A0A087XL14_POEFO Loading...

RING-type E3 ubiquitin-protein ligase PPIL2

Has a ubiquitin-protein ligase activity acting as an E3 ubiquitin protein ligase or as an ubiquitin-ubiquitin ligase promoting elongation of ubiquitin chains on substrates. By mediating 'Lys-48'-linked polyubiquitination of proteins could target them for proteasomal degradation. May also function as a chaperone, playing a role in transport to the cell membrane of BSG/Basigin for instance. Probable inactive PPIase with no peptidyl-prolyl cis-trans isomerase activity. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A087XL14, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	53.1	Low	229 Å²	229	172.5 Å²	172.5	100%	1.128	83%	0.827	S	S	*	*				0	125.7	0	-79.8	-164.9	-106.9	0	0	109.5
2	G	42.5	Very low	54.6	Low	69 Å²	69	170.6 Å²	170.6	71%	0.711	81%	0.807	S	S	*	*			trans	-136.4	82.6	177	0	0	0	0	0	111.8	R4	G2-R4 VanDerWaalsContact C-N 3.27Å; G2-R4 PolarHBondContact O-N 3.39Å
3	K	50.2	Low	55.9	Low	198 Å²	198	164.8 Å²	164.8	86%	0.861	78%	0.783	S	S	*	*			trans	-75.9	50.8	-170.7	-65.3	-175.4	174.7	-178.3	0	114.6
4	R	46.6	Very low	57.5	Low	244 Å²	244	156 Å²	156	92%	0.921	75%	0.745	S	S	*	*			trans	-145.6	31.1	179.1	-73	-161.8	175.6	-179.7	-0.2	116.6	G2	G2-R4 VanDerWaalsContact C-N 3.27Å; G2-R4 PolarHBondContact O-N 3.39Å
5	Q	50.1	Low	58.2	Low	175 Å²	175	152.9 Å²	152.9	82%	0.818	75%	0.745	S	S	*	*	S	Bend	trans	-99.8	-18.3	-178.6	-155.9	157.2	-5.2	0	0	115.4
6	H	47.5	Very low	59.2	Low	194 Å²	194	149.1 Å²	149.1	90%	0.898	73%	0.733	S	S	*	*	S	Bend	trans	-105.5	64.1	179.9	-72.6	-77.7	0	0	0	113.2
7	Q	51.4	Low	60.2	Low	138 Å²	138	144.4 Å²	144.4	65%	0.645	71%	0.709	S	S	*	*			trans	-149.1	33.2	170.5	-138.5	-165.8	57.7	0	0	114.6
8	K	54	Low	60.9	Low	201 Å²	201	143.3 Å²	143.3	87%	0.874	70%	0.697	S	S	*	*			trans	-102	-13.1	178.3	-72	-167.7	174.5	-172.7	0	115.2	K10	K8-K10 PolarHBondContact O-N 2.8Å
9	D	57.6	Low	61.4	Low	170 Å²	170	139.4 Å²	139.4	91%	0.909	68%	0.683	S	S	*	*			trans	-90.8	89.6	169.7	-67.4	-39.3	0	0	0	110
10	K	69.8	Low	61.6	Low	76 Å²	76	137.6 Å²	137.6	33%	0.33	68%	0.676	S	S	.	*			trans	-121.4	130.2	167.1	-64.3	176.2	-172.8	168.3	0	107.4	K8 Y12	K8-K10 PolarHBondContact O-N 2.8Å; K10-Y12 HydrophobicContact CB-CD1 4.39Å; K10-Y12 HydrophobicContact CB-CE1 4.26Å; K10-Y12 PolarHBondContact O-N 2.65Å
11	M	69.8	Low	62	Low	203 Å²	203	138.5 Å²	138.5	100%	1	68%	0.676	S	S	*	*	S	Bend	trans	-73.5	13.6	177.3	-65.1	-140.1	-64.7	0	0	113.9
12	Y	71	Confident	63	Low	150 Å²	150	135.2 Å²	135.2	59%	0.588	65%	0.653	S	S	*	*	S	Bend	trans	-141.1	141.9	175.6	62.6	-88.8	0	0	0	109.4	K10 T14	K10-Y12 HydrophobicContact CB-CD1 4.39Å; K10-Y12 HydrophobicContact CB-CE1 4.26Å; K10-Y12 PolarHBondContact O-N 2.65Å; Y12-T14 HydrophobicContact CE2-CG2 4.3Å
13	I	71.9	Confident	64	Low	96 Å²	96	134.6 Å²	134.6	49%	0.492	65%	0.646	S	S	.	*			trans	-92	128.6	175.9	-58.8	173	0	0	0	107.4	E17 Y22	I13-E17 HydrophobicContact CG2-CB 3.69Å; I13-Y22 HydrophobicContact CD1-CD2 4.27Å; I13-Y22 HydrophobicContact CD1-CG 4.32Å; I13-Y22 HydrophobicContact CG2-CD2 3.96Å
14	T	77.4	Confident	64.5	Low	41 Å²	41	125.6 Å²	125.6	25%	0.252	61%	0.609	S	S	.	*			trans	-71.3	153.3	174.5	63.6	0	0	0	0	111	Y12 T16 E17 Y18	Y12-T14 HydrophobicContact CE2-CG2 4.3Å; T14-T16 PolarHBondContact O-N 2.72Å; T14-T16 VanDerWaalsContact O-N 3.12Å; T14-T16 PolarHBondContact OG1-OG1 3.01Å; T14-E17 VanDerWaalsContact CB-OE2 3.3Å; T14-E17 WeakPolarHBondContact CB-OE2 3.33Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.29Å; T14-E17 PolarHBondContact N-OE2 3.28Å; T14-E17 PolarHBondContact O-N 2.73Å; T14-E17 VanDerWaalsContact OG1-CG 3.27Å; T14-E17 WeakPolarHBondContact OG1-CG 3.32Å; T14-E17 PolarHBondContact OG1-N 3.49Å; T14-E17 PolarHBondContact OG1-OE2 2.87Å; T14-Y18 PolarHBondContact O-N 3.38Å
15	C	69.1	Low	65.1	Low	110 Å²	110	122.4 Å²	122.4	74%	0.743	60%	0.602	S	S	*	*	H	α-helix	trans	-52.1	-39.8	178.9	-62	0	0	0	0	112.3	Y18 T19	C15-Y18 PolarHBondContact O-N 2.73Å; C15-T19 WeakPolarHBondContact O-CG2 3.32Å; C15-T19 PolarHBondContact O-N 3.4Å; C15-T19 PolarHBondContact O-OG1 2.96Å
16	T	73.1	Confident	65.6	Low	91 Å²	91	123.4 Å²	123.4	56%	0.558	60%	0.598	S	S	*	*	H	α-helix	trans	-64.5	-33.4	174.9	37.4	0	0	0	0	114.7	T14 T19 N20	T14-T16 PolarHBondContact O-N 2.72Å; T14-T16 VanDerWaalsContact O-N 3.12Å; T14-T16 PolarHBondContact OG1-OG1 3.01Å; T16-T19 PolarHBondContact O-OG1 3.17Å; T16-T19 VanDerWaalsContact O-OG1 3.13Å; T16-N20 WeakPolarHBondContact O-CB 3.44Å; T16-N20 VanDerWaalsContact O-CG 3.27Å; T16-N20 PolarHBondContact O-N 3.41Å; T16-N20 PolarHBondContact O-ND2 3.44Å
17	E	76.4	Confident	66	Low	69 Å²	69	118.6 Å²	118.6	32%	0.322	59%	0.593	S	S	.	*	H	α-helix	trans	-78.2	-36.6	175.6	-72.3	158.6	150.2	0	0	110.8	I13 T14 F21 Y22	I13-E17 HydrophobicContact CG2-CB 3.69Å; T14-E17 VanDerWaalsContact CB-OE2 3.3Å; T14-E17 WeakPolarHBondContact CB-OE2 3.33Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.29Å; T14-E17 PolarHBondContact N-OE2 3.28Å; T14-E17 PolarHBondContact O-N 2.73Å; T14-E17 VanDerWaalsContact OG1-CG 3.27Å; T14-E17 WeakPolarHBondContact OG1-CG 3.32Å; T14-E17 PolarHBondContact OG1-N 3.49Å; T14-E17 PolarHBondContact OG1-OE2 2.87Å; E17-F21 WeakPolarHBondContact O-CB 3.34Å; E17-F21 PolarHBondContact O-N 2.71Å; E17-Y22 HydrophobicContact CB-CD2 4.46Å; E17-Y22 PolarHBondContact O-N 3.49Å
18	Y	72.5	Confident	65.9	Low	125 Å²	125	119 Å²	119	49%	0.49	59%	0.594	S	S	.	*	I	π-helix	trans	-63.2	-47.1	174.1	-174.4	-106.6	0	0	0	111.8	T14 C15 N20 Y22 G23 G24	T14-Y18 PolarHBondContact O-N 3.38Å; C15-Y18 PolarHBondContact O-N 2.73Å; Y18-N20 VanDerWaalsContact C-N 3.35Å; Y18-N20 PolarHBondContact O-N 3.05Å; Y18-Y22 PolarHBondContact O-N 2.8Å; Y18-G23 PolarHBondContact O-N 3.06Å; Y18-G23 VanDerWaalsContact O-N 3.12Å; Y18-G24 PolarHBondContact O-N 3.42Å
19	T	70.3	Confident	66	Low	70 Å²	70	116.6 Å²	116.6	43%	0.429	59%	0.589	S	S	.	*	I	π-helix	trans	-63.3	-37.9	178.5	54.5	0	0	0	0	113.2	C15 T16	C15-T19 WeakPolarHBondContact O-CG2 3.32Å; C15-T19 PolarHBondContact O-N 3.4Å; C15-T19 PolarHBondContact O-OG1 2.96Å; T16-T19 PolarHBondContact O-OG1 3.17Å; T16-T19 VanDerWaalsContact O-OG1 3.13Å
20	N	66.8	Low	65.6	Low	102 Å²	102	114 Å²	114	55%	0.545	58%	0.582	S	S	.	*	I	π-helix	trans	-96.4	-36.4	-168.7	-64	-5.3	0	0	0	113.4	T16 Y18	T16-N20 WeakPolarHBondContact O-CB 3.44Å; T16-N20 VanDerWaalsContact O-CG 3.27Å; T16-N20 PolarHBondContact O-N 3.41Å; T16-N20 PolarHBondContact O-ND2 3.44Å; Y18-N20 VanDerWaalsContact C-N 3.35Å; Y18-N20 PolarHBondContact O-N 3.05Å
21	F	68.7	Low	64.7	Low	157 Å²	157	120.8 Å²	120.8	69%	0.689	61%	0.606	S	S	*	*	I	π-helix	trans	-115.7	-36.8	-170.3	-60.9	-76	0	0	0	114.3	E17	E17-F21 WeakPolarHBondContact O-CB 3.34Å; E17-F21 PolarHBondContact O-N 2.71Å
22	Y	66.6	Low	63.9	Low	161 Å²	161	116 Å²	116	63%	0.631	59%	0.592	S	S	*	*	I	π-helix	trans	-111.9	2.8	-165.4	-63.4	-72	0	0	0	117	I13 E17 Y18	I13-Y22 HydrophobicContact CD1-CD2 4.27Å; I13-Y22 HydrophobicContact CD1-CG 4.32Å; I13-Y22 HydrophobicContact CG2-CD2 3.96Å; E17-Y22 HydrophobicContact CB-CD2 4.46Å; E17-Y22 PolarHBondContact O-N 3.49Å; Y18-Y22 PolarHBondContact O-N 2.8Å
23	G	63.3	Low	63.2	Low	56 Å²	56	114.7 Å²	114.7	58%	0.577	60%	0.595	S	S	*	*			trans	123.7	18.2	164.2	0	0	0	0	0	117.4	Y18	Y18-G23 PolarHBondContact O-N 3.06Å; Y18-G23 VanDerWaalsContact O-N 3.12Å
24	G	60.1	Low	63	Low	8 Å²	8	113.9 Å²	113.9	8%	0.082	59%	0.588	C	S	.	*			trans	-55.4	149.2	165.5	0	0	0	0	0	111.7	Y18 R26	Y18-G24 PolarHBondContact O-N 3.42Å; G24-R26 PolarHBondContact O-N 3.03Å
25	K	59.8	Low	62.9	Low	177 Å²	177	118.9 Å²	118.9	77%	0.77	61%	0.606	S	S	*	*			trans	-55.9	101	-179.2	-176.7	178.6	-178.5	175.1	0	109.5	A27 E28	K25-A27 PolarHBondContact O-N 3.21Å; K25-E28 WeakPolarHBondContact CE-OE1 3.35Å; K25-E28 IonicContact NZ-OE1 2.76Å; K25-E28 PolarHBondContact NZ-OE1 2.72Å
26	R	60.5	Low	63.5	Low	196 Å²	196	116.5 Å²	116.5	74%	0.74	58%	0.582	S	S	*	*			trans	-56.2	137.5	169.4	-67.8	-177.5	176.3	179.6	-1.6	107.2	G24 E28	G24-R26 PolarHBondContact O-N 3.03Å; R26-E28 PolarHBondContact O-N 2.93Å
27	A	55.4	Low	64.2	Low	94 Å²	94	112.7 Å²	112.7	78%	0.777	56%	0.558	S	S	*	*			trans	-51.8	120.2	167.9	0	0	0	0	0	107	K25 I29	K25-A27 PolarHBondContact O-N 3.21Å; A27-I29 PolarHBondContact O-N 3.03Å
28	E	50.3	Low	64.9	Low	145 Å²	145	111.2 Å²	111.2	68%	0.678	55%	0.554	S	S	*	*			trans	-59.7	108.5	176.8	-77.2	164.9	-141.5	0	0	106	K25 R26 P30	K25-E28 WeakPolarHBondContact CE-OE1 3.35Å; K25-E28 IonicContact NZ-OE1 2.76Å; K25-E28 PolarHBondContact NZ-OE1 2.72Å; R26-E28 PolarHBondContact O-N 2.93Å; E28-P30 VanDerWaalsContact O-CD 3.25Å; E28-P30 WeakPolarHBondContact O-CD 3.25Å
29	I	54.8	Low	65.7	Low	151 Å²	151	107.1 Å²	107.1	77%	0.774	54%	0.539	S	S	*	.			trans	-52.2	116.3	162.8	-58.3	169.6	0	0	0	103.3	A27 R31	A27-I29 PolarHBondContact O-N 3.03Å; I29-R31 VanDerWaalsContact C-N 3.3Å; I29-R31 PolarHBondContact O-N 3.42Å
30	P	50	Low	66.7	Low	115 Å²	115	106 Å²	106	75%	0.747	53%	0.53	S	S	*	.			trans	-62.8	103.8	-178.2	24.4	-31.7	0	0	0	105.7	E28 S32	E28-P30 VanDerWaalsContact O-CD 3.25Å; E28-P30 WeakPolarHBondContact O-CD 3.25Å; P30-S32 VanDerWaalsContact C-N 3.27Å; P30-S32 PolarHBondContact O-N 3.37Å
31	R	50.2	Low	67.8	Low	220 Å²	220	103.1 Å²	103.1	83%	0.83	51%	0.514	S	S	*	.			trans	-59.2	105.1	165.8	-77.6	-175.5	173.8	-178.1	-1.9	103.6	I29 N33	I29-R31 VanDerWaalsContact C-N 3.3Å; I29-R31 PolarHBondContact O-N 3.42Å; R31-N33 PolarHBondContact O-N 2.86Å
32	S	53.3	Low	69	Low	101 Å²	101	95.7 Å²	95.7	71%	0.706	48%	0.481	S	S	*	.			trans	-49.8	117.9	163.7	41.7	0	0	0	0	105	P30 F34	P30-S32 VanDerWaalsContact C-N 3.27Å; P30-S32 PolarHBondContact O-N 3.37Å; S32-F34 PolarHBondContact O-N 2.67Å
33	N	57.8	Low	70.1	Confident	123 Å²	123	88 Å²	88	66%	0.658	45%	0.451	S	S	*	.			trans	-74.9	59.8	-177.4	-83.9	-40.7	0	0	0	108.8	R31 K35	R31-N33 PolarHBondContact O-N 2.86Å; N33-K35 VanDerWaalsContact C-N 3.32Å; N33-K35 PolarHBondContact O-N 3.41Å
34	F	66	Low	71.3	Confident	80 Å²	80	86.6 Å²	86.6	35%	0.351	43%	0.43	S	S	.	.			trans	-67.4	91.8	179.4	-178.1	-98.7	0	0	0	108.1	S32 R36 L164 N168	S32-F34 PolarHBondContact O-N 2.67Å; F34-R36 HydrophobicContact CE1-CB 3.74Å; F34-R36 HydrophobicContact CE1-CG 4.37Å; F34-R36 HydrophobicContact CZ-CB 4.01Å; F34-R36 HydrophobicContact CZ-CG 4.27Å; F34-L164 HydrophobicContact CE2-CB 4.31Å; F34-L164 HydrophobicContact CZ-CB 3.94Å; F34-N168 HydrophobicContact CD2-CB 3.89Å; F34-N168 HydrophobicContact CE2-CB 3.86Å
35	K	75.6	Confident	72.7	Confident	146 Å²	146	88.1 Å²	88.1	64%	0.635	44%	0.439	S	S	*	.			trans	-99.5	99.2	171.6	-70	-174.4	179.1	-176.3	0	106.2	N33 V169	N33-K35 VanDerWaalsContact C-N 3.32Å; N33-K35 PolarHBondContact O-N 3.41Å; K35-V169 HydrophobicContact CB-CB 4.32Å; K35-V169 WeakPolarHBondContact O-CG2 3.42Å; K35-V169 PolarHBondContact O-N 2.92Å
36	R	82.8	Confident	74.2	Confident	59 Å²	59	83 Å²	83	22%	0.223	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-71.8	128.8	175.6	-169.1	-179.8	-174	179.4	3.6	109.5	F34 N112 N113 F167	F34-R36 HydrophobicContact CE1-CB 3.74Å; F34-R36 HydrophobicContact CE1-CG 4.37Å; F34-R36 HydrophobicContact CZ-CB 4.01Å; F34-R36 HydrophobicContact CZ-CG 4.27Å; R36-N112 PolarHBondContact NH1-O 3Å; R36-N112 PolarHBondContact NH2-O 3.01Å; R36-N113 PolarHBondContact NH1-OD1 2.93Å; R36-F167 HydrophobicContact CG-CB 4.45Å
37	L	87.6	Confident	75.6	Confident	12 Å²	12	79.8 Å²	79.8	6%	0.063	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-70.4	131	167.7	-168	68.6	0	0	0	109.9	H41 L46 F167 V169 F172	L37-H41 HydrophobicContact CD1-CB 3.76Å; L37-H41 HydrophobicContact CD2-CB 4.44Å; L37-H41 HydrophobicContact CG-CB 3.96Å; L37-L46 HydrophobicContact CD1-CB 4.47Å; L37-L46 HydrophobicContact CD1-CD2 3.87Å; L37-F167 PolarHBondContact N-O 3.38Å; L37-V169 HydrophobicContact CB-CG2 4.06Å; L37-V169 HydrophobicContact CD1-CG2 4.29Å; L37-F172 HydrophobicContact CD2-CE2 4.46Å; L37-F172 HydrophobicContact CD2-CZ 4.43Å
38	P	90.2	Very high	77.4	Confident	38 Å²	38	79.5 Å²	79.5	25%	0.247	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-63.1	154.9	170.7	-22.2	35.1	0	0	0	112.1	D40 H41 N112	P38-D40 VanDerWaalsContact CB-OD1 3.22Å; P38-D40 WeakPolarHBondContact CB-OD1 3.39Å; P38-D40 PolarHBondContact O-N 2.9Å; P38-H41 PolarHBondContact O-N 2.85Å; P38-N112 WeakPolarHBondContact CA-OD1 3.34Å
39	F	89.7	Confident	79.4	Confident	38 Å²	38	73 Å²	73	17%	0.167	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.6	-172.3	80.2	-89.4	0	0	0	114.5	F49 Y101 F110 N112 I116	F39-F49 WeakPolarHBondContact O-CE1 3.39Å; F39-Y101 HydrophobicContact CE2-CD2 4.08Å; F39-Y101 HydrophobicContact CE2-CG 4.45Å; F39-Y101 HydrophobicContact CZ-CD2 4.35Å; F39-F110 HydrophobicContact CD2-CB 4.43Å; F39-F110 HydrophobicContact CE1-CB 4.25Å; F39-F110 HydrophobicContact CE2-CB 3.65Å; F39-F110 HydrophobicContact CZ-CB 3.54Å; F39-N112 WeakPolarHBondContact CD1-OD1 3.5Å; F39-N112 PolarHBondContact N-OD1 3.16Å; F39-I116 HydrophobicContact CB-CD1 4.4Å; F39-I116 HydrophobicContact CD2-CD1 3.71Å; F39-I116 HydrophobicContact CE2-CD1 4.22Å; F39-I116 HydrophobicContact CG-CD1 4.09Å
40	D	90.8	Very high	81.1	Confident	47 Å²	47	72 Å²	72	25%	0.251	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	5	-178.8	61.2	-24.2	0	0	0	113.1	P38 P48 F49 Y101	P38-D40 VanDerWaalsContact CB-OD1 3.22Å; P38-D40 WeakPolarHBondContact CB-OD1 3.39Å; P38-D40 PolarHBondContact O-N 2.9Å; D40-P48 VanDerWaalsContact O-CA 3.29Å; D40-P48 WeakPolarHBondContact O-CA 3.49Å; D40-F49 VanDerWaalsContact C-CD1 3.46Å; D40-F49 VanDerWaalsContact CA-CE1 3.5Å; D40-F49 WeakPolarHBondContact O-CD1 3.49Å; D40-F49 WeakPolarHBondContact O-CE1 3.31Å; D40-F49 PolarHBondContact O-N 3.04Å; D40-Y101 HydrophobicContact CB-CD2 4.17Å; D40-Y101 HydrophobicContact CB-CE2 3.98Å
41	H	91.6	Very high	83.2	Confident	42 Å²	42	72 Å²	72	19%	0.194	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-107.2	144.4	-177.2	-70.6	52	0	0	0	113	L37 P38 L46 Q47	L37-H41 HydrophobicContact CD1-CB 3.76Å; L37-H41 HydrophobicContact CD2-CB 4.44Å; L37-H41 HydrophobicContact CG-CB 3.96Å; P38-H41 PolarHBondContact O-N 2.85Å; H41-L46 PolarHBondContact CD2-O 3Å; H41-Q47 CarbonylContact C-O 3.56Å; H41-Q47 VanDerWaalsContact CA-O 3.28Å; H41-Q47 WeakPolarHBondContact CA-O 3.33Å
42	C	92.1	Very high	85.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.			trans	-70.2	131.2	171.9	168.5	0	0	0	0	110.9	L44 S45 L46 Q47 F49 D62	C42-L44 PolarHBondContact O-N 2.8Å; C42-L44 VanDerWaalsContact O-N 3.15Å; C42-L44 PolarHBondContact SG-N 3.2Å; C42-L44 VanDerWaalsContact SG-N 3.45Å; C42-S45 VanDerWaalsContact CB-OG 3.29Å; C42-S45 WeakPolarHBondContact CB-OG 3.36Å; C42-S45 PolarHBondContact SG-N 2.96Å; C42-S45 PolarHBondContact SG-OG 3Å; C42-S45 VanDerWaalsContact SG-OG 3.36Å; C42-L46 VanDerWaalsContact O-CA 3.29Å; C42-L46 WeakPolarHBondContact O-CA 3.37Å; C42-L46 PolarHBondContact O-N 3.34Å; C42-Q47 PolarHBondContact N-O 3.05Å; C42-F49 HydrophobicContact CB-CB 4.48Å; C42-D62 HydrophobicContact CB-CB 3.86Å; C42-D62 PolarHBondContact SG-N 3.19Å
43	S	89.9	Confident	87.3	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.6	-176.9	-45.4	0	0	0	0	115.3	V60 H174	S43-V60 VanDerWaalsContact CB-O 3.31Å; S43-V60 WeakPolarHBondContact CB-O 3.46Å; S43-V60 PolarHBondContact N-O 2.82Å; S43-V60 PolarHBondContact OG-O 3.19Å; S43-H174 PolarHBondContact O-CE1 3.49Å
44	L	90.1	Very high	89	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.131	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-50.1	176.4	170.4	61.1	0	0	0	112.1	C42 F61 S65 I66 W69 P77	C42-L44 PolarHBondContact O-N 2.8Å; C42-L44 VanDerWaalsContact O-N 3.15Å; C42-L44 PolarHBondContact SG-N 3.2Å; C42-L44 VanDerWaalsContact SG-N 3.45Å; L44-F61 HydrophobicContact CB-CD1 3.79Å; L44-F61 HydrophobicContact CB-CE1 4.03Å; L44-S65 WeakPolarHBondContact CD2-O 3.35Å; L44-I66 HydrophobicContact CD2-CD1 4.35Å; L44-W69 HydrophobicContact CD1-CD2 4.04Å; L44-W69 HydrophobicContact CD1-CE3 3.41Å; L44-W69 VanDerWaalsContact CD1-CE3 3.41Å; L44-W69 HydrophobicContact CD1-CH2 4.43Å; L44-W69 HydrophobicContact CD1-CZ3 3.65Å; L44-W69 HydrophobicContact CD2-CB 3.73Å; L44-W69 HydrophobicContact CD2-CD2 4.13Å; L44-W69 HydrophobicContact CD2-CE3 3.98Å; L44-W69 HydrophobicContact CD2-CG 4.03Å; L44-W69 HydrophobicContact CG-CE3 4.34Å; L44-P77 HydrophobicContact CB-CB 4.4Å; L44-P77 HydrophobicContact CB-CG 4.24Å; L44-P77 HydrophobicContact CD1-CB 3.98Å; L44-P77 HydrophobicContact CD1-CG 4.06Å; L44-P77 HydrophobicContact CD2-CG 4.13Å; L44-P77 HydrophobicContact CG-CG 4.37Å
45	S	88.4	Confident	90.2	Very high	40 Å²	40	48.3 Å²	48.3	28%	0.28	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.3	179	59.4	0	0	0	0	113.2	C42 Q47	C42-S45 VanDerWaalsContact CB-OG 3.29Å; C42-S45 WeakPolarHBondContact CB-OG 3.36Å; C42-S45 PolarHBondContact SG-N 2.96Å; C42-S45 PolarHBondContact SG-OG 3Å; C42-S45 VanDerWaalsContact SG-OG 3.36Å; S45-Q47 PolarHBondContact O-N 3.19Å
46	L	90.4	Very high	90.9	Very high	70 Å²	70	47 Å²	47	37%	0.366	23%	0.234	S	C	.	.			trans	57.6	26.7	-175	-47.1	176.9	0	0	0	113.1	L37 H41 C42 V169 F172	L37-L46 HydrophobicContact CD1-CB 4.47Å; L37-L46 HydrophobicContact CD1-CD2 3.87Å; H41-L46 PolarHBondContact CD2-O 3Å; C42-L46 VanDerWaalsContact O-CA 3.29Å; C42-L46 WeakPolarHBondContact O-CA 3.37Å; C42-L46 PolarHBondContact O-N 3.34Å; L46-V169 HydrophobicContact CD1-CG1 3.92Å; L46-V169 HydrophobicContact CD2-CG1 4.2Å; L46-V169 HydrophobicContact CD2-CG2 4.28Å; L46-F172 HydrophobicContact CD2-CD2 4.36Å; L46-F172 HydrophobicContact CD2-CE2 4Å
47	Q	91.1	Very high	91.1	Very high	128 Å²	128	48.4 Å²	48.4	60%	0.598	24%	0.243	S	C	*	.	S	Bend	trans	-118.6	159.5	177.9	-71.2	177	-18.4	0	0	110.3	H41 C42 S45 F49	H41-Q47 CarbonylContact C-O 3.56Å; H41-Q47 VanDerWaalsContact CA-O 3.28Å; H41-Q47 WeakPolarHBondContact CA-O 3.33Å; C42-Q47 PolarHBondContact N-O 3.05Å; S45-Q47 PolarHBondContact O-N 3.19Å; Q47-F49 PolarHBondContact O-N 2.67Å
48	P	92.1	Very high	91.1	Very high	88 Å²	88	47.9 Å²	47.9	57%	0.571	24%	0.24	S	C	*	.	B	Isolated β-bridge	trans	-52.2	134.6	172	-25.6	34.5	0	0	0	111.7	D40	D40-P48 VanDerWaalsContact O-CA 3.29Å; D40-P48 WeakPolarHBondContact O-CA 3.49Å
49	F	93.3	Very high	91.1	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.039	23%	0.23	C	C	.	.			trans	-80.3	151.3	178.1	54.6	-116.3	0	0	0	112.4	F39 D40 C42 Q47 P52 V60 D62 F93 Y101	F39-F49 WeakPolarHBondContact O-CE1 3.39Å; D40-F49 VanDerWaalsContact C-CD1 3.46Å; D40-F49 VanDerWaalsContact CA-CE1 3.5Å; D40-F49 WeakPolarHBondContact O-CD1 3.49Å; D40-F49 WeakPolarHBondContact O-CE1 3.31Å; D40-F49 PolarHBondContact O-N 3.04Å; C42-F49 HydrophobicContact CB-CB 4.48Å; Q47-F49 PolarHBondContact O-N 2.67Å; F49-P52 HydrophobicContact CB-CB 4.42Å; F49-P52 HydrophobicContact CD1-CB 4.22Å; F49-P52 HydrophobicContact CD2-CB 3.53Å; F49-P52 HydrophobicContact CD2-CG 3.62Å; F49-P52 HydrophobicContact CE1-CB 4.36Å; F49-P52 HydrophobicContact CE2-CB 3.72Å; F49-P52 HydrophobicContact CE2-CG 3.67Å; F49-P52 HydrophobicContact CG-CB 3.82Å; F49-P52 HydrophobicContact CG-CG 4.39Å; F49-P52 HydrophobicContact CZ-CB 4.14Å; F49-P52 HydrophobicContact CZ-CG 4.45Å; F49-V60 HydrophobicContact CD1-CG1 3.71Å; F49-V60 HydrophobicContact CE1-CG1 3.71Å; F49-D62 HydrophobicContact CB-CB 4.06Å; F49-F93 HydrophobicContact CE1-CE2 4.41Å; F49-F93 HydrophobicContact CE1-CZ 4.47Å; F49-F93 HydrophobicContact CE2-CD2 4.01Å; F49-F93 AromaticContact CE2-CE2 3.95Å; F49-F93 HydrophobicContact CE2-CE2 3.95Å; F49-F93 HydrophobicContact CE2-CZ 4.48Å; F49-F93 HydrophobicContact CZ-CD2 4.05Å; F49-F93 HydrophobicContact CZ-CE1 4.32Å; F49-F93 AromaticContact CZ-CE2 3.55Å; F49-F93 HydrophobicContact CZ-CE2 3.55Å; F49-F93 AromaticContact CZ-CZ 3.71Å; F49-F93 HydrophobicContact CZ-CZ 3.71Å; F49-Y101 HydrophobicContact CE2-CE1 4.49Å; F49-Y101 HydrophobicContact CE2-CE2 4.12Å; F49-Y101 AromaticContact CE2-CZ 3.81Å; F49-Y101 HydrophobicContact CZ-CE2 4.47Å
50	E	91.2	Very high	91.3	Very high	129 Å²	129	44.9 Å²	44.9	60%	0.603	22%	0.224	S	C	*	.	S	Bend	trans	-109.8	-43	171.1	-166.3	-174.9	156.8	0	0	110.6	P52 D62	E50-P52 VanDerWaalsContact C-CD 3.49Å; E50-P52 VanDerWaalsContact O-CD 3.24Å; E50-P52 WeakPolarHBondContact O-CD 3.21Å; E50-D62 PolarHBondContact N-OD1 2.95Å; E50-D62 VanDerWaalsContact N-OD1 3.11Å
51	Y	92.8	Very high	91.4	Very high	116 Å²	116	42.6 Å²	42.6	46%	0.455	21%	0.212	S	C	.	.	S	Bend	trans	-118.5	75	179.5	-58.5	-78.3	0	0	0	110	V53 D62 L63 L64	Y51-V53 PolarHBondContact O-N 2.89Å; Y51-D62 PolarHBondContact N-OD1 2.93Å; Y51-L63 WeakPolarHBondContact O-CB 3.35Å; Y51-L63 PolarHBondContact O-N 2.69Å; Y51-L64 HydrophobicContact CD2-CD1 4.19Å; Y51-L64 HydrophobicContact CD2-CG 4.4Å; Y51-L64 HydrophobicContact CE2-CD1 4.41Å
52	P	94.6	Very high	91.5	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134	-174.1	25.9	-32.9	0	0	0	112.1	F49 E50 V60 F61 L91 F93	F49-P52 HydrophobicContact CB-CB 4.42Å; F49-P52 HydrophobicContact CD1-CB 4.22Å; F49-P52 HydrophobicContact CD2-CB 3.53Å; F49-P52 HydrophobicContact CD2-CG 3.62Å; F49-P52 HydrophobicContact CE1-CB 4.36Å; F49-P52 HydrophobicContact CE2-CB 3.72Å; F49-P52 HydrophobicContact CE2-CG 3.67Å; F49-P52 HydrophobicContact CG-CB 3.82Å; F49-P52 HydrophobicContact CG-CG 4.39Å; F49-P52 HydrophobicContact CZ-CB 4.14Å; F49-P52 HydrophobicContact CZ-CG 4.45Å; E50-P52 VanDerWaalsContact C-CD 3.49Å; E50-P52 VanDerWaalsContact O-CD 3.24Å; E50-P52 WeakPolarHBondContact O-CD 3.21Å; P52-V60 HydrophobicContact CB-CG1 4.16Å; P52-F61 WeakPolarHBondContact CA-O 3.34Å; P52-L91 HydrophobicContact CB-CB 4.08Å; P52-L91 HydrophobicContact CB-CD1 4.43Å; P52-L91 HydrophobicContact CG-CB 4.15Å; P52-L91 PolarHBondContact O-N 2.94Å; P52-F93 HydrophobicContact CB-CD2 4.29Å; P52-F93 HydrophobicContact CB-CE2 4.06Å; P52-F93 HydrophobicContact CG-CD2 3.75Å; P52-F93 HydrophobicContact CG-CE2 4.05Å
53	V	94.5	Very high	91.5	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.3	170.4	-61.5	0	0	0	0	109.1	Y51 V60 F61 L63 I66 L88 I89	Y51-V53 PolarHBondContact O-N 2.89Å; V53-V60 WeakPolarHBondContact O-CA 3.08Å; V53-F61 HydrophobicContact CG2-CB 4.25Å; V53-F61 PolarHBondContact N-O 3.48Å; V53-F61 PolarHBondContact O-N 2.76Å; V53-F61 VanDerWaalsContact O-O 3.05Å; V53-L63 HydrophobicContact CG1-CB 4.13Å; V53-L63 HydrophobicContact CG1-CD1 4.07Å; V53-I66 HydrophobicContact CG2-CG2 3.82Å; V53-L88 HydrophobicContact CB-CB 4.47Å; V53-L88 HydrophobicContact CG2-CD1 4.31Å; V53-L88 HydrophobicContact CG2-CD2 4.4Å; V53-I89 CarbonylContact C-O 3.38Å; V53-I89 WeakPolarHBondContact CA-O 3.47Å
