact ND1-O 3.27Å; R210-D284 IonicContact NH2-OD2 3.34Å; R210-D284 PolarHBondContact NH2-OD2 3.27Å; D284-G286 VanDerWaalsContact C-N 3.33Å; D284-G286 PolarHBondContact O-N 3.43Å; D284-G286 PolarHBondContact OD1-N 3.12Å; D284-R287 HydrophobicContact CB-CB 3.96Å; D284-R287 PolarHBondContact O-N 2.86Å; D284-R287 PolarHBondContact OD1-N 2.92Å; D284-A288 PolarHBondContact O-N 3.48Å; D284-Q358 PolarHBondContact OD2-OE1 3.16Å
285	L	91.6	Very high	89.7	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-41.9	-174.7	-82	74.2	0	0	0	111	R287 A288 E289 K359 V361	L285-R287 VanDerWaalsContact C-N 3.27Å; L285-R287 PolarHBondContact O-N 3.24Å; L285-A288 PolarHBondContact O-N 3.28Å; L285-E289 WeakPolarHBondContact O-CG 3.38Å; L285-E289 PolarHBondContact O-N 2.88Å; L285-K359 HydrophobicContact CB-CB 4.11Å; L285-K359 WeakPolarHBondContact CB-O 3.28Å; L285-K359 HydrophobicContact CD1-CB 4.41Å; L285-K359 VanDerWaalsContact CD1-O 3.28Å; L285-K359 WeakPolarHBondContact CD1-O 3.34Å; L285-K359 HydrophobicContact CD2-CB 4.22Å; L285-K359 HydrophobicContact CG-CB 4.49Å; L285-K359 PolarHBondContact N-O 2.89Å; L285-V361 HydrophobicContact CD1-CG2 4.05Å
286	G	89.9	Confident	88.4	Confident	19 Å²	19	54.2 Å²	54.2	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-30.5	-177.2	0	0	0	0	0	112	D284 R290	D284-G286 VanDerWaalsContact C-N 3.33Å; D284-G286 PolarHBondContact O-N 3.43Å; D284-G286 PolarHBondContact OD1-N 3.12Å; G286-R290 PolarHBondContact O-N 3.07Å; G286-R290 PolarHBondContact O-NH1 3.25Å; G286-R290 PolarHBondContact O-NH2 3.09Å
287	R	90.8	Very high	85.8	Confident	109 Å²	109	62.3 Å²	62.3	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-71.1	-44.8	171.4	-178	173.6	171.7	-176.3	-6.8	112	D284 L285 E289 R290 E291	D284-R287 HydrophobicContact CB-CB 3.96Å; D284-R287 PolarHBondContact O-N 2.86Å; D284-R287 PolarHBondContact OD1-N 2.92Å; L285-R287 VanDerWaalsContact C-N 3.27Å; L285-R287 PolarHBondContact O-N 3.24Å; R287-E289 PolarHBondContact O-N 3.42Å; R287-R290 PolarHBondContact O-N 2.84Å; R287-E291 HydrophobicContact CG-CG 4.45Å; R287-E291 IonicContact CZ-OE1 3.63Å; R287-E291 VanDerWaalsContact CZ-OE1 3.29Å; R287-E291 IonicContact NE-OE1 3.96Å; R287-E291 PolarHBondContact NE-OE1 2.55Å; R287-E291 IonicContact NH2-OE1 3.96Å; R287-E291 PolarHBondContact NH2-OE1 2.98Å; R287-E291 WeakPolarHBondContact O-CG 3.35Å; R287-E291 PolarHBondContact O-N 3.49Å
288	A	89.3	Confident	83.3	Confident	12 Å²	12	68.1 Å²	68.1	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-43.4	178.5	0	0	0	0	0	112.2	H283 D284 L285 R290 E291 E292	H283-A288 VanDerWaalsContact CE1-CB 3.44Å; H283-A288 WeakPolarHBondContact CE1-CB 3.38Å; D284-A288 PolarHBondContact O-N 3.48Å; L285-A288 PolarHBondContact O-N 3.28Å; A288-R290 VanDerWaalsContact C-N 3.31Å; A288-R290 PolarHBondContact O-N 3.21Å; A288-E291 PolarHBondContact O-N 3.36Å; A288-E291 VanDerWaalsContact O-N 3.16Å; A288-E292 WeakPolarHBondContact O-CG 3.48Å; A288-E292 PolarHBondContact O-N 3.3Å
289	E	87.9	Confident	80.5	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-57.7	-42.8	176.9	-73.8	168.2	-179.8	0	0	111.6	L285 R287 E292 E293	L285-E289 WeakPolarHBondContact O-CG 3.38Å; L285-E289 PolarHBondContact O-N 2.88Å; R287-E289 PolarHBondContact O-N 3.42Å; E289-E292 PolarHBondContact O-N 3.06Å; E289-E293 WeakPolarHBondContact O-CG 3.49Å; E289-E293 PolarHBondContact O-N 3.17Å
290	R	88.4	Confident	77.6	Confident	132 Å²	132	79.7 Å²	79.7	50%	0.498	41%	0.413	S	S	.	.	H	α-helix	trans	-66.8	-39.9	175.9	-72.4	-173	-63.7	-83.6	-1.9	113	G286 R287 A288 E292 E293 E294	G286-R290 PolarHBondContact O-N 3.07Å; G286-R290 PolarHBondContact O-NH1 3.25Å; G286-R290 PolarHBondContact O-NH2 3.09Å; R287-R290 PolarHBondContact O-N 2.84Å; A288-R290 VanDerWaalsContact C-N 3.31Å; A288-R290 PolarHBondContact O-N 3.21Å; R290-E292 VanDerWaalsContact C-N 3.3Å; R290-E293 PolarHBondContact O-N 2.75Å; R290-E294 WeakPolarHBondContact O-CB 3.46Å; R290-E294 VanDerWaalsContact O-CG 3.31Å; R290-E294 WeakPolarHBondContact O-CG 3.49Å; R290-E294 PolarHBondContact O-N 3.2Å
291	E	86.6	Confident	74.6	Confident	78 Å²	78	88.1 Å²	88.1	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-67.9	-31.5	177.9	-71.5	175.8	179.8	0	0	111.7	H209 R287 A288 G295	H209-E291 IonicContact NE2-OE2 2.8Å; R287-E291 HydrophobicContact CG-CG 4.45Å; R287-E291 IonicContact CZ-OE1 3.63Å; R287-E291 VanDerWaalsContact CZ-OE1 3.29Å; R287-E291 IonicContact NE-OE1 3.96Å; R287-E291 PolarHBondContact NE-OE1 2.55Å; R287-E291 IonicContact NH2-OE1 3.96Å; R287-E291 PolarHBondContact NH2-OE1 2.98Å; R287-E291 WeakPolarHBondContact O-CG 3.35Å; R287-E291 PolarHBondContact O-N 3.49Å; A288-E291 PolarHBondContact O-N 3.36Å; A288-E291 VanDerWaalsContact O-N 3.16Å; E291-G295 PolarHBondContact O-N 2.85Å; E291-G295 VanDerWaalsContact O-N 3.11Å
292	E	81.8	Confident	71.5	Confident	124 Å²	124	97.1 Å²	97.1	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-68.3	-47	171.4	-73.6	176.3	178.4	0	0	111.2	A288 E289 R290 E294 G295 E296	A288-E292 WeakPolarHBondContact O-CG 3.48Å; A288-E292 PolarHBondContact O-N 3.3Å; E289-E292 PolarHBondContact O-N 3.06Å; R290-E292 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 2.98Å; E292-G295 PolarHBondContact O-N 3.24Å; E292-E296 PolarHBondContact O-N 3.4Å
293	E	81.6	Confident	68.5	Low	145 Å²	145	105.1 Å²	105.1	68%	0.678	54%	0.537	S	S	*	.	H	α-helix	trans	-62.3	-38.1	176.6	-72.4	175	-178.3	0	0	113	E289 R290 G295	E289-E293 WeakPolarHBondContact O-CG 3.49Å; E289-E293 PolarHBondContact O-N 3.17Å; R290-E293 PolarHBondContact O-N 2.75Å; E293-G295 VanDerWaalsContact C-N 3.35Å
294	E	79.8	Confident	65.3	Low	158 Å²	158	108 Å²	108	74%	0.738	57%	0.568	S	S	*	*	H	α-helix	trans	-76	-22.3	177.6	-72.4	176.5	-173.3	0	0	112.9	R290 E292	R290-E294 WeakPolarHBondContact O-CB 3.46Å; R290-E294 VanDerWaalsContact O-CG 3.31Å; R290-E294 WeakPolarHBondContact O-CG 3.49Å; R290-E294 PolarHBondContact O-N 3.2Å; E292-E294 PolarHBondContact O-N 2.98Å
295	G	62	Low	62.3	Low	63 Å²	63	116.9 Å²	116.9	65%	0.649	61%	0.609	S	S	*	*	H	α-helix	trans	-84.4	-18	178.1	0	0	0	0	0	114.5	E291 E292 E293 E297	E291-G295 PolarHBondContact O-N 2.85Å; E291-G295 VanDerWaalsContact O-N 3.11Å; E292-G295 PolarHBondContact O-N 3.24Å; E293-G295 VanDerWaalsContact C-N 3.35Å; G295-E297 PolarHBondContact O-N 3.35Å
296	E	56.6	Low	59.3	Low	156 Å²	156	123 Å²	123	73%	0.729	65%	0.647	S	S	*	*			trans	-85.2	74	173.6	-70.2	-176.4	174.2	0	0	110.8	E292	E292-E296 PolarHBondContact O-N 3.4Å
297	E	40.4	Very low	56.5	Low	171 Å²	171	131.4 Å²	131.4	80%	0.799	68%	0.682	S	S	*	*			trans	-64.1	138.5	159.8	-80.3	-153.2	171.4	0	0	109.3	G295 S299	G295-E297 PolarHBondContact O-N 3.35Å; E297-S299 PolarHBondContact O-N 2.86Å
298	P	43	Very low	53.9	Low	122 Å²	122	134.4 Å²	134.4	79%	0.792	71%	0.706	S	S	*	*			trans	-67.8	101	-175.9	26.8	-31.9	0	0	0	109.7	I300	P298-I300 PolarHBondContact O-N 3.37Å
299	S	37.4	Very low	51	Low	108 Å²	108	137.6 Å²	137.6	76%	0.755	74%	0.739	S	S	*	*			trans	-62.2	110.9	163.3	55.3	0	0	0	0	107.5	E297 E301	E297-S299 PolarHBondContact O-N 2.86Å; S299-E301 PolarHBondContact O-N 3.13Å; S299-E301 VanDerWaalsContact O-N 3.08Å
300	I	37	Very low	48.2	Very low	160 Å²	160	142.1 Å²	142.1	82%	0.821	77%	0.765	S	S	*	*			trans	-48.7	116.7	171.7	-64.4	169.6	0	0	0	108	P298 E302	P298-I300 PolarHBondContact O-N 3.37Å; I300-E302 PolarHBondContact O-N 2.9Å
301	E	36.8	Very low	45.4	Very low	177 Å²	177	144.6 Å²	144.6	83%	0.827	79%	0.785	S	S	*	*			trans	-60.6	114.2	173.8	-63.3	177.4	165.4	0	0	108.9	S299	S299-E301 PolarHBondContact O-N 3.13Å; S299-E301 VanDerWaalsContact O-N 3.08Å
302	E	32.5	Very low	42.7	Very low	189 Å²	189	149.9 Å²	149.9	88%	0.883	81%	0.81	S	S	*	*			trans	-97.8	111.1	152.3	-85.7	-168.6	166.2	0	0	107.4	I300 G304	I300-E302 PolarHBondContact O-N 2.9Å; E302-G304 PolarHBondContact O-N 2.8Å
303	D	33.3	Very low	40.3	Very low	168 Å²	168	150.4 Å²	150.4	90%	0.898	82%	0.821	S	S	*	*			trans	-46.4	124.9	173.7	-85.1	-42.9	0	0	0	112.2
304	G	29.8	Very low	38.1	Very low	66 Å²	66	149.3 Å²	149.3	68%	0.68	83%	0.826	S	S	*	*			trans	-144.8	101.8	169.8	0	0	0	0	0	110.2	E302	E302-G304 PolarHBondContact O-N 2.8Å