54	C	93.7	Very high	91.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	159.7	174.9	69	0	0	0	0	114.2	V59 L88 I89 L91 L158	C54-V59 WeakPolarHBondContact CA-O 3.26Å; C54-V59 VanDerWaalsContact CB-O 3.25Å; C54-V59 WeakPolarHBondContact CB-O 3.35Å; C54-L88 WeakPolarHBondContact O-CA 3.36Å; C54-I89 PolarHBondContact N-O 2.8Å; C54-I89 PolarHBondContact O-N 3.06Å; C54-L91 HydrophobicContact CB-CD1 3.94Å; C54-L91 HydrophobicContact CB-CG 4.27Å; C54-L158 HydrophobicContact CB-CD2 4.01Å
55	T	92.4	Very high	91.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	26%	0.258	C	S	.	.			trans	-82.1	165.4	164.5	61.9	0	0	0	0	110.6	E57 G58 V59 F61 L83 L88	T55-E57 PolarHBondContact O-N 3.31Å; T55-G58 WeakPolarHBondContact O-CA 3.45Å; T55-G58 PolarHBondContact O-N 3.43Å; T55-V59 PolarHBondContact N-O 2.97Å; T55-V59 VanDerWaalsContact N-O 3.14Å; T55-V59 PolarHBondContact OG1-N 2.62Å; T55-F61 HydrophobicContact CG2-CD2 4.45Å; T55-F61 HydrophobicContact CG2-CE2 3.97Å; T55-L83 HydrophobicContact CG2-CD1 3.97Å; T55-L83 HydrophobicContact CG2-CD2 4.06Å; T55-L88 HydrophobicContact CG2-CD2 4.26Å
56	E	89.5	Confident	91.6	Very high	118 Å²	118	48.6 Å²	48.6	55%	0.551	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.4	173.5	-54.6	-164.2	149.2	0	0	113	G58 I89 K120	E56-G58 PolarHBondContact O-N 3.42Å; E56-I89 HydrophobicContact CG-CD1 4.47Å; E56-K120 WeakPolarHBondContact OE1-CE 3.4Å; E56-K120 IonicContact OE1-NZ 2.64Å; E56-K120 PolarHBondContact OE1-NZ 2.88Å
57	E	87.3	Confident	91.6	Very high	90 Å²	90	47.3 Å²	47.3	42%	0.421	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.1	173.2	-53.2	175.7	126.3	0	0	113.2	T55 V59 N76 K166	T55-E57 PolarHBondContact O-N 3.31Å; E57-V59 HydrophobicContact CB-CG2 4.46Å; E57-N76 PolarHBondContact OE2-ND2 3.4Å; E57-K166 WeakPolarHBondContact O-CE 3.32Å; E57-K166 PolarHBondContact O-NZ 2.69Å
58	G	87.6	Confident	91.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.			trans	74.2	38.9	-174.7	0	0	0	0	0	113.7	T55 E56 K166	T55-G58 WeakPolarHBondContact O-CA 3.45Å; T55-G58 PolarHBondContact O-N 3.43Å; E56-G58 PolarHBondContact O-N 3.42Å; G58-K166 VanDerWaalsContact C-NZ 3.33Å; G58-K166 PolarHBondContact O-NZ 3.02Å
59	V	90.9	Very high	91.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	20%	0.198	C	C	.	.			trans	-93.9	129.2	166.9	175.4	0	0	0	0	108.8	C54 T55 E57 F61 I78	C54-V59 WeakPolarHBondContact CA-O 3.26Å; C54-V59 VanDerWaalsContact CB-O 3.25Å; C54-V59 WeakPolarHBondContact CB-O 3.35Å; T55-V59 PolarHBondContact N-O 2.97Å; T55-V59 VanDerWaalsContact N-O 3.14Å; T55-V59 PolarHBondContact OG1-N 2.62Å; E57-V59 HydrophobicContact CB-CG2 4.46Å; V59-F61 HydrophobicContact CB-CE2 4.13Å; V59-F61 HydrophobicContact CB-CZ 4.43Å; V59-F61 HydrophobicContact CG1-CD2 4.16Å; V59-F61 HydrophobicContact CG1-CE1 4.04Å; V59-F61 HydrophobicContact CG1-CE2 3.48Å; V59-F61 VanDerWaalsContact CG1-CE2 3.48Å; V59-F61 HydrophobicContact CG1-CZ 3.4Å; V59-F61 VanDerWaalsContact CG1-CZ 3.4Å; V59-I78 HydrophobicContact CB-CD1 4.32Å; V59-I78 HydrophobicContact CG1-CD1 3.3Å; V59-I78 HydrophobicContact CG1-CG1 4.07Å; V59-I78 HydrophobicContact CG2-CD1 4.04Å
60	V	92.9	Very high	91.2	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.1	-179.4	-174.5	0	0	0	0	111.3	S43 F49 P52 V53 L91 L158	S43-V60 VanDerWaalsContact CB-O 3.31Å; S43-V60 WeakPolarHBondContact CB-O 3.46Å; S43-V60 PolarHBondContact N-O 2.82Å; S43-V60 PolarHBondContact OG-O 3.19Å; F49-V60 HydrophobicContact CD1-CG1 3.71Å; F49-V60 HydrophobicContact CE1-CG1 3.71Å; P52-V60 HydrophobicContact CB-CG1 4.16Å; V53-V60 WeakPolarHBondContact O-CA 3.08Å; V60-L91 HydrophobicContact CG1-CD1 4.3Å; V60-L91 HydrophobicContact CG2-CD1 3.98Å; V60-L158 HydrophobicContact CG2-CD2 4.02Å
61	F	93.8	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	163.9	171.5	-59.8	-73.3	0	0	0	110.2	L44 P52 V53 T55 V59 I66 P77 I78	L44-F61 HydrophobicContact CB-CD1 3.79Å; L44-F61 HydrophobicContact CB-CE1 4.03Å; P52-F61 WeakPolarHBondContact CA-O 3.34Å; V53-F61 HydrophobicContact CG2-CB 4.25Å; V53-F61 PolarHBondContact N-O 3.48Å; V53-F61 PolarHBondContact O-N 2.76Å; V53-F61 VanDerWaalsContact O-O 3.05Å; T55-F61 HydrophobicContact CG2-CD2 4.45Å; T55-F61 HydrophobicContact CG2-CE2 3.97Å; V59-F61 HydrophobicContact CB-CE2 4.13Å; V59-F61 HydrophobicContact CB-CZ 4.43Å; V59-F61 HydrophobicContact CG1-CD2 4.16Å; V59-F61 HydrophobicContact CG1-CE1 4.04Å; V59-F61 HydrophobicContact CG1-CE2 3.48Å; V59-F61 VanDerWaalsContact CG1-CE2 3.48Å; V59-F61 HydrophobicContact CG1-CZ 3.4Å; V59-F61 VanDerWaalsContact CG1-CZ 3.4Å; F61-I66 HydrophobicContact CB-CB 3.88Å; F61-I66 HydrophobicContact CB-CD1 4.43Å; F61-I66 HydrophobicContact CB-CG1 4.18Å; F61-I66 HydrophobicContact CB-CG2 4.25Å; F61-I66 HydrophobicContact CD1-CD1 4.06Å; F61-I66 HydrophobicContact CD2-CD1 3.98Å; F61-I66 HydrophobicContact CD2-CG1 4.14Å; F61-I66 HydrophobicContact CE1-CD1 4.27Å; F61-I66 HydrophobicContact CE2-CD1 4.18Å; F61-I66 HydrophobicContact CG-CB 4.3Å; F61-I66 HydrophobicContact CG-CD1 3.9Å; F61-I66 HydrophobicContact CG-CG1 4.1Å; F61-I66 HydrophobicContact CZ-CD1 4.33Å; F61-P77 HydrophobicContact CD1-CG 4.49Å; F61-P77 HydrophobicContact CE1-CB 3.97Å; F61-P77 HydrophobicContact CE1-CG 3.72Å; F61-P77 HydrophobicContact CZ-CB 4.25Å; F61-P77 HydrophobicContact CZ-CG 3.92Å; F61-I78 HydrophobicContact CE1-CG1 4.47Å; F61-I78 HydrophobicContact CZ-CG1 4.23Å
62	D	93.7	Very high	90.8	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.5	167.2	177.9	78	0	0	0	110.1	C42 F49 E50 Y51 L64 S65 I66	C42-D62 HydrophobicContact CB-CB 3.86Å; C42-D62 PolarHBondContact SG-N 3.19Å; F49-D62 HydrophobicContact CB-CB 4.06Å; E50-D62 PolarHBondContact N-OD1 2.95Å; E50-D62 VanDerWaalsContact N-OD1 3.11Å; Y51-D62 PolarHBondContact N-OD1 2.93Å; D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 2.68Å; D62-L64 WeakPolarHBondContact OD2-CB 3.37Å; D62-L64 PolarHBondContact OD2-N 3.14Å; D62-S65 PolarHBondContact O-N 2.98Å; D62-S65 VanDerWaalsContact O-N 3.08Å; D62-I66 WeakPolarHBondContact O-CG2 3.32Å; D62-I66 PolarHBondContact O-N 2.89Å
63	L	91.5	Very high	90.4	Very high	73 Å²	73	43.7 Å²	43.7	38%	0.382	22%	0.215	S	C	.	.	H	α-helix	trans	-56.6	-41.1	-174.7	-178.2	65.3	0	0	0	112.8	Y51 V53 S65 V67	Y51-L63 WeakPolarHBondContact O-CB 3.35Å; Y51-L63 PolarHBondContact O-N 2.69Å; V53-L63 HydrophobicContact CG1-CB 4.13Å; V53-L63 HydrophobicContact CG1-CD1 4.07Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.34Å; L63-V67 HydrophobicContact CD1-CG2 3.73Å; L63-V67 HydrophobicContact CG-CG2 4.45Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3.16Å
64	L	89.8	Confident	90	Very high	116 Å²	116	44.7 Å²	44.7	61%	0.607	23%	0.228	S	C	*	.	H	α-helix	trans	-68.1	-31.3	-179	-60.5	172.4	0	0	0	111.3	Y51 D62 P68	Y51-L64 HydrophobicContact CD2-CD1 4.19Å; Y51-L64 HydrophobicContact CD2-CG 4.4Å; Y51-L64 HydrophobicContact CE2-CD1 4.41Å; D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 2.68Å; D62-L64 WeakPolarHBondContact OD2-CB 3.37Å; D62-L64 PolarHBondContact OD2-N 3.14Å; L64-P68 WeakPolarHBondContact O-CD 3.37Å; L64-P68 WeakPolarHBondContact O-CG 3.41Å
65	S	89.6	Confident	89.7	Confident	33 Å²	33	46.1 Å²	46.1	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-81.2	-42.8	179.5	-58.6	0	0	0	0	113.2	L44 D62 L63	L44-S65 WeakPolarHBondContact CD2-O 3.35Å; D62-S65 PolarHBondContact O-N 2.98Å; D62-S65 VanDerWaalsContact O-N 3.08Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.34Å
66	I	90.1	Very high	89.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-80.2	-30.7	-171.3	-166.4	62.5	0	0	0	113.6	L44 V53 F61 D62 W69 I70 P77 L83 L88	L44-I66 HydrophobicContact CD2-CD1 4.35Å; V53-I66 HydrophobicContact CG2-CG2 3.82Å; F61-I66 HydrophobicContact CB-CB 3.88Å; F61-I66 HydrophobicContact CB-CD1 4.43Å; F61-I66 HydrophobicContact CB-CG1 4.18Å; F61-I66 HydrophobicContact CB-CG2 4.25Å; F61-I66 HydrophobicContact CD1-CD1 4.06Å; F61-I66 HydrophobicContact CD2-CD1 3.98Å; F61-I66 HydrophobicContact CD2-CG1 4.14Å; F61-I66 HydrophobicContact CE1-CD1 4.27Å; F61-I66 HydrophobicContact CE2-CD1 4.18Å; F61-I66 HydrophobicContact CG-CB 4.3Å; F61-I66 HydrophobicContact CG-CD1 3.9Å; F61-I66 HydrophobicContact CG-CG1 4.1Å; F61-I66 HydrophobicContact CZ-CD1 4.33Å; D62-I66 WeakPolarHBondContact O-CG2 3.32Å; D62-I66 PolarHBondContact O-N 2.89Å; I66-W69 HydrophobicContact CD1-CB 4.42Å; I66-W69 WeakPolarHBondContact O-CB 3.46Å; I66-W69 PolarHBondContact O-N 3.34Å; I66-I70 HydrophobicContact CD1-CG1 4.49Å; I66-I70 HydrophobicContact CG1-CD1 3.94Å; I66-I70 HydrophobicContact CG1-CG1 4.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.32Å; I66-P77 HydrophobicContact CD1-CG 3.64Å; I66-L83 HydrophobicContact CD1-CD2 4.45Å; I66-L88 HydrophobicContact CG1-CD1 4.22Å; I66-L88 HydrophobicContact CG2-CD1 3.69Å
67	V	90.3	Very high	89.3	Confident	42 Å²	42	40.5 Å²	40.5	26%	0.255	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-45.5	-179.6	171	0	0	0	0	112.4	L63 W69 I70 K71	L63-V67 HydrophobicContact CD1-CG2 3.73Å; L63-V67 HydrophobicContact CG-CG2 4.45Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3.16Å; V67-W69 VanDerWaalsContact C-N 3.29Å; V67-W69 PolarHBondContact O-N 3.01Å; V67-I70 PolarHBondContact O-N 2.93Å; V67-K71 HydrophobicContact CG1-CD 4.36Å; V67-K71 WeakPolarHBondContact O-CG 3.11Å; V67-K71 PolarHBondContact O-N 3.47Å; V67-K71 VanDerWaalsContact O-N 3.1Å
68	P	90	Very high	89.4	Confident	46 Å²	46	37.5 Å²	37.5	30%	0.299	20%	0.196	S	C	.	.	H	α-helix	trans	-58.5	-38	169.5	-26.3	36.4	0	0	0	113.2	L64 K71 K72 V181	L64-P68 WeakPolarHBondContact O-CD 3.37Å; L64-P68 WeakPolarHBondContact O-CG 3.41Å; P68-K71 PolarHBondContact O-N 3.35Å; P68-K72 WeakPolarHBondContact O-CB 3.45Å; P68-K72 PolarHBondContact O-N 2.9Å; P68-V181 HydrophobicContact CB-CG1 3.99Å
69	W	89.1	Confident	89.2	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-49.4	177.5	-177.2	-79.2	0	0	0	112.9	L44 I66 V67 K71 K72 Y73 T75 P77 H174 L179 V181	L44-W69 HydrophobicContact CD1-CD2 4.04Å; L44-W69 HydrophobicContact CD1-CE3 3.41Å; L44-W69 VanDerWaalsContact CD1-CE3 3.41Å; L44-W69 HydrophobicContact CD1-CH2 4.43Å; L44-W69 HydrophobicContact CD1-CZ3 3.65Å; L44-W69 HydrophobicContact CD2-CB 3.73Å; L44-W69 HydrophobicContact CD2-CD2 4.13Å; L44-W69 HydrophobicContact CD2-CE3 3.98Å; L44-W69 HydrophobicContact CD2-CG 4.03Å; L44-W69 HydrophobicContact CG-CE3 4.34Å; I66-W69 HydrophobicContact CD1-CB 4.42Å; I66-W69 WeakPolarHBondContact O-CB 3.46Å; I66-W69 PolarHBondContact O-N 3.34Å; V67-W69 VanDerWaalsContact C-N 3.29Å; V67-W69 PolarHBondContact O-N 3.01Å; W69-K71 VanDerWaalsContact C-N 3.26Å; W69-K71 PolarHBondContact O-N 3.36Å; W69-K72 PolarHBondContact O-N 2.91Å; W69-K72 VanDerWaalsContact O-N 3.13Å; W69-Y73 AromaticContact CD2-CD2 3.82Å; W69-Y73 HydrophobicContact CD2-CD2 3.82Å; W69-Y73 HydrophobicContact CD2-CE2 4.48Å; W69-Y73 AromaticContact CE2-CD2 3.77Å; W69-Y73 AromaticContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CE2 4.2Å; W69-Y73 HydrophobicContact CG-CD2 4.4Å; W69-Y73 HydrophobicContact CH2-CD2 4.08Å; W69-Y73 HydrophobicContact CH2-CE2 4.19Å; W69-Y73 AromaticContact CZ2-CD2 3.92Å; W69-Y73 HydrophobicContact CZ2-CD2 3.92Å; W69-Y73 HydrophobicContact CZ2-CE2 4.48Å; W69-Y73 HydrophobicContact CZ2-CG 4.39Å; W69-Y73 HydrophobicContact CZ3-CD2 4.12Å; W69-Y73 HydrophobicContact CZ3-CE2 4.05Å; W69-Y73 PolarHBondContact O-N 2.92Å; W69-T75 PolarHBondContact NE1-O 3.28Å; W69-P77 HydrophobicContact CD2-CG 3.98Å; W69-P77 HydrophobicContact CG-CG 3.98Å; W69-P77 HydrophobicContact CZ2-CB 4.33Å; W69-P77 HydrophobicContact CZ2-CG 4.44Å; W69-H174 HydrophobicContact CH2-CB 3.39Å; W69-H174 HydrophobicContact CZ2-CB 3.99Å; W69-H174 HydrophobicContact CZ3-CB 4.09Å; W69-L179 HydrophobicContact CH2-CB 3.58Å; W69-L179 HydrophobicContact CZ2-CB 4.41Å; W69-L179 HydrophobicContact CZ3-CB 4.37Å; W69-V181 HydrophobicContact CB-CG2 4.02Å; W69-V181 HydrophobicContact CD2-CG2 4.16Å; W69-V181 HydrophobicContact CE3-CG2 3.55Å; W69-V181 HydrophobicContact CG-CG2 4.41Å; W69-V181 HydrophobicContact CZ3-CG2 4.32Å
70	I	90.4	Very high	88.8	Confident	22 Å²	22	40.6 Å²	40.6	11%	0.113	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-38.5	177	-68.8	170.6	0	0	0	110.4	I66 V67 K72 G74 L83 A85 L88	I66-I70 HydrophobicContact CD1-CG1 4.49Å; I66-I70 HydrophobicContact CG1-CD1 3.94Å; I66-I70 HydrophobicContact CG1-CG1 4.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.32Å; V67-I70 PolarHBondContact O-N 2.93Å; I70-K72 PolarHBondContact O-N 3.39Å; I70-G74 VanDerWaalsContact O-CA 3.28Å; I70-G74 WeakPolarHBondContact O-CA 3.24Å; I70-G74 PolarHBondContact O-N 3.24Å; I70-L83 HydrophobicContact CD1-CD2 3.94Å; I70-L83 HydrophobicContact CD1-CG 3.98Å; I70-L83 HydrophobicContact CG1-CD2 4.29Å; I70-L83 HydrophobicContact CG1-CG 4.4Å; I70-L83 WeakPolarHBondContact CG2-O 3.42Å; I70-A85 HydrophobicContact CD1-CB 4.37Å; I70-A85 HydrophobicContact CG2-CB 4.32Å; I70-L88 HydrophobicContact CD1-CD1 3.79Å; I70-L88 HydrophobicContact CD1-CG 4.39Å
71	K	88.6	Confident	88.6	Confident	171 Å²	171	46.2 Å²	46.2	74%	0.743	25%	0.248	S	C	*	.	H	α-helix	trans	-64.5	-35.8	174.8	-72.6	174.3	-179.6	179.6	0	113.7	V67 P68 W69	V67-K71 HydrophobicContact CG1-CD 4.36Å; V67-K71 WeakPolarHBondContact O-CG 3.11Å; V67-K71 PolarHBondContact O-N 3.47Å; V67-K71 VanDerWaalsContact O-N 3.1Å; P68-K71 PolarHBondContact O-N 3.35Å; W69-K71 VanDerWaalsContact C-N 3.26Å; W69-K71 PolarHBondContact O-N 3.36Å
72	K	86.3	Confident	88.4	Confident	87 Å²	87	55.7 Å²	55.7	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-86.7	-37.7	-176.9	-165.2	171.1	-168.3	170.4	0	113.4	P68 W69 I70 V181 E187	P68-K72 WeakPolarHBondContact O-CB 3.45Å; P68-K72 PolarHBondContact O-N 2.9Å; W69-K72 PolarHBondContact O-N 2.91Å; W69-K72 VanDerWaalsContact O-N 3.13Å; I70-K72 PolarHBondContact O-N 3.39Å; K72-V181 HydrophobicContact CB-CG2 4.33Å; K72-V181 HydrophobicContact CD-CG1 4.32Å; K72-V181 HydrophobicContact CD-CG2 4.13Å; K72-E187 IonicContact NZ-OE1 2.81Å; K72-E187 PolarHBondContact NZ-OE1 2.57Å
73	Y	85.9	Confident	88.2	Confident	80 Å²	80	55.9 Å²	55.9	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-124.2	-17.1	-169.8	-63.8	-67.1	0	0	0	115.3	W69 T75 L179 K180 V181	W69-Y73 AromaticContact CD2-CD2 3.82Å; W69-Y73 HydrophobicContact CD2-CD2 3.82Å; W69-Y73 HydrophobicContact CD2-CE2 4.48Å; W69-Y73 AromaticContact CE2-CD2 3.77Å; W69-Y73 AromaticContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CE2 4.2Å; W69-Y73 HydrophobicContact CG-CD2 4.4Å; W69-Y73 HydrophobicContact CH2-CD2 4.08Å; W69-Y73 HydrophobicContact CH2-CE2 4.19Å; W69-Y73 AromaticContact CZ2-CD2 3.92Å; W69-Y73 HydrophobicContact CZ2-CD2 3.92Å; W69-Y73 HydrophobicContact CZ2-CE2 4.48Å; W69-Y73 HydrophobicContact CZ2-CG 4.39Å; W69-Y73 HydrophobicContact CZ3-CD2 4.12Å; W69-Y73 HydrophobicContact CZ3-CE2 4.05Å; W69-Y73 PolarHBondContact O-N 2.92Å; Y73-T75 PolarHBondContact O-N 3.44Å; Y73-T75 PolarHBondContact O-OG1 2.97Å; Y73-L179 HydrophobicContact CD1-CD2 4.49Å; Y73-L179 HydrophobicContact CE1-CD2 3.85Å; Y73-K180 PolarHBondContact OH-O 2.95Å; Y73-V181 HydrophobicContact CD2-CG2 4.12Å; Y73-V181 HydrophobicContact CE2-CG2 3.85Å
74	G	85.6	Confident	88	Confident	30 Å²	30	59 Å²	59	31%	0.309	30%	0.302	S	S	.	.			trans	60.8	15.5	178.9	0	0	0	0	0	115.9	I70 K82 L83	I70-G74 VanDerWaalsContact O-CA 3.28Å; I70-G74 WeakPolarHBondContact O-CA 3.24Å; I70-G74 PolarHBondContact O-N 3.24Å; G74-K82 WeakPolarHBondContact O-CA 3.45Å; G74-L83 PolarHBondContact O-N 3.48Å; G74-L83 VanDerWaalsContact O-N 3.08Å
75	T	88.4	Confident	87.9	Confident	30 Å²	30	56.1 Å²	56.1	18%	0.184	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-129.9	156.9	-171.9	48.4	0	0	0	0	112.7	W69 Y73 G80 E81	W69-T75 PolarHBondContact NE1-O 3.28Å; Y73-T75 PolarHBondContact O-N 3.44Å; Y73-T75 PolarHBondContact O-OG1 2.97Å; T75-G80 WeakPolarHBondContact CG2-O 3.44Å; T75-E81 CarbonylContact C-O 3.55Å; T75-E81 WeakPolarHBondContact CA-O 3.43Å; T75-E81 WeakPolarHBondContact CB-O 3.44Å
76	N	88.1	Confident	87.8	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.027	32%	0.324	C	S	.	.			trans	-71.7	123.1	173	-179.9	-23.4	0	0	0	110	E57 I78 S79 G80 E81 L83	E57-N76 PolarHBondContact OE2-ND2 3.4Å; N76-I78 PolarHBondContact O-N 3.46Å; N76-I78 VanDerWaalsContact O-N 3.09Å; N76-I78 PolarHBondContact OD1-N 2.88Å; N76-S79 WeakPolarHBondContact CB-OG 3.49Å; N76-S79 PolarHBondContact ND2-OG 3.28Å; N76-G80 WeakPolarHBondContact O-CA 3.48Å; N76-G80 PolarHBondContact O-N 2.65Å; N76-E81 PolarHBondContact N-O 2.93Å; N76-L83 HydrophobicContact CB-CB 4.25Å; N76-L83 HydrophobicContact CB-CD2 4.24Å
77	P	86.4	Confident	87.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.6	179.7	-24.8	30.8	0	0	0	116.4	L44 F61 I66 W69 F173 H174	L44-P77 HydrophobicContact CB-CB 4.4Å; L44-P77 HydrophobicContact CB-CG 4.24Å; L44-P77 HydrophobicContact CD1-CB 3.98Å; L44-P77 HydrophobicContact CD1-CG 4.06Å; L44-P77 HydrophobicContact CD2-CG 4.13Å; L44-P77 HydrophobicContact CG-CG 4.37Å; F61-P77 HydrophobicContact CD1-CG 4.49Å; F61-P77 HydrophobicContact CE1-CB 3.97Å; F61-P77 HydrophobicContact CE1-CG 3.72Å; F61-P77 HydrophobicContact CZ-CB 4.25Å; F61-P77 HydrophobicContact CZ-CG 3.92Å; I66-P77 HydrophobicContact CD1-CG 3.64Å; W69-P77 HydrophobicContact CD2-CG 3.98Å; W69-P77 HydrophobicContact CG-CG 3.98Å; W69-P77 HydrophobicContact CZ2-CB 4.33Å; W69-P77 HydrophobicContact CZ2-CG 4.44Å; P77-F173 PolarHBondContact O-N 3.16Å; P77-H174 HydrophobicContact CB-CB 4.45Å; P77-H174 PolarHBondContact O-N 3.37Å; P77-H174 PolarHBondContact O-ND1 2.87Å
78	I	87.7	Confident	87.9	Confident	26 Å²	26	65 Å²	65	13%	0.133	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-54.4	-179.4	-59.4	-166.3	0	0	0	111.9	V59 F61 N76 F172 F173	V59-I78 HydrophobicContact CB-CD1 4.32Å; V59-I78 HydrophobicContact CG1-CD1 3.3Å; V59-I78 HydrophobicContact CG1-CG1 4.07Å; V59-I78 HydrophobicContact CG2-CD1 4.04Å; F61-I78 HydrophobicContact CE1-CG1 4.47Å; F61-I78 HydrophobicContact CZ-CG1 4.23Å; N76-I78 PolarHBondContact O-N 3.46Å; N76-I78 VanDerWaalsContact O-N 3.09Å; N76-I78 PolarHBondContact OD1-N 2.88Å; I78-F172 HydrophobicContact CD1-CD1 4.07Å; I78-F172 HydrophobicContact CD1-CE1 3.83Å; I78-F172 HydrophobicContact CD1-CZ 4.12Å; I78-F172 HydrophobicContact CG1-CD1 4.14Å; I78-F172 HydrophobicContact CG1-CE1 4.39Å; I78-F172 HydrophobicContact CG1-CG 4.31Å; I78-F172 HydrophobicContact CG2-CD1 3.93Å; I78-F172 HydrophobicContact CG2-CE1 4.39Å; I78-F173 WeakPolarHBondContact O-CB 3.28Å; I78-F173 PolarHBondContact O-N 3.41Å; I78-F173 VanDerWaalsContact O-N 3.09Å
79	S	84.3	Confident	88.1	Confident	48 Å²	48	63.8 Å²	63.8	34%	0.336	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.2	-174.1	60.6	0	0	0	0	114.1	N76 E81	N76-S79 WeakPolarHBondContact CB-OG 3.49Å; N76-S79 PolarHBondContact ND2-OG 3.28Å; S79-E81 PolarHBondContact O-N 3.45Å
80	G	82.7	Confident	88.4	Confident	22 Å²	22	70.6 Å²	70.6	23%	0.227	35%	0.353	C	S	.	.			trans	79.5	-1.2	-173.6	0	0	0	0	0	114.5	T75 N76	T75-G80 WeakPolarHBondContact CG2-O 3.44Å; N76-G80 WeakPolarHBondContact O-CA 3.48Å; N76-G80 PolarHBondContact O-N 2.65Å
81	E	88.4	Confident	88.6	Confident	127 Å²	127	69.8 Å²	69.8	59%	0.593	35%	0.349	S	S	*	.			trans	-70.6	162.4	176.6	-61.4	-170.9	175.7	0	0	112.2	T75 N76 S79	T75-E81 CarbonylContact C-O 3.55Å; T75-E81 WeakPolarHBondContact CA-O 3.43Å; T75-E81 WeakPolarHBondContact CB-O 3.44Å; N76-E81 PolarHBondContact N-O 2.93Å; S79-E81 PolarHBondContact O-N 3.45Å
82	K	89.6	Confident	88.8	Confident	198 Å²	198	64.8 Å²	64.8	86%	0.861	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-68.2	134	178.6	-70.6	-176	178	-179.4	0	111	G74	G74-K82 WeakPolarHBondContact O-CA 3.45Å
83	L	89.5	Confident	89.2	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.089	32%	0.319	C	S	.	.			trans	-132.5	128.1	-178.5	-176.4	63.7	0	0	0	110.9	T55 I66 I70 G74 N76 L88	T55-L83 HydrophobicContact CG2-CD1 3.97Å; T55-L83 HydrophobicContact CG2-CD2 4.06Å; I66-L83 HydrophobicContact CD1-CD2 4.45Å; I70-L83 HydrophobicContact CD1-CD2 3.94Å; I70-L83 HydrophobicContact CD1-CG 3.98Å; I70-L83 HydrophobicContact CG1-CD2 4.29Å; I70-L83 HydrophobicContact CG1-CG 4.4Å; I70-L83 WeakPolarHBondContact CG2-O 3.42Å; G74-L83 PolarHBondContact O-N 3.48Å; G74-L83 VanDerWaalsContact O-N 3.08Å; N76-L83 HydrophobicContact CB-CB 4.25Å; N76-L83 HydrophobicContact CB-CD2 4.24Å; L83-L88 HydrophobicContact CD2-CD2 4.34Å
84	E	88.1	Confident	89.6	Confident	138 Å²	138	59.7 Å²	59.7	65%	0.645	32%	0.315	S	S	*	.			trans	-98.3	144.7	175.5	-65.7	-170	-172.1	0	0	111.1	K86 S87	E84-K86 PolarHBondContact O-N 2.93Å; E84-K86 VanDerWaalsContact O-N 3.11Å; E84-S87 PolarHBondContact O-N 3.18Å; E84-S87 PolarHBondContact O-OG 2.95Å; E84-S87 VanDerWaalsContact O-OG 3.04Å
85	A	87.4	Confident	90	Very high	55 Å²	55	64.1 Å²	64.1	46%	0.455	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-64	-18.8	178.1	0	0	0	0	0	113.6	I70	I70-A85 HydrophobicContact CD1-CB 4.37Å; I70-A85 HydrophobicContact CG2-CB 4.32Å
86	K	87.9	Confident	90.2	Very high	192 Å²	192	65.1 Å²	65.1	84%	0.835	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-81.1	-19.5	178.7	-67.8	-177.8	179.8	177.3	0	114.2	E84 L88	E84-K86 PolarHBondContact O-N 2.93Å; E84-K86 VanDerWaalsContact O-N 3.11Å; K86-L88 VanDerWaalsContact C-N 3.32Å
87	S	89.2	Confident	90.4	Very high	45 Å²	45	73.2 Å²	73.2	32%	0.315	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-89.8	1.5	177.5	60.8	0	0	0	0	113.3	E84	E84-S87 PolarHBondContact O-N 3.18Å; E84-S87 PolarHBondContact O-OG 2.95Å; E84-S87 VanDerWaalsContact O-OG 3.04Å
88	L	91.9	Very high	90.6	Very high	25 Å²	25	78.9 Å²	78.9	13%	0.131	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-76.5	128.2	171.4	-66.5	175.7	0	0	0	110.5	V53 C54 T55 I66 I70 L83 K86	V53-L88 HydrophobicContact CB-CB 4.47Å; V53-L88 HydrophobicContact CG2-CD1 4.31Å; V53-L88 HydrophobicContact CG2-CD2 4.4Å; C54-L88 WeakPolarHBondContact O-CA 3.36Å; T55-L88 HydrophobicContact CG2-CD2 4.26Å; I66-L88 HydrophobicContact CG1-CD1 4.22Å; I66-L88 HydrophobicContact CG2-CD1 3.69Å; I70-L88 HydrophobicContact CD1-CD1 3.79Å; I70-L88 HydrophobicContact CD1-CG 4.39Å; L83-L88 HydrophobicContact CD2-CD2 4.34Å; K86-L88 VanDerWaalsContact C-N 3.32Å
89	I	94.1	Very high	90.7	Very high	21 Å²	21	79.7 Å²	79.7	11%	0.108	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.7	179.2	-61.6	150.8	0	0	0	107.7	V53 C54 E56 K120 I156	V53-I89 CarbonylContact C-O 3.38Å; V53-I89 WeakPolarHBondContact CA-O 3.47Å; C54-I89 PolarHBondContact N-O 2.8Å; C54-I89 PolarHBondContact O-N 3.06Å; E56-I89 HydrophobicContact CG-CD1 4.47Å; I89-K120 HydrophobicContact CD1-CB 4.37Å; I89-K120 HydrophobicContact CD1-CD 4.23Å; I89-K120 HydrophobicContact CD1-CG 3.73Å; I89-K120 HydrophobicContact CG1-CG 4.39Å; I89-I156 HydrophobicContact CD1-CD1 3.31Å