305	E	31.2	Very low	35.7	Very low	205 Å²	205	149.4 Å²	149.4	96%	0.958	83%	0.832	S	S	*	*			trans	-41.4	128.6	-176.1	-59.6	174.6	154.9	0	0	114.5
306	T	29.5	Very low	34.5	Very low	140 Å²	140	150.8 Å²	150.8	86%	0.859	84%	0.837	S	S	*	*			trans	-99.7	115.5	172.6	-15.1	0	0	0	0	110.5
307	E	31.7	Very low	33.8	Very low	197 Å²	197	149.7 Å²	149.7	92%	0.921	85%	0.845	S	S	*	*			trans	-74.9	141.2	167.2	-108.4	-168.4	156.2	0	0	111.4
308	N	34.4	Very low	33.6	Very low	172 Å²	172	146.7 Å²	146.7	92%	0.92	84%	0.843	S	S	*	*			trans	-59.2	139	-176.7	-75	-50.2	0	0	0	115
309	G	29.3	Very low	33.5	Very low	78 Å²	78	149.4 Å²	149.4	80%	0.804	84%	0.839	S	S	*	*			trans	-151.2	83.8	168.9	0	0	0	0	0	113.5
310	L	29.3	Very low	33.7	Very low	176 Å²	176	147.1 Å²	147.1	92%	0.921	82%	0.823	S	S	*	*			trans	5	120.8	162.5	-69.6	153.2	0	0	0	119.7
311	M	30.2	Very low	34.2	Very low	184 Å²	184	145.7 Å²	145.7	91%	0.906	82%	0.822	S	S	*	*			trans	-61.7	132.8	162.4	-74.6	-172.7	83.1	0	0	112.1
312	Q	29.7	Very low	34.8	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.883	79%	0.788	S	S	*	*			trans	-111.4	130.5	155.6	-101	178.4	22.1	0	0	110.2
313	V	30.1	Very low	36.1	Very low	134 Å²	134	134.6 Å²	134.6	81%	0.812	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.2	130.7	177	-174.7	0	0	0	0	109.2
314	P	36.5	Very low	37.3	Very low	122 Å²	122	130.9 Å²	130.9	79%	0.792	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-83.2	126.9	-179.8	31.3	-30.4	0	0	0	110.8
315	N	29.4	Very low	39.4	Very low	161 Å²	161	127.8 Å²	127.8	86%	0.861	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-102.3	123.6	166	-143.9	23.5	0	0	0	107.7
316	A	35.6	Very low	41.4	Very low	92 Å²	92	119.6 Å²	119.6	76%	0.76	69%	0.69	S	S	*	*	S	Bend	trans	43.9	126.5	164.2	0	0	0	0	0	120.9
317	C	43.5	Very low	42.9	Very low	133 Å²	133	114.3 Å²	114.3	90%	0.899	66%	0.66	S	S	*	*			trans	-33.9	126.3	172.2	-58	0	0	0	0	116.7
318	S	35.4	Very low	44.2	Very low	108 Å²	108	105.4 Å²	105.4	76%	0.755	62%	0.622	S	S	*	*			trans	-136.6	121.6	157.4	59	0	0	0	0	109.8	S320	S318-S320 PolarHBondContact O-N 2.85Å
319	Y	41.5	Very low	45.7	Very low	179 Å²	179	100.9 Å²	100.9	70%	0.702	59%	0.592	S	S	*	*			trans	-55.6	119.4	169	-70.8	-92.9	0	0	0	109
320	S	42	Very low	47.3	Very low	60 Å²	60	99.2 Å²	99.2	42%	0.42	56%	0.564	S	S	.	*			trans	-89.2	133.2	-174.1	67.8	0	0	0	0	111.2	S318 S322	S318-S320 PolarHBondContact O-N 2.85Å; S320-S322 PolarHBondContact O-N 2.69Å
321	T	47.3	Very low	48.7	Very low	129 Å²	129	95.1 Å²	95.1	79%	0.791	56%	0.555	S	S	*	*			trans	-71.9	41.2	164.4	55.4	0	0	0	0	111.9
322	S	49.2	Very low	49.9	Very low	18 Å²	18	90.7 Å²	90.7	13%	0.126	54%	0.543	C	S	.	.			trans	-67.5	138.2	-173.1	178.1	0	0	0	0	110.6	S320 E324 G325	S320-S322 PolarHBondContact O-N 2.69Å; S322-E324 PolarHBondContact O-N 3.44Å; S322-E324 PolarHBondContact OG-N 3.18Å; S322-E324 PolarHBondContact OG-OE2 2.84Å; S322-G325 PolarHBondContact O-N 2.89Å; S322-G325 VanDerWaalsContact O-N 3.09Å
323	P	59.5	Low	51.1	Low	115 Å²	115	84 Å²	84	75%	0.747	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-14.2	167.3	-20.4	31.6	0	0	0	113.8
324	E	59.2	Low	52.2	Low	90 Å²	90	86.6 Å²	86.6	42%	0.421	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-7.8	178.2	-66.4	122	-168.9	0	0	114.9	V117 R121 S322	V117-E324 WeakPolarHBondContact CG1-O 3.5Å; R121-E324 PolarHBondContact NH1-O 3.5Å; S322-E324 PolarHBondContact O-N 3.44Å; S322-E324 PolarHBondContact OG-N 3.18Å; S322-E324 PolarHBondContact OG-OE2 2.84Å
325	G	73.1	Confident	53.2	Low	2 Å²	2	86.6 Å²	86.6	2%	0.021	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	-149.8	-176	0	0	0	0	0	112.7	D114 S322 A327 G328	D114-G325 WeakPolarHBondContact OD1-CA 3.3Å; S322-G325 PolarHBondContact O-N 2.89Å; S322-G325 VanDerWaalsContact O-N 3.09Å; G325-A327 PolarHBondContact O-N 2.88Å; G325-A327 VanDerWaalsContact O-N 3.09Å; G325-G328 WeakPolarHBondContact O-CA 3.38Å; G325-G328 PolarHBondContact O-N 2.83Å
326	I	72.3	Confident	55	Low	33 Å²	33	81.5 Å²	81.5	17%	0.169	49%	0.489	C	S	.	.	H	α-helix	trans	-59.2	-27.2	-178.6	-157.2	171.1	0	0	0	112.6	D114 T143 G328 Y329 M330 V345	D114-I326 HydrophobicContact CB-CB 4.18Å; D114-I326 PolarHBondContact OD1-N 3.44Å; T143-I326 HydrophobicContact CG2-CG2 4.22Å; I326-G328 PolarHBondContact O-N 3.39Å; I326-Y329 HydrophobicContact CG1-CD1 4.32Å; I326-Y329 WeakPolarHBondContact O-CB 3.45Å; I326-Y329 PolarHBondContact O-N 3.34Å; I326-M330 HydrophobicContact CD1-CE 4.03Å; I326-M330 HydrophobicContact CG1-CE 3.96Å; I326-M330 HydrophobicContact CG2-CE 3.98Å; I326-M330 HydrophobicContact CG2-SD 4.45Å; I326-M330 VanDerWaalsContact O-CG 3.24Å; I326-M330 WeakPolarHBondContact O-CG 3.46Å; I326-M330 PolarHBondContact O-N 3.1Å; I326-V345 HydrophobicContact CD1-CG2 4.13Å
327	A	61.6	Low	56.5	Low	28 Å²	28	78.3 Å²	78.3	23%	0.231	47%	0.465	C	S	.	.	H	α-helix	trans	-62.2	-31.4	174.4	0	0	0	0	0	112.4	G325 A331	G325-A327 PolarHBondContact O-N 2.88Å; G325-A327 VanDerWaalsContact O-N 3.09Å; A327-A331 WeakPolarHBondContact O-CB 3.32Å; A327-A331 PolarHBondContact O-N 3.34Å
328	G	59.2	Low	57.8	Low	11 Å²	11	76.2 Å²	76.2	11%	0.113	45%	0.45	C	S	.	.	H	α-helix	trans	-69.5	-42.7	173.1	0	0	0	0	0	112.3	G325 I326 A331 S332	G325-G328 WeakPolarHBondContact O-CA 3.38Å; G325-G328 PolarHBondContact O-N 2.83Å; I326-G328 PolarHBondContact O-N 3.39Å; G328-A331 PolarHBondContact O-N 2.83Å; G328-S332 PolarHBondContact O-N 3.22Å; G328-S332 VanDerWaalsContact O-N 3.13Å
329	Y	65.7	Low	59.6	Low	76 Å²	76	71.2 Å²	71.2	30%	0.298	42%	0.416	S	S	.	.	H	α-helix	trans	-59.1	-49.1	171.1	164.1	-98.5	0	0	0	111.1	I326 A331 S332 C333 D342	I326-Y329 HydrophobicContact CG1-CD1 4.32Å; I326-Y329 WeakPolarHBondContact O-CB 3.45Å; I326-Y329 PolarHBondContact O-N 3.34Å; Y329-A331 VanDerWaalsContact C-N 3.28Å; Y329-A331 PolarHBondContact O-N 2.83Å; Y329-S332 PolarHBondContact O-N 3.05Å; Y329-S332 PolarHBondContact O-OG 3.29Å; Y329-C333 VanDerWaalsContact CZ-SG 3.54Å; Y329-C333 PolarHBondContact O-N 2.95Å; Y329-D342 WeakPolarHBondContact CE1-OD2 3.47Å; Y329-D342 PolarHBondContact OH-OD2 2.93Å; Y329-D342 VanDerWaalsContact OH-OD2 3.09Å
330	M	63	Low	61.8	Low	44 Å²	44	67 Å²	67	22%	0.217	40%	0.402	C	S	.	.	H	α-helix	trans	-58	-38.7	178.9	-69.7	169.4	177.1	0	0	112.6	T143 H204 I326 S332 V345	T143-M330 HydrophobicContact CG2-CE 3.65Å; H204-M330 VanDerWaalsContact CD2-SD 3.51Å; H204-M330 PolarHBondContact NE2-SD 2.92Å; I326-M330 HydrophobicContact CD1-CE 4.03Å; I326-M330 HydrophobicContact CG1-CE 3.96Å; I326-M330 HydrophobicContact CG2-CE 3.98Å; I326-M330 HydrophobicContact CG2-SD 4.45Å; I326-M330 VanDerWaalsContact O-CG 3.24Å; I326-M330 WeakPolarHBondContact O-CG 3.46Å; I326-M330 PolarHBondContact O-N 3.1Å; M330-S332 VanDerWaalsContact C-N 3.33Å; M330-V345 HydrophobicContact CE-CB 4.28Å; M330-V345 HydrophobicContact CE-CG1 3.5Å; M330-V345 VanDerWaalsContact CE-CG1 3.5Å; M330-V345 HydrophobicContact CE-CG2 3.83Å
331	A	57.9	Low	64	Low	89 Å²	89	66 Å²	66	74%	0.736	39%	0.39	S	S	*	.	H	α-helix	trans	-72.8	-23.9	177.2	0	0	0	0	0	113.5	A327 G328 Y329	A327-A331 WeakPolarHBondContact O-CB 3.32Å; A327-A331 PolarHBondContact O-N 3.34Å; G328-A331 PolarHBondContact O-N 2.83Å; Y329-A331 VanDerWaalsContact C-N 3.28Å; Y329-A331 PolarHBondContact O-N 2.83Å
332	S	55.5	Low	65.9	Low	92 Å²	92	60.8 Å²	60.8	64%	0.643	36%	0.358	S	S	*	.	H	α-helix	trans	-85.4	-17.3	178.7	74.1	0	0	0	0	114	G328 Y329 M330	G328-S332 PolarHBondContact O-N 3.22Å; G328-S332 VanDerWaalsContact O-N 3.13Å; Y329-S332 PolarHBondContact O-N 3.05Å; Y329-S332 PolarHBondContact O-OG 3.29Å; M330-S332 VanDerWaalsContact C-N 3.33Å
333	C	54.7	Low	67.7	Low	48 Å²	48	63.9 Å²	63.9	32%	0.324	38%	0.378	S	S	.	.	S	Bend	trans	-73.4	148.3	173.6	-73.6	0	0	0	0	110.7	Y329	Y329-C333 VanDerWaalsContact CZ-SG 3.54Å; Y329-C333 PolarHBondContact O-N 2.95Å
334	K	54.7	Low	68.9	Low	188 Å²	188	67 Å²	67	82%	0.817	38%	0.376	S	S	*	.			trans	-50	139.9	171.6	-75.3	-176.1	178.1	-178.9	0	109.1	L336	K334-L336 PolarHBondContact O-N 3.44Å