90	K	95	Very high	91.1	Very high	144 Å²	144	82.6 Å²	82.6	63%	0.626	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.8	175.7	-177	-178.2	173.7	-173.4	0	110	G123	K90-G123 WeakPolarHBondContact O-CA 3.28Å
91	L	95.4	Very high	91.6	Very high	5 Å²	5	83.1 Å²	83.1	3%	0.026	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-102.3	134.4	176.2	-66.2	-179.1	0	0	0	111.8	P52 C54 V60 F93 A118 G123 V125 L158	P52-L91 HydrophobicContact CB-CB 4.08Å; P52-L91 HydrophobicContact CB-CD1 4.43Å; P52-L91 HydrophobicContact CG-CB 4.15Å; P52-L91 PolarHBondContact O-N 2.94Å; C54-L91 HydrophobicContact CB-CD1 3.94Å; C54-L91 HydrophobicContact CB-CG 4.27Å; V60-L91 HydrophobicContact CG1-CD1 4.3Å; V60-L91 HydrophobicContact CG2-CD1 3.98Å; L91-F93 HydrophobicContact CB-CD2 4.13Å; L91-F93 HydrophobicContact CB-CE2 3.96Å; L91-F93 HydrophobicContact CD1-CE2 3.84Å; L91-F93 HydrophobicContact CD1-CZ 4.45Å; L91-A118 HydrophobicContact CD2-CB 3.47Å; L91-A118 VanDerWaalsContact CD2-CB 3.47Å; L91-G123 CarbonylContact C-O 3.45Å; L91-G123 WeakPolarHBondContact CA-O 3.35Å; L91-V125 HydrophobicContact CB-CG2 4.16Å; L91-V125 HydrophobicContact CD2-CG2 4.07Å; L91-L158 HydrophobicContact CD1-CD1 3.66Å; L91-L158 HydrophobicContact CD1-CD2 4.01Å; L91-L158 HydrophobicContact CD2-CD1 4.2Å; L91-L158 HydrophobicContact CD2-CD2 4.49Å
92	N	94.1	Very high	91.9	Very high	65 Å²	65	77.7 Å²	77.7	35%	0.348	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-109.5	97.8	175.5	-55.7	-37.5	0	0	0	108.9	T122 G123 N124 V125	N92-T122 PolarHBondContact ND2-O 3.2Å; N92-G123 PolarHBondContact N-O 2.83Å; N92-N124 PolarHBondContact ND2-OD1 2.84Å; N92-N124 VanDerWaalsContact ND2-OD1 3.14Å; N92-V125 PolarHBondContact O-N 3.09Å
93	F	94.4	Very high	92.2	Very high	32 Å²	32	68.3 Å²	68.3	14%	0.14	35%	0.354	C	S	.	.			trans	-90.7	131.8	174.2	-78.9	-96.2	0	0	0	111.4	F49 P52 L91 Y101 V125 L158	F49-F93 HydrophobicContact CE1-CE2 4.41Å; F49-F93 HydrophobicContact CE1-CZ 4.47Å; F49-F93 HydrophobicContact CE2-CD2 4.01Å; F49-F93 AromaticContact CE2-CE2 3.95Å; F49-F93 HydrophobicContact CE2-CE2 3.95Å; F49-F93 HydrophobicContact CE2-CZ 4.48Å; F49-F93 HydrophobicContact CZ-CD2 4.05Å; F49-F93 HydrophobicContact CZ-CE1 4.32Å; F49-F93 AromaticContact CZ-CE2 3.55Å; F49-F93 HydrophobicContact CZ-CE2 3.55Å; F49-F93 AromaticContact CZ-CZ 3.71Å; F49-F93 HydrophobicContact CZ-CZ 3.71Å; P52-F93 HydrophobicContact CB-CD2 4.29Å; P52-F93 HydrophobicContact CB-CE2 4.06Å; P52-F93 HydrophobicContact CG-CD2 3.75Å; P52-F93 HydrophobicContact CG-CE2 4.05Å; L91-F93 HydrophobicContact CB-CD2 4.13Å; L91-F93 HydrophobicContact CB-CE2 3.96Å; L91-F93 HydrophobicContact CD1-CE2 3.84Å; L91-F93 HydrophobicContact CD1-CZ 4.45Å; F93-Y101 HydrophobicContact CB-CD1 3.56Å; F93-Y101 HydrophobicContact CB-CE1 3.61Å; F93-Y101 HydrophobicContact CD1-CD1 4.08Å; F93-Y101 HydrophobicContact CD1-CG 4.3Å; F93-Y101 HydrophobicContact CG-CD1 4.11Å; F93-Y101 HydrophobicContact CG-CE1 4.19Å; F93-V125 HydrophobicContact CD1-CB 4.18Å; F93-V125 HydrophobicContact CD1-CG1 3.95Å; F93-V125 HydrophobicContact CD1-CG2 4.29Å; F93-V125 HydrophobicContact CD2-CG2 3.96Å; F93-V125 HydrophobicContact CE1-CB 4.33Å; F93-V125 HydrophobicContact CE1-CG1 3.71Å; F93-V125 HydrophobicContact CE1-CG2 4.29Å; F93-V125 HydrophobicContact CE2-CG2 3.97Å; F93-V125 HydrophobicContact CG-CB 4.37Å; F93-V125 HydrophobicContact CG-CG2 4.14Å; F93-V125 HydrophobicContact CZ-CG1 4.15Å; F93-V125 HydrophobicContact CZ-CG2 4.13Å; F93-L158 HydrophobicContact CZ-CD1 4.16Å
94	A	93	Very high	92.4	Very high	28 Å²	28	68.4 Å²	68.4	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	138	172.8	0	0	0	0	0	111.5	Y101 H102 P104	A94-Y101 WeakPolarHBondContact O-CA 3.3Å; A94-H102 VanDerWaalsContact CB-CE1 3.46Å; A94-H102 WeakPolarHBondContact CB-CE1 3.35Å; A94-H102 PolarHBondContact O-N 2.89Å; A94-H102 PolarHBondContact O-ND1 3.35Å; A94-H102 VanDerWaalsContact O-ND1 3.11Å; A94-P104 HydrophobicContact CB-CB 3.86Å; A94-P104 HydrophobicContact CB-CG 4.17Å
95	K	93.5	Very high	92.6	Very high	124 Å²	124	63.8 Å²	63.8	54%	0.539	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138	174.9	-70.2	-178	179.8	179.8	0	110.7	K100 Y101 H102	K95-K100 CarbonylContact C-O 3.57Å; K95-K100 WeakPolarHBondContact CA-O 3.37Å; K95-Y101 HydrophobicContact CD-CD1 4.43Å; K95-Y101 HydrophobicContact CD-CE1 4.06Å; K95-Y101 WeakPolarHBondContact CE-OH 3.28Å; K95-Y101 HydrophobicContact CG-CD1 3.67Å; K95-Y101 HydrophobicContact CG-CE1 3.76Å; K95-Y101 PolarHBondContact NZ-OH 3.35Å; K95-H102 VanDerWaalsContact C-ND1 3.32Å; K95-H102 PolarHBondContact O-CE1 3.28Å
96	N	92.9	Very high	92.8	Very high	50 Å²	50	63.6 Å²	63.6	27%	0.267	33%	0.328	S	S	.	.			trans	-75.8	171.7	171.2	-86	-21.7	0	0	0	110.8	D98 G99 K100 H102	N96-D98 PolarHBondContact O-N 3.42Å; N96-D98 VanDerWaalsContact O-N 3.13Å; N96-G99 WeakPolarHBondContact O-CA 3.41Å; N96-G99 PolarHBondContact O-N 2.92Å; N96-K100 PolarHBondContact N-O 2.99Å; N96-H102 PolarHBondContact N-ND1 3.17Å; N96-H102 PolarHBondContact OD1-CD2 2.88Å; N96-H102 VanDerWaalsContact OD1-CD2 3.26Å; N96-H102 PolarHBondContact OD1-CE1 2.9Å; N96-H102 VanDerWaalsContact OD1-CE1 3.27Å; N96-H102 VanDerWaalsContact OD1-CG 3.26Å; N96-H102 PolarHBondContact OD1-ND1 2.87Å; N96-H102 PolarHBondContact OD1-NE2 3.34Å
97	N	92.6	Very high	93	Very high	176 Å²	176	62 Å²	62	94%	0.941	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.7	174.8	-63.4	-5.8	0	0	0	113.1	G99	N97-G99 PolarHBondContact O-N 3.49Å
98	D	90.2	Very high	93.1	Very high	118 Å²	118	64.2 Å²	64.2	63%	0.631	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.2	172.8	-72.3	5.8	0	0	0	114.6	N96 K100	N96-D98 PolarHBondContact O-N 3.42Å; N96-D98 VanDerWaalsContact O-N 3.13Å; D98-K100 HydrophobicContact CB-CD 4.08Å; D98-K100 HydrophobicContact CB-CG 4.12Å; D98-K100 PolarHBondContact O-N 3.34Å; D98-K100 IonicContact OD2-NZ 2.61Å; D98-K100 PolarHBondContact OD2-NZ 2.73Å
99	G	90.1	Very high	93.2	Very high	43 Å²	43	66.1 Å²	66.1	44%	0.443	34%	0.339	S	S	.	.	S	Bend	trans	75	-2.8	-172.8	0	0	0	0	0	115.5	N96 N97	N96-G99 WeakPolarHBondContact O-CA 3.41Å; N96-G99 PolarHBondContact O-N 2.92Å; N97-G99 PolarHBondContact O-N 3.49Å
100	K	92.3	Very high	93.2	Very high	109 Å²	109	65.7 Å²	65.7	47%	0.474	34%	0.336	S	S	.	.			trans	-77.7	140.9	-178.9	-61.8	170	-169.4	144	0	112	K95 N96 D98 V109	K95-K100 CarbonylContact C-O 3.57Å; K95-K100 WeakPolarHBondContact CA-O 3.37Å; N96-K100 PolarHBondContact N-O 2.99Å; D98-K100 HydrophobicContact CB-CD 4.08Å; D98-K100 HydrophobicContact CB-CG 4.12Å; D98-K100 PolarHBondContact O-N 3.34Å; D98-K100 IonicContact OD2-NZ 2.61Å; D98-K100 PolarHBondContact OD2-NZ 2.73Å; K100-V109 HydrophobicContact CB-CG1 4.09Å; K100-V109 HydrophobicContact CD-CG1 4.34Å
101	Y	94.8	Very high	93.1	Very high	34 Å²	34	62.2 Å²	62.2	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.7	174	-64.6	-61.6	0	0	0	112.1	F39 D40 F49 F93 A94 K95 F110	F39-Y101 HydrophobicContact CE2-CD2 4.08Å; F39-Y101 HydrophobicContact CE2-CG 4.45Å; F39-Y101 HydrophobicContact CZ-CD2 4.35Å; D40-Y101 HydrophobicContact CB-CD2 4.17Å; D40-Y101 HydrophobicContact CB-CE2 3.98Å; F49-Y101 HydrophobicContact CE2-CE1 4.49Å; F49-Y101 HydrophobicContact CE2-CE2 4.12Å; F49-Y101 AromaticContact CE2-CZ 3.81Å; F49-Y101 HydrophobicContact CZ-CE2 4.47Å; F93-Y101 HydrophobicContact CB-CD1 3.56Å; F93-Y101 HydrophobicContact CB-CE1 3.61Å; F93-Y101 HydrophobicContact CD1-CD1 4.08Å; F93-Y101 HydrophobicContact CD1-CG 4.3Å; F93-Y101 HydrophobicContact CG-CD1 4.11Å; F93-Y101 HydrophobicContact CG-CE1 4.19Å; A94-Y101 WeakPolarHBondContact O-CA 3.3Å; K95-Y101 HydrophobicContact CD-CD1 4.43Å; K95-Y101 HydrophobicContact CD-CE1 4.06Å; K95-Y101 WeakPolarHBondContact CE-OH 3.28Å; K95-Y101 HydrophobicContact CG-CD1 3.67Å; K95-Y101 HydrophobicContact CG-CE1 3.76Å; K95-Y101 PolarHBondContact NZ-OH 3.35Å; Y101-F110 PolarHBondContact O-N 3.39Å
102	H	94.4	Very high	92.7	Very high	13 Å²	13	65.6 Å²	65.6	6%	0.06	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.6	-177.7	73.6	-68	0	0	0	111.9	A94 K95 N96 N108 F110	A94-H102 VanDerWaalsContact CB-CE1 3.46Å; A94-H102 WeakPolarHBondContact CB-CE1 3.35Å; A94-H102 PolarHBondContact O-N 2.89Å; A94-H102 PolarHBondContact O-ND1 3.35Å; A94-H102 VanDerWaalsContact O-ND1 3.11Å; K95-H102 VanDerWaalsContact C-ND1 3.32Å; K95-H102 PolarHBondContact O-CE1 3.28Å; N96-H102 PolarHBondContact N-ND1 3.17Å; N96-H102 PolarHBondContact OD1-CD2 2.88Å; N96-H102 VanDerWaalsContact OD1-CD2 3.26Å; N96-H102 PolarHBondContact OD1-CE1 2.9Å; N96-H102 VanDerWaalsContact OD1-CE1 3.27Å; N96-H102 VanDerWaalsContact OD1-CG 3.26Å; N96-H102 PolarHBondContact OD1-ND1 2.87Å; N96-H102 PolarHBondContact OD1-NE2 3.34Å; H102-N108 WeakPolarHBondContact CA-O 3.41Å; H102-F110 WeakPolarHBondContact O-CE2 3.38Å
103	C	94.6	Very high	92.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.357	C	S	.	.			trans	-75.7	122.5	168.7	177.1	0	0	0	0	109.5	V105 Y107 N108 F110 S127	C103-V105 PolarHBondContact O-N 3.42Å; C103-V105 VanDerWaalsContact O-N 3.11Å; C103-Y107 WeakPolarHBondContact O-CA 3.32Å; C103-Y107 PolarHBondContact O-N 3.07Å; C103-N108 PolarHBondContact N-O 3.34Å; C103-F110 HydrophobicContact CB-CE1 4.06Å; C103-F110 HydrophobicContact CB-CZ 3.83Å; C103-S127 PolarHBondContact SG-N 2.88Å; C103-S127 VanDerWaalsContact SG-N 3.43Å
104	P	93.9	Very high	92.3	Very high	20 Å²	20	67.5 Å²	67.5	13%	0.13	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.6	-174.5	28	-34.5	0	0	0	114.6	A94 V125 F126 L145	A94-P104 HydrophobicContact CB-CB 3.86Å; A94-P104 HydrophobicContact CB-CG 4.17Å; P104-V125 WeakPolarHBondContact CD-O 3.4Å; P104-F126 HydrophobicContact CG-CD1 4.1Å; P104-F126 HydrophobicContact CG-CE1 3.93Å; P104-L145 HydrophobicContact CB-CD1 4.3Å; P104-L145 HydrophobicContact CB-CD2 4.18Å; P104-L145 HydrophobicContact CG-CD1 3.83Å; P104-L145 HydrophobicContact CG-CD2 4.26Å; P104-L145 HydrophobicContact CG-CG 4.38Å
105	V	92.5	Very high	92.3	Very high	40 Å²	40	68.6 Å²	68.6	24%	0.242	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-47.6	-178	-177.3	0	0	0	0	111.5	C103 F126 A130 L134 L144	C103-V105 PolarHBondContact O-N 3.42Å; C103-V105 VanDerWaalsContact O-N 3.11Å; V105-F126 HydrophobicContact CG2-CD1 3.87Å; V105-F126 HydrophobicContact CG2-CE1 3.79Å; V105-A130 HydrophobicContact CB-CB 4.48Å; V105-L134 HydrophobicContact CG1-CD1 3.64Å; V105-L144 HydrophobicContact CG2-CB 3.7Å; V105-L144 HydrophobicContact CG2-CD1 4.07Å; V105-L144 HydrophobicContact CG2-CG 4.48Å
106	L	92.4	Very high	92.4	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.267	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.1	179.2	-63.5	-176.7	0	0	0	113.4	N108 E129 A130	L106-N108 PolarHBondContact O-N 2.82Å; L106-E129 HydrophobicContact CD1-CB 4.13Å; L106-E129 HydrophobicContact CD1-CG 3.94Å; L106-A130 HydrophobicContact CD1-CB 3.91Å; L106-A130 HydrophobicContact CG-CB 3.93Å
107	Y	90.8	Very high	92.5	Very high	159 Å²	159	60.4 Å²	60.4	62%	0.624	32%	0.321	S	S	*	.			trans	57.1	-2.1	-175.5	-59.8	-79.9	0	0	0	116.9	C103 V109	C103-Y107 WeakPolarHBondContact O-CA 3.32Å; C103-Y107 PolarHBondContact O-N 3.07Å; Y107-V109 PolarHBondContact O-N 2.91Å
108	N	91.5	Very high	92.7	Very high	92 Å²	92	52.1 Å²	52.1	49%	0.492	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-60.3	127.1	174.8	-71.7	-25.4	0	0	0	111.6	H102 C103 L106	H102-N108 WeakPolarHBondContact CA-O 3.41Å; C103-N108 PolarHBondContact N-O 3.34Å; L106-N108 PolarHBondContact O-N 2.82Å
109	V	94.9	Very high	92.9	Very high	65 Å²	65	46.7 Å²	46.7	39%	0.394	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-69.7	135.9	176.8	177.5	0	0	0	0	110	K100 Y107	K100-V109 HydrophobicContact CB-CG1 4.09Å; K100-V109 HydrophobicContact CD-CG1 4.34Å; Y107-V109 PolarHBondContact O-N 2.91Å
110	F	94.6	Very high	93.1	Very high	12 Å²	12	48 Å²	48	5%	0.053	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-75.4	143.2	177.1	-67.3	-53.2	0	0	0	111.7	F39 Y101 H102 C103 I116 V125	F39-F110 HydrophobicContact CD2-CB 4.43Å; F39-F110 HydrophobicContact CE1-CB 4.25Å; F39-F110 HydrophobicContact CE2-CB 3.65Å; F39-F110 HydrophobicContact CZ-CB 3.54Å; Y101-F110 PolarHBondContact O-N 3.39Å; H102-F110 WeakPolarHBondContact O-CE2 3.38Å; C103-F110 HydrophobicContact CB-CE1 4.06Å; C103-F110 HydrophobicContact CB-CZ 3.83Å; F110-I116 HydrophobicContact CB-CD1 3.86Å; F110-I116 HydrophobicContact CD1-CD1 3.64Å; F110-I116 HydrophobicContact CD1-CG1 3.72Å; F110-I116 HydrophobicContact CD2-CD1 4.31Å; F110-I116 HydrophobicContact CE1-CD1 4.21Å; F110-I116 HydrophobicContact CE1-CG1 3.94Å; F110-I116 HydrophobicContact CE1-CG2 4.23Å; F110-I116 HydrophobicContact CG-CD1 3.7Å; F110-I116 HydrophobicContact CG-CG1 4.31Å; F110-I116 HydrophobicContact CZ-CG2 4.23Å; F110-V125 HydrophobicContact CE2-CG1 4.2Å; F110-V125 HydrophobicContact CZ-CG1 4.25Å
111	T	91.8	Very high	93	Very high	71 Å²	71	46.3 Å²	46.3	44%	0.436	24%	0.24	S	C	.	.			trans	-132.8	167	-178.7	72.3	0	0	0	0	110.4	N113 S114 Q159	T111-N113 PolarHBondContact O-N 2.98Å; T111-N113 PolarHBondContact OG1-N 3.39Å; T111-S114 PolarHBondContact N-OG 3.19Å; T111-S114 WeakPolarHBondContact O-CB 3.37Å; T111-S114 PolarHBondContact O-N 3.09Å; T111-S114 PolarHBondContact OG1-N 3.22Å; T111-S114 PolarHBondContact OG1-OG 3.29Å; T111-Q159 PolarHBondContact O-NE2 3.48Å
112	N	88.2	Confident	93	Very high	76 Å²	76	45.7 Å²	45.7	41%	0.406	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-7.7	173.1	-72.8	-30.3	0	0	0	114.6	R36 P38 F39 Q159	R36-N112 PolarHBondContact NH1-O 3Å; R36-N112 PolarHBondContact NH2-O 3.01Å; P38-N112 WeakPolarHBondContact CA-OD1 3.34Å; F39-N112 WeakPolarHBondContact CD1-OD1 3.5Å; F39-N112 PolarHBondContact N-OD1 3.16Å; N112-Q159 PolarHBondContact O-NE2 3.16Å
113	N	88.1	Confident	92.9	Very high	111 Å²	111	45.2 Å²	45.2	59%	0.594	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.2	8.1	173.5	-67	-19.9	0	0	0	113.5	R36 T111	R36-N113 PolarHBondContact NH1-OD1 2.93Å; T111-N113 PolarHBondContact O-N 2.98Å; T111-N113 PolarHBondContact OG1-N 3.39Å
114	S	91.8	Very high	92.9	Very high	25 Å²	25	45.9 Å²	45.9	18%	0.175	24%	0.242	C	C	.	.			trans	-72.5	147.1	176.6	-64.9	0	0	0	0	111.2	T111 Q159	T111-S114 PolarHBondContact N-OG 3.19Å; T111-S114 WeakPolarHBondContact O-CB 3.37Å; T111-S114 PolarHBondContact O-N 3.09Å; T111-S114 PolarHBondContact OG1-N 3.22Å; T111-S114 PolarHBondContact OG1-OG 3.29Å; S114-Q159 WeakPolarHBondContact O-CG 3.34Å; S114-Q159 PolarHBondContact O-OE1 3.41Å
115	H	93.4	Very high	93	Very high	51 Å²	51	45 Å²	45	24%	0.236	24%	0.236	C	C	.	.			trans	-89.8	109.1	172	-161.2	168.3	0	0	0	108.3	Y128 M157 Q159 P161	H115-Y128 AromaticContact CE1-CD1 3.82Å; H115-Y128 AromaticContact CE1-CD2 3.96Å; H115-Y128 AromaticContact CE1-CG 3.65Å; H115-Y128 VanDerWaalsContact CG-CB 3.42Å; H115-Y128 AromaticContact CG-CG 3.89Å; H115-Y128 AromaticContact ND1-CD1 3.63Å; H115-Y128 AromaticContact ND1-CG 3.59Å; H115-Y128 AromaticContact NE2-CG 3.96Å; H115-Y128 PolarHBondContact O-N 2.79Å; H115-M157 WeakPolarHBondContact NE2-CE 3.07Å; H115-Q159 WeakPolarHBondContact CA-O 3.42Å; H115-Q159 PolarHBondContact CD2-O 3.28Å; H115-P161 HydrophobicContact CB-CG 4.37Å
116	I	95.2	Very high	93.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.6	-170	-49.8	-173.3	0	0	0	110.4	F39 F110 V125 L158 Q159	F39-I116 HydrophobicContact CB-CD1 4.4Å; F39-I116 HydrophobicContact CD2-CD1 3.71Å; F39-I116 HydrophobicContact CE2-CD1 4.22Å; F39-I116 HydrophobicContact CG-CD1 4.09Å; F110-I116 HydrophobicContact CB-CD1 3.86Å; F110-I116 HydrophobicContact CD1-CD1 3.64Å; F110-I116 HydrophobicContact CD1-CG1 3.72Å; F110-I116 HydrophobicContact CD2-CD1 4.31Å; F110-I116 HydrophobicContact CE1-CD1 4.21Å; F110-I116 HydrophobicContact CE1-CG1 3.94Å; F110-I116 HydrophobicContact CE1-CG2 4.23Å; F110-I116 HydrophobicContact CG-CD1 3.7Å; F110-I116 HydrophobicContact CG-CG1 4.31Å; F110-I116 HydrophobicContact CZ-CG2 4.23Å; I116-V125 HydrophobicContact CG2-CG1 3.39Å; I116-L158 HydrophobicContact CB-CB 4.41Å; I116-L158 HydrophobicContact CG2-CB 4.29Å; I116-L158 HydrophobicContact CG2-CD1 4.24Å; I116-L158 PolarHBondContact O-N 3.16Å; I116-Q159 HydrophobicContact CB-CB 4.09Å; I116-Q159 HydrophobicContact CG1-CB 4.25Å; I116-Q159 PolarHBondContact N-O 2.99Å; I116-Q159 PolarHBondContact O-N 3Å; I116-Q159 VanDerWaalsContact O-N 3.11Å
117	V	94.9	Very high	93.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.5	177.6	-63.5	0	0	0	0	112	V125 F126 Y128 V131 I155 I156 M157	V117-V125 WeakPolarHBondContact O-CA 3.27Å; V117-F126 HydrophobicContact CG2-CB 4.25Å; V117-F126 PolarHBondContact N-O 3.48Å; V117-F126 PolarHBondContact O-N 3.25Å; V117-F126 VanDerWaalsContact O-O 3.13Å; V117-Y128 HydrophobicContact CG1-CD2 3.81Å; V117-V131 HydrophobicContact CG2-CB 4.26Å; V117-V131 HydrophobicContact CG2-CG2 3.66Å; V117-I155 HydrophobicContact CB-CG2 4.1Å; V117-I155 HydrophobicContact CG1-CG2 4.16Å; V117-I156 CarbonylContact C-O 3.52Å; V117-I156 VanDerWaalsContact CA-O 3.26Å; V117-I156 WeakPolarHBondContact CA-O 3.21Å; V117-M157 HydrophobicContact CG1-CE 3.45Å; V117-M157 VanDerWaalsContact CG1-CE 3.45Å; V117-M157 HydrophobicContact CG1-SD 3.47Å; V117-M157 WeakPolarHBondContact CG1-SD 3.35Å
118	A	95.8	Very high	93.5	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.4	170.5	0	0	0	0	0	111.1	L91 N124 V125 I156 L158	L91-A118 HydrophobicContact CD2-CB 3.47Å; L91-A118 VanDerWaalsContact CD2-CB 3.47Å; A118-N124 WeakPolarHBondContact CA-O 3.41Å; A118-V125 HydrophobicContact CB-CG2 4.27Å; A118-I156 PolarHBondContact N-O 3.31Å; A118-I156 PolarHBondContact O-N 3.14Å; A118-L158 HydrophobicContact CB-CD1 3.91Å; A118-L158 HydrophobicContact CB-CD2 4.32Å; A118-L158 HydrophobicContact CB-CG 4.02Å
119	N	94.8	Very high	93.7	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.5	165.8	178.7	3.9	0	0	0	109.3	V121 T122 G123 N124 D143 F150	N119-V121 VanDerWaalsContact C-N 3.26Å; N119-V121 PolarHBondContact O-N 3.27Å; N119-V121 PolarHBondContact OD1-N 3.05Å; N119-T122 WeakPolarHBondContact CB-OG1 3.12Å; N119-T122 PolarHBondContact ND2-OG1 2.73Å; N119-G123 VanDerWaalsContact O-CA 3.25Å; N119-G123 WeakPolarHBondContact O-CA 3.36Å; N119-G123 PolarHBondContact O-N 2.78Å; N119-N124 PolarHBondContact N-O 2.88Å; N119-D143 PolarHBondContact ND2-OD2 2.64Å; N119-F150 WeakPolarHBondContact ND2-CD1 3.38Å
120	K	93.4	Very high	93.6	Very high	70 Å²	70	33.7 Å²	33.7	30%	0.304	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.4	178.5	174.7	171.6	-174.8	-179.8	0	113.4	E56 I89 D154 I156	E56-K120 WeakPolarHBondContact OE1-CE 3.4Å; E56-K120 IonicContact OE1-NZ 2.64Å; E56-K120 PolarHBondContact OE1-NZ 2.88Å; I89-K120 HydrophobicContact CD1-CB 4.37Å; I89-K120 HydrophobicContact CD1-CD 4.23Å; I89-K120 HydrophobicContact CD1-CG 3.73Å; I89-K120 HydrophobicContact CG1-CG 4.39Å; K120-D154 HydrophobicContact CB-CB 3.94Å; K120-D154 VanDerWaalsContact CB-O 3.24Å; K120-D154 WeakPolarHBondContact CB-O 3.45Å; K120-D154 PolarHBondContact N-O 3.31Å; K120-I156 HydrophobicContact CB-CD1 3.79Å; K120-I156 HydrophobicContact CB-CG1 4.24Å; K120-I156 HydrophobicContact CD-CD1 4.43Å; K120-I156 HydrophobicContact CG-CD1 4.21Å
121	V	92.2	Very high	93.5	Very high	73 Å²	73	33.4 Å²	33.4	44%	0.442	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-51	-175.6	-177.4	0	0	0	0	110.9	N119 F150 D154	N119-V121 VanDerWaalsContact C-N 3.26Å; N119-V121 PolarHBondContact O-N 3.27Å; N119-V121 PolarHBondContact OD1-N 3.05Å; V121-F150 HydrophobicContact CG2-CB 3.81Å; V121-D154 HydrophobicContact CG2-CB 4.35Å
122	T	93	Very high	93.6	Very high	22 Å²	22	32.8 Å²	32.8	14%	0.135	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-21.2	-173.2	59.2	0	0	0	0	113.9	N92 N119 N124 D143 T146 E148	N92-T122 PolarHBondContact ND2-O 3.2Å; N119-T122 WeakPolarHBondContact CB-OG1 3.12Å; N119-T122 PolarHBondContact ND2-OG1 2.73Å; T122-N124 PolarHBondContact O-N 2.86Å; T122-N124 WeakPolarHBondContact OG1-CB 3.37Å; T122-N124 PolarHBondContact OG1-N 3.43Å; T122-D143 WeakPolarHBondContact CB-OD2 3.33Å; T122-D143 HydrophobicContact CG2-CB 3.9Å; T122-D143 WeakPolarHBondContact CG2-OD2 3.22Å; T122-D143 PolarHBondContact OG1-OD2 2.84Å; T122-T146 WeakPolarHBondContact CG2-OG1 3.44Å; T122-E148 HydrophobicContact CG2-CB 4.01Å; T122-E148 HydrophobicContact CG2-CG 4.4Å; T122-E148 WeakPolarHBondContact CG2-OE2 3.29Å
123	G	92.7	Very high	93.8	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	17%	0.168	C	C	.	.			trans	77.5	-0.8	-169.1	0	0	0	0	0	114.6	K90 L91 N92 N119	K90-G123 WeakPolarHBondContact O-CA 3.28Å; L91-G123 CarbonylContact C-O 3.45Å; L91-G123 WeakPolarHBondContact CA-O 3.35Å; N92-G123 PolarHBondContact N-O 2.83Å; N119-G123 VanDerWaalsContact O-CA 3.25Å; N119-G123 WeakPolarHBondContact O-CA 3.36Å; N119-G123 PolarHBondContact O-N 2.78Å
124	N	95.3	Very high	93.9	Very high	14 Å²	14	31.4 Å²	31.4	8%	0.075	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-70.4	135.3	-173.8	-66.4	-20	0	0	0	111.8	N92 A118 N119 T122 F126 D143	N92-N124 PolarHBondContact ND2-OD1 2.84Å; N92-N124 VanDerWaalsContact ND2-OD1 3.14Å; A118-N124 WeakPolarHBondContact CA-O 3.41Å; N119-N124 PolarHBondContact N-O 2.88Å; T122-N124 PolarHBondContact O-N 2.86Å; T122-N124 WeakPolarHBondContact OG1-CB 3.37Å; T122-N124 PolarHBondContact OG1-N 3.43Å; N124-F126 HydrophobicContact CB-CE2 3.56Å; N124-F126 HydrophobicContact CB-CZ 3.62Å; N124-D143 PolarHBondContact ND2-OD1 3.3Å; N124-D143 PolarHBondContact ND2-OD2 3.37Å
125	V	96.1	Very high	93.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.8	-176.3	-176.1	0	0	0	0	111.7	L91 N92 F93 P104 F110 I116 V117 A118 L158	L91-V125 HydrophobicContact CB-CG2 4.16Å; L91-V125 HydrophobicContact CD2-CG2 4.07Å; N92-V125 PolarHBondContact O-N 3.09Å; F93-V125 HydrophobicContact CD1-CB 4.18Å; F93-V125 HydrophobicContact CD1-CG1 3.95Å; F93-V125 HydrophobicContact CD1-CG2 4.29Å; F93-V125 HydrophobicContact CD2-CG2 3.96Å; F93-V125 HydrophobicContact CE1-CB 4.33Å; F93-V125 HydrophobicContact CE1-CG1 3.71Å; F93-V125 HydrophobicContact CE1-CG2 4.29Å; F93-V125 HydrophobicContact CE2-CG2 3.97Å; F93-V125 HydrophobicContact CG-CB 4.37Å; F93-V125 HydrophobicContact CG-CG2 4.14Å; F93-V125 HydrophobicContact CZ-CG1 4.15Å; F93-V125 HydrophobicContact CZ-CG2 4.13Å; P104-V125 WeakPolarHBondContact CD-O 3.4Å; F110-V125 HydrophobicContact CE2-CG1 4.2Å; F110-V125 HydrophobicContact CZ-CG1 4.25Å; I116-V125 HydrophobicContact CG2-CG1 3.39Å; V117-V125 WeakPolarHBondContact O-CA 3.27Å; A118-V125 HydrophobicContact CB-CG2 4.27Å; V125-L158 HydrophobicContact CG1-CD1 4.12Å; V125-L158 HydrophobicContact CG2-CD1 4.11Å