335	P	58	Low	70.3	Confident	123 Å²	123	63 Å²	63	80%	0.799	36%	0.358	S	S	*	.			trans	-55.2	113.3	176.2	21.7	-31.1	0	0	0	108.4	G337	P335-G337 PolarHBondContact O-N 2.69Å
336	L	66.8	Low	71.3	Confident	53 Å²	53	63.3 Å²	63.3	28%	0.277	36%	0.359	S	S	.	.			trans	-61.5	125.9	175.2	-73.8	169.8	0	0	0	107.6	R205 K334 E340	R205-L336 VanDerWaalsContact NH1-CB 3.29Å; R205-L336 PolarHBondContact NH2-O 3.16Å; K334-L336 PolarHBondContact O-N 3.44Å; L336-E340 HydrophobicContact CB-CB 3.88Å; L336-E340 HydrophobicContact CD2-CB 3.94Å; L336-E340 HydrophobicContact CG-CB 4.46Å
337	G	65.8	Low	72.3	Confident	26 Å²	26	64 Å²	64	27%	0.268	36%	0.364	S	S	.	.			trans	-65.4	175.7	-179.8	0	0	0	0	0	113	P335 G339 E340	P335-G337 PolarHBondContact O-N 2.69Å; G337-G339 PolarHBondContact O-N 2.94Å; G337-G339 VanDerWaalsContact O-N 3.16Å; G337-E340 PolarHBondContact N-OE2 3.27Å; G337-E340 WeakPolarHBondContact O-CB 3.46Å; G337-E340 PolarHBondContact O-N 2.97Å
338	P	72.1	Confident	74	Confident	88 Å²	88	63 Å²	63	57%	0.571	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	121.8	-179.9	-28.5	35.8	0	0	0	112.7	E340	P338-E340 PolarHBondContact O-N 3.39Å
339	G	73.4	Confident	75.7	Confident	4 Å²	4	63.2 Å²	63.2	4%	0.041	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	6.5	-177.2	0	0	0	0	0	116.4	G337 R351	G337-G339 PolarHBondContact O-N 2.94Å; G337-G339 VanDerWaalsContact O-N 3.16Å; G339-R351 PolarHBondContact O-NH2 3.04Å
340	E	86.3	Confident	77.2	Confident	90 Å²	90	60.9 Å²	60.9	42%	0.421	35%	0.348	S	S	.	.			trans	-75.6	140.2	168	-65.3	-173.4	165.2	0	0	111.1	L336 G337 P338	L336-E340 HydrophobicContact CB-CB 3.88Å; L336-E340 HydrophobicContact CD2-CB 3.94Å; L336-E340 HydrophobicContact CG-CB 4.46Å; G337-E340 PolarHBondContact N-OE2 3.27Å; G337-E340 WeakPolarHBondContact O-CB 3.46Å; G337-E340 PolarHBondContact O-N 2.97Å; P338-E340 PolarHBondContact O-N 3.39Å
341	F	88.1	Confident	78.7	Confident	38 Å²	38	63.5 Å²	63.5	17%	0.167	36%	0.355	C	S	.	.			trans	-136.2	152.7	-179.8	58.4	-95.6	0	0	0	109.9	L206 P343 D346 A349 R351 V361	L206-F341 HydrophobicContact CD1-CB 4.05Å; L206-F341 HydrophobicContact CD1-CD1 4.27Å; F341-P343 WeakPolarHBondContact O-CD 3.2Å; F341-D346 HydrophobicContact CB-CB 4.23Å; F341-D346 WeakPolarHBondContact CB-OD2 3.28Å; F341-D346 HydrophobicContact CD2-CB 4.32Å; F341-A349 HydrophobicContact CD1-CB 4.16Å; F341-A349 HydrophobicContact CD2-CB 3.57Å; F341-A349 HydrophobicContact CE1-CB 4.04Å; F341-A349 HydrophobicContact CE2-CB 3.45Å; F341-A349 VanDerWaalsContact CE2-CB 3.45Å; F341-A349 HydrophobicContact CG-CB 3.93Å; F341-A349 HydrophobicContact CZ-CB 3.69Å; F341-R351 HydrophobicContact CE1-CB 4.29Å; F341-V361 HydrophobicContact CD1-CG1 3.85Å; F341-V361 HydrophobicContact CD1-CG2 4.11Å; F341-V361 HydrophobicContact CE1-CG1 3.77Å; F341-V361 HydrophobicContact CE1-CG2 4.08Å
342	D	87.8	Confident	80.5	Confident	21 Å²	21	60 Å²	60	11%	0.112	33%	0.326	C	S	.	.			trans	-84.5	114.4	173.6	-174.1	-25.8	0	0	0	109	Y329 Y344 V345 D346	Y329-D342 WeakPolarHBondContact CE1-OD2 3.47Å; Y329-D342 PolarHBondContact OH-OD2 2.93Å; Y329-D342 VanDerWaalsContact OH-OD2 3.09Å; D342-Y344 PolarHBondContact O-N 3.48Å; D342-Y344 VanDerWaalsContact O-N 3.16Å; D342-Y344 WeakPolarHBondContact OD1-CB 3.48Å; D342-Y344 WeakPolarHBondContact OD1-CD2 3.35Å; D342-Y344 PolarHBondContact OD1-N 3.18Å; D342-V345 HydrophobicContact CB-CB 4.2Å; D342-V345 HydrophobicContact CB-CG2 4.02Å; D342-V345 PolarHBondContact O-N 2.83Å; D342-V345 VanDerWaalsContact O-N 3.07Å; D342-D346 PolarHBondContact O-N 3.05Å
343	P	87.4	Confident	82.4	Confident	83 Å²	83	56.7 Å²	56.7	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.1	-178.4	28.6	-35.9	0	0	0	114	F341	F341-P343 WeakPolarHBondContact O-CD 3.2Å
344	Y	85.2	Confident	84.1	Confident	179 Å²	179	60.7 Å²	60.7	70%	0.702	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-24.2	174.2	-63.1	-78.5	0	0	0	112.7	R199 D342 V347	R199-Y344 PolarHBondContact NH1-O 2.99Å; D342-Y344 PolarHBondContact O-N 3.48Å; D342-Y344 VanDerWaalsContact O-N 3.16Å; D342-Y344 WeakPolarHBondContact OD1-CB 3.48Å; D342-Y344 WeakPolarHBondContact OD1-CD2 3.35Å; D342-Y344 PolarHBondContact OD1-N 3.18Å; Y344-V347 WeakPolarHBondContact O-CG1 3.41Å
345	V	88.1	Confident	85.8	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.042	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-56.2	175.7	-176.5	0	0	0	0	109.8	T143 R199 H204 I326 M330 D342 V347	T143-V345 HydrophobicContact CG2-CG1 4.34Å; R199-V345 PolarHBondContact NH1-O 3.04Å; H204-V345 WeakPolarHBondContact ND1-CG1 3.39Å; I326-V345 HydrophobicContact CD1-CG2 4.13Å; M330-V345 HydrophobicContact CE-CB 4.28Å; M330-V345 HydrophobicContact CE-CG1 3.5Å; M330-V345 VanDerWaalsContact CE-CG1 3.5Å; M330-V345 HydrophobicContact CE-CG2 3.83Å; D342-V345 HydrophobicContact CB-CB 4.2Å; D342-V345 HydrophobicContact CB-CG2 4.02Å; D342-V345 PolarHBondContact O-N 2.83Å; D342-V345 VanDerWaalsContact O-N 3.07Å; V345-V347 VanDerWaalsContact C-N 3.27Å; V345-V347 PolarHBondContact O-N 3.08Å; V345-V347 VanDerWaalsContact O-N 3.12Å
346	D	92.7	Very high	87.4	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.048	30%	0.301	C	S	.	.	S	Bend	trans	-92.2	58	-175.6	-60.7	-21.3	0	0	0	109.7	S203 H204 F341 D342 Y348 A349 F363	S203-D346 WeakPolarHBondContact CA-OD1 3.28Å; S203-D346 VanDerWaalsContact CB-OD2 3.29Å; S203-D346 WeakPolarHBondContact CB-OD2 3.29Å; S203-D346 VanDerWaalsContact OG-CG 3.31Å; S203-D346 PolarHBondContact OG-OD1 2.89Å; S203-D346 PolarHBondContact OG-OD2 2.96Å; H204-D346 IonicContact CE1-OD1 2.98Å; H204-D346 IonicContact CE1-OD2 3.01Å; H204-D346 IonicContact ND1-OD1 2.72Å; H204-D346 PolarHBondContact ND1-OD1 3.31Å; H204-D346 IonicContact ND1-OD2 3.73Å; F341-D346 HydrophobicContact CB-CB 4.23Å; F341-D346 WeakPolarHBondContact CB-OD2 3.28Å; F341-D346 HydrophobicContact CD2-CB 4.32Å; D342-D346 PolarHBondContact O-N 3.05Å; D346-Y348 PolarHBondContact O-N 3.28Å; D346-A349 HydrophobicContact CB-CB 4.04Å; D346-A349 WeakPolarHBondContact O-CB 3.13Å; D346-A349 PolarHBondContact O-N 3.46Å; D346-F363 HydrophobicContact CB-CE1 4.31Å
347	V	94.7	Very high	88.7	Confident	47 Å²	47	52.9 Å²	52.9	29%	0.285	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15	-169.6	-57.7	0	0	0	0	115.1	Y344 V345	Y344-V347 WeakPolarHBondContact O-CG1 3.41Å; V345-V347 VanDerWaalsContact C-N 3.27Å; V345-V347 PolarHBondContact O-N 3.08Å; V345-V347 VanDerWaalsContact O-N 3.12Å
348	Y	96.1	Very high	90	Very high	8 Å²	8	55.8 Å²	55.8	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.9	178.9	-60.6	-78	0	0	0	113.2	L177 Q179 M201 D346 F363 M364	L177-Y348 PolarHBondContact O-OH 3.37Å; Q179-Y348 WeakPolarHBondContact CG-OH 3.48Å; M201-Y348 HydrophobicContact CB-CD2 4.17Å; M201-Y348 HydrophobicContact CB-CE2 4.41Å; M201-Y348 HydrophobicContact CG-CD2 4.21Å; M201-Y348 HydrophobicContact CG-CE2 3.97Å; D346-Y348 PolarHBondContact O-N 3.28Å; Y348-F363 WeakPolarHBondContact O-CA 3.24Å; Y348-M364 VanDerWaalsContact CD1-O 3.29Å; Y348-M364 WeakPolarHBondContact CD1-O 3.32Å; Y348-M364 PolarHBondContact O-N 3.02Å; Y348-M364 VanDerWaalsContact O-N 3.1Å
349	A	96.6	Very high	91	Very high	15 Å²	15	58.9 Å²	58.9	12%	0.124	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	139.3	-173.5	0	0	0	0	0	112.9	F341 D346 V361 Y362 F363	F341-A349 HydrophobicContact CD1-CB 4.16Å; F341-A349 HydrophobicContact CD2-CB 3.57Å; F341-A349 HydrophobicContact CE1-CB 4.04Å; F341-A349 HydrophobicContact CE2-CB 3.45Å; F341-A349 VanDerWaalsContact CE2-CB 3.45Å; F341-A349 HydrophobicContact CG-CB 3.93Å; F341-A349 HydrophobicContact CZ-CB 3.69Å; D346-A349 HydrophobicContact CB-CB 4.04Å; D346-A349 WeakPolarHBondContact O-CB 3.13Å; D346-A349 PolarHBondContact O-N 3.46Å; A349-V361 HydrophobicContact CB-CG1 4.04Å; A349-Y362 CarbonylContact C-O 3.48Å; A349-Y362 VanDerWaalsContact CA-O 3.26Å; A349-Y362 WeakPolarHBondContact CA-O 3.46Å; A349-F363 HydrophobicContact CB-CD1 3.82Å; A349-F363 HydrophobicContact CB-CE1 3.55Å; A349-F363 HydrophobicContact CB-CZ 4.4Å