126	F	96.3	Very high	93.8	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	163.2	-176.3	-57.3	-73.7	0	0	0	111.6	P104 V105 V117 N124 V131 L144 L145	P104-F126 HydrophobicContact CG-CD1 4.1Å; P104-F126 HydrophobicContact CG-CE1 3.93Å; V105-F126 HydrophobicContact CG2-CD1 3.87Å; V105-F126 HydrophobicContact CG2-CE1 3.79Å; V117-F126 HydrophobicContact CG2-CB 4.25Å; V117-F126 PolarHBondContact N-O 3.48Å; V117-F126 PolarHBondContact O-N 3.25Å; V117-F126 VanDerWaalsContact O-O 3.13Å; N124-F126 HydrophobicContact CB-CE2 3.56Å; N124-F126 HydrophobicContact CB-CZ 3.62Å; F126-V131 HydrophobicContact CB-CG2 3.79Å; F126-V131 HydrophobicContact CD2-CG2 4.27Å; F126-V131 HydrophobicContact CG-CG2 4.25Å; F126-L144 HydrophobicContact CD1-CB 4.36Å; F126-L144 HydrophobicContact CD1-CD1 4.16Å; F126-L144 HydrophobicContact CE1-CB 3.74Å; F126-L144 HydrophobicContact CE1-CD1 4.37Å; F126-L144 HydrophobicContact CG-CD1 4.39Å; F126-L144 HydrophobicContact CZ-CB 3.88Å; F126-L145 HydrophobicContact CE1-CD1 4.14Å; F126-L145 HydrophobicContact CE1-CG 3.89Å; F126-L145 HydrophobicContact CZ-CD1 4.22Å; F126-L145 HydrophobicContact CZ-CG 4Å
127	S	95.6	Very high	93.7	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	146.1	161.6	61.2	0	0	0	0	109.4	C103 E129 A130 V131	C103-S127 PolarHBondContact SG-N 2.88Å; C103-S127 VanDerWaalsContact SG-N 3.43Å; S127-E129 PolarHBondContact O-N 3.13Å; S127-A130 PolarHBondContact O-N 3.05Å; S127-A130 PolarHBondContact OG-N 3.16Å; S127-V131 PolarHBondContact O-N 2.85Å
128	Y	94.7	Very high	93.5	Very high	63 Å²	63	39.5 Å²	39.5	25%	0.247	20%	0.198	C	C	.	.	H	α-helix	trans	-56.3	-39	175.1	-179.2	-99.2	0	0	0	111.5	H115 V117 A130 V131 E132 M157	H115-Y128 AromaticContact CE1-CD1 3.82Å; H115-Y128 AromaticContact CE1-CD2 3.96Å; H115-Y128 AromaticContact CE1-CG 3.65Å; H115-Y128 VanDerWaalsContact CG-CB 3.42Å; H115-Y128 AromaticContact CG-CG 3.89Å; H115-Y128 AromaticContact ND1-CD1 3.63Å; H115-Y128 AromaticContact ND1-CG 3.59Å; H115-Y128 AromaticContact NE2-CG 3.96Å; H115-Y128 PolarHBondContact O-N 2.79Å; V117-Y128 HydrophobicContact CG1-CD2 3.81Å; Y128-A130 VanDerWaalsContact C-N 3.34Å; Y128-A130 PolarHBondContact O-N 2.98Å; Y128-V131 PolarHBondContact O-N 3.4Å; Y128-E132 HydrophobicContact CD1-CB 4.26Å; Y128-E132 HydrophobicContact CE1-CB 3.99Å; Y128-E132 HydrophobicContact CE1-CG 4.03Å; Y128-E132 WeakPolarHBondContact CE1-OE2 3.27Å; Y128-E132 VanDerWaalsContact O-CB 3.31Å; Y128-E132 WeakPolarHBondContact O-CB 3.49Å; Y128-E132 PolarHBondContact O-N 2.98Å; Y128-M157 HydrophobicContact CD2-CE 3.74Å; Y128-M157 HydrophobicContact CD2-SD 4.45Å; Y128-M157 HydrophobicContact CE2-CE 4.07Å
129	E	94.3	Very high	93.2	Very high	90 Å²	90	47.5 Å²	47.5	42%	0.421	23%	0.232	S	C	.	.	H	α-helix	trans	-55.2	-44.4	177.1	-177.3	-179.7	-167.9	0	0	112.9	L106 S127 E132 Q133	L106-E129 HydrophobicContact CD1-CB 4.13Å; L106-E129 HydrophobicContact CD1-CG 3.94Å; S127-E129 PolarHBondContact O-N 3.13Å; E129-E132 PolarHBondContact O-N 2.87Å; E129-Q133 HydrophobicContact CG-CG 4.43Å; E129-Q133 WeakPolarHBondContact O-CB 3.48Å; E129-Q133 VanDerWaalsContact O-CG 3.31Å; E129-Q133 WeakPolarHBondContact O-CG 3.47Å; E129-Q133 PolarHBondContact O-N 3.29Å; E129-Q133 PolarHBondContact OE1-NE2 2.81Å
130	A	93.1	Very high	92.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-47.6	178.8	0	0	0	0	0	111	V105 L106 S127 Y128 L134 L144	V105-A130 HydrophobicContact CB-CB 4.48Å; L106-A130 HydrophobicContact CD1-CB 3.91Å; L106-A130 HydrophobicContact CG-CB 3.93Å; S127-A130 PolarHBondContact O-N 3.05Å; S127-A130 PolarHBondContact OG-N 3.16Å; Y128-A130 VanDerWaalsContact C-N 3.34Å; Y128-A130 PolarHBondContact O-N 2.98Å; A130-L134 VanDerWaalsContact O-CB 3.26Å; A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 WeakPolarHBondContact O-CG 3.42Å; A130-L134 PolarHBondContact O-N 2.96Å; A130-L144 HydrophobicContact CB-CD1 4.1Å
131	V	93	Very high	92.7	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.03	25%	0.246	C	C	.	.	H	α-helix	trans	-68.8	-36.8	179.4	-178.4	0	0	0	0	111.4	V117 F126 S127 Y128 N135 I136 L144 I155	V117-V131 HydrophobicContact CG2-CB 4.26Å; V117-V131 HydrophobicContact CG2-CG2 3.66Å; F126-V131 HydrophobicContact CB-CG2 3.79Å; F126-V131 HydrophobicContact CD2-CG2 4.27Å; F126-V131 HydrophobicContact CG-CG2 4.25Å; S127-V131 PolarHBondContact O-N 2.85Å; Y128-V131 PolarHBondContact O-N 3.4Å; V131-N135 HydrophobicContact CG1-CB 4.27Å; V131-N135 WeakPolarHBondContact O-CA 3.39Å; V131-N135 WeakPolarHBondContact O-CB 3.47Å; V131-N135 PolarHBondContact O-N 3.5Å; V131-I136 HydrophobicContact CG1-CG1 4.43Å; V131-I136 PolarHBondContact O-N 2.87Å; V131-L144 HydrophobicContact CG2-CD1 4.31Å; V131-I155 HydrophobicContact CG1-CD1 3.92Å
132	E	93.6	Very high	92.7	Very high	59 Å²	59	50.8 Å²	50.8	28%	0.276	25%	0.246	S	C	.	.	I	π-helix	trans	-64.9	-47.4	177.6	-164.7	-159.4	146.7	0	0	111.5	Y128 E129 K137	Y128-E132 HydrophobicContact CD1-CB 4.26Å; Y128-E132 HydrophobicContact CE1-CB 3.99Å; Y128-E132 HydrophobicContact CE1-CG 4.03Å; Y128-E132 WeakPolarHBondContact CE1-OE2 3.27Å; Y128-E132 VanDerWaalsContact O-CB 3.31Å; Y128-E132 WeakPolarHBondContact O-CB 3.49Å; Y128-E132 PolarHBondContact O-N 2.98Å; E129-E132 PolarHBondContact O-N 2.87Å; E132-K137 WeakPolarHBondContact O-CB 3.47Å; E132-K137 WeakPolarHBondContact O-CG 3.39Å; E132-K137 PolarHBondContact O-N 3.14Å; E132-K137 WeakPolarHBondContact OE1-CE 3.49Å; E132-K137 IonicContact OE1-NZ 3.61Å; E132-K137 PolarHBondContact OE1-NZ 2.9Å
133	Q	92.6	Very high	92.7	Very high	83 Å²	83	49.9 Å²	49.9	39%	0.388	24%	0.24	S	C	.	.	I	π-helix	trans	-71.3	-49.8	-179.3	-68.1	179.5	17.8	0	0	112.2	E129	E129-Q133 HydrophobicContact CG-CG 4.43Å; E129-Q133 WeakPolarHBondContact O-CB 3.48Å; E129-Q133 VanDerWaalsContact O-CG 3.31Å; E129-Q133 WeakPolarHBondContact O-CG 3.47Å; E129-Q133 PolarHBondContact O-N 3.29Å; E129-Q133 PolarHBondContact OE1-NE2 2.81Å
134	L	90.5	Very high	92.5	Very high	74 Å²	74	51.9 Å²	51.9	39%	0.387	25%	0.25	S	C	.	.	I	π-helix	trans	-90.7	-22.3	-167.8	-60.7	174.2	0	0	0	114.1	V105 A130 T138 L144	V105-L134 HydrophobicContact CG1-CD1 3.64Å; A130-L134 VanDerWaalsContact O-CB 3.26Å; A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 WeakPolarHBondContact O-CG 3.42Å; A130-L134 PolarHBondContact O-N 2.96Å; L134-T138 VanDerWaalsContact C-OG1 3.23Å; L134-T138 WeakPolarHBondContact O-CG2 3.46Å; L134-T138 PolarHBondContact O-OG1 2.9Å; L134-L144 HydrophobicContact CB-CD2 3.7Å; L134-L144 HydrophobicContact CD1-CD1 4.27Å; L134-L144 HydrophobicContact CD1-CD2 3.86Å; L134-L144 HydrophobicContact CG-CD2 4.45Å
135	N	91.7	Very high	92.4	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	27%	0.27	C	S	.	.	I	π-helix	trans	-118.4	-48.2	-178	-66.3	19.2	0	0	0	113.4	V131 T138 K139 S140 K142 L144 F150	V131-N135 HydrophobicContact CG1-CB 4.27Å; V131-N135 WeakPolarHBondContact O-CA 3.39Å; V131-N135 WeakPolarHBondContact O-CB 3.47Å; V131-N135 PolarHBondContact O-N 3.5Å; N135-T138 WeakPolarHBondContact CA-OG1 3.45Å; N135-T138 PolarHBondContact O-OG1 3.42Å; N135-K139 CarbonylContact O-C 3.27Å; N135-K139 VanDerWaalsContact O-CA 3.22Å; N135-K139 WeakPolarHBondContact O-CA 3.47Å; N135-K139 PolarHBondContact O-N 3.35Å; N135-S140 VanDerWaalsContact CA-O 3.26Å; N135-S140 WeakPolarHBondContact CA-O 3.33Å; N135-S140 WeakPolarHBondContact CB-O 3.45Å; N135-S140 PolarHBondContact O-N 3.25Å; N135-S140 VanDerWaalsContact O-N 3.08Å; N135-S140 PolarHBondContact OD1-O 2.98Å; N135-K142 PolarHBondContact ND2-O 2.81Å; N135-L144 WeakPolarHBondContact OD1-CD2 3.5Å; N135-F150 WeakPolarHBondContact ND2-CE1 3.47Å; N135-F150 WeakPolarHBondContact ND2-CZ 3.26Å
136	I	92.1	Very high	92.1	Very high	34 Å²	34	58.9 Å²	58.9	17%	0.174	29%	0.289	C	S	.	.	I	π-helix	trans	-73.5	-49	-174.7	-58	178.4	0	0	0	111	V131 K139 I155	V131-I136 HydrophobicContact CG1-CG1 4.43Å; V131-I136 PolarHBondContact O-N 2.87Å; I136-K139 PolarHBondContact O-N 3.49Å; I136-I155 HydrophobicContact CD1-CD1 4.33Å; I136-I155 HydrophobicContact CG1-CD1 4.44Å
137	K	92.4	Very high	91.8	Very high	129 Å²	129	63.8 Å²	63.8	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-39	-178.9	-75.3	171.1	-175.6	158.6	0	112.9	E132 K139	E132-K137 WeakPolarHBondContact O-CB 3.47Å; E132-K137 WeakPolarHBondContact O-CG 3.39Å; E132-K137 PolarHBondContact O-N 3.14Å; E132-K137 WeakPolarHBondContact OE1-CE 3.49Å; E132-K137 IonicContact OE1-NZ 3.61Å; E132-K137 PolarHBondContact OE1-NZ 2.9Å; K137-K139 VanDerWaalsContact C-N 3.32Å
138	T	89.8	Confident	91.7	Very high	81 Å²	81	67.3 Å²	67.3	50%	0.497	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.1	175.6	59.3	0	0	0	0	113.5	L134 N135 S140	L134-T138 VanDerWaalsContact C-OG1 3.23Å; L134-T138 WeakPolarHBondContact O-CG2 3.46Å; L134-T138 PolarHBondContact O-OG1 2.9Å; N135-T138 WeakPolarHBondContact CA-OG1 3.45Å; N135-T138 PolarHBondContact O-OG1 3.42Å; T138-S140 PolarHBondContact O-N 3.42Å; T138-S140 PolarHBondContact OG1-N 2.67Å; T138-S140 VanDerWaalsContact OG1-N 3.17Å
139	K	89.9	Confident	91.6	Very high	170 Å²	170	69.3 Å²	69.3	74%	0.739	35%	0.352	S	S	*	.			trans	61.9	20.4	-168.2	-52.8	174.3	-177.7	172.6	0	114.1	N135 I136 K137 Y141	N135-K139 CarbonylContact O-C 3.27Å; N135-K139 VanDerWaalsContact O-CA 3.22Å; N135-K139 WeakPolarHBondContact O-CA 3.47Å; N135-K139 PolarHBondContact O-N 3.35Å; I136-K139 PolarHBondContact O-N 3.49Å; K137-K139 VanDerWaalsContact C-N 3.32Å; K139-Y141 WeakPolarHBondContact O-CD2 3.49Å
140	S	88.3	Confident	91.6	Very high	55 Å²	55	66 Å²	66	39%	0.385	34%	0.336	S	S	.	.			trans	-93.8	92.7	177.3	-176.3	0	0	0	0	111	N135 T138 K142	N135-S140 VanDerWaalsContact CA-O 3.26Å; N135-S140 WeakPolarHBondContact CA-O 3.33Å; N135-S140 WeakPolarHBondContact CB-O 3.45Å; N135-S140 PolarHBondContact O-N 3.25Å; N135-S140 VanDerWaalsContact O-N 3.08Å; N135-S140 PolarHBondContact OD1-O 2.98Å; T138-S140 PolarHBondContact O-N 3.42Å; T138-S140 PolarHBondContact OG1-N 2.67Å; T138-S140 VanDerWaalsContact OG1-N 3.17Å; S140-K142 PolarHBondContact O-N 3.21Å; S140-K142 VanDerWaalsContact O-N 3.11Å
141	Y	90	Very high	91.6	Very high	64 Å²	64	69.5 Å²	69.5	25%	0.251	36%	0.357	S	S	.	.			trans	-88.2	72.6	-179	-60.6	-89.3	0	0	0	112	K139 F150 R152	K139-Y141 WeakPolarHBondContact O-CD2 3.49Å; Y141-F150 WeakPolarHBondContact CB-O 3.42Å; Y141-F150 HydrophobicContact CD1-CE2 4.2Å; Y141-F150 PolarHBondContact O-N 2.76Å; Y141-R152 HydrophobicContact CD1-CB 4.42Å; Y141-R152 HydrophobicContact CE1-CB 3.73Å; Y141-R152 HydrophobicContact CE1-CG 4.17Å
142	K	92	Very high	91.5	Very high	98 Å²	98	77.2 Å²	77.2	43%	0.426	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-126.5	146.9	172.8	-66.3	-173.1	176.5	-170.7	0	110.8	N135 S140 L144 D147 E148 F150	N135-K142 PolarHBondContact ND2-O 2.81Å; S140-K142 PolarHBondContact O-N 3.21Å; S140-K142 VanDerWaalsContact O-N 3.11Å; K142-L144 PolarHBondContact O-N 3.1Å; K142-D147 WeakPolarHBondContact CD-OD1 3.4Å; K142-D147 IonicContact NZ-OD1 3.88Å; K142-E148 CarbonylContact C-O 3.43Å; K142-E148 WeakPolarHBondContact CA-O 3.41Å; K142-F150 WeakPolarHBondContact O-CE1 3.25Å
143	D	92	Very high	91.3	Very high	3 Å²	3	83.5 Å²	83.5	2%	0.016	41%	0.412	C	S	.	.			trans	-60.7	133.4	176.9	-165.4	-81.3	0	0	0	111	N119 T122 N124 L145 T146 D147 E148	N119-D143 PolarHBondContact ND2-OD2 2.64Å; T122-D143 WeakPolarHBondContact CB-OD2 3.33Å; T122-D143 HydrophobicContact CG2-CB 3.9Å; T122-D143 WeakPolarHBondContact CG2-OD2 3.22Å; T122-D143 PolarHBondContact OG1-OD2 2.84Å; N124-D143 PolarHBondContact ND2-OD1 3.3Å; N124-D143 PolarHBondContact ND2-OD2 3.37Å; D143-L145 PolarHBondContact O-N 3.44Å; D143-L145 VanDerWaalsContact O-N 3.17Å; D143-L145 PolarHBondContact OD1-N 3.14Å; D143-T146 WeakPolarHBondContact CB-OG1 3.42Å; D143-T146 PolarHBondContact OD1-N 3.21Å; D143-D147 WeakPolarHBondContact O-CA 3.04Å; D143-D147 PolarHBondContact O-N 3.47Å; D143-E148 HydrophobicContact CB-CB 4.35Å; D143-E148 PolarHBondContact N-O 3.11Å
144	L	90.3	Very high	91.3	Very high	45 Å²	45	81 Å²	81	24%	0.236	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.1	-174.2	-64.8	172.1	0	0	0	113.9	V105 F126 A130 V131 L134 N135 K142	V105-L144 HydrophobicContact CG2-CB 3.7Å; V105-L144 HydrophobicContact CG2-CD1 4.07Å; V105-L144 HydrophobicContact CG2-CG 4.48Å; F126-L144 HydrophobicContact CD1-CB 4.36Å; F126-L144 HydrophobicContact CD1-CD1 4.16Å; F126-L144 HydrophobicContact CE1-CB 3.74Å; F126-L144 HydrophobicContact CE1-CD1 4.37Å; F126-L144 HydrophobicContact CG-CD1 4.39Å; F126-L144 HydrophobicContact CZ-CB 3.88Å; A130-L144 HydrophobicContact CB-CD1 4.1Å; V131-L144 HydrophobicContact CG2-CD1 4.31Å; L134-L144 HydrophobicContact CB-CD2 3.7Å; L134-L144 HydrophobicContact CD1-CD1 4.27Å; L134-L144 HydrophobicContact CD1-CD2 3.86Å; L134-L144 HydrophobicContact CG-CD2 4.45Å; N135-L144 WeakPolarHBondContact OD1-CD2 3.5Å; K142-L144 PolarHBondContact O-N 3.1Å
145	L	91.3	Very high	91.5	Very high	94 Å²	94	78.7 Å²	78.7	49%	0.492	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-39.1	175.1	-62.8	177	0	0	0	113.3	P104 F126 D143	P104-L145 HydrophobicContact CB-CD1 4.3Å; P104-L145 HydrophobicContact CB-CD2 4.18Å; P104-L145 HydrophobicContact CG-CD1 3.83Å; P104-L145 HydrophobicContact CG-CD2 4.26Å; P104-L145 HydrophobicContact CG-CG 4.38Å; F126-L145 HydrophobicContact CE1-CD1 4.14Å; F126-L145 HydrophobicContact CE1-CG 3.89Å; F126-L145 HydrophobicContact CZ-CD1 4.22Å; F126-L145 HydrophobicContact CZ-CG 4Å; D143-L145 PolarHBondContact O-N 3.44Å; D143-L145 VanDerWaalsContact O-N 3.17Å; D143-L145 PolarHBondContact OD1-N 3.14Å
146	T	91	Very high	91.6	Very high	68 Å²	68	78.9 Å²	78.9	42%	0.417	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-0	-172.5	62.1	0	0	0	0	114.3	T122 D143 E148	T122-T146 WeakPolarHBondContact CG2-OG1 3.44Å; D143-T146 WeakPolarHBondContact CB-OG1 3.42Å; D143-T146 PolarHBondContact OD1-N 3.21Å; T146-E148 PolarHBondContact O-N 3.02Å
147	D	89.9	Confident	91.7	Very high	108 Å²	108	80.2 Å²	80.2	58%	0.578	40%	0.397	S	S	*	.			trans	58.5	7.5	-176.6	-98.4	-53.8	0	0	0	115.1	K142 D143	K142-D147 WeakPolarHBondContact CD-OD1 3.4Å; K142-D147 IonicContact NZ-OD1 3.88Å; D143-D147 WeakPolarHBondContact O-CA 3.04Å; D143-D147 PolarHBondContact O-N 3.47Å
148	E	92.6	Very high	91.6	Very high	87 Å²	87	74.5 Å²	74.5	41%	0.407	37%	0.372	S	S	.	.			trans	-65.2	130.4	-178.6	-75.9	-177.8	-152.1	0	0	111.4	T122 K142 D143 T146	T122-E148 HydrophobicContact CG2-CB 4.01Å; T122-E148 HydrophobicContact CG2-CG 4.4Å; T122-E148 WeakPolarHBondContact CG2-OE2 3.29Å; K142-E148 CarbonylContact C-O 3.43Å; K142-E148 WeakPolarHBondContact CA-O 3.41Å; D143-E148 HydrophobicContact CB-CB 4.35Å; D143-E148 PolarHBondContact N-O 3.11Å; T146-E148 PolarHBondContact O-N 3.02Å
149	P	93.6	Very high	91.7	Very high	105 Å²	105	71.1 Å²	71.1	68%	0.682	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-71.4	134.3	-178.6	29.7	-34.4	0	0	0	111.1
150	F	94.5	Very high	91.6	Very high	19 Å²	19	65 Å²	65	8%	0.083	33%	0.326	C	S	.	.			trans	-136.4	174.8	175.6	71.5	-96.6	0	0	0	110.8	N119 V121 N135 Y141 K142 D154 I155	N119-F150 WeakPolarHBondContact ND2-CD1 3.38Å; V121-F150 HydrophobicContact CG2-CB 3.81Å; N135-F150 WeakPolarHBondContact ND2-CE1 3.47Å; N135-F150 WeakPolarHBondContact ND2-CZ 3.26Å; Y141-F150 WeakPolarHBondContact CB-O 3.42Å; Y141-F150 HydrophobicContact CD1-CE2 4.2Å; Y141-F150 PolarHBondContact O-N 2.76Å; K142-F150 WeakPolarHBondContact O-CE1 3.25Å; F150-D154 HydrophobicContact CB-CB 4.25Å; F150-D154 HydrophobicContact CD2-CB 4.24Å; F150-I155 HydrophobicContact CD2-CG1 4.42Å; F150-I155 HydrophobicContact CE2-CD1 4.09Å; F150-I155 HydrophobicContact CE2-CG1 3.63Å; F150-I155 HydrophobicContact CZ-CG1 4.47Å
151	T	93.3	Very high	91.5	Very high	74 Å²	74	64.5 Å²	64.5	45%	0.454	32%	0.321	S	S	.	.			trans	-113.2	161.5	177.3	79.9	0	0	0	0	111.9	K153 D154	T151-K153 PolarHBondContact O-N 3.46Å; T151-K153 PolarHBondContact OG1-N 3.31Å; T151-D154 WeakPolarHBondContact CA-OD2 3.42Å; T151-D154 VanDerWaalsContact CB-OD2 3.26Å; T151-D154 WeakPolarHBondContact CB-OD2 3.46Å; T151-D154 PolarHBondContact N-OD2 3.2Å; T151-D154 WeakPolarHBondContact O-CB 3.34Å; T151-D154 PolarHBondContact O-N 3.14Å; T151-D154 PolarHBondContact OG1-OD2 3.48Å
152	R	89.6	Confident	91.3	Very high	167 Å²	167	67.2 Å²	67.2	63%	0.63	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-56.1	-21.7	176.7	-169.8	173.2	177.2	-174.1	0.3	114.2	Y141 D154 I155	Y141-R152 HydrophobicContact CD1-CB 4.42Å; Y141-R152 HydrophobicContact CE1-CB 3.73Å; Y141-R152 HydrophobicContact CE1-CG 4.17Å; R152-D154 VanDerWaalsContact C-N 3.32Å; R152-I155 HydrophobicContact CG-CD1 4.42Å
153	K	90.9	Very high	90.8	Very high	191 Å²	191	66.6 Å²	66.6	83%	0.83	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-77.7	-17	175.9	-64.2	-176.4	178.8	-178.4	0	113.5	T151 I155	T151-K153 PolarHBondContact O-N 3.46Å; T151-K153 PolarHBondContact OG1-N 3.31Å; K153-I155 VanDerWaalsContact C-N 3.29Å
154	D	92.4	Very high	89.8	Confident	31 Å²	31	69.6 Å²	69.6	17%	0.166	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-87.4	-0	-178.9	-57	-52.4	0	0	0	112.2	K120 V121 F150 T151 R152 I156	K120-D154 HydrophobicContact CB-CB 3.94Å; K120-D154 VanDerWaalsContact CB-O 3.24Å; K120-D154 WeakPolarHBondContact CB-O 3.45Å; K120-D154 PolarHBondContact N-O 3.31Å; V121-D154 HydrophobicContact CG2-CB 4.35Å; F150-D154 HydrophobicContact CB-CB 4.25Å; F150-D154 HydrophobicContact CD2-CB 4.24Å; T151-D154 WeakPolarHBondContact CA-OD2 3.42Å; T151-D154 VanDerWaalsContact CB-OD2 3.26Å; T151-D154 WeakPolarHBondContact CB-OD2 3.46Å; T151-D154 PolarHBondContact N-OD2 3.2Å; T151-D154 WeakPolarHBondContact O-CB 3.34Å; T151-D154 PolarHBondContact O-N 3.14Å; T151-D154 PolarHBondContact OG1-OD2 3.48Å; R152-D154 VanDerWaalsContact C-N 3.32Å; D154-I156 PolarHBondContact O-N 3.11Å
155	I	93.7	Very high	89.2	Confident	26 Å²	26	73.1 Å²	73.1	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.4	172.9	-55	173	0	0	0	108.7	V117 V131 I136 F150 R152 K153 M157	V117-I155 HydrophobicContact CB-CG2 4.1Å; V117-I155 HydrophobicContact CG1-CG2 4.16Å; V131-I155 HydrophobicContact CG1-CD1 3.92Å; I136-I155 HydrophobicContact CD1-CD1 4.33Å; I136-I155 HydrophobicContact CG1-CD1 4.44Å; F150-I155 HydrophobicContact CD2-CG1 4.42Å; F150-I155 HydrophobicContact CE2-CD1 4.09Å; F150-I155 HydrophobicContact CE2-CG1 3.63Å; F150-I155 HydrophobicContact CZ-CG1 4.47Å; R152-I155 HydrophobicContact CG-CD1 4.42Å; K153-I155 VanDerWaalsContact C-N 3.29Å; I155-M157 HydrophobicContact CG2-SD 4.15Å
156	I	94.4	Very high	88.4	Confident	7 Å²	7	71.5 Å²	71.5	4%	0.036	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.6	179.3	-64	176.8	0	0	0	109.8	I89 V117 A118 K120 D154 L158	I89-I156 HydrophobicContact CD1-CD1 3.31Å; V117-I156 CarbonylContact C-O 3.52Å; V117-I156 VanDerWaalsContact CA-O 3.26Å; V117-I156 WeakPolarHBondContact CA-O 3.21Å; A118-I156 PolarHBondContact N-O 3.31Å; A118-I156 PolarHBondContact O-N 3.14Å; K120-I156 HydrophobicContact CB-CD1 3.79Å; K120-I156 HydrophobicContact CB-CG1 4.24Å; K120-I156 HydrophobicContact CD-CD1 4.43Å; K120-I156 HydrophobicContact CG-CD1 4.21Å; D154-I156 PolarHBondContact O-N 3.11Å; I156-L158 HydrophobicContact CG2-CD2 4.04Å; I156-L158 PolarHBondContact O-N 3.27Å
157	M	93.1	Very high	87.6	Confident	63 Å²	63	69.1 Å²	69.1	31%	0.31	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	96.3	-179.2	-53.6	-53.8	-59.7	0	0	110.6	H115 V117 Y128 I155 K166	H115-M157 WeakPolarHBondContact NE2-CE 3.07Å; V117-M157 HydrophobicContact CG1-CE 3.45Å; V117-M157 VanDerWaalsContact CG1-CE 3.45Å; V117-M157 HydrophobicContact CG1-SD 3.47Å; V117-M157 WeakPolarHBondContact CG1-SD 3.35Å; Y128-M157 HydrophobicContact CD2-CE 3.74Å; Y128-M157 HydrophobicContact CD2-SD 4.45Å; Y128-M157 HydrophobicContact CE2-CE 4.07Å; I155-M157 HydrophobicContact CG2-SD 4.15Å; M157-K166 PolarHBondContact O-NZ 3.11Å
158	L	91.9	Very high	87.3	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-37.8	-178.9	-64.4	-171.5	0	0	0	112.7	C54 V60 L91 F93 I116 A118 V125 I156 F167	C54-L158 HydrophobicContact CB-CD2 4.01Å; V60-L158 HydrophobicContact CG2-CD2 4.02Å; L91-L158 HydrophobicContact CD1-CD1 3.66Å; L91-L158 HydrophobicContact CD1-CD2 4.01Å; L91-L158 HydrophobicContact CD2-CD1 4.2Å; L91-L158 HydrophobicContact CD2-CD2 4.49Å; F93-L158 HydrophobicContact CZ-CD1 4.16Å; I116-L158 HydrophobicContact CB-CB 4.41Å; I116-L158 HydrophobicContact CG2-CB 4.29Å; I116-L158 HydrophobicContact CG2-CD1 4.24Å; I116-L158 PolarHBondContact O-N 3.16Å; A118-L158 HydrophobicContact CB-CD1 3.91Å; A118-L158 HydrophobicContact CB-CD2 4.32Å; A118-L158 HydrophobicContact CB-CG 4.02Å; V125-L158 HydrophobicContact CG1-CD1 4.12Å; V125-L158 HydrophobicContact CG2-CD1 4.11Å; I156-L158 HydrophobicContact CG2-CD2 4.04Å; I156-L158 PolarHBondContact O-N 3.27Å; L158-F167 WeakPolarHBondContact O-CZ 3.31Å
159	Q	90.4	Very high	86.9	Confident	10 Å²	10	61.9 Å²	61.9	5%	0.047	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	123.3	-179.2	-178.3	-172.3	2.1	0	0	110.3	T111 N112 S114 H115 I116	T111-Q159 PolarHBondContact O-NE2 3.48Å; N112-Q159 PolarHBondContact O-NE2 3.16Å; S114-Q159 WeakPolarHBondContact O-CG 3.34Å; S114-Q159 PolarHBondContact O-OE1 3.41Å; H115-Q159 WeakPolarHBondContact CA-O 3.42Å; H115-Q159 PolarHBondContact CD2-O 3.28Å; I116-Q159 HydrophobicContact CB-CB 4.09Å; I116-Q159 HydrophobicContact CG1-CB 4.25Å; I116-Q159 PolarHBondContact N-O 2.99Å; I116-Q159 PolarHBondContact O-N 3Å; I116-Q159 VanDerWaalsContact O-N 3.11Å
160	D	88.8	Confident	86.4	Confident	41 Å²	41	59.7 Å²	59.7	22%	0.219	31%	0.306	C	S	.	.			trans	-116.5	123.9	175.2	-175.4	-19.6	0	0	0	108.8	T162 N163	D160-T162 VanDerWaalsContact CG-OG1 3.24Å; D160-T162 PolarHBondContact O-N 2.7Å; D160-T162 WeakPolarHBondContact OD1-CA 3.16Å; D160-T162 WeakPolarHBondContact OD1-CB 3.47Å; D160-T162 PolarHBondContact OD1-N 3.33Å; D160-T162 PolarHBondContact OD1-OG1 3.18Å; D160-T162 PolarHBondContact OD2-OG1 2.93Å; D160-N163 HydrophobicContact CB-CB 4.31Å
161	P	85.6	Confident	85.8	Confident	45 Å²	45	60.7 Å²	60.7	29%	0.292	32%	0.315	S	S	.	.	S	Bend	trans	-68.8	-17.5	176.5	28.2	-34.6	0	0	0	113.8	H115	H115-P161 HydrophobicContact CB-CG 4.37Å
162	T	85.8	Confident	85.5	Confident	121 Å²	121	57.1 Å²	57.1	74%	0.742	29%	0.293	S	S	*	.	S	Bend	trans	-86.8	-27.2	179.3	72.5	0	0	0	0	113	D160	D160-T162 VanDerWaalsContact CG-OG1 3.24Å; D160-T162 PolarHBondContact O-N 2.7Å; D160-T162 WeakPolarHBondContact OD1-CA 3.16Å; D160-T162 WeakPolarHBondContact OD1-CB 3.47Å; D160-T162 PolarHBondContact OD1-N 3.33Å; D160-T162 PolarHBondContact OD1-OG1 3.18Å; D160-T162 PolarHBondContact OD2-OG1 2.93Å
163	N	81.5	Confident	85.4	Confident	85 Å²	85	52.6 Å²	52.6	46%	0.455	28%	0.278	S	S	.	.			trans	-109.5	86.3	179.7	-169.6	-16.4	0	0	0	111.4	D160	D160-N163 HydrophobicContact CB-CB 4.31Å