350	I	95.7	Very high	92.1	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.138	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	126.4	176.8	-50.8	-172.6	0	0	0	108.5	V249 Q253 V257 Y362 M364	V249-I350 HydrophobicContact CG1-CG2 3.83Å; Q253-I350 HydrophobicContact CB-CG2 4.22Å; Q253-I350 HydrophobicContact CG-CG2 4.2Å; V257-I350 HydrophobicContact CG2-CD1 3.07Å; I350-Y362 PolarHBondContact N-O 3.04Å; I350-Y362 PolarHBondContact O-N 2.84Å; I350-M364 HydrophobicContact CB-CE 4.48Å; I350-M364 HydrophobicContact CD1-CE 3.46Å; I350-M364 VanDerWaalsContact CD1-CE 3.46Å; I350-M364 HydrophobicContact CG1-CE 4.2Å
351	R	95.2	Very high	92.6	Very high	99 Å²	99	54.6 Å²	54.6	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141	176.8	-171.3	173.6	-77.2	-136.7	-0.7	110.5	Q253 G339 F341	Q253-R351 PolarHBondContact NE2-O 2.68Å; Q253-R351 PolarHBondContact OE1-O 3.47Å; G339-R351 PolarHBondContact O-NH2 3.04Å; F341-R351 HydrophobicContact CE1-CB 4.29Å
352	S	95.5	Very high	93.1	Very high	16 Å²	16	52.8 Å²	52.8	11%	0.112	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-56.8	150.6	170.4	50.7	0	0	0	0	113.3	Y248 E360	Y248-S352 CarbonylContact O-C 3.5Å; Y248-S352 WeakPolarHBondContact O-CA 3.37Å; Y248-S352 WeakPolarHBondContact O-CB 3.23Å; S352-E360 VanDerWaalsContact CB-O 3.31Å; S352-E360 WeakPolarHBondContact CB-O 3.39Å; S352-E360 PolarHBondContact N-O 3.07Å; S352-E360 PolarHBondContact OG-N 2.83Å; S352-E360 PolarHBondContact OG-O 3.02Å
353	A	95.6	Very high	93.6	Very high	21 Å²	21	51.8 Å²	51.8	17%	0.174	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-66.8	150.4	179.5	0	0	0	0	0	112.3	Y248 N250 G355 A356	Y248-A353 PolarHBondContact O-N 3.29Å; N250-A353 HydrophobicContact CB-CB 4.46Å; A353-G355 PolarHBondContact O-N 3.42Å; A353-A356 WeakPolarHBondContact O-CB 3.23Å; A353-A356 PolarHBondContact O-N 3.42Å
354	P	90.4	Very high	94.1	Very high	132 Å²	132	47.9 Å²	47.9	86%	0.857	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	123.2	167.3	-21.2	32.8	0	0	0	110.3
355	G	89.3	Confident	94.6	Very high	83 Å²	83	39.3 Å²	39.3	86%	0.856	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.4	1.9	-176.8	0	0	0	0	0	115.3	A353	A353-G355 PolarHBondContact O-N 3.42Å
356	A	93.4	Very high	95.1	Very high	22 Å²	22	39 Å²	39	18%	0.182	23%	0.233	C	C	.	.			trans	-56.5	145.7	167.9	0	0	0	0	0	111.1	Y248 A353 Q358	Y248-A356 HydrophobicContact CG-CB 4.15Å; A353-A356 WeakPolarHBondContact O-CB 3.23Å; A353-A356 PolarHBondContact O-N 3.42Å; A356-Q358 WeakPolarHBondContact CB-O 3.26Å; A356-Q358 PolarHBondContact O-N 2.74Å
357	P	92.9	Very high	95.2	Very high	96 Å²	96	40 Å²	40	62%	0.623	24%	0.238	S	C	*	.	S	Bend	trans	-58.9	-30.4	179.8	-24.8	34.3	0	0	0	113.7	Y248	Y248-P357 HydrophobicContact CD1-CG 4.4Å; Y248-P357 HydrophobicContact CE1-CG 3.86Å; Y248-P357 HydrophobicContact CE2-CG 4.1Å
358	Q	92.6	Very high	94.9	Very high	87 Å²	87	40.9 Å²	40.9	41%	0.407	24%	0.241	S	C	.	.	S	Bend	trans	-130.8	142.7	176	-66.2	-177.5	-12.1	0	0	108.8	D284 A356 E360	D284-Q358 PolarHBondContact OD2-OE1 3.16Å; A356-Q358 WeakPolarHBondContact CB-O 3.26Å; A356-Q358 PolarHBondContact O-N 2.74Å; Q358-E360 HydrophobicContact CB-CG 3.91Å; Q358-E360 PolarHBondContact O-N 3.16Å
359	K	94.1	Very high	94.7	Very high	153 Å²	153	40.9 Å²	40.9	67%	0.665	24%	0.242	S	C	*	.			trans	-78.2	109.2	170.5	-68.2	-179.8	-176.2	173	0	108	L285	L285-K359 HydrophobicContact CB-CB 4.11Å; L285-K359 WeakPolarHBondContact CB-O 3.28Å; L285-K359 HydrophobicContact CD1-CB 4.41Å; L285-K359 VanDerWaalsContact CD1-O 3.28Å; L285-K359 WeakPolarHBondContact CD1-O 3.34Å; L285-K359 HydrophobicContact CD2-CB 4.22Å; L285-K359 HydrophobicContact CG-CB 4.49Å; L285-K359 PolarHBondContact N-O 2.89Å
360	E	96.3	Very high	94.2	Very high	3 Å²	3	41 Å²	41	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.4	-176.4	-61.1	179.2	128	0	0	112.3	R210 I282 H283 S352 Q358 Y362	R210-E360 IonicContact CZ-OE1 3.63Å; R210-E360 IonicContact NH2-OE1 3.38Å; R210-E360 PolarHBondContact NH2-OE1 3.42Å; I282-E360 HydrophobicContact CG2-CB 4.1Å; I282-E360 HydrophobicContact CG2-CG 4.07Å; I282-E360 WeakPolarHBondContact CG2-OE1 3.13Å; H283-E360 CarbonylContact O-C 3.54Å; H283-E360 WeakPolarHBondContact O-CA 3.47Å; H283-E360 WeakPolarHBondContact O-CB 3.26Å; S352-E360 VanDerWaalsContact CB-O 3.31Å; S352-E360 WeakPolarHBondContact CB-O 3.39Å; S352-E360 PolarHBondContact N-O 3.07Å; S352-E360 PolarHBondContact OG-N 2.83Å; S352-E360 PolarHBondContact OG-O 3.02Å; Q358-E360 HydrophobicContact CB-CG 3.91Å; Q358-E360 PolarHBondContact O-N 3.16Å; E360-Y362 HydrophobicContact CB-CE1 3.87Å; E360-Y362 WeakPolarHBondContact OE2-CE1 3.49Å; E360-Y362 VanDerWaalsContact OE2-CZ 3.22Å; E360-Y362 PolarHBondContact OE2-OH 3.37Å
361	V	97.2	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	162.8	177.4	0	0	0	0	108.3	L206 H283 L285 F341 A349 F363	L206-V361 HydrophobicContact CD1-CB 4.26Å; L206-V361 HydrophobicContact CD1-CG1 4.19Å; L206-V361 HydrophobicContact CD1-CG2 4.13Å; H283-V361 HydrophobicContact CB-CB 4.29Å; H283-V361 PolarHBondContact N-O 3.28Å; H283-V361 PolarHBondContact O-N 3.23Å; L285-V361 HydrophobicContact CD1-CG2 4.05Å; F341-V361 HydrophobicContact CD1-CG1 3.85Å; F341-V361 HydrophobicContact CD1-CG2 4.11Å; F341-V361 HydrophobicContact CE1-CG1 3.77Å; F341-V361 HydrophobicContact CE1-CG2 4.08Å; A349-V361 HydrophobicContact CB-CG1 4.04Å; V361-F363 HydrophobicContact CG1-CE1 4.31Å; V361-F363 HydrophobicContact CG1-CE2 4.03Å; V361-F363 HydrophobicContact CG1-CZ 3.79Å
362	Y	97.9	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.3	-179.8	-51.3	-67.2	0	0	0	110.2	V247 Y248 V249 L280 G281 I282 A349 I350 E360	V247-Y362 HydrophobicContact CG1-CD1 4.1Å; V247-Y362 HydrophobicContact CG1-CD2 3.66Å; V247-Y362 HydrophobicContact CG1-CE1 4.2Å; V247-Y362 HydrophobicContact CG1-CE2 3.73Å; V247-Y362 HydrophobicContact CG1-CG 3.84Å; V247-Y362 HydrophobicContact CG2-CD1 4.49Å; Y248-Y362 PolarHBondContact N-OH 2.86Å; V249-Y362 HydrophobicContact CG1-CD2 3.8Å; V249-Y362 HydrophobicContact CG1-CE2 3.84Å; L280-Y362 HydrophobicContact CD1-CD1 4.38Å; G281-Y362 CarbonylContact O-C 3.58Å; G281-Y362 WeakPolarHBondContact O-CA 3.45Å; I282-Y362 HydrophobicContact CD1-CE1 4.47Å; I282-Y362 HydrophobicContact CG1-CD1 4.13Å; I282-Y362 HydrophobicContact CG2-CD1 4.06Å; I282-Y362 HydrophobicContact CG2-CE1 3.98Å; A349-Y362 CarbonylContact C-O 3.48Å; A349-Y362 VanDerWaalsContact CA-O 3.26Å; A349-Y362 WeakPolarHBondContact CA-O 3.46Å; I350-Y362 PolarHBondContact N-O 3.04Å; I350-Y362 PolarHBondContact O-N 2.84Å; E360-Y362 HydrophobicContact CB-CE1 3.87Å; E360-Y362 WeakPolarHBondContact OE2-CE1 3.49Å; E360-Y362 VanDerWaalsContact OE2-CZ 3.22Å; E360-Y362 PolarHBondContact OE2-OH 3.37Å
363	F	98	Very high	91.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.4	171.1	-59.1	-83.9	0	0	0	108.6	F202 S203 L206 V208 L280 G281 H283 D346 Y348 A349 V361	F202-F363 HydrophobicContact CD1-CB 3.75Å; F202-F363 HydrophobicContact CD1-CD2 4.47Å; F202-F363 HydrophobicContact CD1-CG 4.21Å; F202-F363 HydrophobicContact CE1-CB 4.28Å; S203-F363 VanDerWaalsContact CB-CZ 3.4Å; L206-F363 HydrophobicContact CB-CE2 4.44Å; L206-F363 HydrophobicContact CB-CZ 4.04Å; L206-F363 HydrophobicContact CD1-CZ 4.15Å; V208-F363 HydrophobicContact CG2-CD2 4.18Å; V208-F363 HydrophobicContact CG2-CE2 4.42Å; L280-F363 CarbonylContact C-O 3.53Å; L280-F363 WeakPolarHBondContact CA-O 3.41Å; G281-F363 PolarHBondContact N-O 3.22Å; G281-F363 PolarHBondContact O-N 3.49Å; H283-F363 HydrophobicContact CB-CE2 4.03Å; D346-F363 HydrophobicContact CB-CE1 4.31Å; Y348-F363 WeakPolarHBondContact O-CA 3.24Å; A349-F363 HydrophobicContact CB-CD1 3.82Å; A349-F363 HydrophobicContact CB-CE1 3.55Å; A349-F363 HydrophobicContact CB-CZ 4.4Å; V361-F363 HydrophobicContact CG1-CE1 4.31Å; V361-F363 HydrophobicContact CG1-CE2 4.03Å; V361-F363 HydrophobicContact CG1-CZ 3.79Å