164	L	71.5	Confident	85.1	Confident	67 Å²	67	44.1 Å²	44.1	35%	0.351	24%	0.242	S	C	.	.			trans	-82.8	-22	-172.2	-69.6	168.6	0	0	0	114.3	F34 K166 F167	F34-L164 HydrophobicContact CE2-CB 4.31Å; F34-L164 HydrophobicContact CZ-CB 3.94Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 2.89Å; L164-F167 PolarHBondContact O-N 2.92Å
165	D	76.6	Confident	84.8	Confident	118 Å²	118	45.2 Å²	45.2	63%	0.631	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-69.7	-28.3	-172.5	-72.5	-38.5	0	0	0	113.5	F167 N168	D165-F167 PolarHBondContact O-N 3.36Å; D165-F167 VanDerWaalsContact O-N 3.15Å; D165-N168 PolarHBondContact O-N 3.38Å
166	K	74.4	Confident	84.5	Confident	60 Å²	60	50.3 Å²	50.3	26%	0.261	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-57	-27.9	178.4	-171	-177.4	179.5	-162	0	113.4	E57 G58 M157 L164	E57-K166 WeakPolarHBondContact O-CE 3.32Å; E57-K166 PolarHBondContact O-NZ 2.69Å; G58-K166 VanDerWaalsContact C-NZ 3.33Å; G58-K166 PolarHBondContact O-NZ 3.02Å; M157-K166 PolarHBondContact O-NZ 3.11Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 2.89Å
167	F	74.7	Confident	84	Confident	18 Å²	18	54 Å²	54	8%	0.079	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-113.7	16.7	-174	-59.8	-73.5	0	0	0	114.2	R36 L37 L158 L164 D165 V169	R36-F167 HydrophobicContact CG-CB 4.45Å; L37-F167 PolarHBondContact N-O 3.38Å; L158-F167 WeakPolarHBondContact O-CZ 3.31Å; L164-F167 PolarHBondContact O-N 2.92Å; D165-F167 PolarHBondContact O-N 3.36Å; D165-F167 VanDerWaalsContact O-N 3.15Å; F167-V169 PolarHBondContact O-N 3.2Å
168	N	83.4	Confident	83.4	Confident	20 Å²	20	57.4 Å²	57.4	11%	0.107	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-78.2	110	175.4	-175.4	4.3	0	0	0	110.6	F34 D165 S170 S171 F172	F34-N168 HydrophobicContact CD2-CB 3.89Å; F34-N168 HydrophobicContact CE2-CB 3.86Å; D165-N168 PolarHBondContact O-N 3.38Å; N168-S170 PolarHBondContact ND2-OG 2.79Å; N168-S170 PolarHBondContact O-N 2.94Å; N168-S170 PolarHBondContact OD1-N 2.93Å; N168-S170 PolarHBondContact OD1-OG 3.14Å; N168-S171 WeakPolarHBondContact O-CB 3.4Å; N168-S171 PolarHBondContact O-N 2.78Å; N168-S171 PolarHBondContact O-OG 2.86Å; N168-F172 WeakPolarHBondContact O-CD1 3.33Å; N168-F172 WeakPolarHBondContact O-CE1 2.97Å
169	V	83.9	Confident	83	Confident	23 Å²	23	59.2 Å²	59.2	14%	0.139	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-57.5	-27.1	-176.5	176.5	0	0	0	0	112.8	K35 L37 L46 F167 S171 F172 V175	K35-V169 HydrophobicContact CB-CB 4.32Å; K35-V169 WeakPolarHBondContact O-CG2 3.42Å; K35-V169 PolarHBondContact O-N 2.92Å; L37-V169 HydrophobicContact CB-CG2 4.06Å; L37-V169 HydrophobicContact CD1-CG2 4.29Å; L46-V169 HydrophobicContact CD1-CG1 3.92Å; L46-V169 HydrophobicContact CD2-CG1 4.2Å; L46-V169 HydrophobicContact CD2-CG2 4.28Å; F167-V169 PolarHBondContact O-N 3.2Å; V169-S171 PolarHBondContact O-N 3.24Å; V169-F172 HydrophobicContact CB-CD2 4.44Å; V169-F172 HydrophobicContact CB-CE2 4.23Å; V169-F172 HydrophobicContact CG1-CD2 4.33Å; V169-F172 HydrophobicContact CG1-CE2 4.42Å; V169-F172 HydrophobicContact CG2-CE2 3.89Å; V169-F172 HydrophobicContact CG2-CZ 4.25Å; V169-V175 HydrophobicContact CG1-CG2 4.32Å
170	S	83.3	Confident	82.3	Confident	59 Å²	59	65.7 Å²	65.7	41%	0.413	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-73.4	-12.6	176.2	76	0	0	0	0	114.2	N168 K176	N168-S170 PolarHBondContact ND2-OG 2.79Å; N168-S170 PolarHBondContact O-N 2.94Å; N168-S170 PolarHBondContact OD1-N 2.93Å; N168-S170 PolarHBondContact OD1-OG 3.14Å; S170-K176 WeakPolarHBondContact O-CE 3.34Å
171	S	83	Confident	81.6	Confident	40 Å²	40	65.8 Å²	65.8	28%	0.28	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-88.6	-21.6	179.9	80.5	0	0	0	0	112.9	N168 V169 K176	N168-S171 WeakPolarHBondContact O-CB 3.4Å; N168-S171 PolarHBondContact O-N 2.78Å; N168-S171 PolarHBondContact O-OG 2.86Å; V169-S171 PolarHBondContact O-N 3.24Å; S171-K176 WeakPolarHBondContact O-CD 3.35Å; S171-K176 WeakPolarHBondContact O-CE 3.29Å; S171-K176 PolarHBondContact O-NZ 3Å
172	F	87.1	Confident	80.6	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.348	C	S	.	.			trans	-62.1	134.6	-171.4	-60.7	-10	0	0	0	113	L37 L46 I78 N168 V169 H174 V175 K176	L37-F172 HydrophobicContact CD2-CE2 4.46Å; L37-F172 HydrophobicContact CD2-CZ 4.43Å; L46-F172 HydrophobicContact CD2-CD2 4.36Å; L46-F172 HydrophobicContact CD2-CE2 4Å; I78-F172 HydrophobicContact CD1-CD1 4.07Å; I78-F172 HydrophobicContact CD1-CE1 3.83Å; I78-F172 HydrophobicContact CD1-CZ 4.12Å; I78-F172 HydrophobicContact CG1-CD1 4.14Å; I78-F172 HydrophobicContact CG1-CE1 4.39Å; I78-F172 HydrophobicContact CG1-CG 4.31Å; I78-F172 HydrophobicContact CG2-CD1 3.93Å; I78-F172 HydrophobicContact CG2-CE1 4.39Å; N168-F172 WeakPolarHBondContact O-CD1 3.33Å; N168-F172 WeakPolarHBondContact O-CE1 2.97Å; V169-F172 HydrophobicContact CB-CD2 4.44Å; V169-F172 HydrophobicContact CB-CE2 4.23Å; V169-F172 HydrophobicContact CG1-CD2 4.33Å; V169-F172 HydrophobicContact CG1-CE2 4.42Å; V169-F172 HydrophobicContact CG2-CE2 3.89Å; V169-F172 HydrophobicContact CG2-CZ 4.25Å; F172-H174 AromaticContact CD2-CE1 3.68Å; F172-H174 PolarHBondContact O-N 2.67Å; F172-V175 HydrophobicContact CB-CB 4.25Å; F172-V175 HydrophobicContact CB-CG2 3.91Å; F172-V175 HydrophobicContact CD2-CG2 4.27Å; F172-V175 PolarHBondContact O-N 3.32Å; F172-K176 PolarHBondContact O-N 3.19Å
173	F	86.6	Confident	79.8	Confident	71 Å²	71	64.7 Å²	64.7	31%	0.311	34%	0.336	S	S	.	.	H	α-helix	trans	-57.4	-46.5	-177.5	-179.3	-92.9	0	0	0	113.3	P77 I78 V175 K176 N177 L179	P77-F173 PolarHBondContact O-N 3.16Å; I78-F173 WeakPolarHBondContact O-CB 3.28Å; I78-F173 PolarHBondContact O-N 3.41Å; I78-F173 VanDerWaalsContact O-N 3.09Å; F173-V175 VanDerWaalsContact C-N 3.34Å; F173-V175 PolarHBondContact O-N 2.98Å; F173-K176 PolarHBondContact O-N 2.94Å; F173-N177 WeakPolarHBondContact CD2-ND2 3.46Å; F173-N177 WeakPolarHBondContact CE1-ND2 3.46Å; F173-N177 WeakPolarHBondContact CE2-ND2 3.41Å; F173-N177 WeakPolarHBondContact CZ-ND2 3.42Å; F173-N177 WeakPolarHBondContact O-CB 3.44Å; F173-N177 PolarHBondContact O-N 3.39Å; F173-N177 PolarHBondContact O-ND2 3.44Å; F173-L179 HydrophobicContact CD1-CD1 3.99Å; F173-L179 HydrophobicContact CE1-CD1 3.55Å; F173-L179 HydrophobicContact CZ-CD1 4.48Å
174	H	85.4	Confident	79	Confident	13 Å²	13	64.5 Å²	64.5	6%	0.06	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-36.2	179.1	70.7	-80.8	0	0	0	113.2	S43 W69 P77 F172 N178 L179	S43-H174 PolarHBondContact O-CE1 3.49Å; W69-H174 HydrophobicContact CH2-CB 3.39Å; W69-H174 HydrophobicContact CZ2-CB 3.99Å; W69-H174 HydrophobicContact CZ3-CB 4.09Å; P77-H174 HydrophobicContact CB-CB 4.45Å; P77-H174 PolarHBondContact O-N 3.37Å; P77-H174 PolarHBondContact O-ND1 2.87Å; F172-H174 AromaticContact CD2-CE1 3.68Å; F172-H174 PolarHBondContact O-N 2.67Å; H174-N178 CarbonylContact O-C 3.55Å; H174-N178 WeakPolarHBondContact O-CA 3.38Å; H174-N178 PolarHBondContact O-N 3.37Å; H174-L179 HydrophobicContact CB-CB 4.33Å; H174-L179 PolarHBondContact O-N 2.95Å
175	V	86.4	Confident	78.7	Confident	54 Å²	54	65.1 Å²	65.1	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-68.6	-47.3	177.2	-179.6	0	0	0	0	110.7	V169 F172 F173 N177 N178	V169-V175 HydrophobicContact CG1-CG2 4.32Å; F172-V175 HydrophobicContact CB-CB 4.25Å; F172-V175 HydrophobicContact CB-CG2 3.91Å; F172-V175 HydrophobicContact CD2-CG2 4.27Å; F172-V175 PolarHBondContact O-N 3.32Å; F173-V175 VanDerWaalsContact C-N 3.34Å; F173-V175 PolarHBondContact O-N 2.98Å; V175-N177 VanDerWaalsContact C-N 3.31Å; V175-N177 PolarHBondContact O-N 3.04Å; V175-N178 PolarHBondContact O-N 3.47Å
176	K	86	Confident	78.1	Confident	133 Å²	133	64.3 Å²	64.3	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-59.8	-40.9	177.9	-76.3	171.7	172.6	161.1	0	112.7	S170 S171 F172 F173	S170-K176 WeakPolarHBondContact O-CE 3.34Å; S171-K176 WeakPolarHBondContact O-CD 3.35Å; S171-K176 WeakPolarHBondContact O-CE 3.29Å; S171-K176 PolarHBondContact O-NZ 3Å; F172-K176 PolarHBondContact O-N 3.19Å; F173-K176 PolarHBondContact O-N 2.94Å
177	N	83.6	Confident	77.8	Confident	85 Å²	85	64.7 Å²	64.7	46%	0.455	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.3	-175.5	-62.8	-26.9	0	0	0	113.4	F173 V175 L179	F173-N177 WeakPolarHBondContact CD2-ND2 3.46Å; F173-N177 WeakPolarHBondContact CE1-ND2 3.46Å; F173-N177 WeakPolarHBondContact CE2-ND2 3.41Å; F173-N177 WeakPolarHBondContact CZ-ND2 3.42Å; F173-N177 WeakPolarHBondContact O-CB 3.44Å; F173-N177 PolarHBondContact O-N 3.39Å; F173-N177 PolarHBondContact O-ND2 3.44Å; V175-N177 VanDerWaalsContact C-N 3.31Å; V175-N177 PolarHBondContact O-N 3.04Å; N177-L179 HydrophobicContact CB-CD1 3.74Å; N177-L179 HydrophobicContact CB-CG 3.93Å; N177-L179 PolarHBondContact O-N 2.91Å; N177-L179 VanDerWaalsContact O-N 3.12Å
178	N	81.9	Confident	77.4	Confident	135 Å²	135	68.3 Å²	68.3	72%	0.722	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	31	-175.2	-68.4	-69.3	0	0	0	114.5	H174 V175	H174-N178 CarbonylContact O-C 3.55Å; H174-N178 WeakPolarHBondContact O-CA 3.38Å; H174-N178 PolarHBondContact O-N 3.37Å; V175-N178 PolarHBondContact O-N 3.47Å
179	L	82.1	Confident	76.6	Confident	46 Å²	46	68.6 Å²	68.6	24%	0.241	36%	0.359	C	S	.	.			trans	-77.1	127.8	178.9	-71	160.3	0	0	0	109.8	W69 Y73 F173 H174 N177	W69-L179 HydrophobicContact CH2-CB 3.58Å; W69-L179 HydrophobicContact CZ2-CB 4.41Å; W69-L179 HydrophobicContact CZ3-CB 4.37Å; Y73-L179 HydrophobicContact CD1-CD2 4.49Å; Y73-L179 HydrophobicContact CE1-CD2 3.85Å; F173-L179 HydrophobicContact CD1-CD1 3.99Å; F173-L179 HydrophobicContact CE1-CD1 3.55Å; F173-L179 HydrophobicContact CZ-CD1 4.48Å; H174-L179 HydrophobicContact CB-CB 4.33Å; H174-L179 PolarHBondContact O-N 2.95Å; N177-L179 HydrophobicContact CB-CD1 3.74Å; N177-L179 HydrophobicContact CB-CG 3.93Å; N177-L179 PolarHBondContact O-N 2.91Å; N177-L179 VanDerWaalsContact O-N 3.12Å
180	K	76.7	Confident	75.7	Confident	145 Å²	145	74.3 Å²	74.3	63%	0.63	38%	0.382	S	S	*	.			trans	-137.7	133.7	177.7	-64.2	-173	179.4	-174.6	0	110.7	Y73 L182	Y73-K180 PolarHBondContact OH-O 2.95Å; K180-L182 PolarHBondContact O-N 3.22Å
181	V	73.6	Confident	75.1	Confident	43 Å²	43	79 Å²	79	26%	0.261	40%	0.398	S	S	.	.			trans	-77.5	110.4	158	-179.2	0	0	0	0	105.9	P68 W69 K72 Y73	P68-V181 HydrophobicContact CB-CG1 3.99Å; W69-V181 HydrophobicContact CB-CG2 4.02Å; W69-V181 HydrophobicContact CD2-CG2 4.16Å; W69-V181 HydrophobicContact CE3-CG2 3.55Å; W69-V181 HydrophobicContact CG-CG2 4.41Å; W69-V181 HydrophobicContact CZ3-CG2 4.32Å; K72-V181 HydrophobicContact CB-CG2 4.33Å; K72-V181 HydrophobicContact CD-CG1 4.32Å; K72-V181 HydrophobicContact CD-CG2 4.13Å; Y73-V181 HydrophobicContact CD2-CG2 4.12Å; Y73-V181 HydrophobicContact CE2-CG2 3.85Å
182	L	65.6	Low	74.4	Confident	49 Å²	49	80.5 Å²	80.5	26%	0.257	40%	0.402	S	S	.	.			trans	-84.6	144.1	161	-63.7	172.5	0	0	0	107.3	K180 E187	K180-L182 PolarHBondContact O-N 3.22Å; L182-E187 HydrophobicContact CB-CG 3.5Å; L182-E187 HydrophobicContact CD1-CG 3.98Å; L182-E187 HydrophobicContact CG-CG 4.39Å
183	D	67.4	Low	73.4	Confident	95 Å²	95	86.5 Å²	86.5	51%	0.508	44%	0.441	S	S	.	.			trans	-65.9	145.4	174.3	-80	-49.8	0	0	0	110.5	D185 E186 E187	D183-D185 PolarHBondContact O-N 2.8Å; D183-E186 HydrophobicContact CB-CB 4.41Å; D183-E186 HydrophobicContact CB-CG 4.22Å; D183-E186 WeakPolarHBondContact O-CB 3.45Å; D183-E186 PolarHBondContact O-N 3.04Å; D183-E187 PolarHBondContact O-N 3.09Å
184	P	66.7	Low	72.4	Confident	80 Å²	80	85.2 Å²	85.2	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-19.1	-175.2	25.3	-35	0	0	0	113.2	K188	P184-K188 VanDerWaalsContact O-CD 3.31Å; P184-K188 WeakPolarHBondContact O-CD 3.45Å; P184-K188 WeakPolarHBondContact O-CE 3.36Å; P184-K188 VanDerWaalsContact O-CG 3.22Å; P184-K188 WeakPolarHBondContact O-CG 3.48Å; P184-K188 PolarHBondContact O-N 3.31Å
185	D	63.6	Low	71.4	Confident	81 Å²	81	87.6 Å²	87.6	43%	0.433	45%	0.453	S	S	.	.	H	α-helix	trans	-90.7	-25.9	174.5	-61.8	-35.3	0	0	0	112.7	D183 K188 A189 Y195	D183-D185 PolarHBondContact O-N 2.8Å; D185-K188 IonicContact OD1-NZ 2.67Å; D185-K188 PolarHBondContact OD1-NZ 3.42Å; D185-A189 VanDerWaalsContact O-CB 3.31Å; D185-A189 WeakPolarHBondContact O-CB 3.32Å; D185-A189 PolarHBondContact O-N 3.19Å; D185-Y195 HydrophobicContact CB-CE1 4.27Å; D185-Y195 PolarHBondContact OD1-OH 3.29Å; D185-Y195 VanDerWaalsContact OD1-OH 3.07Å
186	E	65.3	Low	70.3	Confident	101 Å²	101	91.9 Å²	91.9	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-70.8	-37.9	166.9	-72.6	-164	155.9	0	0	112.1	D183 K188 A189 K190	D183-E186 HydrophobicContact CB-CB 4.41Å; D183-E186 HydrophobicContact CB-CG 4.22Å; D183-E186 WeakPolarHBondContact O-CB 3.45Å; D183-E186 PolarHBondContact O-N 3.04Å; E186-K188 VanDerWaalsContact C-N 3.31Å; E186-A189 PolarHBondContact O-N 3.49Å; E186-K190 PolarHBondContact O-N 2.9Å
187	E	66.7	Low	69	Low	67 Å²	67	88.2 Å²	88.2	31%	0.313	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-40.1	174.3	-69.5	-171.9	165.8	0	0	110.6	K72 L182 D183 Q191	K72-E187 IonicContact NZ-OE1 2.81Å; K72-E187 PolarHBondContact NZ-OE1 2.57Å; L182-E187 HydrophobicContact CB-CG 3.5Å; L182-E187 HydrophobicContact CD1-CG 3.98Å; L182-E187 HydrophobicContact CG-CG 4.39Å; D183-E187 PolarHBondContact O-N 3.09Å; E187-Q191 WeakPolarHBondContact O-CG 3.41Å; E187-Q191 PolarHBondContact O-N 3.43Å
188	K	67.7	Low	67.7	Low	95 Å²	95	91 Å²	91	41%	0.413	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-43.3	172.5	-67.4	164.8	-157.7	159.4	0	112.4	P184 D185 E186 K190 Q191 D192 Y195	P184-K188 VanDerWaalsContact O-CD 3.31Å; P184-K188 WeakPolarHBondContact O-CD 3.45Å; P184-K188 WeakPolarHBondContact O-CE 3.36Å; P184-K188 VanDerWaalsContact O-CG 3.22Å; P184-K188 WeakPolarHBondContact O-CG 3.48Å; P184-K188 PolarHBondContact O-N 3.31Å; D185-K188 IonicContact OD1-NZ 2.67Å; D185-K188 PolarHBondContact OD1-NZ 3.42Å; E186-K188 VanDerWaalsContact C-N 3.31Å; K188-K190 VanDerWaalsContact C-N 3.26Å; K188-K190 PolarHBondContact O-N 3.02Å; K188-Q191 PolarHBondContact O-N 2.88Å; K188-Q191 VanDerWaalsContact O-N 3.11Å; K188-D192 PolarHBondContact O-N 3.28Å; K188-Y195 HydrophobicContact CB-CD2 3.83Å; K188-Y195 HydrophobicContact CB-CE1 4.34Å; K188-Y195 HydrophobicContact CB-CE2 3.54Å; K188-Y195 HydrophobicContact CB-CG 4.37Å; K188-Y195 HydrophobicContact CD-CE2 3.77Å; K188-Y195 WeakPolarHBondContact CD-OH 3.15Å; K188-Y195 HydrophobicContact CG-CE2 4.23Å
189	A	65.8	Low	66.5	Low	26 Å²	26	89.8 Å²	89.8	22%	0.215	47%	0.466	C	S	.	.	H	α-helix	trans	-63.8	-29.2	178.2	0	0	0	0	0	113.4	D185 E186 Y195	D185-A189 VanDerWaalsContact O-CB 3.31Å; D185-A189 WeakPolarHBondContact O-CB 3.32Å; D185-A189 PolarHBondContact O-N 3.19Å; E186-A189 PolarHBondContact O-N 3.49Å; A189-Y195 HydrophobicContact CB-CD1 3.83Å; A189-Y195 HydrophobicContact CB-CG 4.34Å
190	K	66.3	Low	65.4	Low	143 Å²	143	90.1 Å²	90.1	62%	0.622	47%	0.47	S	S	*	.	H	α-helix	trans	-75.7	-29.1	172	-80.3	174.9	178	160.4	0	113.8	E186 K188	E186-K190 PolarHBondContact O-N 2.9Å; K188-K190 VanDerWaalsContact C-N 3.26Å; K188-K190 PolarHBondContact O-N 3.02Å
191	Q	70	Confident	65.1	Low	157 Å²	157	89 Å²	89	73%	0.734	47%	0.471	S	S	*	.	H	α-helix	trans	-84.6	-38.9	179.5	-71.2	176.9	14.6	0	0	112.2	E187 K188 P193	E187-Q191 WeakPolarHBondContact O-CG 3.41Å; E187-Q191 PolarHBondContact O-N 3.43Å; K188-Q191 PolarHBondContact O-N 2.88Å; K188-Q191 VanDerWaalsContact O-N 3.11Å; Q191-P193 WeakPolarHBondContact O-CD 3.41Å
192	D	67.3	Low	65.1	Low	71 Å²	71	92.5 Å²	92.5	38%	0.38	49%	0.487	S	S	.	.			trans	-107.5	103.5	176.3	-93.6	-4.3	0	0	0	110.4	K188 A194 Y195 K198	K188-D192 PolarHBondContact O-N 3.28Å; D192-A194 PolarHBondContact O-N 3.27Å; D192-Y195 VanDerWaalsContact O-CB 3.25Å; D192-Y195 WeakPolarHBondContact O-CB 3.14Å; D192-Y195 PolarHBondContact O-N 2.8Å; D192-K198 IonicContact OD2-NZ 2.67Å; D192-K198 PolarHBondContact OD2-NZ 2.91Å
193	P	66.3	Low	65.4	Low	126 Å²	126	97.2 Å²	97.2	82%	0.818	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.5	168.3	-25.2	34.7	0	0	0	113.5	Q191	Q191-P193 WeakPolarHBondContact O-CD 3.41Å
194	A	65.2	Low	65.3	Low	45 Å²	45	95.6 Å²	95.6	37%	0.372	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.8	175.9	0	0	0	0	0	114.4	D192 H196 L197	D192-A194 PolarHBondContact O-N 3.27Å; A194-H196 PolarHBondContact O-N 3.4Å; A194-L197 HydrophobicContact CB-CD1 4.42Å; A194-L197 WeakPolarHBondContact O-CB 3.37Å; A194-L197 PolarHBondContact O-N 3.15Å; A194-L197 VanDerWaalsContact O-N 3.09Å
195	Y	64.9	Low	65.4	Low	63 Å²	63	99.1 Å²	99.1	25%	0.247	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-59.2	-48	-175.3	-170.4	-108.8	0	0	0	112.4	D185 K188 A189 D192 L197 K198	D185-Y195 HydrophobicContact CB-CE1 4.27Å; D185-Y195 PolarHBondContact OD1-OH 3.29Å; D185-Y195 VanDerWaalsContact OD1-OH 3.07Å; K188-Y195 HydrophobicContact CB-CD2 3.83Å; K188-Y195 HydrophobicContact CB-CE1 4.34Å; K188-Y195 HydrophobicContact CB-CE2 3.54Å; K188-Y195 HydrophobicContact CB-CG 4.37Å; K188-Y195 HydrophobicContact CD-CE2 3.77Å; K188-Y195 WeakPolarHBondContact CD-OH 3.15Å; K188-Y195 HydrophobicContact CG-CE2 4.23Å; A189-Y195 HydrophobicContact CB-CD1 3.83Å; A189-Y195 HydrophobicContact CB-CG 4.34Å; D192-Y195 VanDerWaalsContact O-CB 3.25Å; D192-Y195 WeakPolarHBondContact O-CB 3.14Å; D192-Y195 PolarHBondContact O-N 2.8Å; Y195-L197 PolarHBondContact O-N 2.67Å; Y195-K198 PolarHBondContact O-N 2.89Å
196	H	63.4	Low	66	Low	143 Å²	143	100.6 Å²	100.6	66%	0.662	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-75.4	-6.6	177.5	-62.2	-66.5	0	0	0	114.3	A194 S199	A194-H196 PolarHBondContact O-N 3.4Å; H196-S199 PolarHBondContact O-OG 2.88Å
197	L	59	Low	66.3	Low	57 Å²	57	99.3 Å²	99.3	30%	0.298	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-85.1	-14.6	172.3	-76.1	165.3	0	0	0	112.5	A194 Y195 S199 T200 L208	A194-L197 HydrophobicContact CB-CD1 4.42Å; A194-L197 WeakPolarHBondContact O-CB 3.37Å; A194-L197 PolarHBondContact O-N 3.15Å; A194-L197 VanDerWaalsContact O-N 3.09Å; Y195-L197 PolarHBondContact O-N 2.67Å; L197-S199 PolarHBondContact O-N 2.74Å; L197-T200 HydrophobicContact CD2-CG2 4.41Å; L197-T200 PolarHBondContact O-N 3.37Å; L197-T200 PolarHBondContact O-OG1 3.08Å; L197-L208 HydrophobicContact CD2-CD1 3.53Å
198	K	56	Low	66.3	Low	144 Å²	144	98.8 Å²	98.8	63%	0.626	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.5	-177.4	-66.3	175.1	-170.6	173.5	0	114.1	D192 Y195	D192-K198 IonicContact OD2-NZ 2.67Å; D192-K198 PolarHBondContact OD2-NZ 2.91Å; Y195-K198 PolarHBondContact O-N 2.89Å
199	S	57.1	Low	66.5	Low	109 Å²	109	96.7 Å²	96.7	76%	0.762	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	4.4	175.4	55.6	0	0	0	0	114.4	H196 L197	H196-S199 PolarHBondContact O-OG 2.88Å; L197-S199 PolarHBondContact O-N 2.74Å
200	T	58.5	Low	66.9	Low	53 Å²	53	101.4 Å²	101.4	33%	0.325	53%	0.525	S	S	.	.	S	Bend	trans	-88	151	-179.8	64.7	0	0	0	0	112.4	L197 T204	L197-T200 HydrophobicContact CD2-CG2 4.41Å; L197-T200 PolarHBondContact O-N 3.37Å; L197-T200 PolarHBondContact O-OG1 3.08Å; T200-T204 WeakPolarHBondContact CB-OG1 3.41Å
201	N	71.2	Confident	66.9	Low	121 Å²	121	99.4 Å²	99.4	65%	0.647	52%	0.521	S	S	*	.			trans	-57.1	154.8	176.3	-87.9	-7.9	0	0	0	112.6	E203 T204 R205	N201-E203 VanDerWaalsContact C-N 3.33Å; N201-E203 PolarHBondContact O-N 3.49Å; N201-T204 WeakPolarHBondContact CA-OG1 3.35Å; N201-T204 PolarHBondContact N-OG1 2.95Å; N201-T204 VanDerWaalsContact N-OG1 3.09Å; N201-T204 PolarHBondContact O-N 2.9Å; N201-T204 VanDerWaalsContact O-N 3.15Å; N201-T204 PolarHBondContact O-OG1 3.16Å; N201-R205 PolarHBondContact O-N 3.4Å
202	L	73.4	Confident	66.7	Low	116 Å²	116	99.3 Å²	99.3	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-55.8	-46.6	-178.1	-173.9	65.2	0	0	0	112.1	T204 R205 E206	L202-T204 PolarHBondContact O-N 3.01Å; L202-R205 WeakPolarHBondContact O-CB 3.5Å; L202-R205 PolarHBondContact O-N 2.9Å; L202-E206 PolarHBondContact O-N 3.48Å
203	E	72.6	Confident	66.8	Low	149 Å²	149	104.8 Å²	104.8	70%	0.696	54%	0.535	S	S	*	.	H	α-helix	trans	-58.2	-46.2	177	-61.4	175.8	157.7	0	0	112.1	N201 R205 E206 T207	N201-E203 VanDerWaalsContact C-N 3.33Å; N201-E203 PolarHBondContact O-N 3.49Å; E203-R205 PolarHBondContact O-N 2.93Å; E203-E206 PolarHBondContact O-N 2.86Å; E203-T207 PolarHBondContact O-N 2.8Å; E203-T207 PolarHBondContact O-OG1 3.26Å
204	T	65.1	Low	66.8	Low	61 Å²	61	106.1 Å²	106.1	37%	0.374	53%	0.53	S	S	.	.	H	α-helix	trans	-64.6	-27	176.9	43.3	0	0	0	0	112.9	T200 N201 L202 T207 L208	T200-T204 WeakPolarHBondContact CB-OG1 3.41Å; N201-T204 WeakPolarHBondContact CA-OG1 3.35Å; N201-T204 PolarHBondContact N-OG1 2.95Å; N201-T204 VanDerWaalsContact N-OG1 3.09Å; N201-T204 PolarHBondContact O-N 2.9Å; N201-T204 VanDerWaalsContact O-N 3.15Å; N201-T204 PolarHBondContact O-OG1 3.16Å; L202-T204 PolarHBondContact O-N 3.01Å; T204-T207 WeakPolarHBondContact CA-OG1 3.49Å; T204-T207 PolarHBondContact O-OG1 3.46Å; T204-L208 VanDerWaalsContact O-CB 3.29Å; T204-L208 WeakPolarHBondContact O-CB 3.46Å; T204-L208 WeakPolarHBondContact O-CD1 3.29Å; T204-L208 VanDerWaalsContact O-CG 3.23Å; T204-L208 WeakPolarHBondContact O-CG 3.49Å; T204-L208 PolarHBondContact O-N 2.79Å; T204-L208 VanDerWaalsContact O-N 3.11Å
205	R	68.7	Low	66.5	Low	153 Å²	153	111 Å²	111	58%	0.577	54%	0.54	S	S	*	.	H	α-helix	trans	-76.3	-34.8	176	-160.9	-174.4	70.5	133	3.7	111.8	N201 L202 E203 A209	N201-R205 PolarHBondContact O-N 3.4Å; L202-R205 WeakPolarHBondContact O-CB 3.5Å; L202-R205 PolarHBondContact O-N 2.9Å; E203-R205 PolarHBondContact O-N 2.93Å; R205-A209 WeakPolarHBondContact O-CB 3.49Å; R205-A209 PolarHBondContact O-N 2.76Å
206	E	75.7	Confident	66.3	Low	113 Å²	113	114.9 Å²	114.9	53%	0.528	56%	0.558	S	S	.	*	H	α-helix	trans	-72.2	-46.4	175.5	-70.4	-179.9	168.4	0	0	111.3	L202 E203 L208 A209 E210	L202-E206 PolarHBondContact O-N 3.48Å; E203-E206 PolarHBondContact O-N 2.86Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.49Å; E206-A209 WeakPolarHBondContact O-CB 3.41Å; E206-A209 PolarHBondContact O-N 2.79Å; E206-E210 PolarHBondContact O-N 2.74Å
207	T	72.3	Confident	65.9	Low	74 Å²	74	108.3 Å²	108.3	45%	0.454	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-34.8	174.9	57.4	0	0	0	0	112.6	E203 T204 L211	E203-T207 PolarHBondContact O-N 2.8Å; E203-T207 PolarHBondContact O-OG1 3.26Å; T204-T207 WeakPolarHBondContact CA-OG1 3.49Å; T204-T207 PolarHBondContact O-OG1 3.46Å; T207-L211 WeakPolarHBondContact O-CB 3.44Å; T207-L211 WeakPolarHBondContact O-CG 3.3Å; T207-L211 PolarHBondContact O-N 2.86Å
208	L	65.1	Low	65.8	Low	55 Å²	55	112.3 Å²	112.3	29%	0.288	55%	0.551	S	S	.	*	H	α-helix	trans	-68.1	-37.4	171.1	-78.7	170.5	0	0	0	112.5	L197 T204 E206 E210 L211 Y212	L197-L208 HydrophobicContact CD2-CD1 3.53Å; T204-L208 VanDerWaalsContact O-CB 3.29Å; T204-L208 WeakPolarHBondContact O-CB 3.46Å; T204-L208 WeakPolarHBondContact O-CD1 3.29Å; T204-L208 VanDerWaalsContact O-CG 3.23Å; T204-L208 WeakPolarHBondContact O-CG 3.49Å; T204-L208 PolarHBondContact O-N 2.79Å; T204-L208 VanDerWaalsContact O-N 3.11Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.49Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-L211 HydrophobicContact CD2-CD1 4.25Å; L208-L211 PolarHBondContact O-N 3.41Å; L208-Y212 WeakPolarHBondContact O-CB 3.21Å; L208-Y212 WeakPolarHBondContact O-CD2 3.21Å; L208-Y212 PolarHBondContact O-N 3.16Å
209	A	72.1	Confident	66	Low	51 Å²	51	111.7 Å²	111.7	42%	0.421	55%	0.55	S	S	.	*	H	α-helix	trans	-68	-33	176.2	0	0	0	0	0	112.7	R205 E206 K213	R205-A209 WeakPolarHBondContact O-CB 3.49Å; R205-A209 PolarHBondContact O-N 2.76Å; E206-A209 WeakPolarHBondContact O-CB 3.41Å; E206-A209 PolarHBondContact O-N 2.79Å; A209-K213 WeakPolarHBondContact O-CG 3.47Å; A209-K213 PolarHBondContact O-N 2.98Å
210	E	74.8	Confident	65.9	Low	125 Å²	125	111.3 Å²	111.3	58%	0.584	54%	0.539	S	S	*	.	H	α-helix	trans	-70	-48.6	170	-69	-175.7	152.6	0	0	111.2	E206 L208 Y212 K213 E214	E206-E210 PolarHBondContact O-N 2.74Å; L208-E210 VanDerWaalsContact C-N 3.34Å; E210-Y212 VanDerWaalsContact C-N 3.3Å; E210-Y212 PolarHBondContact O-N 3.11Å; E210-K213 WeakPolarHBondContact O-CA 3.23Å; E210-K213 WeakPolarHBondContact O-CB 3.24Å; E210-K213 PolarHBondContact O-N 3.1Å; E210-E214 PolarHBondContact O-N 3.08Å
211	L	67	Low	65.7	Low	101 Å²	101	113 Å²	113	53%	0.529	55%	0.546	S	S	.	.	H	α-helix	trans	-53	-45.1	173	-84.4	162.9	0	0	0	111.8	T207 L208 K213 E214 Y215	T207-L211 WeakPolarHBondContact O-CB 3.44Å; T207-L211 WeakPolarHBondContact O-CG 3.3Å; T207-L211 PolarHBondContact O-N 2.86Å; L208-L211 HydrophobicContact CD2-CD1 4.25Å; L208-L211 PolarHBondContact O-N 3.41Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 3.08Å; L211-E214 CarbonylContact O-C 3.59Å; L211-E214 PolarHBondContact O-N 3.45Å; L211-Y215 WeakPolarHBondContact O-CA 3.46Å; L211-Y215 WeakPolarHBondContact O-CB 3.15Å; L211-Y215 PolarHBondContact O-N 3.32Å
212	Y	64.1	Low	65	Low	155 Å²	155	110.4 Å²	110.4	61%	0.608	54%	0.541	S	S	*	.	H	α-helix	trans	-66.5	-26.4	177.2	-80.6	-60.3	0	0	0	113.9	L208 E210	L208-Y212 WeakPolarHBondContact O-CB 3.21Å; L208-Y212 WeakPolarHBondContact O-CD2 3.21Å; L208-Y212 PolarHBondContact O-N 3.16Å; E210-Y212 VanDerWaalsContact C-N 3.3Å; E210-Y212 PolarHBondContact O-N 3.11Å
213	K	71.1	Confident	64.1	Low	186 Å²	186	108.1 Å²	108.1	81%	0.809	53%	0.534	S	S	*	.	H	α-helix	trans	-75.9	-34.6	170.7	-76.3	174.1	178.7	172.8	0	112.3	A209 E210 L211	A209-K213 WeakPolarHBondContact O-CG 3.47Å; A209-K213 PolarHBondContact O-N 2.98Å; E210-K213 WeakPolarHBondContact O-CA 3.23Å; E210-K213 WeakPolarHBondContact O-CB 3.24Å; E210-K213 PolarHBondContact O-N 3.1Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 3.08Å
214	E	65.4	Low	63.2	Low	154 Å²	154	106.4 Å²	106.4	72%	0.72	54%	0.535	S	S	*	.	H	α-helix	trans	-82	-15.5	175.8	-64.3	-167.8	154.8	0	0	113	E210 L211 K216	E210-E214 PolarHBondContact O-N 3.08Å; L211-E214 CarbonylContact O-C 3.59Å; L211-E214 PolarHBondContact O-N 3.45Å; E214-K216 PolarHBondContact O-N 3.2Å
215	Y	59.5	Low	62.5	Low	149 Å²	149	110.3 Å²	110.3	58%	0.584	55%	0.55	S	S	*	*			trans	-69.9	91.7	-174.4	-166.7	-112.8	0	0	0	111.9	L211 G217	L211-Y215 WeakPolarHBondContact O-CA 3.46Å; L211-Y215 WeakPolarHBondContact O-CB 3.15Å; L211-Y215 PolarHBondContact O-N 3.32Å; Y215-G217 PolarHBondContact O-N 3.42Å
216	K	59.3	Low	61.4	Low	143 Å²	143	108.6 Å²	108.6	62%	0.622	55%	0.547	S	S	*	.			trans	-70.8	46.3	166.8	-69.4	177	173	-179.3	0	112.2	E214 D218 Q219 L220	E214-K216 PolarHBondContact O-N 3.2Å; K216-D218 PolarHBondContact O-N 2.87Å; K216-Q219 HydrophobicContact CB-CB 4.32Å; K216-Q219 PolarHBondContact O-N 2.78Å; K216-Q219 VanDerWaalsContact O-N 3.15Å; K216-L220 PolarHBondContact O-N 3.21Å
217	G	56.3	Low	60.3	Low	5 Å²	5	111.2 Å²	111.2	5%	0.052	56%	0.559	C	S	.	*	H	α-helix	trans	-53	-48.9	-174.4	0	0	0	0	0	113	Y215 Q219 L220 L221	Y215-G217 PolarHBondContact O-N 3.42Å; G217-Q219 PolarHBondContact O-N 2.86Å; G217-L220 CarbonylContact O-C 3.6Å; G217-L220 PolarHBondContact O-N 2.93Å; G217-L221 WeakPolarHBondContact O-CB 3.43Å; G217-L221 PolarHBondContact O-N 2.95Å
218	D	57.1	Low	59.2	Low	141 Å²	141	113.7 Å²	113.7	75%	0.754	58%	0.577	S	S	*	*	H	α-helix	trans	-70.8	-29.7	-178.6	-65.9	-19.1	0	0	0	113.1	K216 A222	K216-D218 PolarHBondContact O-N 2.87Å; D218-A222 WeakPolarHBondContact O-CB 3.41Å; D218-A222 PolarHBondContact O-N 2.85Å
219	Q	58.7	Low	58.6	Low	132 Å²	132	117.7 Å²	117.7	62%	0.617	59%	0.594	S	S	*	*	H	α-helix	trans	-72.8	-36.7	172.2	-71.2	-175.9	-14.5	0	0	111.2	K216 G217 S223	K216-Q219 HydrophobicContact CB-CB 4.32Å; K216-Q219 PolarHBondContact O-N 2.78Å; K216-Q219 VanDerWaalsContact O-N 3.15Å; G217-Q219 PolarHBondContact O-N 2.86Å; Q219-S223 WeakPolarHBondContact O-CB 3.46Å; Q219-S223 PolarHBondContact O-N 2.86Å
220	L	55	Low	57.9	Low	100 Å²	100	119.6 Å²	119.6	52%	0.524	61%	0.609	S	S	.	*	H	α-helix	trans	-67.6	-43.8	172.4	-76.9	165.2	0	0	0	111.2	K216 G217 S223 T224	K216-L220 PolarHBondContact O-N 3.21Å; G217-L220 CarbonylContact O-C 3.6Å; G217-L220 PolarHBondContact O-N 2.93Å; L220-S223 WeakPolarHBondContact CA-OG 3.18Å; L220-S223 PolarHBondContact O-N 2.89Å; L220-S223 VanDerWaalsContact O-N 3.13Å; L220-S223 PolarHBondContact O-OG 2.91Å; L220-T224 WeakPolarHBondContact O-CG2 3.43Å; L220-T224 PolarHBondContact O-N 3.32Å; L220-T224 PolarHBondContact O-OG1 3.06Å
221	L	54.7	Low	57.2	Low	90 Å²	90	119.4 Å²	119.4	47%	0.471	61%	0.607	S	S	.	*	H	α-helix	trans	-62	-44.8	173.6	-118.9	96.1	0	0	0	111.2	G217 S223 T224 M225	G217-L221 WeakPolarHBondContact O-CB 3.43Å; G217-L221 PolarHBondContact O-N 2.95Å; L221-S223 PolarHBondContact O-N 3.37Å; L221-T224 WeakPolarHBondContact CA-OG1 3.39Å; L221-T224 PolarHBondContact O-N 2.83Å; L221-T224 PolarHBondContact O-OG1 2.97Å; L221-T224 VanDerWaalsContact O-OG1 3.09Å; L221-M225 HydrophobicContact CD2-SD 3.99Å; L221-M225 VanDerWaalsContact O-CB 3.22Å; L221-M225 WeakPolarHBondContact O-CB 3.42Å; L221-M225 VanDerWaalsContact O-CG 3.28Å; L221-M225 WeakPolarHBondContact O-CG 3.32Å; L221-M225 PolarHBondContact O-N 2.83Å
222	A	56.3	Low	57	Low	65 Å²	65	123.6 Å²	123.6	54%	0.537	62%	0.621	S	S	.	*	H	α-helix	trans	-64.4	-28.1	174.6	0	0	0	0	0	112.7	D218 K226	D218-A222 WeakPolarHBondContact O-CB 3.41Å; D218-A222 PolarHBondContact O-N 2.85Å; A222-K226 PolarHBondContact O-N 3.03Å
223	S	56.3	Low	57	Low	68 Å²	68	119.2 Å²	119.2	48%	0.476	61%	0.61	S	S	.	*	H	α-helix	trans	-76.8	-29.6	173.9	79.5	0	0	0	0	113.5	Q219 L220 L221 K226	Q219-S223 WeakPolarHBondContact O-CB 3.46Å; Q219-S223 PolarHBondContact O-N 2.86Å; L220-S223 WeakPolarHBondContact CA-OG 3.18Å; L220-S223 PolarHBondContact O-N 2.89Å; L220-S223 VanDerWaalsContact O-N 3.13Å; L220-S223 PolarHBondContact O-OG 2.91Å; L221-S223 PolarHBondContact O-N 3.37Å; S223-K226 WeakPolarHBondContact O-CB 3.35Å
224	T	52.9	Low	57.1	Low	114 Å²	114	112.7 Å²	112.7	70%	0.699	58%	0.584	S	S	*	*	H	α-helix	trans	-89.2	-27.4	176	55.8	0	0	0	0	113	L220 L221 K226	L220-T224 WeakPolarHBondContact O-CG2 3.43Å; L220-T224 PolarHBondContact O-N 3.32Å; L220-T224 PolarHBondContact O-OG1 3.06Å; L221-T224 WeakPolarHBondContact CA-OG1 3.39Å; L221-T224 PolarHBondContact O-N 2.83Å; L221-T224 PolarHBondContact O-OG1 2.97Å; L221-T224 VanDerWaalsContact O-OG1 3.09Å; T224-K226 VanDerWaalsContact C-N 3.26Å
225	M	50.7	Low	57.4	Low	142 Å²	142	112.1 Å²	112.1	70%	0.7	58%	0.579	S	S	*	*	S	Bend	trans	-89	11.8	167.8	-59.8	-173.2	83.2	0	0	112.3	L221 E227	L221-M225 HydrophobicContact CD2-SD 3.99Å; L221-M225 VanDerWaalsContact O-CB 3.22Å; L221-M225 WeakPolarHBondContact O-CB 3.42Å; L221-M225 VanDerWaalsContact O-CG 3.28Å; L221-M225 WeakPolarHBondContact O-CG 3.32Å; L221-M225 PolarHBondContact O-N 2.83Å; M225-E227 PolarHBondContact O-N 3.22Å
226	K	46.2	Very low	58.2	Low	118 Å²	118	106.5 Å²	106.5	51%	0.513	56%	0.559	S	S	.	*			trans	-55.7	109.1	168	-165.8	-177.2	-168.1	-160.1	0	106.3	A222 S223 T224 E229	A222-K226 PolarHBondContact O-N 3.03Å; S223-K226 WeakPolarHBondContact O-CB 3.35Å; T224-K226 VanDerWaalsContact C-N 3.26Å; K226-E229 VanDerWaalsContact CE-CD 3.46Å; K226-E229 WeakPolarHBondContact CE-OE1 3.26Å; K226-E229 IonicContact NZ-OE1 3.01Å; K226-E229 PolarHBondContact NZ-OE1 3.49Å; K226-E229 IonicContact NZ-OE2 2.98Å; K226-E229 PolarHBondContact NZ-OE2 2.7Å; K226-E229 VanDerWaalsContact NZ-OE2 3.13Å
227	E	51.8	Low	59.1	Low	168 Å²	168	99.9 Å²	99.9	79%	0.785	53%	0.53	S	S	*	.			trans	-47.7	135.5	176.8	-67	-173.8	141.8	0	0	107.6	M225 E229	M225-E227 PolarHBondContact O-N 3.22Å; E227-E229 PolarHBondContact O-N 3.49Å
228	P	49.4	Very low	60.4	Low	126 Å²	126	101.6 Å²	101.6	82%	0.818	54%	0.544	S	S	*	.			trans	-56.1	106.7	-175.9	23.1	-33.2	0	0	0	107.7	A230	P228-A230 PolarHBondContact O-N 3.47Å
229	E	53	Low	61.4	Low	139 Å²	139	95.2 Å²	95.2	65%	0.65	51%	0.511	S	S	*	.			trans	-54	115	-170.3	-76.4	-178	146.1	0	0	107.4	K226 E227 K231	K226-E229 VanDerWaalsContact CE-CD 3.46Å; K226-E229 WeakPolarHBondContact CE-OE1 3.26Å; K226-E229 IonicContact NZ-OE1 3.01Å; K226-E229 PolarHBondContact NZ-OE1 3.49Å; K226-E229 IonicContact NZ-OE2 2.98Å; K226-E229 PolarHBondContact NZ-OE2 2.7Å; K226-E229 VanDerWaalsContact NZ-OE2 3.13Å; E227-E229 PolarHBondContact O-N 3.49Å; E229-K231 PolarHBondContact O-N 3.43Å
230	A	55.9	Low	62.5	Low	90 Å²	90	98.7 Å²	98.7	74%	0.744	53%	0.527	S	S	*	.			trans	-54.9	109.1	-173.9	0	0	0	0	0	107.8	P228 K232	P228-A230 PolarHBondContact O-N 3.47Å; A230-K232 PolarHBondContact O-N 2.91Å
231	K	60.4	Low	63.8	Low	122 Å²	122	100.4 Å²	100.4	53%	0.53	53%	0.527	S	S	.	.			trans	-56.7	115.1	-176	-81.2	-165.8	166.9	-156.7	0	107.3	E229 T233 A265 D268	E229-K231 PolarHBondContact O-N 3.43Å; K231-T233 PolarHBondContact O-N 3.43Å; K231-T233 VanDerWaalsContact O-N 3.08Å; K231-A265 HydrophobicContact CB-CB 3.74Å; K231-A265 HydrophobicContact CD-CB 4.28Å; K231-D268 IonicContact NZ-OD2 3.37Å; K231-D268 PolarHBondContact NZ-OD2 2.62Å
232	K	62.3	Low	65.3	Low	189 Å²	189	98.7 Å²	98.7	82%	0.822	52%	0.522	S	S	*	.			trans	-58.3	118.4	178.8	-67.9	-179.8	179.7	175.9	0	108.1	A230 D234	A230-K232 PolarHBondContact O-N 2.91Å; K232-D234 PolarHBondContact O-N 3.11Å
233	T	63.9	Low	66.6	Low	62 Å²	62	98.4 Å²	98.4	38%	0.38	51%	0.514	S	S	.	.			trans	-85.6	104.2	179.8	48.4	0	0	0	0	109.8	K231 A265	K231-T233 PolarHBondContact O-N 3.43Å; K231-T233 VanDerWaalsContact O-N 3.08Å; T233-A265 HydrophobicContact CG2-CB 3.79Å
234	D	73.4	Confident	68	Low	50 Å²	50	96.5 Å²	96.5	27%	0.267	51%	0.505	S	S	.	.			trans	-74.9	164	165	-58.7	-36.5	0	0	0	110.3	K232 I236 N237 A238 R449	K232-D234 PolarHBondContact O-N 3.11Å; D234-I236 PolarHBondContact O-N 3.27Å; D234-I236 VanDerWaalsContact O-N 3.16Å; D234-N237 CarbonylContact O-C 3.52Å; D234-N237 PolarHBondContact O-N 3.19Å; D234-A238 PolarHBondContact O-N 2.71Å; D234-R449 IonicContact OD2-NE 2.68Å
235	K	72.3	Confident	69.5	Low	142 Å²	142	95.8 Å²	95.8	62%	0.617	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.6	178.6	-70	173.9	177.1	171.7	0	112.4	E452	K235-E452 WeakPolarHBondContact CD-OE1 3.24Å
236	I	75.7	Confident	71.3	Confident	30 Å²	30	90.2 Å²	90.2	15%	0.154	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.2	177.3	-51.8	170.5	0	0	0	112.1	D234 V271 E448 R449	D234-I236 PolarHBondContact O-N 3.27Å; D234-I236 VanDerWaalsContact O-N 3.16Å; I236-V271 HydrophobicContact CG2-CG1 3.66Å; I236-E448 HydrophobicContact CD1-CB 4.07Å; I236-E448 HydrophobicContact CD1-CG 3.83Å; I236-R449 HydrophobicContact CD1-CG 3.81Å
237	N	79.9	Confident	73.2	Confident	4 Å²	4	88 Å²	88	2%	0.021	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	2.7	-172.5	-158.1	36.9	0	0	0	114.2	D234 A239 I266 V271	D234-N237 CarbonylContact O-C 3.52Å; D234-N237 PolarHBondContact O-N 3.19Å; N237-A239 PolarHBondContact O-N 3.27Å; N237-I266 VanDerWaalsContact CG-O 3.27Å; N237-I266 PolarHBondContact ND2-O 3Å; N237-I266 PolarHBondContact O-N 3.16Å; N237-I266 VanDerWaalsContact OD1-C 3.28Å; N237-I266 WeakPolarHBondContact OD1-CB 3.33Å; N237-I266 PolarHBondContact OD1-O 2.76Å; N237-V271 HydrophobicContact CB-CG2 4.49Å; N237-V271 WeakPolarHBondContact OD1-CG2 3.41Å
238	A	81.9	Confident	74.9	Confident	41 Å²	41	81.5 Å²	81.5	34%	0.339	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122	178.2	0	0	0	0	0	111.2	D234 A263	D234-A238 PolarHBondContact O-N 2.71Å; A238-A263 HydrophobicContact CB-CB 4.08Å
239	A	79.8	Confident	76.9	Confident	8 Å²	8	76.2 Å²	76.2	7%	0.066	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	151.8	173.7	0	0	0	0	0	112	N237 Y241 D264 I266	N237-A239 PolarHBondContact O-N 3.27Å; A239-Y241 HydrophobicContact CB-CD1 3.83Å; A239-Y241 HydrophobicContact CB-CD2 4.45Å; A239-Y241 HydrophobicContact CB-CE1 3.64Å; A239-Y241 HydrophobicContact CB-CE2 4.3Å; A239-Y241 HydrophobicContact CB-CG 4.22Å; A239-Y241 PolarHBondContact O-N 3.31Å; A239-D264 HydrophobicContact CB-CB 4.05Å; A239-D264 WeakPolarHBondContact CB-O 3.16Å; A239-D264 PolarHBondContact N-O 2.92Å; A239-I266 HydrophobicContact CB-CD1 4.44Å; A239-I266 HydrophobicContact CB-CG1 3.84Å
240	H	81.6	Confident	78.6	Confident	204 Å²	204	78.5 Å²	78.5	94%	0.944	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	-14	170.1	-169.4	-60.1	0	0	0	112.4
241	Y	82.1	Confident	80.2	Confident	137 Å²	137	79.7 Å²	79.7	54%	0.537	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	149	178.3	63.3	-91.8	0	0	0	110.9	A239 D264	A239-Y241 HydrophobicContact CB-CD1 3.83Å; A239-Y241 HydrophobicContact CB-CD2 4.45Å; A239-Y241 HydrophobicContact CB-CE1 3.64Å; A239-Y241 HydrophobicContact CB-CE2 4.3Å; A239-Y241 HydrophobicContact CB-CG 4.22Å; A239-Y241 PolarHBondContact O-N 3.31Å; Y241-D264 HydrophobicContact CD2-CB 3.9Å; Y241-D264 HydrophobicContact CE2-CB 3.46Å; Y241-D264 VanDerWaalsContact CE2-CB 3.46Å; Y241-D264 WeakPolarHBondContact CE2-OD2 3.38Å; Y241-D264 PolarHBondContact O-N 3.18Å; Y241-D264 PolarHBondContact OH-OD2 3.4Å
242	S	85.8	Confident	81.4	Confident	53 Å²	53	75.9 Å²	75.9	37%	0.371	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	159.4	179	69.3	0	0	0	0	112.5	G244 E262	S242-G244 PolarHBondContact O-N 3.02Å; S242-G244 PolarHBondContact OG-N 3.36Å; S242-E262 CarbonylContact C-O 3.42Å; S242-E262 VanDerWaalsContact CA-O 3.24Å; S242-E262 WeakPolarHBondContact CA-O 3.31Å; S242-E262 WeakPolarHBondContact CB-O 3.42Å
243	T	82.8	Confident	82.5	Confident	60 Å²	60	74.3 Å²	74.3	37%	0.368	41%	0.406	S	S	.	.			trans	-57.9	-11	171.8	58.4	0	0	0	0	114.8	R245 E262 D264	T243-R245 PolarHBondContact O-N 2.96Å; T243-R245 VanDerWaalsContact O-N 3.11Å; T243-E262 HydrophobicContact CG2-CB 4.29Å; T243-E262 PolarHBondContact N-O 3.01Å; T243-D264 HydrophobicContact CG2-CB 4.19Å
244	G	85.9	Confident	83.5	Confident	27 Å²	27	75.9 Å²	75.9	28%	0.278	43%	0.425	S	S	.	.	S	Bend	trans	72.3	-2.5	-177.4	0	0	0	0	0	114.4	S242 V246 S247 A248	S242-G244 PolarHBondContact O-N 3.02Å; S242-G244 PolarHBondContact OG-N 3.36Å; G244-V246 VanDerWaalsContact C-N 3.33Å; G244-V246 PolarHBondContact O-N 3.1Å; G244-S247 PolarHBondContact O-N 2.6Å; G244-S247 VanDerWaalsContact O-N 3.15Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 2.66Å
245	R	85.9	Confident	83.9	Confident	99 Å²	99	78.5 Å²	78.5	37%	0.374	44%	0.437	S	S	.	.	H	α-helix	trans	-58.6	-39.4	-174.7	-165.8	170.2	72.7	90.2	-4.6	113.2	T243 A248 S249 A258 E262	T243-R245 PolarHBondContact O-N 2.96Å; T243-R245 VanDerWaalsContact O-N 3.11Å; R245-A248 PolarHBondContact O-N 2.94Å; R245-S249 VanDerWaalsContact O-CB 3.28Å; R245-S249 WeakPolarHBondContact O-CB 3.25Å; R245-S249 PolarHBondContact O-N 3.17Å; R245-S249 PolarHBondContact O-OG 3.15Å; R245-A258 HydrophobicContact CG-CB 4.15Å; R245-E262 IonicContact CZ-OE2 2.94Å; R245-E262 IonicContact NE-OE2 2.62Å; R245-E262 PolarHBondContact NE-OE2 3.42Å; R245-E262 IonicContact NH2-OE1 2.7Å; R245-E262 PolarHBondContact NH2-OE1 3.01Å; R245-E262 IonicContact NH2-OE2 3.04Å; R245-E262 PolarHBondContact NH2-OE2 2.77Å
246	V	87.9	Confident	84.6	Confident	26 Å²	26	77 Å²	77	16%	0.158	44%	0.439	C	S	.	.	H	α-helix	trans	-57.6	-56.7	173.5	177.3	0	0	0	0	110.5	G244 A248 S249 F250 A258 T260	G244-V246 VanDerWaalsContact C-N 3.33Å; G244-V246 PolarHBondContact O-N 3.1Å; V246-A248 PolarHBondContact O-N 2.98Å; V246-S249 PolarHBondContact O-N 2.87Å; V246-S249 PolarHBondContact O-OG 3.08Å; V246-F250 PolarHBondContact O-N 2.98Å; V246-A258 HydrophobicContact CG2-CB 4.39Å; V246-T260 WeakPolarHBondContact CG2-O 3.39Å
247	S	86.4	Confident	85	Confident	70 Å²	70	81 Å²	81	49%	0.49	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-42.1	179.8	-48.5	0	0	0	0	112.6	G244 F250 T251	G244-S247 PolarHBondContact O-N 2.6Å; G244-S247 VanDerWaalsContact O-N 3.15Å; S247-F250 PolarHBondContact O-N 2.84Å; S247-T251 WeakPolarHBondContact O-CG2 3.31Å; S247-T251 PolarHBondContact O-N 3.13Å; S247-T251 VanDerWaalsContact O-N 3.17Å; S247-T251 PolarHBondContact O-OG1 3.09Å; S247-T251 VanDerWaalsContact O-OG1 3.13Å
248	A	86.9	Confident	85.3	Confident	33 Å²	33	81.2 Å²	81.2	27%	0.273	47%	0.47	S	S	.	.	H	α-helix	trans	-61.9	-46.5	176.3	0	0	0	0	0	111.3	G244 R245 V246 F250 T251 S252 M255	G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 2.66Å; R245-A248 PolarHBondContact O-N 2.94Å; V246-A248 PolarHBondContact O-N 2.98Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.26Å; A248-T251 PolarHBondContact O-N 3.22Å; A248-T251 VanDerWaalsContact O-N 3.16Å; A248-T251 PolarHBondContact O-OG1 3.14Å; A248-T251 VanDerWaalsContact O-OG1 3.13Å; A248-S252 WeakPolarHBondContact O-CB 3.31Å; A248-S252 PolarHBondContact O-N 2.95Å; A248-M255 HydrophobicContact CB-SD 3.74Å
249	S	90.8	Very high	85.5	Confident	15 Å²	15	85.4 Å²	85.4	11%	0.105	49%	0.491	C	S	.	.	H	α-helix	trans	-66.3	-28	177.8	75.9	0	0	0	0	114.2	R245 V246 T256 A258	R245-S249 VanDerWaalsContact O-CB 3.28Å; R245-S249 WeakPolarHBondContact O-CB 3.25Å; R245-S249 PolarHBondContact O-N 3.17Å; R245-S249 PolarHBondContact O-OG 3.15Å; V246-S249 PolarHBondContact O-N 2.87Å; V246-S249 PolarHBondContact O-OG 3.08Å; S249-T256 WeakPolarHBondContact CB-O 3.46Å; S249-A258 PolarHBondContact OG-N 3.3Å
250	F	89.6	Confident	85.7	Confident	186 Å²	186	88.8 Å²	88.8	82%	0.816	51%	0.511	S	S	*	.	H	α-helix	trans	-72.6	-31.6	173.7	-176	-101	0	0	0	112.5	V246 S247 A248	V246-F250 PolarHBondContact O-N 2.98Å; S247-F250 PolarHBondContact O-N 2.84Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.26Å
251	T	88.5	Confident	85.8	Confident	116 Å²	116	85.5 Å²	85.5	71%	0.712	50%	0.496	S	S	*	.	H	α-helix	trans	-96.9	-17	-176.7	59.7	0	0	0	0	114.8	S247 A248	S247-T251 WeakPolarHBondContact O-CG2 3.31Å; S247-T251 PolarHBondContact O-N 3.13Å; S247-T251 VanDerWaalsContact O-N 3.17Å; S247-T251 PolarHBondContact O-OG1 3.09Å; S247-T251 VanDerWaalsContact O-OG1 3.13Å; A248-T251 PolarHBondContact O-N 3.22Å; A248-T251 VanDerWaalsContact O-N 3.16Å; A248-T251 PolarHBondContact O-OG1 3.14Å; A248-T251 VanDerWaalsContact O-OG1 3.13Å
252	S	87.3	Confident	85.9	Confident	42 Å²	42	82.5 Å²	82.5	29%	0.294	49%	0.487	S	S	.	.			trans	-111	126.3	-173.4	-177.2	0	0	0	0	112.4	A248 A254	A248-S252 WeakPolarHBondContact O-CB 3.31Å; A248-S252 PolarHBondContact O-N 2.95Å; S252-A254 PolarHBondContact O-N 3.12Å; S252-A254 PolarHBondContact OG-N 2.98Å
253	T	85.3	Confident	85.7	Confident	156 Å²	156	81.7 Å²	81.7	96%	0.957	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.1	173.1	51.6	0	0	0	0	113.9
254	A	83.4	Confident	85.5	Confident	94 Å²	94	81.4 Å²	81.4	78%	0.777	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-0.8	-176.5	0	0	0	0	0	114	S252	S252-A254 PolarHBondContact O-N 3.12Å; S252-A254 PolarHBondContact OG-N 2.98Å
255	M	82.9	Confident	85.1	Confident	105 Å²	105	81.1 Å²	81.1	52%	0.517	48%	0.475	S	S	.	.	S	Bend	trans	-109.7	150.7	179.4	-73	-175.4	173.9	0	0	111.7	A248	A248-M255 HydrophobicContact CB-SD 3.74Å
256	T	85.7	Confident	84.7	Confident	110 Å²	110	78.2 Å²	78.2	68%	0.675	47%	0.466	S	S	*	.			trans	-69.6	133	172	45.6	0	0	0	0	110.4	S249 A258	S249-T256 WeakPolarHBondContact CB-O 3.46Å; T256-A258 PolarHBondContact O-N 2.84Å
257	P	84.8	Confident	84.1	Confident	114 Å²	114	79 Å²	79	74%	0.74	48%	0.475	S	S	*	.			trans	-56.6	123.1	177.7	-27.6	35.8	0	0	0	112.2
258	A	85.8	Confident	83.3	Confident	9 Å²	9	78.5 Å²	78.5	7%	0.074	47%	0.467	C	S	.	.			trans	-110.8	122.2	177	0	0	0	0	0	109.6	R245 V246 S249 T256	R245-A258 HydrophobicContact CG-CB 4.15Å; V246-A258 HydrophobicContact CG2-CB 4.39Å; S249-A258 PolarHBondContact OG-N 3.3Å; T256-A258 PolarHBondContact O-N 2.84Å
259	T	85.7	Confident	82.5	Confident	129 Å²	129	79.6 Å²	79.6	79%	0.791	47%	0.468	S	S	*	.			trans	-102.9	-13.6	-177.2	51.7	0	0	0	0	113.7
260	T	84.9	Confident	81.7	Confident	80 Å²	80	84.3 Å²	84.3	49%	0.491	49%	0.49	S	S	.	.	S	Bend	trans	-103.6	123.7	-177.9	46.1	0	0	0	0	111.2	V246 E262	V246-T260 WeakPolarHBondContact CG2-O 3.39Å; T260-E262 PolarHBondContact O-N 3.28Å; T260-E262 PolarHBondContact OG1-OE1 2.76Å
261	H	83.6	Confident	81	Confident	134 Å²	134	75.6 Å²	75.6	62%	0.62	45%	0.452	S	S	*	.			trans	-75	113	170.7	-72.8	-82.2	0	0	0	110
262	E	83.2	Confident	80.5	Confident	75 Å²	75	71.2 Å²	71.2	35%	0.35	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-97.5	131.9	171.2	-71.3	144.2	-157.5	0	0	108.8	S242 T243 R245 T260	S242-E262 CarbonylContact C-O 3.42Å; S242-E262 VanDerWaalsContact CA-O 3.24Å; S242-E262 WeakPolarHBondContact CA-O 3.31Å; S242-E262 WeakPolarHBondContact CB-O 3.42Å; T243-E262 HydrophobicContact CG2-CB 4.29Å; T243-E262 PolarHBondContact N-O 3.01Å; R245-E262 IonicContact CZ-OE2 2.94Å; R245-E262 IonicContact NE-OE2 2.62Å; R245-E262 PolarHBondContact NE-OE2 3.42Å; R245-E262 IonicContact NH2-OE1 2.7Å; R245-E262 PolarHBondContact NH2-OE1 3.01Å; R245-E262 IonicContact NH2-OE2 3.04Å; R245-E262 PolarHBondContact NH2-OE2 2.77Å; T260-E262 PolarHBondContact O-N 3.28Å; T260-E262 PolarHBondContact OG1-OE1 2.76Å
263	A	81.8	Confident	80.2	Confident	36 Å²	36	70.8 Å²	70.8	30%	0.298	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	143.4	166.9	0	0	0	0	0	109.2	A238	A238-A263 HydrophobicContact CB-CB 4.08Å
264	D	79.3	Confident	79.7	Confident	54 Å²	54	69.6 Å²	69.6	29%	0.289	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	155.1	174	-167.3	26	0	0	0	111	A239 Y241 T243	A239-D264 HydrophobicContact CB-CB 4.05Å; A239-D264 WeakPolarHBondContact CB-O 3.16Å; A239-D264 PolarHBondContact N-O 2.92Å; Y241-D264 HydrophobicContact CD2-CB 3.9Å; Y241-D264 HydrophobicContact CE2-CB 3.46Å; Y241-D264 VanDerWaalsContact CE2-CB 3.46Å; Y241-D264 WeakPolarHBondContact CE2-OD2 3.38Å; Y241-D264 PolarHBondContact O-N 3.18Å; Y241-D264 PolarHBondContact OH-OD2 3.4Å; T243-D264 HydrophobicContact CG2-CB 4.19Å
265	A	77.9	Confident	79.4	Confident	20 Å²	20	67.8 Å²	67.8	17%	0.165	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.1	175.7	0	0	0	0	0	109.8	K231 T233	K231-A265 HydrophobicContact CB-CB 3.74Å; K231-A265 HydrophobicContact CD-CB 4.28Å; T233-A265 HydrophobicContact CG2-CB 3.79Å