364	M	97.6	Very high	89.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.4	-174.1	-68.9	-177.8	-71.1	0	0	111.9	L176 V257 L278 L279 L280 Y348 I350 F414	L176-M364 WeakPolarHBondContact CD2-O 3.28Å; V257-M364 HydrophobicContact CG1-CE 4.42Å; V257-M364 HydrophobicContact CG2-CE 4.22Å; L278-M364 HydrophobicContact CD2-SD 4.49Å; L279-M364 WeakPolarHBondContact O-CA 3.29Å; L280-M364 HydrophobicContact CD1-CG 3.45Å; L280-M364 VanDerWaalsContact CD1-CG 3.45Å; L280-M364 HydrophobicContact CD1-SD 4.01Å; Y348-M364 VanDerWaalsContact CD1-O 3.29Å; Y348-M364 WeakPolarHBondContact CD1-O 3.32Å; Y348-M364 PolarHBondContact O-N 3.02Å; Y348-M364 VanDerWaalsContact O-N 3.1Å; I350-M364 HydrophobicContact CB-CE 4.48Å; I350-M364 HydrophobicContact CD1-CE 3.46Å; I350-M364 VanDerWaalsContact CD1-CE 3.46Å; I350-M364 HydrophobicContact CG1-CE 4.2Å; M364-F414 HydrophobicContact CE-CE1 4.17Å; M364-F414 HydrophobicContact CE-CZ 4.45Å; M364-F414 HydrophobicContact SD-CE1 4.23Å; M364-F414 HydrophobicContact SD-CZ 4.25Å
365	G	97.6	Very high	88.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	173.3	167.3	0	0	0	0	0	113.1	L176 M201 L278 L279	L176-G365 CarbonylContact O-C 3.43Å; L176-G365 WeakPolarHBondContact O-CA 3.22Å; M201-G365 VanDerWaalsContact CE-N 3.28Å; M201-G365 WeakPolarHBondContact CE-O 3.32Å; L278-G365 CarbonylContact C-O 3.58Å; L278-G365 WeakPolarHBondContact CA-O 3.2Å; L278-G365 WeakPolarHBondContact CD1-O 3.23Å; L279-G365 PolarHBondContact N-O 2.8Å; L279-G365 PolarHBondContact O-N 2.83Å
366	L	97.9	Very high	86.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.6	-177.6	-62.9	171.7	0	0	0	110.5	L176 L177 P178 L261 D264 L268 Y276 S277 L278 V369 F406	L176-L366 HydrophobicContact CB-CD1 4.37Å; L176-L366 HydrophobicContact CB-CG 4.18Å; L176-L366 PolarHBondContact O-N 2.96Å; L177-L366 HydrophobicContact CD2-CB 4.39Å; L177-L366 HydrophobicContact CD2-CD1 3.82Å; L177-L366 HydrophobicContact CG-CD1 4.49Å; P178-L366 WeakPolarHBondContact CD-O 3.4Å; P178-L366 VanDerWaalsContact CG-O 3.27Å; P178-L366 WeakPolarHBondContact CG-O 3.5Å; L261-L366 HydrophobicContact CD1-CD2 4Å; L261-L366 HydrophobicContact CD1-CG 4.48Å; D264-L366 HydrophobicContact CB-CD1 3.82Å; L268-L366 HydrophobicContact CD1-CD1 4.13Å; Y276-L366 HydrophobicContact CD2-CD2 4.23Å; S277-L366 CarbonylContact O-C 3.59Å; S277-L366 VanDerWaalsContact O-CA 3.29Å; S277-L366 WeakPolarHBondContact O-CA 3.44Å; L278-L366 HydrophobicContact CD1-CD2 4.11Å; L366-V369 HydrophobicContact CB-CG1 4.19Å; L366-F406 HydrophobicContact CD2-CE1 3.75Å; L366-F406 HydrophobicContact CD2-CZ 3.47Å; L366-F406 VanDerWaalsContact CD2-CZ 3.47Å
367	I	94.8	Very high	85.5	Confident	30 Å²	30	47.9 Å²	47.9	15%	0.154	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	165.4	176.6	60.5	164.7	0	0	0	111.6	M201 Y276 S277 L279 V369	M201-I367 HydrophobicContact CE-CG2 4.01Å; M201-I367 HydrophobicContact SD-CG2 3.32Å; M201-I367 WeakPolarHBondContact SD-CG2 3.33Å; Y276-I367 WeakPolarHBondContact CA-O 3.35Å; Y276-I367 WeakPolarHBondContact CB-O 3.1Å; S277-I367 PolarHBondContact N-O 2.89Å; S277-I367 VanDerWaalsContact N-O 3.15Å; S277-I367 PolarHBondContact O-N 2.77Å; L279-I367 HydrophobicContact CB-CD1 4.02Å; L279-I367 HydrophobicContact CB-CG1 4.18Å; L279-I367 HydrophobicContact CB-CG2 3.9Å; L279-I367 HydrophobicContact CD1-CD1 4.47Å; L279-I367 HydrophobicContact CD2-CG2 4.16Å; I367-V369 VanDerWaalsContact C-N 3.34Å; I367-V369 PolarHBondContact O-N 2.67Å
368	D	88.8	Confident	83.9	Confident	66 Å²	66	48.8 Å²	48.8	35%	0.353	24%	0.236	S	C	.	.			trans	56.1	42.2	178.7	-64.5	-25	0	0	0	114.3	K147 L370	K147-D368 IonicContact NZ-OD1 3.92Å; K147-D368 PolarHBondContact NZ-OD1 2.87Å; D368-L370 VanDerWaalsContact C-N 3.27Å; D368-L370 PolarHBondContact O-N 3.33Å
369	V	91.6	Very high	82.3	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.042	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	19.5	-176.4	-57.4	0	0	0	0	114.9	L177 P178 F180 L268 I273 L366 I367	L177-V369 HydrophobicContact CD2-CG1 4Å; P178-V369 HydrophobicContact CG-CG2 3.85Å; F180-V369 HydrophobicContact CE2-CG2 4.26Å; F180-V369 HydrophobicContact CZ-CG2 3.89Å; L268-V369 HydrophobicContact CD1-CG1 4.13Å; L268-V369 HydrophobicContact CD2-CB 3.95Å; L268-V369 HydrophobicContact CD2-CG1 4.18Å; I273-V369 WeakPolarHBondContact CD1-O 3.4Å; I273-V369 WeakPolarHBondContact CG2-O 3.36Å; L366-V369 HydrophobicContact CB-CG1 4.19Å; I367-V369 VanDerWaalsContact C-N 3.34Å; I367-V369 PolarHBondContact O-N 2.67Å
370	L	85.3	Confident	80.7	Confident	19 Å²	19	41.9 Å²	41.9	10%	0.099	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-8.5	178.7	-63.4	-179.2	0	0	0	113.5	D153 M157 I160 D368 Q372	D153-L370 HydrophobicContact CB-CD1 4.23Å; M157-L370 HydrophobicContact CB-CD2 4.35Å; M157-L370 HydrophobicContact CE-CD2 3.96Å; M157-L370 HydrophobicContact SD-CD2 4.39Å; I160-L370 HydrophobicContact CD1-CD2 3.59Å; I160-L370 HydrophobicContact CG1-CD2 4.44Å; D368-L370 VanDerWaalsContact C-N 3.27Å; D368-L370 PolarHBondContact O-N 3.33Å; L370-Q372 PolarHBondContact O-N 2.8Å; L370-Q372 VanDerWaalsContact O-N 3.07Å
371	T	78.4	Confident	78.9	Confident	43 Å²	43	44.1 Å²	44.1	26%	0.264	23%	0.232	S	C	.	.			trans	-75.6	101.5	-178.1	-59.9	0	0	0	0	111.4	M274 D275	M274-T371 PolarHBondContact N-O 3.49Å; M274-T371 VanDerWaalsContact N-O 3.09Å; D275-T371 HydrophobicContact CB-CG2 4.5Å
372	Q	76.8	Confident	77.1	Confident	67 Å²	67	46.6 Å²	46.6	31%	0.313	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-77.9	145.4	175.6	-62.3	-169.2	15.5	0	0	112.7	L370 D374	L370-Q372 PolarHBondContact O-N 2.8Å; L370-Q372 VanDerWaalsContact O-N 3.07Å; Q372-D374 PolarHBondContact O-N 2.83Å
373	Y	70.4	Confident	75.4	Confident	33 Å²	33	49.5 Å²	49.5	13%	0.129	28%	0.277	C	S	.	.			trans	-78.8	83.9	172.6	-173.2	-125.8	0	0	0	111.6	K272 M274 K377 K378 P399	K272-Y373 VanDerWaalsContact O-CB 3.28Å; K272-Y373 WeakPolarHBondContact O-CB 3.4Å; K272-Y373 PolarHBondContact O-N 2.67Å; M274-Y373 HydrophobicContact CE-CD2 4.33Å; M274-Y373 HydrophobicContact SD-CD2 3.1Å; M274-Y373 WeakPolarHBondContact SD-CD2 3.45Å; M274-Y373 HydrophobicContact SD-CE2 3.85Å; M274-Y373 HydrophobicContact SD-CG 3.68Å; Y373-K377 HydrophobicContact CD2-CB 3.53Å; Y373-K377 HydrophobicContact CE2-CB 3.89Å; Y373-K378 HydrophobicContact CD1-CG 4.41Å; Y373-K378 HydrophobicContact CE1-CD 4.33Å; Y373-K378 HydrophobicContact CE1-CG 3.63Å; Y373-K378 HydrophobicContact CE2-CG 3.98Å; Y373-K378 VanDerWaalsContact CZ-CG 3.42Å; Y373-K378 WeakPolarHBondContact OH-CG 3.1Å; Y373-P399 HydrophobicContact CD1-CG 4.23Å; Y373-P399 HydrophobicContact CG-CG 4.33Å
374	D	65.8	Low	73.8	Confident	66 Å²	66	52.9 Å²	52.9	35%	0.353	29%	0.292	S	S	.	.			trans	-89.1	-178.9	177.1	78.1	-4.4	0	0	0	113.2	Q372 K376 K377 K378	Q372-D374 PolarHBondContact O-N 2.83Å; D374-K376 VanDerWaalsContact C-N 3.26Å; D374-K376 PolarHBondContact O-N 3.39Å; D374-K376 WeakPolarHBondContact OD1-CA 3.21Å; D374-K376 WeakPolarHBondContact OD1-CB 3.31Å; D374-K376 PolarHBondContact OD1-N 3.06Å; D374-K377 PolarHBondContact O-N 3.27Å; D374-K377 WeakPolarHBondContact OD1-CG 3.47Å; D374-K377 PolarHBondContact OD1-N 2.84Å; D374-K378 PolarHBondContact O-N 2.98Å; D374-K378 VanDerWaalsContact O-N 3.08Å
375	T	54.8	Low	71.9	Confident	110 Å²	110	54.6 Å²	54.6	68%	0.675	30%	0.302	S	S	*	.	H	α-helix	trans	-63.3	-28.9	178	49.8	0	0	0	0	113.3	K378 A379	T375-K378 PolarHBondContact O-N 2.95Å; T375-A379 PolarHBondContact O-N 3.23Å
376	K	63.5	Low	70.3	Confident	160 Å²	160	60.7 Å²	60.7	70%	0.696	34%	0.339	S	S	*	.	H	α-helix	trans	-68.8	-38.8	174.8	-61.6	175.2	-180	171.4	0	110.7	D374 A379 A380	D374-K376 VanDerWaalsContact C-N 3.26Å; D374-K376 PolarHBondContact O-N 3.39Å; D374-K376 WeakPolarHBondContact OD1-CA 3.21Å; D374-K376 WeakPolarHBondContact OD1-CB 3.31Å; D374-K376 PolarHBondContact OD1-N 3.06Å; K376-A379 WeakPolarHBondContact O-CB 3.42Å; K376-A379 PolarHBondContact O-N 3.09Å; K376-A380 PolarHBondContact O-N 3.17Å
377	K	62.4	Low	68.8	Low	65 Å²	65	68.6 Å²	68.6	28%	0.283	37%	0.374	S	S	.	.	H	α-helix	trans	-69.9	-33.6	175.7	-65.1	-69.4	-175.9	164	0	112.7	D275 Y373 D374 A379 A380 H381	D275-K377 IonicContact OD2-NZ 3.57Å; Y373-K377 HydrophobicContact CD2-CB 3.53Å; Y373-K377 HydrophobicContact CE2-CB 3.89Å; D374-K377 PolarHBondContact O-N 3.27Å; D374-K377 WeakPolarHBondContact OD1-CG 3.47Å; D374-K377 PolarHBondContact OD1-N 2.84Å; K377-A379 VanDerWaalsContact C-N 3.32Å; K377-A379 PolarHBondContact O-N 3.5Å; K377-A380 PolarHBondContact O-N 3.34Å; K377-H381 WeakPolarHBondContact O-CB 3.25Å; K377-H381 PolarHBondContact O-N 2.97Å