266	I	77.8	Confident	79.3	Confident	39 Å²	39	63 Å²	63	20%	0.2	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-60.1	151.6	165.6	-59.6	175.5	0	0	0	108	N237 A239 D268 M270 V271	N237-I266 VanDerWaalsContact CG-O 3.27Å; N237-I266 PolarHBondContact ND2-O 3Å; N237-I266 PolarHBondContact O-N 3.16Å; N237-I266 VanDerWaalsContact OD1-C 3.28Å; N237-I266 WeakPolarHBondContact OD1-CB 3.33Å; N237-I266 PolarHBondContact OD1-O 2.76Å; A239-I266 HydrophobicContact CB-CD1 4.44Å; A239-I266 HydrophobicContact CB-CG1 3.84Å; I266-D268 PolarHBondContact O-N 3.01Å; I266-M270 HydrophobicContact CG2-CB 3.78Å; I266-M270 HydrophobicContact CG2-SD 4.46Å; I266-V271 HydrophobicContact CB-CG2 4.28Å; I266-V271 HydrophobicContact CG2-CG2 3.94Å
267	A	74.6	Confident	78.9	Confident	41 Å²	41	65.9 Å²	65.9	34%	0.339	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-70.3	131.2	172.6	0	0	0	0	0	109.4	D269 M270 V271	A267-D269 PolarHBondContact O-N 3.28Å; A267-D269 VanDerWaalsContact O-N 3.08Å; A267-M270 HydrophobicContact CB-CG 4.29Å; A267-M270 WeakPolarHBondContact O-CA 3.12Å; A267-M270 WeakPolarHBondContact O-CB 3.47Å; A267-M270 PolarHBondContact O-N 3.46Å; A267-V271 PolarHBondContact O-N 3.11Å
268	D	70.8	Confident	78.9	Confident	60 Å²	60	65.5 Å²	65.5	32%	0.321	34%	0.338	S	S	.	.	H	α-helix	trans	-52.2	-35.9	-179.8	-60.4	-90	0	0	0	112.6	K231 I266 M270 V271 R272 R449	K231-D268 IonicContact NZ-OD2 3.37Å; K231-D268 PolarHBondContact NZ-OD2 2.62Å; I266-D268 PolarHBondContact O-N 3.01Å; D268-M270 VanDerWaalsContact C-N 3.34Å; D268-M270 PolarHBondContact O-N 3.23Å; D268-V271 PolarHBondContact O-N 3.28Å; D268-R272 WeakPolarHBondContact O-CB 3.44Å; D268-R272 PolarHBondContact O-N 3.21Å; D268-R449 IonicContact OD1-CZ 3.6Å; D268-R449 IonicContact OD1-NH1 2.73Å; D268-R449 IonicContact OD1-NH2 3.25Å; D268-R449 PolarHBondContact OD1-NH2 2.82Å
269	D	69.5	Low	79.1	Confident	56 Å²	56	69 Å²	69	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-55	-43.8	171.7	-62.9	-6.6	0	0	0	112.6	A267 R272 Y273	A267-D269 PolarHBondContact O-N 3.28Å; A267-D269 VanDerWaalsContact O-N 3.08Å; D269-R272 WeakPolarHBondContact O-CB 3.41Å; D269-R272 PolarHBondContact O-N 2.93Å; D269-Y273 HydrophobicContact CB-CE2 4.26Å; D269-Y273 VanDerWaalsContact O-CD1 3.24Å; D269-Y273 WeakPolarHBondContact O-CD1 3.38Å; D269-Y273 VanDerWaalsContact O-CD2 3.23Å; D269-Y273 WeakPolarHBondContact O-CD2 3.29Å; D269-Y273 PolarHBondContact O-N 3.48Å
270	M	74	Confident	79.3	Confident	114 Å²	114	62.8 Å²	62.8	56%	0.562	31%	0.314	S	S	*	.	H	α-helix	trans	-70.6	-35.5	-179.7	-67.5	-171.9	-174.9	0	0	112.2	I266 A267 D268	I266-M270 HydrophobicContact CG2-CB 3.78Å; I266-M270 HydrophobicContact CG2-SD 4.46Å; A267-M270 HydrophobicContact CB-CG 4.29Å; A267-M270 WeakPolarHBondContact O-CA 3.12Å; A267-M270 WeakPolarHBondContact O-CB 3.47Å; A267-M270 PolarHBondContact O-N 3.46Å; D268-M270 VanDerWaalsContact C-N 3.34Å; D268-M270 PolarHBondContact O-N 3.23Å
271	V	75.1	Confident	79.7	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-52.1	171.7	174.9	0	0	0	0	109.3	I236 N237 I266 A267 D268 Y273 Q274 Y275 I445	I236-V271 HydrophobicContact CG2-CG1 3.66Å; N237-V271 HydrophobicContact CB-CG2 4.49Å; N237-V271 WeakPolarHBondContact OD1-CG2 3.41Å; I266-V271 HydrophobicContact CB-CG2 4.28Å; I266-V271 HydrophobicContact CG2-CG2 3.94Å; A267-V271 PolarHBondContact O-N 3.11Å; D268-V271 PolarHBondContact O-N 3.28Å; V271-Y273 PolarHBondContact O-N 2.79Å; V271-Q274 WeakPolarHBondContact O-CB 3.21Å; V271-Q274 PolarHBondContact O-N 2.86Å; V271-Y275 HydrophobicContact CG1-CE2 4.09Å; V271-Y275 WeakPolarHBondContact O-CD2 3.41Å; V271-I445 HydrophobicContact CG1-CD1 4.25Å
272	R	77.8	Confident	80.2	Confident	25 Å²	25	57 Å²	57	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-48	-47.3	176.5	-174.8	-169.9	-174.5	121.6	8.2	112	D268 D269 Q274 Y275 V276 E305 Y438 A441 D442 I445	D268-R272 WeakPolarHBondContact O-CB 3.44Å; D268-R272 PolarHBondContact O-N 3.21Å; D269-R272 WeakPolarHBondContact O-CB 3.41Å; D269-R272 PolarHBondContact O-N 2.93Å; R272-Q274 PolarHBondContact O-N 2.98Å; R272-Y275 PolarHBondContact O-N 2.99Å; R272-Y275 VanDerWaalsContact O-N 3.16Å; R272-V276 PolarHBondContact O-N 3.17Å; R272-E305 IonicContact CZ-OE1 3.9Å; R272-E305 IonicContact NE-OE1 2.67Å; R272-E305 PolarHBondContact NE-OE1 3.18Å; R272-E305 IonicContact NH1-OE1 3.37Å; R272-Y438 PolarHBondContact NH2-O 3.14Å; R272-A441 HydrophobicContact CG-CB 4.48Å; R272-D442 IonicContact CZ-OD1 2.71Å; R272-D442 IonicContact CZ-OD2 2.89Å; R272-D442 IonicContact NE-OD1 2.69Å; R272-D442 PolarHBondContact NE-OD1 2.94Å; R272-D442 IonicContact NH1-OD1 3.86Å; R272-D442 PolarHBondContact NH1-OD1 3.41Å; R272-D442 IonicContact NH1-OD2 3.37Å; R272-D442 PolarHBondContact NH1-OD2 3.4Å; R272-D442 IonicContact NH2-OD1 3.49Å; R272-D442 PolarHBondContact NH2-OD1 3.34Å; R272-D442 IonicContact NH2-OD2 2.88Å; R272-D442 PolarHBondContact NH2-OD2 2.9Å; R272-I445 HydrophobicContact CB-CD1 4.3Å
273	Y	79.8	Confident	80.8	Confident	33 Å²	33	56.6 Å²	56.6	13%	0.129	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-17.8	-178.1	-59.7	-18.5	0	0	0	114.8	D269 V271 P301 K302 E305 Y438	D269-Y273 HydrophobicContact CB-CE2 4.26Å; D269-Y273 VanDerWaalsContact O-CD1 3.24Å; D269-Y273 WeakPolarHBondContact O-CD1 3.38Å; D269-Y273 VanDerWaalsContact O-CD2 3.23Å; D269-Y273 WeakPolarHBondContact O-CD2 3.29Å; D269-Y273 PolarHBondContact O-N 3.48Å; V271-Y273 PolarHBondContact O-N 2.79Å; Y273-P301 HydrophobicContact CD1-CB 3.57Å; Y273-P301 HydrophobicContact CD1-CG 4.29Å; Y273-P301 HydrophobicContact CD2-CB 3.78Å; Y273-P301 HydrophobicContact CD2-CG 3.55Å; Y273-P301 HydrophobicContact CE1-CB 4Å; Y273-P301 HydrophobicContact CE2-CB 4.18Å; Y273-P301 HydrophobicContact CE2-CG 4.08Å; Y273-P301 HydrophobicContact CG-CB 3.45Å; Y273-P301 VanDerWaalsContact CG-CB 3.45Å; Y273-P301 HydrophobicContact CG-CG 3.67Å; Y273-K302 HydrophobicContact CE2-CB 4.29Å; Y273-E305 WeakPolarHBondContact CE1-OE2 3.16Å; Y273-E305 VanDerWaalsContact CZ-OE2 3.3Å; Y273-E305 PolarHBondContact OH-OE2 2.95Å; Y273-Y438 HydrophobicContact CD1-CE1 4.3Å; Y273-Y438 HydrophobicContact CE1-CE1 4.29Å
274	Q	76.3	Confident	81.4	Confident	130 Å²	130	54.9 Å²	54.9	61%	0.607	26%	0.259	S	S	*	.	H	α-helix	trans	-74.8	-26.4	174.2	-64.4	178.4	15.4	0	0	113.1	V271 R272 K277	V271-Q274 WeakPolarHBondContact O-CB 3.21Å; V271-Q274 PolarHBondContact O-N 2.86Å; R272-Q274 PolarHBondContact O-N 2.98Å; Q274-K277 WeakPolarHBondContact O-CE 3.46Å
275	Y	76.1	Confident	82.1	Confident	57 Å²	57	54.4 Å²	54.4	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-87.4	-19.4	179.4	-67.8	-105.4	0	0	0	112	V271 R272 K277 Q444 I445 E448	V271-Y275 HydrophobicContact CG1-CE2 4.09Å; V271-Y275 WeakPolarHBondContact O-CD2 3.41Å; R272-Y275 PolarHBondContact O-N 2.99Å; R272-Y275 VanDerWaalsContact O-N 3.16Å; Y275-K277 PolarHBondContact O-N 3.31Å; Y275-Q444 HydrophobicContact CD1-CB 4.4Å; Y275-I445 HydrophobicContact CD1-CG1 4.35Å; Y275-I445 HydrophobicContact CD2-CD1 3.81Å; Y275-I445 HydrophobicContact CD2-CG1 3.91Å; Y275-I445 HydrophobicContact CE1-CG1 4.36Å; Y275-I445 HydrophobicContact CE2-CD1 4.18Å; Y275-I445 HydrophobicContact CE2-CG1 3.96Å; Y275-I445 HydrophobicContact CG-CD1 4.23Å; Y275-I445 HydrophobicContact CG-CG1 4.12Å; Y275-E448 WeakPolarHBondContact CE1-OE2 3.33Å; Y275-E448 PolarHBondContact OH-OE2 3.29Å
276	V	80.9	Confident	82.9	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.03	25%	0.25	C	C	.	.			trans	-72.9	93.7	175.9	179.8	0	0	0	0	110.2	R272 C297 P437 Y438 A441	R272-V276 PolarHBondContact O-N 3.17Å; V276-C297 HydrophobicContact CG1-CB 3.65Å; V276-P437 HydrophobicContact CG1-CB 4.28Å; V276-P437 HydrophobicContact CG1-CG 4.31Å; V276-Y438 HydrophobicContact CB-CE1 4.41Å; V276-Y438 HydrophobicContact CG1-CD1 4.37Å; V276-Y438 HydrophobicContact CG1-CE1 3.96Å; V276-Y438 HydrophobicContact CG2-CD1 3.51Å; V276-Y438 HydrophobicContact CG2-CE1 3.74Å; V276-Y438 HydrophobicContact CG2-CG 4.38Å; V276-A441 HydrophobicContact CG2-CB 3.85Å
277	K	76.7	Confident	83.6	Confident	170 Å²	170	55.5 Å²	55.5	74%	0.739	26%	0.259	S	S	*	.			trans	-117.3	7.5	178.4	-62.1	173.7	-176.1	167.8	0	113.4	Q274 Y275 D298	Q274-K277 WeakPolarHBondContact O-CE 3.46Å; Y275-K277 PolarHBondContact O-N 3.31Å; K277-D298 WeakPolarHBondContact CA-OD1 3.41Å
278	K	85.3	Confident	84.4	Confident	106 Å²	106	57.3 Å²	57.3	46%	0.461	26%	0.259	S	S	.	.	S	Bend	trans	-115.5	140.8	178.1	-74.9	-179.7	177.5	172.4	0	110	D298 P437 E440	K278-D298 WeakPolarHBondContact CA-OD1 3.38Å; K278-D298 PolarHBondContact N-OD1 3.34Å; K278-D298 VanDerWaalsContact O-OD1 3.09Å; K278-P437 HydrophobicContact CB-CB 3.83Å; K278-P437 WeakPolarHBondContact O-CB 3.13Å; K278-P437 VanDerWaalsContact O-CG 3.32Å; K278-P437 WeakPolarHBondContact O-CG 3.27Å; K278-E440 VanDerWaalsContact CD-OE2 3.32Å; K278-E440 WeakPolarHBondContact CD-OE2 3.22Å; K278-E440 VanDerWaalsContact CE-OE2 3.32Å; K278-E440 WeakPolarHBondContact CE-OE2 3.4Å; K278-E440 IonicContact NZ-OE1 2.72Å; K278-E440 PolarHBondContact NZ-OE1 3.3Å; K278-E440 IonicContact NZ-OE2 2.65Å; K278-E440 PolarHBondContact NZ-OE2 3.42Å
279	K	89.6	Confident	85.5	Confident	81 Å²	81	55.8 Å²	55.8	35%	0.352	26%	0.257	S	S	.	.			trans	-70.8	141.2	170.1	-57.1	-175.3	-173.8	173.5	0	110.9	E294 L295	K279-E294 HydrophobicContact CB-CG 4.47Å; K279-E294 HydrophobicContact CD-CG 3.92Å; K279-E294 WeakPolarHBondContact CD-OE1 3.4Å; K279-E294 WeakPolarHBondContact CE-OE1 3.42Å; K279-E294 IonicContact NZ-OE1 2.69Å; K279-E294 PolarHBondContact NZ-OE1 3.44Å; K279-L295 WeakPolarHBondContact CA-O 3.5Å; K279-L295 WeakPolarHBondContact CB-O 3.25Å
280	G	90.5	Very high	86.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	154.5	171.7	0	0	0	0	0	112.1	L295 C297 V435	G280-L295 PolarHBondContact N-O 2.94Å; G280-L295 PolarHBondContact O-N 2.93Å; G280-C297 PolarHBondContact N-SG 2.77Å; G280-V435 WeakPolarHBondContact CA-O 3.03Å
281	Y	93.8	Very high	87.6	Confident	91 Å²	91	50.4 Å²	50.4	36%	0.357	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.7	173.6	-70.5	-84.3	0	0	0	110.5	L293 E294 F434 V435	Y281-L293 WeakPolarHBondContact CA-O 3.47Å; Y281-E294 HydrophobicContact CD1-CB 4.21Å; Y281-E294 HydrophobicContact CE1-CB 3.84Å; Y281-E294 HydrophobicContact CE1-CG 3.9Å; Y281-F434 PolarHBondContact O-N 2.99Å; Y281-V435 HydrophobicContact CD2-CB 4.02Å; Y281-V435 HydrophobicContact CD2-CG2 3.88Å; Y281-V435 PolarHBondContact N-O 2.91Å; Y281-V435 PolarHBondContact O-N 3.15Å
282	V	94.5	Very high	88.6	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.7	-178.6	-178.6	0	0	0	0	109.6	L284 L293 L295 F307 I308 T432 V433	V282-L284 HydrophobicContact CG1-CD2 4.13Å; V282-L293 PolarHBondContact N-O 3.42Å; V282-L293 PolarHBondContact O-N 3.37Å; V282-L295 HydrophobicContact CG2-CD1 3.7Å; V282-F307 HydrophobicContact CB-CE1 4.13Å; V282-F307 HydrophobicContact CG1-CE1 4.02Å; V282-F307 HydrophobicContact CG2-CD1 4.41Å; V282-F307 HydrophobicContact CG2-CE1 4.16Å; V282-I308 HydrophobicContact CG2-CG1 4.23Å; V282-T432 CarbonylContact C-O 3.56Å; V282-T432 WeakPolarHBondContact CA-O 3.2Å; V282-V433 HydrophobicContact CG2-CG1 4.36Å; V282-V433 HydrophobicContact CG2-CG2 4.16Å
283	R	94.6	Very high	89.4	Confident	66 Å²	66	51.2 Å²	51.2	25%	0.249	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.4	167.3	-178.5	171.5	-69.1	-172.7	16	110.3	H285 D290 L291 N292 T432 F434	R283-H285 WeakPolarHBondContact CD-CE1 3.42Å; R283-D290 WeakPolarHBondContact CD-OD2 3.43Å; R283-D290 HydrophobicContact CG-CB 4.28Å; R283-D290 IonicContact CZ-OD2 3.47Å; R283-D290 IonicContact NE-OD2 3.99Å; R283-D290 IonicContact NH1-OD2 3.3Å; R283-D290 PolarHBondContact NH1-OD2 3.18Å; R283-L291 CarbonylContact C-O 3.59Å; R283-L291 WeakPolarHBondContact CA-O 3.35Å; R283-N292 PolarHBondContact NE-OD1 2.66Å; R283-N292 PolarHBondContact NH2-OD1 3.42Å; R283-T432 PolarHBondContact N-O 3.11Å; R283-T432 PolarHBondContact O-N 2.93Å; R283-F434 HydrophobicContact CB-CD2 4.33Å; R283-F434 HydrophobicContact CB-CE2 3.59Å; R283-F434 HydrophobicContact CB-CZ 4.04Å
284	L	94.6	Very high	90.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.3	169.6	-58	-174.4	0	0	0	108	V282 L291 L293 F307 F380 L428 T431	V282-L284 HydrophobicContact CG1-CD2 4.13Å; L284-L291 HydrophobicContact CB-CB 4.24Å; L284-L291 PolarHBondContact N-O 2.91Å; L284-L291 PolarHBondContact O-N 3.24Å; L284-L293 HydrophobicContact CD1-CD1 3.52Å; L284-L293 HydrophobicContact CD1-CG 4.37Å; L284-L293 HydrophobicContact CD2-CD1 4.36Å; L284-L293 HydrophobicContact CG-CD1 3.77Å; L284-L293 HydrophobicContact CG-CG 4.42Å; L284-F307 HydrophobicContact CD2-CZ 4.18Å; L284-F380 HydrophobicContact CD1-CE2 4.41Å; L284-F380 HydrophobicContact CD1-CZ 4.29Å; L284-L428 HydrophobicContact CB-CD1 3.86Å; L284-L428 HydrophobicContact CD1-CD1 3.93Å; L284-L428 HydrophobicContact CD2-CD1 4.2Å; L284-L428 HydrophobicContact CD2-CD2 4.45Å; L284-L428 HydrophobicContact CG-CD1 4.21Å; L284-T431 HydrophobicContact CD2-CG2 3.57Å
285	H	94.9	Very high	91	Very high	45 Å²	45	43.7 Å²	43.7	21%	0.208	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.2	171.2	-66.5	-72.3	0	0	0	108.1	R283 D290 I429 S430	R283-H285 WeakPolarHBondContact CD-CE1 3.42Å; H285-D290 IonicContact CE1-OD1 3.86Å; H285-D290 IonicContact CE1-OD2 2.81Å; H285-D290 PolarHBondContact CE1-OD2 2.83Å; H285-D290 IonicContact CG-OD1 3.21Å; H285-D290 VanDerWaalsContact ND1-CG 3.33Å; H285-D290 IonicContact ND1-OD1 2.86Å; H285-D290 PolarHBondContact ND1-OD1 2.88Å; H285-D290 IonicContact ND1-OD2 2.64Å; H285-D290 PolarHBondContact ND1-OD2 2.94Å; H285-I429 PolarHBondContact O-N 3.27Å; H285-S430 PolarHBondContact CD2-OG 3.42Å; H285-S430 PolarHBondContact N-O 3.2Å; H285-S430 PolarHBondContact O-N 2.7Å
286	T	93.9	Very high	91.8	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	162.1	179.4	79.6	0	0	0	0	111.2	K288 G289 F321 K427 L428	T286-K288 PolarHBondContact O-N 3.24Å; T286-K288 PolarHBondContact OG1-N 2.94Å; T286-G289 WeakPolarHBondContact CA-O 3.02Å; T286-G289 WeakPolarHBondContact CB-O 2.92Å; T286-G289 PolarHBondContact N-O 3.15Å; T286-G289 PolarHBondContact O-N 2.92Å; T286-G289 PolarHBondContact OG1-N 3.13Å; T286-G289 PolarHBondContact OG1-O 3.35Å; T286-F321 HydrophobicContact CG2-CE2 4.43Å; T286-K427 CarbonylContact C-O 3.6Å; T286-K427 VanDerWaalsContact CA-O 3.24Å; T286-K427 WeakPolarHBondContact CA-O 3.42Å; T286-K427 WeakPolarHBondContact CB-O 3.31Å; T286-L428 HydrophobicContact CG2-CD1 4.18Å
287	N	93.4	Very high	92.2	Very high	73 Å²	73	41.9 Å²	41.9	39%	0.39	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-5	173.1	73	-28.4	0	0	0	114.6	E425 I426 K427 I429	N287-E425 PolarHBondContact ND2-O 3.23Å; N287-I426 WeakPolarHBondContact OD1-CA 3.18Å; N287-K427 PolarHBondContact N-O 3.07Å; N287-K427 PolarHBondContact OD1-N 2.86Å; N287-I429 HydrophobicContact CB-CD1 4.45Å
288	K	90.6	Very high	92.7	Very high	80 Å²	80	36.9 Å²	36.9	35%	0.348	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	2.2	172.3	-59.5	-59	-169.2	-178.4	0	113.1	T286 T406 M410 I426	T286-K288 PolarHBondContact O-N 3.24Å; T286-K288 PolarHBondContact OG1-N 2.94Å; K288-T406 HydrophobicContact CB-CG2 4.1Å; K288-M410 HydrophobicContact CB-CG 4.15Å; K288-M410 HydrophobicContact CG-CG 4.15Å; K288-I426 HydrophobicContact CG-CG2 4.36Å
289	G	92.9	Very high	92.8	Very high	27 Å²	27	35.3 Å²	35.3	28%	0.278	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-172.1	-177	0	0	0	0	0	113.7	T286	T286-G289 WeakPolarHBondContact CA-O 3.02Å; T286-G289 WeakPolarHBondContact CB-O 2.92Å; T286-G289 PolarHBondContact N-O 3.15Å; T286-G289 PolarHBondContact O-N 2.92Å; T286-G289 PolarHBondContact OG1-N 3.13Å; T286-G289 PolarHBondContact OG1-O 3.35Å
290	D	94.6	Very high	92.9	Very high	58 Å²	58	31.4 Å²	31.4	31%	0.31	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.5	-175.8	-71	-0.3	0	0	0	112.2	R283 H285 G403 T406	R283-D290 WeakPolarHBondContact CD-OD2 3.43Å; R283-D290 HydrophobicContact CG-CB 4.28Å; R283-D290 IonicContact CZ-OD2 3.47Å; R283-D290 IonicContact NE-OD2 3.99Å; R283-D290 IonicContact NH1-OD2 3.3Å; R283-D290 PolarHBondContact NH1-OD2 3.18Å; H285-D290 IonicContact CE1-OD1 3.86Å; H285-D290 IonicContact CE1-OD2 2.81Å; H285-D290 PolarHBondContact CE1-OD2 2.83Å; H285-D290 IonicContact CG-OD1 3.21Å; H285-D290 VanDerWaalsContact ND1-CG 3.33Å; H285-D290 IonicContact ND1-OD1 2.86Å; H285-D290 PolarHBondContact ND1-OD1 2.88Å; H285-D290 IonicContact ND1-OD2 2.64Å; H285-D290 PolarHBondContact ND1-OD2 2.94Å; D290-G403 WeakPolarHBondContact O-CA 3.48Å; D290-T406 PolarHBondContact O-OG1 2.83Å
291	L	94.6	Very high	92.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.1	168.9	-80.2	168.1	0	0	0	110.4	R283 L284 I382 V400 G403 T406 L407 M410	R283-L291 CarbonylContact C-O 3.59Å; R283-L291 WeakPolarHBondContact CA-O 3.35Å; L284-L291 HydrophobicContact CB-CB 4.24Å; L284-L291 PolarHBondContact N-O 2.91Å; L284-L291 PolarHBondContact O-N 3.24Å; L291-I382 HydrophobicContact CD1-CD1 4.38Å; L291-V400 HydrophobicContact CD2-CG1 3.98Å; L291-G403 WeakPolarHBondContact CD2-O 3.24Å; L291-T406 HydrophobicContact CD1-CG2 4.38Å; L291-T406 HydrophobicContact CG-CG2 3.99Å; L291-L407 HydrophobicContact CD2-CB 4.09Å; L291-M410 HydrophobicContact CD1-CE 4.3Å; L291-M410 HydrophobicContact CD1-SD 3.7Å
292	N	95.3	Very high	92.7	Very high	44 Å²	44	29.7 Å²	29.7	24%	0.235	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.6	174.3	-67.3	-41.7	0	0	0	109.9	R283 V400 V401 G402	R283-N292 PolarHBondContact NE-OD1 2.66Å; R283-N292 PolarHBondContact NH2-OD1 3.42Å; N292-V400 WeakPolarHBondContact O-CA 3.38Å; N292-V401 HydrophobicContact CB-CG2 3.96Å; N292-V401 WeakPolarHBondContact O-CG2 3.19Å; N292-V401 PolarHBondContact O-N 3Å; N292-G402 PolarHBondContact N-O 3.42Å; N292-G402 PolarHBondContact O-N 2.73Å
293	L	95.3	Very high	92.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.5	-178.9	-57	178	0	0	0	110.9	Y281 V282 L284 L295 F307 L366 R399 V400	Y281-L293 WeakPolarHBondContact CA-O 3.47Å; V282-L293 PolarHBondContact N-O 3.42Å; V282-L293 PolarHBondContact O-N 3.37Å; L284-L293 HydrophobicContact CD1-CD1 3.52Å; L284-L293 HydrophobicContact CD1-CG 4.37Å; L284-L293 HydrophobicContact CD2-CD1 4.36Å; L284-L293 HydrophobicContact CG-CD1 3.77Å; L284-L293 HydrophobicContact CG-CG 4.42Å; L293-L295 HydrophobicContact CB-CD2 4.39Å; L293-F307 HydrophobicContact CD1-CE1 4.07Å; L293-F307 HydrophobicContact CD1-CZ 3.76Å; L293-L366 HydrophobicContact CD1-CD1 4.5Å; L293-L366 HydrophobicContact CD1-CD2 3.82Å; L293-L366 HydrophobicContact CD2-CD2 4.35Å; L293-L366 HydrophobicContact CG-CD2 4.46Å; L293-R399 WeakPolarHBondContact CA-O 3.45Å; L293-V400 HydrophobicContact CD2-CB 4.41Å; L293-V400 HydrophobicContact CD2-CG2 3.72Å
294	E	94.8	Very high	92.4	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.023	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.4	167.3	177.4	-168	151.7	0	0	108.5	K279 Y281 H296 G398 R399 V401	K279-E294 HydrophobicContact CB-CG 4.47Å; K279-E294 HydrophobicContact CD-CG 3.92Å; K279-E294 WeakPolarHBondContact CD-OE1 3.4Å; K279-E294 WeakPolarHBondContact CE-OE1 3.42Å; K279-E294 IonicContact NZ-OE1 2.69Å; K279-E294 PolarHBondContact NZ-OE1 3.44Å; Y281-E294 HydrophobicContact CD1-CB 4.21Å; Y281-E294 HydrophobicContact CE1-CB 3.84Å; Y281-E294 HydrophobicContact CE1-CG 3.9Å; E294-H296 IonicContact OE1-CE1 3.84Å; E294-H296 PolarHBondContact OE1-CE1 3.11Å; E294-H296 IonicContact OE1-ND1 3.78Å; E294-G398 CarbonylContact O-C 3.59Å; E294-G398 WeakPolarHBondContact O-CA 3.35Å; E294-R399 HydrophobicContact CB-CG 4.18Å; E294-R399 PolarHBondContact N-O 2.89Å; E294-R399 PolarHBondContact O-N 3.24Å; E294-R399 IonicContact OE1-CZ 3.73Å; E294-R399 IonicContact OE1-NE 3.76Å; E294-R399 IonicContact OE1-NH2 3.44Å; E294-R399 PolarHBondContact OE1-NH2 3.32Å; E294-R399 IonicContact OE2-CZ 2.73Å; E294-R399 IonicContact OE2-NE 3.01Å; E294-R399 PolarHBondContact OE2-NE 2.86Å; E294-R399 IonicContact OE2-NH2 3.53Å; E294-R399 PolarHBondContact OE2-NH2 3.36Å; E294-V401 HydrophobicContact CB-CG1 3.54Å; E294-V401 HydrophobicContact CB-CG2 4.31Å; E294-V401 HydrophobicContact CG-CG1 4.47Å; E294-V401 VanDerWaalsContact OE2-CG1 3.26Å; E294-V401 WeakPolarHBondContact OE2-CG1 3.31Å
295	L	94.3	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.6	-176.4	-54.4	-179.4	0	0	0	110.9	K279 G280 V282 L293 C297 F307 I308 L366 F397	K279-L295 WeakPolarHBondContact CA-O 3.5Å; K279-L295 WeakPolarHBondContact CB-O 3.25Å; G280-L295 PolarHBondContact N-O 2.94Å; G280-L295 PolarHBondContact O-N 2.93Å; V282-L295 HydrophobicContact CG2-CD1 3.7Å; L293-L295 HydrophobicContact CB-CD2 4.39Å; L295-C297 VanDerWaalsContact C-N 3.25Å; L295-C297 PolarHBondContact O-N 2.96Å; L295-C297 VanDerWaalsContact O-N 3.09Å; L295-F307 HydrophobicContact CD1-CD1 3.67Å; L295-F307 HydrophobicContact CD1-CE1 4.2Å; L295-F307 HydrophobicContact CD2-CD1 4.2Å; L295-F307 HydrophobicContact CD2-CE1 4.31Å; L295-I308 HydrophobicContact CD1-CD1 3.98Å; L295-I308 HydrophobicContact CD1-CG1 3.64Å; L295-L366 HydrophobicContact CD2-CD2 3.67Å; L295-F397 HydrophobicContact CD2-CD2 3.92Å; L295-F397 HydrophobicContact CD2-CE2 3.87Å
296	H	93.1	Very high	92.1	Very high	23 Å²	23	24.4 Å²	24.4	11%	0.106	13%	0.127	C	C	.	.			trans	-89.2	55.2	-177.4	-64	-33	0	0	0	112.2	E294 D298 K299 V300 L358 F397	E294-H296 IonicContact OE1-CE1 3.84Å; E294-H296 PolarHBondContact OE1-CE1 3.11Å; E294-H296 IonicContact OE1-ND1 3.78Å; H296-D298 VanDerWaalsContact C-N 3.29Å; H296-D298 PolarHBondContact O-N 3.21Å; H296-K299 HydrophobicContact CB-CB 4.43Å; H296-K299 PolarHBondContact O-N 3.09Å; H296-V300 PolarHBondContact O-N 3.33Å; H296-L358 HydrophobicContact CB-CD1 4.45Å; H296-L358 VanDerWaalsContact CD2-CD2 3.42Å; H296-L358 WeakPolarHBondContact CD2-CD2 3.44Å; H296-F397 PolarHBondContact N-O 3.31Å
297	C	88.3	Confident	92.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-42.9	-176.9	-58.3	0	0	0	0	113.1	V276 G280 L295 K299 V300 P301 P437 Y438	V276-C297 HydrophobicContact CG1-CB 3.65Å; G280-C297 PolarHBondContact N-SG 2.77Å; L295-C297 VanDerWaalsContact C-N 3.25Å; L295-C297 PolarHBondContact O-N 2.96Å; L295-C297 VanDerWaalsContact O-N 3.09Å; C297-K299 VanDerWaalsContact C-N 3.25Å; C297-K299 PolarHBondContact O-N 2.73Å; C297-V300 CarbonylContact O-C 3.49Å; C297-V300 PolarHBondContact O-N 2.76Å; C297-P301 WeakPolarHBondContact O-CA 3.39Å; C297-P301 WeakPolarHBondContact O-CB 3.2Å; C297-P437 HydrophobicContact CB-CG 3.86Å; C297-Y438 HydrophobicContact CB-CE2 4.16Å; C297-Y438 WeakPolarHBondContact CB-OH 3.49Å