378	K	59.8	Low	67.1	Low	114 Å²	114	71.2 Å²	71.2	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-58.5	-43.7	169	-70.6	177	-178.7	-176.7	0	111.9	Y373 D374 T375 H381 A382	Y373-K378 HydrophobicContact CD1-CG 4.41Å; Y373-K378 HydrophobicContact CE1-CD 4.33Å; Y373-K378 HydrophobicContact CE1-CG 3.63Å; Y373-K378 HydrophobicContact CE2-CG 3.98Å; Y373-K378 VanDerWaalsContact CZ-CG 3.42Å; Y373-K378 WeakPolarHBondContact OH-CG 3.1Å; D374-K378 PolarHBondContact O-N 2.98Å; D374-K378 VanDerWaalsContact O-N 3.08Å; T375-K378 PolarHBondContact O-N 2.95Å; K378-H381 PolarHBondContact O-N 3.17Å; K378-A382 PolarHBondContact O-N 3.04Å; K378-A382 VanDerWaalsContact O-N 3.09Å
379	A	58.8	Low	65.3	Low	62 Å²	62	69.7 Å²	69.7	51%	0.512	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-42.1	176	0	0	0	0	0	112.3	T375 K376 K377 H381 A382 A383	T375-A379 PolarHBondContact O-N 3.23Å; K376-A379 WeakPolarHBondContact O-CB 3.42Å; K376-A379 PolarHBondContact O-N 3.09Å; K377-A379 VanDerWaalsContact C-N 3.32Å; K377-A379 PolarHBondContact O-N 3.5Å; A379-H381 PolarHBondContact O-N 3.21Å; A379-A382 PolarHBondContact O-N 2.91Å; A379-A383 PolarHBondContact O-N 3.2Å
380	A	62.1	Low	63.5	Low	33 Å²	33	74.1 Å²	74.1	27%	0.273	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-40	174.4	0	0	0	0	0	112.9	K376 K377 A383 K384	K376-A380 PolarHBondContact O-N 3.17Å; K377-A380 PolarHBondContact O-N 3.34Å; A380-A383 PolarHBondContact O-N 3Å; A380-K384 WeakPolarHBondContact O-CG 3.21Å; A380-K384 PolarHBondContact O-N 3.19Å
381	H	58	Low	61.9	Low	50 Å²	50	77 Å²	77	23%	0.231	46%	0.457	C	S	.	.	H	α-helix	trans	-60.2	-47.9	173	172.4	-124.1	0	0	0	111.3	K377 K378 A379 A383 K384 T385 T396	K377-H381 WeakPolarHBondContact O-CB 3.25Å; K377-H381 PolarHBondContact O-N 2.97Å; K378-H381 PolarHBondContact O-N 3.17Å; A379-H381 PolarHBondContact O-N 3.21Å; H381-A383 VanDerWaalsContact C-N 3.33Å; H381-A383 PolarHBondContact O-N 3.35Å; H381-K384 PolarHBondContact O-N 3.28Å; H381-T385 PolarHBondContact CD2-OG1 3.47Å; H381-T385 PolarHBondContact NE2-OG1 2.92Å; H381-T385 WeakPolarHBondContact O-CB 3.46Å; H381-T385 PolarHBondContact O-N 3.45Å; H381-T385 PolarHBondContact O-OG1 3.33Å; H381-T396 PolarHBondContact CD2-O 3.02Å
382	A	58.6	Low	60.9	Low	52 Å²	52	76.5 Å²	76.5	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-58	-46.4	176.9	0	0	0	0	0	111.4	K378 A379 T385 V386	K378-A382 PolarHBondContact O-N 3.04Å; K378-A382 VanDerWaalsContact O-N 3.09Å; A379-A382 PolarHBondContact O-N 2.91Å; A382-T385 PolarHBondContact O-N 2.89Å; A382-V386 VanDerWaalsContact O-CG2 3.29Å; A382-V386 WeakPolarHBondContact O-CG2 3.46Å; A382-V386 PolarHBondContact O-N 2.85Å
383	A	61.5	Low	60	Low	62 Å²	62	77.8 Å²	77.8	51%	0.512	46%	0.463	S	S	.	.	H	α-helix	trans	-62.8	-45.1	179	0	0	0	0	0	113.1	A379 A380 H381 V386 K387	A379-A383 PolarHBondContact O-N 3.2Å; A380-A383 PolarHBondContact O-N 3Å; H381-A383 VanDerWaalsContact C-N 3.33Å; H381-A383 PolarHBondContact O-N 3.35Å; A383-V386 PolarHBondContact O-N 3.08Å; A383-K387 PolarHBondContact O-N 3.48Å; A383-K387 VanDerWaalsContact O-N 3.11Å
384	K	64.4	Low	59.5	Low	70 Å²	70	76.6 Å²	76.6	30%	0.304	46%	0.459	S	S	.	.	H	α-helix	trans	-68.5	-36.3	178.4	-68.8	-174.2	-168.4	166.8	0	112	A380 H381 V386 K387 H388 I394 S395 T396	A380-K384 WeakPolarHBondContact O-CG 3.21Å; A380-K384 PolarHBondContact O-N 3.19Å; H381-K384 PolarHBondContact O-N 3.28Å; K384-V386 VanDerWaalsContact C-N 3.33Å; K384-V386 PolarHBondContact O-N 2.71Å; K384-K387 PolarHBondContact O-N 3.37Å; K384-K387 VanDerWaalsContact O-N 3.16Å; K384-H388 PolarHBondContact O-CD2 3.09Å; K384-H388 PolarHBondContact O-N 3.46Å; K384-I394 HydrophobicContact CB-CD1 4.03Å; K384-I394 HydrophobicContact CB-CG2 3.68Å; K384-I394 HydrophobicContact CD-CG2 3.43Å; K384-I394 VanDerWaalsContact CD-CG2 3.43Å; K384-I394 HydrophobicContact CG-CG2 4.22Å; K384-I394 WeakPolarHBondContact O-CD1 3.32Å; K384-S395 PolarHBondContact NZ-OG 2.91Å; K384-T396 WeakPolarHBondContact CD-OG1 3.35Å; K384-T396 PolarHBondContact NZ-OG1 3.37Å
385	T	59.4	Low	59	Low	37 Å²	37	74.8 Å²	74.8	23%	0.227	45%	0.451	C	S	.	.	H	α-helix	trans	-62.7	-41.1	176.2	-56	0	0	0	0	111.1	H381 A382 K387 G389 A390	H381-T385 PolarHBondContact CD2-OG1 3.47Å; H381-T385 PolarHBondContact NE2-OG1 2.92Å; H381-T385 WeakPolarHBondContact O-CB 3.46Å; H381-T385 PolarHBondContact O-N 3.45Å; H381-T385 PolarHBondContact O-OG1 3.33Å; A382-T385 PolarHBondContact O-N 2.89Å; T385-K387 VanDerWaalsContact C-N 3.32Å; T385-K387 PolarHBondContact O-N 3.04Å; T385-G389 CarbonylContact O-C 3.58Å; T385-G389 WeakPolarHBondContact O-CA 3.4Å; T385-G389 PolarHBondContact O-N 2.87Å; T385-A390 HydrophobicContact CG2-CB 4.46Å
386	V	62.8	Low	59.3	Low	129 Å²	129	69.7 Å²	69.7	78%	0.782	42%	0.42	S	S	*	.	H	α-helix	trans	-63.8	-37.4	174	171.9	0	0	0	0	111.6	A382 A383 K384	A382-V386 VanDerWaalsContact O-CG2 3.29Å; A382-V386 WeakPolarHBondContact O-CG2 3.46Å; A382-V386 PolarHBondContact O-N 2.85Å; A383-V386 PolarHBondContact O-N 3.08Å; K384-V386 VanDerWaalsContact C-N 3.33Å; K384-V386 PolarHBondContact O-N 2.71Å
387	K	66	Low	59.7	Low	165 Å²	165	62.7 Å²	62.7	72%	0.717	39%	0.391	S	S	*	.	H	α-helix	trans	-76.1	-39.3	-178.4	-173.3	178.3	177.6	-175.9	0	114.1	A383 K384 T385	A383-K387 PolarHBondContact O-N 3.48Å; A383-K387 VanDerWaalsContact O-N 3.11Å; K384-K387 PolarHBondContact O-N 3.37Å; K384-K387 VanDerWaalsContact O-N 3.16Å; T385-K387 VanDerWaalsContact C-N 3.32Å; T385-K387 PolarHBondContact O-N 3.04Å
388	H	59.1	Low	60.6	Low	85 Å²	85	63.6 Å²	63.6	39%	0.394	40%	0.396	S	S	.	.	H	α-helix	trans	-109.3	-5	-170.7	-63.5	-72.7	0	0	0	114	K384 A392 I394	K384-H388 PolarHBondContact O-CD2 3.09Å; K384-H388 PolarHBondContact O-N 3.46Å; H388-A392 HydrophobicContact CB-CB 3.83Å; H388-A392 WeakPolarHBondContact O-CB 3.4Å; H388-I394 HydrophobicContact CB-CD1 4.01Å; H388-I394 HydrophobicContact CB-CG1 4.28Å
389	G	52.1	Low	61.8	Low	34 Å²	34	58.4 Å²	58.4	35%	0.351	37%	0.374	S	S	.	.			trans	88.9	154	-178.7	0	0	0	0	0	113.2	T385 G391 A392	T385-G389 CarbonylContact O-C 3.58Å; T385-G389 WeakPolarHBondContact O-CA 3.4Å; T385-G389 PolarHBondContact O-N 2.87Å; G389-G391 PolarHBondContact O-N 3.27Å; G389-G391 VanDerWaalsContact O-N 3.16Å; G389-A392 PolarHBondContact O-N 3.42Å
390	A	52.8	Low	63.2	Low	101 Å²	101	61.4 Å²	61.4	84%	0.835	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.9	-174.4	0	0	0	0	0	114.9	T385	T385-A390 HydrophobicContact CG2-CB 4.46Å
391	G	53.1	Low	64.5	Low	80 Å²	80	65.5 Å²	65.5	83%	0.825	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	1.4	178	0	0	0	0	0	115	G389	G389-G391 PolarHBondContact O-N 3.27Å; G389-G391 VanDerWaalsContact O-N 3.16Å
392	A	57.6	Low	66.1	Low	31 Å²	31	63.1 Å²	63.1	26%	0.256	38%	0.379	S	S	.	.	S	Bend	trans	-79.3	135.3	179.8	0	0	0	0	0	111.5	H388 G389 I394	H388-A392 HydrophobicContact CB-CB 3.83Å; H388-A392 WeakPolarHBondContact O-CB 3.4Å; G389-A392 PolarHBondContact O-N 3.42Å; A392-I394 HydrophobicContact CB-CD1 4.24Å; A392-I394 HydrophobicContact CB-CG1 3.89Å; A392-I394 PolarHBondContact O-N 2.95Å
393	E	57.3	Low	67.8	Low	95 Å²	95	60.6 Å²	60.6	44%	0.444	36%	0.359	S	S	.	.			trans	-75.7	74.2	174.4	-67.2	-174.7	164.1	0	0	111.4
394	I	59.5	Low	69.3	Low	7 Å²	7	63.9 Å²	63.9	4%	0.036	36%	0.361	C	S	.	.			trans	-80.2	144.6	-177.8	-56.6	165.9	0	0	0	109.9	K384 H388 A392 T396 V397 R405	K384-I394 HydrophobicContact CB-CD1 4.03Å; K384-I394 HydrophobicContact CB-CG2 3.68Å; K384-I394 HydrophobicContact CD-CG2 3.43Å; K384-I394 VanDerWaalsContact CD-CG2 3.43Å; K384-I394 HydrophobicContact CG-CG2 4.22Å; K384-I394 WeakPolarHBondContact O-CD1 3.32Å; H388-I394 HydrophobicContact CB-CD1 4.01Å; H388-I394 HydrophobicContact CB-CG1 4.28Å; A392-I394 HydrophobicContact CB-CD1 4.24Å; A392-I394 HydrophobicContact CB-CG1 3.89Å; A392-I394 PolarHBondContact O-N 2.95Å; I394-T396 VanDerWaalsContact C-N 3.33Å; I394-T396 PolarHBondContact O-N 3.49Å; I394-V397 WeakPolarHBondContact O-CG1 3.49Å; I394-R405 PolarHBondContact O-NH1 2.82Å
395	S	56	Low	70.7	Confident	29 Å²	29	62 Å²	62	20%	0.203	35%	0.353	C	S	.	.	S	Bend	trans	-58.3	-41.9	-179.1	57.6	0	0	0	0	113.5	K384 V397 Y402	K384-S395 PolarHBondContact NZ-OG 2.91Å; S395-V397 PolarHBondContact O-N 2.93Å; S395-Y402 VanDerWaalsContact O-CD2 3.24Å; S395-Y402 WeakPolarHBondContact O-CD2 3.45Å; S395-Y402 WeakPolarHBondContact O-CE2 3.4Å
396	T	61.4	Low	72.5	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.012	34%	0.342	C	S	.	.	S	Bend	trans	-87.4	94.8	-177.7	49.7	0	0	0	0	111	M274 H381 K384 I394	M274-T396 HydrophobicContact CE-CG2 4.23Å; H381-T396 PolarHBondContact CD2-O 3.02Å; K384-T396 WeakPolarHBondContact CD-OG1 3.35Å; K384-T396 PolarHBondContact NZ-OG1 3.37Å; I394-T396 VanDerWaalsContact C-N 3.33Å; I394-T396 PolarHBondContact O-N 3.49Å
397	V	70.3	Confident	74.1	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.085	32%	0.317	C	S	.	.			trans	-130.9	174.6	174.6	-68.6	0	0	0	0	110.2	M274 I394 S395 Q401 Y402	M274-V397 WeakPolarHBondContact CE-O 3.41Å; I394-V397 WeakPolarHBondContact O-CG1 3.49Å; S395-V397 PolarHBondContact O-N 2.93Å; V397-Q401 HydrophobicContact CB-CB 4.38Å; V397-Q401 HydrophobicContact CG2-CB 4.11Å; V397-Y402 HydrophobicContact CG2-CD2 4.24Å
398	H	81.2	Confident	75.5	Confident	84 Å²	84	53.4 Å²	53.4	39%	0.389	30%	0.304	S	S	.	.			trans	-54.1	138.4	175.6	-169.6	-98.3	0	0	0	110.4	E400 Q401 Y402	H398-E400 IonicContact CE1-OE2 3.7Å; H398-E400 IonicContact ND1-OE2 2.76Å; H398-E400 PolarHBondContact O-N 3.11Å; H398-E400 VanDerWaalsContact O-N 3.07Å; H398-Q401 HydrophobicContact CB-CG 4.36Å; H398-Q401 WeakPolarHBondContact O-CB 3.43Å; H398-Q401 PolarHBondContact O-N 3.42Å; H398-Y402 PolarHBondContact O-N 3.38Å
399	P	85.7	Confident	77.3	Confident	4 Å²	4	51 Å²	51	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-50.7	-38.5	-173.7	-31.7	36.1	0	0	0	114.8	K272 Y373 Y402 A403	K272-P399 HydrophobicContact CB-CG 4.36Å; Y373-P399 HydrophobicContact CD1-CG 4.23Å; Y373-P399 HydrophobicContact CG-CG 4.33Å; P399-Y402 WeakPolarHBondContact O-CB 3.31Å; P399-Y402 PolarHBondContact O-N 2.93Å; P399-A403 WeakPolarHBondContact O-CB 3.45Å; P399-A403 PolarHBondContact O-N 2.93Å
400	E	89.2	Confident	79.4	Confident	125 Å²	125	49.4 Å²	49.4	58%	0.584	28%	0.276	S	S	*	.	H	α-helix	trans	-65.2	-41.1	176.5	-68.7	172.1	-176.4	0	0	113.4	V269 H398 K404	V269-E400 HydrophobicContact CG1-CG 3.76Å; H398-E400 IonicContact CE1-OE2 3.7Å; H398-E400 IonicContact ND1-OE2 2.76Å; H398-E400 PolarHBondContact O-N 3.11Å; H398-E400 VanDerWaalsContact O-N 3.07Å; E400-K404 WeakPolarHBondContact O-CB 3.34Å; E400-K404 PolarHBondContact O-N 3.41Å
401	Q	89.2	Confident	81.5	Confident	119 Å²	119	46.4 Å²	46.4	56%	0.556	25%	0.25	S	S	*	.	H	α-helix	trans	-69	-40.7	176.9	-66.4	176.6	-2.8	0	0	110.5	V397 H398 K404 R405	V397-Q401 HydrophobicContact CB-CB 4.38Å; V397-Q401 HydrophobicContact CG2-CB 4.11Å; H398-Q401 HydrophobicContact CB-CG 4.36Å; H398-Q401 WeakPolarHBondContact O-CB 3.43Å; H398-Q401 PolarHBondContact O-N 3.42Å; Q401-K404 PolarHBondContact O-N 2.89Å; Q401-R405 WeakPolarHBondContact O-CB 3.44Å; Q401-R405 PolarHBondContact O-N 3.11Å; Q401-R405 VanDerWaalsContact O-N 3.1Å
402	Y	90.7	Very high	83.5	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-53.1	174	-174.5	-90.2	0	0	0	110.6	Y276 S395 V397 H398 P399 K404 R405 F406	Y276-Y402 HydrophobicContact CD1-CD1 4.4Å; Y276-Y402 AromaticContact CD1-CE1 3.93Å; Y276-Y402 HydrophobicContact CD1-CE1 3.93Å; Y276-Y402 AromaticContact CD2-CE1 3.95Å; Y276-Y402 HydrophobicContact CD2-CE1 3.95Å; Y276-Y402 AromaticContact CE1-CD1 3.73Å; Y276-Y402 HydrophobicContact CE1-CD1 3.73Å; Y276-Y402 AromaticContact CE1-CE1 3.66Å; Y276-Y402 HydrophobicContact CE1-CE1 3.66Å; Y276-Y402 HydrophobicContact CE2-CD1 4.19Å; Y276-Y402 AromaticContact CE2-CE1 3.67Å; Y276-Y402 HydrophobicContact CE2-CE1 3.67Å; Y276-Y402 HydrophobicContact CG-CE1 4.08Å; Y276-Y402 AromaticContact CZ-CD1 3.6Å; Y276-Y402 AromaticContact CZ-CE1 3.52Å; Y276-Y402 PolarHBondContact N-OH 3.5Å; Y276-Y402 PolarHBondContact O-OH 3.25Å; S395-Y402 VanDerWaalsContact O-CD2 3.24Å; S395-Y402 WeakPolarHBondContact O-CD2 3.45Å; S395-Y402 WeakPolarHBondContact O-CE2 3.4Å; V397-Y402 HydrophobicContact CG2-CD2 4.24Å; H398-Y402 PolarHBondContact O-N 3.38Å; P399-Y402 WeakPolarHBondContact O-CB 3.31Å; P399-Y402 PolarHBondContact O-N 2.93Å; Y402-K404 PolarHBondContact O-N 2.88Å; Y402-R405 PolarHBondContact O-N 3.47Å; Y402-F406 HydrophobicContact CE1-CB 4.37Å; Y402-F406 VanDerWaalsContact O-CB 3.23Å; Y402-F406 WeakPolarHBondContact O-CB 3.32Å; Y402-F406 PolarHBondContact O-N 3.16Å
403	A	93.9	Very high	85.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-41	-178.9	0	0	0	0	0	113.2	V265 V269 P399 R407	V265-A403 HydrophobicContact CG1-CB 3.4Å; V265-A403 VanDerWaalsContact CG1-CB 3.4Å; V269-A403 HydrophobicContact CG2-CB 3.31Å; P399-A403 WeakPolarHBondContact O-CB 3.45Å; P399-A403 PolarHBondContact O-N 2.93Å; A403-R407 WeakPolarHBondContact O-CB 3.29Å; A403-R407 VanDerWaalsContact O-CG 3.28Å; A403-R407 WeakPolarHBondContact O-CG 3.42Å; A403-R407 PolarHBondContact O-N 3.43Å; A403-R407 PolarHBondContact O-NE 3.36Å
404	K	94.4	Very high	87.2	Confident	130 Å²	130	42.8 Å²	42.8	57%	0.565	21%	0.21	S	C	*	.	H	α-helix	trans	-61.7	-55.1	175.9	-175.5	-179.4	177.6	-174.3	0	110.8	E400 Q401 Y402 F406 R407 D408	E400-K404 WeakPolarHBondContact O-CB 3.34Å; E400-K404 PolarHBondContact O-N 3.41Å; Q401-K404 PolarHBondContact O-N 2.89Å; Y402-K404 PolarHBondContact O-N 2.88Å; K404-F406 VanDerWaalsContact C-N 3.3Å; K404-F406 PolarHBondContact O-N 2.82Å; K404-R407 PolarHBondContact O-N 3.19Å; K404-D408 WeakPolarHBondContact O-CB 3.34Å; K404-D408 VanDerWaalsContact O-CG 3.23Å; K404-D408 PolarHBondContact O-N 3.35Å
405	R	93.6	Very high	88.7	Confident	31 Å²	31	46.9 Å²	46.9	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-57.2	-44.3	179.2	-177	-170	66.8	-151.9	-4.8	112	G216 I394 Q401 Y402 D408 F409	G216-R405 WeakPolarHBondContact O-CD 3.5Å; G216-R405 WeakPolarHBondContact O-CG 3.39Å; G216-R405 PolarHBondContact O-NE 2.92Å; I394-R405 PolarHBondContact O-NH1 2.82Å; Q401-R405 WeakPolarHBondContact O-CB 3.44Å; Q401-R405 PolarHBondContact O-N 3.11Å; Q401-R405 VanDerWaalsContact O-N 3.1Å; Y402-R405 PolarHBondContact O-N 3.47Å; R405-D408 PolarHBondContact O-N 3.24Å; R405-F409 WeakPolarHBondContact O-CB 3.31Å; R405-F409 PolarHBondContact O-N 2.88Å
406	F	95.9	Very high	90.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-50.6	178.1	176.5	-101.6	0	0	0	111.6	L261 V265 Y276 L278 L366 Y402 K404 D408 F409 I410	L261-F406 HydrophobicContact CD1-CE1 3.79Å; L261-F406 HydrophobicContact CD1-CZ 4.32Å; L261-F406 HydrophobicContact CG-CE1 4.36Å; V265-F406 HydrophobicContact CG2-CD1 3.83Å; V265-F406 HydrophobicContact CG2-CE1 3.78Å; Y276-F406 HydrophobicContact CD2-CE1 4.24Å; Y276-F406 HydrophobicContact CD2-CE2 4.45Å; Y276-F406 HydrophobicContact CD2-CZ 4.21Å; Y276-F406 AromaticContact CE2-CD1 3.7Å; Y276-F406 HydrophobicContact CE2-CD1 3.7Å; Y276-F406 HydrophobicContact CE2-CD2 4.41Å; Y276-F406 AromaticContact CE2-CE1 3.75Å; Y276-F406 HydrophobicContact CE2-CE1 3.75Å; Y276-F406 HydrophobicContact CE2-CE2 4.49Å; Y276-F406 HydrophobicContact CE2-CG 4.02Å; Y276-F406 HydrophobicContact CE2-CZ 4.16Å; L278-F406 HydrophobicContact CB-CE2 4.13Å; L278-F406 HydrophobicContact CB-CZ 3.89Å; L366-F406 HydrophobicContact CD2-CE1 3.75Å; L366-F406 HydrophobicContact CD2-CZ 3.47Å; L366-F406 VanDerWaalsContact CD2-CZ 3.47Å; Y402-F406 HydrophobicContact CE1-CB 4.37Å; Y402-F406 VanDerWaalsContact O-CB 3.23Å; Y402-F406 WeakPolarHBondContact O-CB 3.32Å; Y402-F406 PolarHBondContact O-N 3.16Å; K404-F406 VanDerWaalsContact C-N 3.3Å; K404-F406 PolarHBondContact O-N 2.82Å; F406-D408 PolarHBondContact O-N 3.01Å; F406-F409 PolarHBondContact O-N 2.82Å; F406-I410 HydrophobicContact CD2-CG1 4.36Å; F406-I410 HydrophobicContact CE1-CG1 4.26Å; F406-I410 HydrophobicContact CE2-CD1 4.31Å; F406-I410 HydrophobicContact CE2-CG1 4.04Å; F406-I410 HydrophobicContact CZ-CG1 4Å; F406-I410 WeakPolarHBondContact O-CG1 3.35Å; F406-I410 PolarHBondContact O-N 3.07Å
407	R	96.8	Very high	91.9	Very high	68 Å²	68	50.2 Å²	50.2	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-45.4	177.6	-74.6	-176.8	-71.7	178.4	1.1	112.4	N262 V265 E266 A403 K404 F409 I410 A411	N262-R407 WeakPolarHBondContact OD1-CD 3.47Å; V265-R407 HydrophobicContact CB-CG 4.49Å; V265-R407 HydrophobicContact CG1-CG 4.17Å; V265-R407 HydrophobicContact CG2-CG 4.45Å; E266-R407 IonicContact OE1-NH1 3.15Å; A403-R407 WeakPolarHBondContact O-CB 3.29Å; A403-R407 VanDerWaalsContact O-CG 3.28Å; A403-R407 WeakPolarHBondContact O-CG 3.42Å; A403-R407 PolarHBondContact O-N 3.43Å; A403-R407 PolarHBondContact O-NE 3.36Å; K404-R407 PolarHBondContact O-N 3.19Å; R407-F409 VanDerWaalsContact C-N 3.31Å; R407-F409 PolarHBondContact O-N 3.45Å; R407-I410 PolarHBondContact O-N 2.75Å; R407-A411 WeakPolarHBondContact O-CB 3.33Å; R407-A411 PolarHBondContact O-N 3.46Å
408	D	96.1	Very high	93.1	Very high	83 Å²	83	52.2 Å²	52.2	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-41.5	179.5	-66.9	-15.7	0	0	0	110.8	K404 R405 F406 N412	K404-D408 WeakPolarHBondContact O-CB 3.34Å; K404-D408 VanDerWaalsContact O-CG 3.23Å; K404-D408 PolarHBondContact O-N 3.35Å; R405-D408 PolarHBondContact O-N 3.24Å; F406-D408 PolarHBondContact O-N 3.01Å; D408-N412 PolarHBondContact O-N 2.98Å; D408-N412 PolarHBondContact O-ND2 3.06Å
409	F	95.9	Very high	93.8	Very high	34 Å²	34	50.4 Å²	50.4	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-48.9	176.1	-179.4	-95.2	0	0	0	112.1	L214 D237 R405 F406 R407 A411 N412 I413	L214-F409 HydrophobicContact CB-CE1 4.04Å; L214-F409 HydrophobicContact CD1-CE1 4.25Å; L214-F409 HydrophobicContact CD2-CE1 4.09Å; L214-F409 HydrophobicContact CD2-CZ 4.42Å; L214-F409 HydrophobicContact CG-CE1 4.35Å; D237-F409 HydrophobicContact CB-CE2 4.33Å; D237-F409 HydrophobicContact CB-CZ 3.9Å; R405-F409 WeakPolarHBondContact O-CB 3.31Å; R405-F409 PolarHBondContact O-N 2.88Å; F406-F409 PolarHBondContact O-N 2.82Å; R407-F409 VanDerWaalsContact C-N 3.31Å; R407-F409 PolarHBondContact O-N 3.45Å; F409-A411 VanDerWaalsContact C-N 3.33Å; F409-A411 PolarHBondContact O-N 2.85Å; F409-N412 WeakPolarHBondContact O-CB 3.49Å; F409-N412 PolarHBondContact O-N 3.03Å; F409-I413 HydrophobicContact CD1-CG2 4.22Å; F409-I413 HydrophobicContact CE1-CG2 3.93Å; F409-I413 HydrophobicContact CZ-CG2 4.48Å; F409-I413 WeakPolarHBondContact O-CG2 3.25Å; F409-I413 PolarHBondContact O-N 3.14Å
410	I	97.2	Very high	94.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-39	-179.4	-62.2	-55.5	0	0	0	111.4	L214 M258 L261 L278 F406 R407 N412 I413 F414	L214-I410 HydrophobicContact CB-CD1 4.06Å; L214-I410 HydrophobicContact CD1-CD1 4.26Å; M258-I410 HydrophobicContact SD-CG2 4.25Å; L261-I410 HydrophobicContact CD2-CB 3.84Å; L261-I410 HydrophobicContact CD2-CG1 4.35Å; L261-I410 HydrophobicContact CD2-CG2 3.57Å; L278-I410 HydrophobicContact CB-CD1 3.85Å; L278-I410 HydrophobicContact CD2-CD1 3.64Å; L278-I410 HydrophobicContact CD2-CG1 4.3Å; L278-I410 HydrophobicContact CD2-CG2 4.04Å; L278-I410 HydrophobicContact CG-CD1 4.38Å; F406-I410 HydrophobicContact CD2-CG1 4.36Å; F406-I410 HydrophobicContact CE1-CG1 4.26Å; F406-I410 HydrophobicContact CE2-CD1 4.31Å; F406-I410 HydrophobicContact CE2-CG1 4.04Å; F406-I410 HydrophobicContact CZ-CG1 4Å; F406-I410 WeakPolarHBondContact O-CG1 3.35Å; F406-I410 PolarHBondContact O-N 3.07Å; R407-I410 PolarHBondContact O-N 2.75Å; I410-N412 PolarHBondContact O-N 3.01Å; I410-N412 VanDerWaalsContact O-N 3.12Å; I410-I413 HydrophobicContact CD1-CD1 4.33Å; I410-I413 HydrophobicContact CG2-CD1 4.18Å; I410-I413 VanDerWaalsContact O-CG1 3.29Å; I410-I413 WeakPolarHBondContact O-CG1 3.32Å; I410-I413 PolarHBondContact O-N 2.93Å; I410-I413 VanDerWaalsContact O-N 3.13Å; I410-F414 HydrophobicContact CG2-CE2 4.13Å; I410-F414 WeakPolarHBondContact O-CD2 3.46Å; I410-F414 WeakPolarHBondContact O-CE2 3.5Å
411	A	96.8	Very high	94.7	Very high	37 Å²	37	48.5 Å²	48.5	31%	0.306	26%	0.257	S	S	.	.	H	α-helix	trans	-57.2	-29.8	174.6	0	0	0	0	0	112.8	M258 R407 F409	M258-A411 HydrophobicContact CE-CB 3.84Å; M258-A411 HydrophobicContact SD-CB 4.43Å; R407-A411 WeakPolarHBondContact O-CB 3.33Å; R407-A411 PolarHBondContact O-N 3.46Å; F409-A411 VanDerWaalsContact C-N 3.33Å; F409-A411 PolarHBondContact O-N 2.85Å
412	N	95.6	Very high	95	Very high	114 Å²	114	43.4 Å²	43.4	61%	0.61	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4	-177.7	-72.8	-48.5	0	0	0	114.6	K246 D408 F409 I410	K246-N412 PolarHBondContact NZ-O 3.46Å; D408-N412 PolarHBondContact O-N 2.98Å; D408-N412 PolarHBondContact O-ND2 3.06Å; F409-N412 WeakPolarHBondContact O-CB 3.49Å; F409-N412 PolarHBondContact O-N 3.03Å; I410-N412 PolarHBondContact O-N 3.01Å; I410-N412 VanDerWaalsContact O-N 3.12Å
413	I	96.3	Very high	95.4	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-22.4	176.8	81.4	-173.6	0	0	0	112.5	L214 F240 K246 V247 L278 F409 I410	L214-I413 HydrophobicContact CD1-CD1 4.19Å; L214-I413 HydrophobicContact CD1-CG2 4.41Å; F240-I413 HydrophobicContact CE1-CB 3.82Å; F240-I413 HydrophobicContact CE1-CG2 3.89Å; F240-I413 HydrophobicContact CZ-CB 3.7Å; F240-I413 HydrophobicContact CZ-CG2 4.12Å; K246-I413 WeakPolarHBondContact CA-O 3.42Å; K246-I413 WeakPolarHBondContact CD-O 3.17Å; V247-I413 HydrophobicContact CB-CG1 4.45Å; V247-I413 HydrophobicContact CG2-CD1 4.16Å; V247-I413 HydrophobicContact CG2-CG1 4.08Å; V247-I413 PolarHBondContact N-O 2.86Å; L278-I413 HydrophobicContact CD2-CD1 4.31Å; F409-I413 HydrophobicContact CD1-CG2 4.22Å; F409-I413 HydrophobicContact CE1-CG2 3.93Å; F409-I413 HydrophobicContact CZ-CG2 4.48Å; F409-I413 WeakPolarHBondContact O-CG2 3.25Å; F409-I413 PolarHBondContact O-N 3.14Å; I410-I413 HydrophobicContact CD1-CD1 4.33Å; I410-I413 HydrophobicContact CG2-CD1 4.18Å; I410-I413 VanDerWaalsContact O-CG1 3.29Å; I410-I413 WeakPolarHBondContact O-CG1 3.32Å; I410-I413 PolarHBondContact O-N 2.93Å; I410-I413 VanDerWaalsContact O-N 3.13Å
414	F	96.4	Very high	95.5	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.061	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-74	154.1	178.5	-58.4	-76.2	0	0	0	111.1	K246 V247 V249 K254 V257 M258 M364 I410	K246-F414 PolarHBondContact NZ-O 3.03Å; V247-F414 HydrophobicContact CB-CD1 3.8Å; V247-F414 HydrophobicContact CB-CE1 4.12Å; V247-F414 HydrophobicContact CG1-CD1 3.67Å; V247-F414 HydrophobicContact CG1-CE1 3.68Å; V247-F414 VanDerWaalsContact O-CA 3.32Å; V247-F414 WeakPolarHBondContact O-CA 3.45Å; V249-F414 HydrophobicContact CG2-CD1 3.56Å; V249-F414 HydrophobicContact CG2-CE1 3.99Å; V249-F414 HydrophobicContact CG2-CG 4.5Å; K254-F414 HydrophobicContact CD-CB 3.91Å; K254-F414 HydrophobicContact CD-CD2 4.42Å; K254-F414 HydrophobicContact CD-CG 4.18Å; K254-F414 HydrophobicContact CG-CB 4.33Å; K254-F414 HydrophobicContact CG-CD2 4.07Å; K254-F414 HydrophobicContact CG-CG 4.04Å; V257-F414 HydrophobicContact CG1-CZ 4.01Å; M258-F414 HydrophobicContact SD-CE2 3.96Å; M364-F414 HydrophobicContact CE-CE1 4.17Å; M364-F414 HydrophobicContact CE-CZ 4.45Å; M364-F414 HydrophobicContact SD-CE1 4.23Å; M364-F414 HydrophobicContact SD-CZ 4.25Å; I410-F414 HydrophobicContact CG2-CE2 4.13Å; I410-F414 WeakPolarHBondContact O-CD2 3.46Å; I410-F414 WeakPolarHBondContact O-CE2 3.5Å
415	A	91.1	Very high	95.6	Very high	93 Å²	93	43.5 Å²	43.5	77%	0.769	25%	0.248	S	C	*	.			trans	-124.9	0	176.6	0	0	0	0	0	111.2	K246 V247 Y248	K246-A415 HydrophobicContact CB-CB 3.8Å; K246-A415 HydrophobicContact CD-CB 4.19Å; K246-A415 HydrophobicContact CG-CB 4.03Å; V247-A415 PolarHBondContact O-N 3.36Å; Y248-A415 HydrophobicContact CD1-CB 3.6Å; Y248-A415 HydrophobicContact CE1-CB 3.53Å; Y248-A415 HydrophobicContact CG-CB 4.32Å

Retrieved 415 of 415 residues in 990.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).