298	D	87.5	Confident	92.1	Very high	66 Å²	66	20.5 Å²	20.5	35%	0.353	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.2	178.4	-20.4	-49.4	0	0	0	113.5	K277 K278 H296	K277-D298 WeakPolarHBondContact CA-OD1 3.41Å; K278-D298 WeakPolarHBondContact CA-OD1 3.38Å; K278-D298 PolarHBondContact N-OD1 3.34Å; K278-D298 VanDerWaalsContact O-OD1 3.09Å; H296-D298 VanDerWaalsContact C-N 3.29Å; H296-D298 PolarHBondContact O-N 3.21Å
299	K	87.8	Confident	92.2	Very high	72 Å²	72	19.4 Å²	19.4	31%	0.313	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-38.4	-177.1	-72.4	-177.9	-179.9	175.6	0	111.9	H296 C297 P301 R355 N357 L358	H296-K299 HydrophobicContact CB-CB 4.43Å; H296-K299 PolarHBondContact O-N 3.09Å; C297-K299 VanDerWaalsContact C-N 3.25Å; C297-K299 PolarHBondContact O-N 2.73Å; K299-P301 VanDerWaalsContact C-CD 3.46Å; K299-R355 HydrophobicContact CB-CG 4.36Å; K299-R355 VanDerWaalsContact O-CZ 3.26Å; K299-R355 PolarHBondContact O-NE 2.89Å; K299-R355 PolarHBondContact O-NH2 2.88Å; K299-N357 PolarHBondContact NZ-O 3.43Å; K299-L358 HydrophobicContact CB-CD1 4.04Å; K299-L358 HydrophobicContact CD-CD1 3.72Å; K299-L358 HydrophobicContact CD-CD2 3.99Å; K299-L358 HydrophobicContact CD-CG 3.8Å
300	V	90.9	Very high	92.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-132.7	61.9	-166.7	-166	0	0	0	0	108.7	H296 C297 K302 A303 G304 E353 R355 L358 T395 V396 F397	H296-V300 PolarHBondContact O-N 3.33Å; C297-V300 CarbonylContact O-C 3.49Å; C297-V300 PolarHBondContact O-N 2.76Å; V300-K302 VanDerWaalsContact C-N 3.32Å; V300-K302 PolarHBondContact O-N 3.47Å; V300-A303 HydrophobicContact CG1-CB 3.64Å; V300-G304 PolarHBondContact O-N 2.82Å; V300-E353 VanDerWaalsContact C-OE2 3.25Å; V300-E353 HydrophobicContact CG1-CB 3.72Å; V300-R355 HydrophobicContact CG2-CG 4.37Å; V300-L358 HydrophobicContact CG2-CD1 3.49Å; V300-L358 VanDerWaalsContact CG2-CD1 3.49Å; V300-T395 HydrophobicContact CG1-CG2 3.38Å; V300-V396 WeakPolarHBondContact CG2-O 3.45Å; V300-F397 HydrophobicContact CB-CB 4.4Å; V300-F397 HydrophobicContact CG1-CB 4Å
301	P	89.9	Confident	92.1	Very high	11 Å²	11	15.8 Å²	15.8	7%	0.071	8%	0.075	C	C	.	.	H	α-helix	trans	-68	-32.7	-165.7	28.1	-36.4	0	0	0	112.2	Y273 C297 K299 E305 E353 Y438	Y273-P301 HydrophobicContact CD1-CB 3.57Å; Y273-P301 HydrophobicContact CD1-CG 4.29Å; Y273-P301 HydrophobicContact CD2-CB 3.78Å; Y273-P301 HydrophobicContact CD2-CG 3.55Å; Y273-P301 HydrophobicContact CE1-CB 4Å; Y273-P301 HydrophobicContact CE2-CB 4.18Å; Y273-P301 HydrophobicContact CE2-CG 4.08Å; Y273-P301 HydrophobicContact CG-CB 3.45Å; Y273-P301 VanDerWaalsContact CG-CB 3.45Å; Y273-P301 HydrophobicContact CG-CG 3.67Å; C297-P301 WeakPolarHBondContact O-CA 3.39Å; C297-P301 WeakPolarHBondContact O-CB 3.2Å; K299-P301 VanDerWaalsContact C-CD 3.46Å; P301-E305 WeakPolarHBondContact O-CB 3.16Å; P301-E305 PolarHBondContact O-N 3.25Å; P301-E353 WeakPolarHBondContact CD-OE2 3.19Å; P301-Y438 WeakPolarHBondContact CA-OH 3.33Å; P301-Y438 HydrophobicContact CB-CE1 4.48Å; P301-Y438 PolarHBondContact O-OH 3.09Å
302	K	90.4	Very high	91.9	Very high	44 Å²	44	20.3 Å²	20.3	19%	0.191	9%	0.094	C	C	.	.	H	α-helix	trans	-75.2	-40.7	-176.4	-163.4	161.7	-171.3	154.3	0	111.9	Y273 V300 N306 W346 F350 E353	Y273-K302 HydrophobicContact CE2-CB 4.29Å; V300-K302 VanDerWaalsContact C-N 3.32Å; V300-K302 PolarHBondContact O-N 3.47Å; K302-N306 VanDerWaalsContact O-CB 3.3Å; K302-N306 WeakPolarHBondContact O-CB 3.24Å; K302-N306 PolarHBondContact O-N 2.8Å; K302-N306 VanDerWaalsContact O-N 3.09Å; K302-W346 HydrophobicContact CD-CH2 4.18Å; K302-W346 HydrophobicContact CD-CZ3 4.4Å; K302-W346 HydrophobicContact CG-CH2 3.38Å; K302-W346 HydrophobicContact CG-CZ2 4.1Å; K302-W346 HydrophobicContact CG-CZ3 3.81Å; K302-W346 WeakPolarHBondContact O-CH2 3.42Å; K302-F350 HydrophobicContact CB-CD2 4.41Å; K302-F350 HydrophobicContact CD-CB 4.09Å; K302-F350 HydrophobicContact CD-CD2 4.26Å; K302-F350 HydrophobicContact CD-CG 4.46Å; K302-F350 HydrophobicContact CG-CB 4.48Å; K302-F350 HydrophobicContact CG-CD2 3.93Å; K302-F350 HydrophobicContact CG-CG 4.34Å; K302-E353 WeakPolarHBondContact CB-OE1 3.41Å; K302-E353 WeakPolarHBondContact CB-OE2 3.44Å; K302-E353 PolarHBondContact N-OE2 3.12Å
303	A	91.8	Very high	91.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.3	-40.9	174.3	0	0	0	0	0	111.8	V300 N306 F307 F350 M368 T395 F397	V300-A303 HydrophobicContact CG1-CB 3.64Å; A303-N306 PolarHBondContact O-N 2.76Å; A303-F307 WeakPolarHBondContact O-CB 3.46Å; A303-F307 PolarHBondContact O-N 3.28Å; A303-F350 HydrophobicContact CB-CE2 3.94Å; A303-F350 HydrophobicContact CB-CZ 4.15Å; A303-M368 HydrophobicContact CB-CG 4.09Å; A303-T395 HydrophobicContact CB-CG2 4.01Å; A303-F397 HydrophobicContact CB-CB 3.69Å; A303-F397 HydrophobicContact CB-CG 4.13Å
304	G	91.6	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-45.1	177.1	0	0	0	0	0	113	V300 F307 I308	V300-G304 PolarHBondContact O-N 2.82Å; G304-F307 PolarHBondContact O-N 2.84Å; G304-I308 WeakPolarHBondContact O-CG1 3.33Å; G304-I308 PolarHBondContact O-N 3.39Å
305	E	90.9	Very high	91.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-44.8	177	-178.6	178	-147	0	0	111.6	R272 Y273 P301 F307 I308 R309 W346 Y438	R272-E305 IonicContact CZ-OE1 3.9Å; R272-E305 IonicContact NE-OE1 2.67Å; R272-E305 PolarHBondContact NE-OE1 3.18Å; R272-E305 IonicContact NH1-OE1 3.37Å; Y273-E305 WeakPolarHBondContact CE1-OE2 3.16Å; Y273-E305 VanDerWaalsContact CZ-OE2 3.3Å; Y273-E305 PolarHBondContact OH-OE2 2.95Å; P301-E305 WeakPolarHBondContact O-CB 3.16Å; P301-E305 PolarHBondContact O-N 3.25Å; E305-F307 VanDerWaalsContact C-N 3.33Å; E305-F307 PolarHBondContact O-N 3.24Å; E305-I308 PolarHBondContact O-N 2.87Å; E305-R309 HydrophobicContact CG-CG 4.16Å; E305-R309 VanDerWaalsContact O-CB 3.31Å; E305-R309 WeakPolarHBondContact O-CB 3.33Å; E305-R309 VanDerWaalsContact O-CG 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.16Å; E305-R309 PolarHBondContact O-N 3.34Å; E305-R309 IonicContact OE1-CZ 3.83Å; E305-R309 IonicContact OE1-NE 3.17Å; E305-R309 PolarHBondContact OE1-NE 3.02Å; E305-R309 IonicContact OE1-NH1 3.54Å; E305-R309 PolarHBondContact OE1-NH1 2.94Å; E305-R309 IonicContact OE1-NH2 2.74Å; E305-R309 PolarHBondContact OE1-NH2 3.29Å; E305-W346 WeakPolarHBondContact OE2-CZ2 3.49Å; E305-Y438 HydrophobicContact CB-CD1 4.26Å; E305-Y438 HydrophobicContact CB-CD2 4.48Å; E305-Y438 HydrophobicContact CB-CE1 3.84Å; E305-Y438 HydrophobicContact CB-CE2 4.07Å; E305-Y438 HydrophobicContact CG-CD1 4.47Å; E305-Y438 PolarHBondContact N-OH 2.91Å; E305-Y438 VanDerWaalsContact N-OH 3.13Å
306	N	93.2	Very high	91.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-54.9	-50	175.3	-179.1	71.8	0	0	0	111.1	K302 A303 L310 S344 F345 W346 F350 K377	K302-N306 VanDerWaalsContact O-CB 3.3Å; K302-N306 WeakPolarHBondContact O-CB 3.24Å; K302-N306 PolarHBondContact O-N 2.8Å; K302-N306 VanDerWaalsContact O-N 3.09Å; A303-N306 PolarHBondContact O-N 2.76Å; N306-L310 WeakPolarHBondContact O-CB 3.39Å; N306-L310 WeakPolarHBondContact O-CG 3.23Å; N306-L310 PolarHBondContact O-N 2.96Å; N306-S344 WeakPolarHBondContact OD1-CA 3.01Å; N306-S344 WeakPolarHBondContact OD1-CB 3.26Å; N306-F345 PolarHBondContact OD1-N 3.41Å; N306-W346 HydrophobicContact CB-CH2 4.01Å; N306-W346 HydrophobicContact CB-CZ3 3.76Å; N306-F350 HydrophobicContact CB-CE1 4.01Å; N306-F350 HydrophobicContact CB-CZ 4.16Å; N306-K377 PolarHBondContact ND2-O 3.19Å
307	F	94	Very high	91.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-47.7	-179.2	-172.8	-96.5	0	0	0	112.6	V282 L284 L293 L295 A303 G304 E305 R309 L310 C311 Y316 F380 F397	V282-F307 HydrophobicContact CB-CE1 4.13Å; V282-F307 HydrophobicContact CG1-CE1 4.02Å; V282-F307 HydrophobicContact CG2-CD1 4.41Å; V282-F307 HydrophobicContact CG2-CE1 4.16Å; L284-F307 HydrophobicContact CD2-CZ 4.18Å; L293-F307 HydrophobicContact CD1-CE1 4.07Å; L293-F307 HydrophobicContact CD1-CZ 3.76Å; L295-F307 HydrophobicContact CD1-CD1 3.67Å; L295-F307 HydrophobicContact CD1-CE1 4.2Å; L295-F307 HydrophobicContact CD2-CD1 4.2Å; L295-F307 HydrophobicContact CD2-CE1 4.31Å; A303-F307 WeakPolarHBondContact O-CB 3.46Å; A303-F307 PolarHBondContact O-N 3.28Å; G304-F307 PolarHBondContact O-N 2.84Å; E305-F307 VanDerWaalsContact C-N 3.33Å; E305-F307 PolarHBondContact O-N 3.24Å; F307-R309 PolarHBondContact O-N 3.11Å; F307-L310 PolarHBondContact O-N 3.27Å; F307-C311 PolarHBondContact O-N 3.41Å; F307-C311 PolarHBondContact O-SG 3.23Å; F307-Y316 AromaticContact CD2-CE2 3.88Å; F307-Y316 HydrophobicContact CD2-CE2 3.88Å; F307-Y316 AromaticContact CE2-CE2 3.98Å; F307-Y316 HydrophobicContact CE2-CE2 3.98Å; F307-F380 HydrophobicContact CD2-CD1 4.33Å; F307-F380 AromaticContact CE2-CD1 3.83Å; F307-F380 HydrophobicContact CE2-CD1 3.83Å; F307-F380 AromaticContact CE2-CE1 3.79Å; F307-F380 HydrophobicContact CE2-CE1 3.79Å; F307-F380 HydrophobicContact CE2-CG 4.27Å; F307-F380 HydrophobicContact CE2-CZ 4.18Å; F307-F397 HydrophobicContact CB-CD2 4.42Å; F307-F397 HydrophobicContact CB-CE2 3.73Å; F307-F397 HydrophobicContact CB-CZ 4.37Å; F307-F397 HydrophobicContact CD1-CE2 4.06Å; F307-F397 AromaticContact CD2-CE2 3.71Å; F307-F397 HydrophobicContact CD2-CE2 3.71Å; F307-F397 AromaticContact CD2-CZ 3.7Å; F307-F397 HydrophobicContact CD2-CZ 3.7Å; F307-F397 HydrophobicContact CE2-CE2 4.29Å; F307-F397 HydrophobicContact CE2-CZ 4.13Å; F307-F397 AromaticContact CG-CE2 3.56Å; F307-F397 HydrophobicContact CG-CE2 3.56Å; F307-F397 HydrophobicContact CG-CZ 4.06Å
308	I	92.6	Very high	91.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-44.3	179.2	-71.2	-173.9	0	0	0	111.3	V282 L295 G304 E305 L310 C311 K312 V433 D436 Y438	V282-I308 HydrophobicContact CG2-CG1 4.23Å; L295-I308 HydrophobicContact CD1-CD1 3.98Å; L295-I308 HydrophobicContact CD1-CG1 3.64Å; G304-I308 WeakPolarHBondContact O-CG1 3.33Å; G304-I308 PolarHBondContact O-N 3.39Å; E305-I308 PolarHBondContact O-N 2.87Å; I308-L310 PolarHBondContact O-N 2.88Å; I308-C311 WeakPolarHBondContact O-CB 3.33Å; I308-C311 PolarHBondContact O-N 3.15Å; I308-K312 PolarHBondContact O-N 2.92Å; I308-V433 HydrophobicContact CG2-CG1 4.09Å; I308-V433 HydrophobicContact CG2-CG2 4.31Å; I308-D436 HydrophobicContact CG2-CB 4.42Å; I308-D436 WeakPolarHBondContact CG2-OD2 3.48Å; I308-Y438 HydrophobicContact CD1-CD2 4.04Å; I308-Y438 HydrophobicContact CD1-CE2 3.9Å
309	R	91.8	Very high	91.7	Very high	57 Å²	57	31.5 Å²	31.5	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-32.2	179.4	-70.1	-177.6	168.2	-178.1	-2	113.2	E305 F307 K313 F345	E305-R309 HydrophobicContact CG-CG 4.16Å; E305-R309 VanDerWaalsContact O-CB 3.31Å; E305-R309 WeakPolarHBondContact O-CB 3.33Å; E305-R309 VanDerWaalsContact O-CG 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.16Å; E305-R309 PolarHBondContact O-N 3.34Å; E305-R309 IonicContact OE1-CZ 3.83Å; E305-R309 IonicContact OE1-NE 3.17Å; E305-R309 PolarHBondContact OE1-NE 3.02Å; E305-R309 IonicContact OE1-NH1 3.54Å; E305-R309 PolarHBondContact OE1-NH1 2.94Å; E305-R309 IonicContact OE1-NH2 2.74Å; E305-R309 PolarHBondContact OE1-NH2 3.29Å; F307-R309 PolarHBondContact O-N 3.11Å; R309-K313 WeakPolarHBondContact O-CB 3.37Å; R309-K313 WeakPolarHBondContact O-CG 3.17Å; R309-K313 PolarHBondContact O-N 3.23Å; R309-K313 VanDerWaalsContact O-N 3.14Å; R309-F345 HydrophobicContact CB-CB 4.48Å; R309-F345 HydrophobicContact CB-CD2 3.38Å; R309-F345 HydrophobicContact CB-CE2 3.71Å; R309-F345 HydrophobicContact CB-CG 3.97Å; R309-F345 HydrophobicContact CG-CD2 4.2Å; R309-F345 HydrophobicContact CG-CE2 4.18Å
310	L	93.3	Very high	92	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-70	-38.6	172.4	-71	172.9	0	0	0	111.4	N306 F307 I308 K313 S314 Y315 Y316	N306-L310 WeakPolarHBondContact O-CB 3.39Å; N306-L310 WeakPolarHBondContact O-CG 3.23Å; N306-L310 PolarHBondContact O-N 2.96Å; F307-L310 PolarHBondContact O-N 3.27Å; I308-L310 PolarHBondContact O-N 2.88Å; L310-K313 PolarHBondContact O-N 3.5Å; L310-S314 PolarHBondContact O-N 2.95Å; L310-Y315 HydrophobicContact CB-CD1 4.44Å; L310-Y315 HydrophobicContact CD1-CD1 4.47Å; L310-Y315 HydrophobicContact CD2-CD1 3.85Å; L310-Y315 HydrophobicContact CD2-CD2 4.05Å; L310-Y315 HydrophobicContact CD2-CE1 4.33Å; L310-Y315 HydrophobicContact CD2-CE2 4.49Å; L310-Y315 HydrophobicContact CD2-CG 3.69Å; L310-Y315 HydrophobicContact CG-CD1 4.47Å; L310-Y315 VanDerWaalsContact O-CB 3.29Å; L310-Y315 WeakPolarHBondContact O-CB 3.44Å; L310-Y315 PolarHBondContact O-N 3.23Å; L310-Y316 HydrophobicContact CB-CD2 4.09Å; L310-Y316 HydrophobicContact CB-CE2 3.5Å; L310-Y316 HydrophobicContact CD1-CE2 4.32Å; L310-Y316 WeakPolarHBondContact CD1-OH 3.28Å
311	C	92.3	Very high	92.1	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-49.4	171.2	-64.5	0	0	0	0	111.6	F307 I308 K313 S314 T431 V433	F307-C311 PolarHBondContact O-N 3.41Å; F307-C311 PolarHBondContact O-SG 3.23Å; I308-C311 WeakPolarHBondContact O-CB 3.33Å; I308-C311 PolarHBondContact O-N 3.15Å; C311-K313 PolarHBondContact O-N 2.97Å; C311-S314 PolarHBondContact O-N 2.8Å; C311-T431 VanDerWaalsContact CA-OG1 3.28Å; C311-T431 WeakPolarHBondContact CA-OG1 3.36Å; C311-T431 HydrophobicContact CB-CG2 4.47Å; C311-T431 WeakPolarHBondContact CB-OG1 3.48Å; C311-T431 PolarHBondContact O-OG1 3.29Å; C311-V433 HydrophobicContact CB-CG2 3.81Å
312	K	90.8	Very high	92.2	Very high	95 Å²	95	30.2 Å²	30.2	41%	0.413	16%	0.156	S	C	.	.	H	α-helix	trans	-61.3	-24	177.1	-83.8	-174.2	161.8	173.8	0	114.6	I308 S314 V433 D436 E439	I308-K312 PolarHBondContact O-N 2.92Å; K312-S314 VanDerWaalsContact C-N 3.32Å; K312-V433 HydrophobicContact CG-CG2 4.16Å; K312-D436 WeakPolarHBondContact CE-OD2 3.42Å; K312-D436 IonicContact NZ-OD2 2.67Å; K312-D436 PolarHBondContact NZ-OD2 2.83Å; K312-E439 IonicContact NZ-OE1 3.73Å; K312-E439 PolarHBondContact NZ-OE1 2.88Å; K312-E439 IonicContact NZ-OE2 2.84Å; K312-E439 PolarHBondContact NZ-OE2 3.35Å
313	K	90.9	Very high	92.3	Very high	127 Å²	127	32.3 Å²	32.3	55%	0.552	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	3	173.6	-81.6	178.9	163.3	176.5	0	113.7	R309 L310 C311 Y315 F345	R309-K313 WeakPolarHBondContact O-CB 3.37Å; R309-K313 WeakPolarHBondContact O-CG 3.17Å; R309-K313 PolarHBondContact O-N 3.23Å; R309-K313 VanDerWaalsContact O-N 3.14Å; L310-K313 PolarHBondContact O-N 3.5Å; C311-K313 PolarHBondContact O-N 2.97Å; K313-Y315 PolarHBondContact O-N 3.37Å; K313-Y315 VanDerWaalsContact O-N 3.11Å; K313-F345 HydrophobicContact CD-CD2 4.02Å; K313-F345 HydrophobicContact CD-CE2 3.92Å; K313-F345 VanDerWaalsContact CE-CE2 3.4Å
314	S	91.3	Very high	92.4	Very high	66 Å²	66	32.4 Å²	32.4	46%	0.462	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	24.3	-170	-80.2	0	0	0	0	113.6	L310 C311 K312 Y316 D317	L310-S314 PolarHBondContact O-N 2.95Å; C311-S314 PolarHBondContact O-N 2.8Å; K312-S314 VanDerWaalsContact C-N 3.32Å; S314-Y316 PolarHBondContact O-N 3.09Å; S314-D317 WeakPolarHBondContact CB-OD2 3.48Å; S314-D317 WeakPolarHBondContact O-CB 3.22Å; S314-D317 PolarHBondContact O-N 2.69Å; S314-D317 VanDerWaalsContact O-N 3.14Å; S314-D317 PolarHBondContact OG-OD2 3.46Å
315	Y	92.4	Very high	92.3	Very high	68 Å²	68	34.5 Å²	34.5	27%	0.267	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.7	-174.9	-176.7	-92.7	0	0	0	113	L310 K313 P335 E343	L310-Y315 HydrophobicContact CB-CD1 4.44Å; L310-Y315 HydrophobicContact CD1-CD1 4.47Å; L310-Y315 HydrophobicContact CD2-CD1 3.85Å; L310-Y315 HydrophobicContact CD2-CD2 4.05Å; L310-Y315 HydrophobicContact CD2-CE1 4.33Å; L310-Y315 HydrophobicContact CD2-CE2 4.49Å; L310-Y315 HydrophobicContact CD2-CG 3.69Å; L310-Y315 HydrophobicContact CG-CD1 4.47Å; L310-Y315 VanDerWaalsContact O-CB 3.29Å; L310-Y315 WeakPolarHBondContact O-CB 3.44Å; L310-Y315 PolarHBondContact O-N 3.23Å; K313-Y315 PolarHBondContact O-N 3.37Å; K313-Y315 VanDerWaalsContact O-N 3.11Å; Y315-P335 HydrophobicContact CD1-CG 4.1Å; Y315-P335 HydrophobicContact CE1-CG 3.4Å; Y315-P335 VanDerWaalsContact CE1-CG 3.4Å; Y315-P335 HydrophobicContact CE2-CG 4.15Å; Y315-P335 VanDerWaalsContact CZ-CG 3.45Å; Y315-E343 PolarHBondContact OH-N 2.87Å
316	Y	93.6	Very high	92.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5	-179.6	-62.4	-60.4	0	0	0	113.3	F307 L310 S314 G318 T319 S378 F380 L428	F307-Y316 AromaticContact CD2-CE2 3.88Å; F307-Y316 HydrophobicContact CD2-CE2 3.88Å; F307-Y316 AromaticContact CE2-CE2 3.98Å; F307-Y316 HydrophobicContact CE2-CE2 3.98Å; L310-Y316 HydrophobicContact CB-CD2 4.09Å; L310-Y316 HydrophobicContact CB-CE2 3.5Å; L310-Y316 HydrophobicContact CD1-CE2 4.32Å; L310-Y316 WeakPolarHBondContact CD1-OH 3.28Å; S314-Y316 PolarHBondContact O-N 3.09Å; Y316-G318 PolarHBondContact O-N 3.15Å; Y316-T319 WeakPolarHBondContact O-CB 3.47Å; Y316-T319 WeakPolarHBondContact O-CG2 3.5Å; Y316-T319 PolarHBondContact O-N 3.06Å; Y316-T319 VanDerWaalsContact O-N 3.1Å; Y316-T319 PolarHBondContact O-OG1 3.33Å; Y316-S378 WeakPolarHBondContact CE1-O 3.47Å; Y316-S378 PolarHBondContact OH-O 2.88Å; Y316-F380 HydrophobicContact CD1-CE1 4.23Å; Y316-F380 HydrophobicContact CE1-CD1 4.17Å; Y316-F380 AromaticContact CE1-CE1 3.87Å; Y316-F380 HydrophobicContact CE1-CE1 3.87Å; Y316-L428 VanDerWaalsContact CB-CD2 3.43Å; Y316-L428 WeakPolarHBondContact O-CD2 3.45Å
317	D	93.1	Very high	92.1	Very high	54 Å²	54	46.1 Å²	46.1	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	129.6	-176.6	-62.8	2.9	0	0	0	110	S314 T319 S430 T431	S314-D317 WeakPolarHBondContact CB-OD2 3.48Å; S314-D317 WeakPolarHBondContact O-CB 3.22Å; S314-D317 PolarHBondContact O-N 2.69Å; S314-D317 VanDerWaalsContact O-N 3.14Å; S314-D317 PolarHBondContact OG-OD2 3.46Å; D317-T319 VanDerWaalsContact C-N 3.26Å; D317-T319 PolarHBondContact O-N 3.07Å; D317-S430 WeakPolarHBondContact OD1-CA 3.28Å; D317-T431 PolarHBondContact OD1-N 3.26Å
318	G	89.5	Confident	91.9	Very high	48 Å²	48	48 Å²	48	50%	0.495	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-5.1	-172.2	0	0	0	0	0	115.7	Y316 L428	Y316-G318 PolarHBondContact O-N 3.15Å; G318-L428 CarbonylContact C-O 3.47Å; G318-L428 WeakPolarHBondContact CA-O 3.46Å; G318-L428 PolarHBondContact N-O 3.3Å
319	T	94	Very high	92	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.067	23%	0.234	C	C	.	.			trans	-71.8	149.9	-176.8	65.9	0	0	0	0	113.1	Y316 D317 P335 L428	Y316-T319 WeakPolarHBondContact O-CB 3.47Å; Y316-T319 WeakPolarHBondContact O-CG2 3.5Å; Y316-T319 PolarHBondContact O-N 3.06Å; Y316-T319 VanDerWaalsContact O-N 3.1Å; Y316-T319 PolarHBondContact O-OG1 3.33Å; D317-T319 VanDerWaalsContact C-N 3.26Å; D317-T319 PolarHBondContact O-N 3.07Å; T319-P335 HydrophobicContact CG2-CB 4.26Å; T319-P335 HydrophobicContact CG2-CG 4.29Å; T319-L428 PolarHBondContact O-N 3.38Å
320	I	93.8	Very high	92.1	Very high	38 Å²	38	45.6 Å²	45.6	20%	0.195	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-101.6	149.6	-178.2	60.9	164.9	0	0	0	112.6	H322 E425 I426 K427	I320-H322 HydrophobicContact CD1-CB 4.09Å; I320-H322 HydrophobicContact CG1-CB 4.22Å; I320-H322 PolarHBondContact O-N 3.05Å; I320-H322 VanDerWaalsContact O-N 3.15Å; I320-E425 HydrophobicContact CG2-CG 3.9Å; I320-E425 WeakPolarHBondContact CG2-OE1 3.38Å; I320-I426 WeakPolarHBondContact CA-O 3.36Å; I320-K427 HydrophobicContact CG2-CG 3.74Å
321	F	94.1	Very high	92.1	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.026	23%	0.227	C	C	.	.			trans	-79.8	89.7	161.2	-66	-87.6	0	0	0	108.7	T286 R323 I330 Q331 F380 M410 P422 I426 L428	T286-F321 HydrophobicContact CG2-CE2 4.43Å; F321-R323 PolarHBondContact O-N 3.05Å; F321-I330 HydrophobicContact CB-CD1 3.96Å; F321-I330 HydrophobicContact CB-CG1 3.92Å; F321-I330 HydrophobicContact CD1-CD1 4.21Å; F321-I330 HydrophobicContact CD1-CG1 3.79Å; F321-I330 HydrophobicContact CG-CD1 4.1Å; F321-I330 HydrophobicContact CG-CG1 4.08Å; F321-Q331 CarbonylContact C-O 3.58Å; F321-Q331 VanDerWaalsContact CA-O 3.29Å; F321-Q331 WeakPolarHBondContact CA-O 3.34Å; F321-F380 HydrophobicContact CE1-CE2 4.12Å; F321-F380 HydrophobicContact CE1-CZ 4.41Å; F321-M410 HydrophobicContact CD1-CE 4.33Å; F321-M410 HydrophobicContact CD2-CE 3.66Å; F321-M410 HydrophobicContact CE1-CE 4.16Å; F321-M410 HydrophobicContact CE2-CE 3.46Å; F321-M410 VanDerWaalsContact CE2-CE 3.46Å; F321-M410 HydrophobicContact CG-CE 4.09Å; F321-M410 HydrophobicContact CZ-CE 3.73Å; F321-P422 WeakPolarHBondContact O-CD 3.2Å; F321-P422 WeakPolarHBondContact O-CG 3.42Å; F321-I426 HydrophobicContact CB-CB 4.28Å; F321-I426 HydrophobicContact CD2-CB 4.17Å; F321-I426 HydrophobicContact CD2-CG2 3.7Å; F321-I426 HydrophobicContact CE2-CG2 4.35Å; F321-I426 HydrophobicContact CG-CG2 4.47Å; F321-I426 PolarHBondContact N-O 2.95Å; F321-L428 HydrophobicContact CE2-CD1 3.99Å; F321-L428 HydrophobicContact CZ-CD1 3.94Å
322	H	91.9	Very high	92.2	Very high	11 Å²	11	46.2 Å²	46.2	5%	0.051	23%	0.226	C	C	.	.			trans	-74.7	-5.9	-173	62.7	-98.5	0	0	0	113.8	I320 Q331 G339 K421	I320-H322 HydrophobicContact CD1-CB 4.09Å; I320-H322 HydrophobicContact CG1-CB 4.22Å; I320-H322 PolarHBondContact O-N 3.05Å; I320-H322 VanDerWaalsContact O-N 3.15Å; H322-Q331 PolarHBondContact N-O 3.17Å; H322-G339 WeakPolarHBondContact NE2-CA 3.45Å; H322-K421 WeakPolarHBondContact O-CG 3.08Å
323	R	92.3	Very high	92.2	Very high	88 Å²	88	41.8 Å²	41.8	33%	0.332	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	129.4	179.2	175.6	172.8	-162.4	-153.8	8.3	110.9	F321 M329 Q331 D420	F321-R323 PolarHBondContact O-N 3.05Å; R323-M329 HydrophobicContact CG-CE 4.4Å; R323-Q331 HydrophobicContact CB-CB 4.22Å; R323-Q331 PolarHBondContact O-N 3.13Å; R323-D420 WeakPolarHBondContact CA-O 3.46Å; R323-D420 HydrophobicContact CG-CB 3.76Å; R323-D420 IonicContact CZ-OD2 3.34Å; R323-D420 IonicContact NE-OD2 3.77Å; R323-D420 PolarHBondContact NE-OD2 2.91Å; R323-D420 IonicContact NH2-OD2 3.3Å; R323-D420 PolarHBondContact NH2-OD2 2.89Å
324	S	92.4	Very high	92.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.1	175.6	-174.4	0	0	0	0	110.3	C415 D420	S324-C415 PolarHBondContact O-SG 2.99Å; S324-D420 PolarHBondContact N-O 3.4Å
325	I	91.3	Very high	92.2	Very high	44 Å²	44	35.6 Å²	35.6	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.8	177.7	-58	172.5	0	0	0	107.8	F328 M329 F384 D420	I325-F328 HydrophobicContact CB-CB 4.07Å; I325-F328 HydrophobicContact CB-CD1 3.98Å; I325-F328 HydrophobicContact CD1-CD1 3.84Å; I325-F328 HydrophobicContact CD1-CE1 4.28Å; I325-F328 HydrophobicContact CG1-CD1 4.49Å; I325-F328 HydrophobicContact CG2-CB 3.78Å; I325-F328 HydrophobicContact CG2-CD1 4.06Å; I325-F328 HydrophobicContact CG2-CG 4.42Å; I325-F328 WeakPolarHBondContact O-CA 3.45Å; I325-F328 PolarHBondContact O-N 3.43Å; I325-M329 HydrophobicContact CD1-CE 4.43Å; I325-M329 PolarHBondContact N-O 2.93Å; I325-M329 PolarHBondContact O-N 3.01Å; I325-M329 VanDerWaalsContact O-N 3.1Å; I325-F384 WeakPolarHBondContact O-CD2 3.22Å; I325-D420 WeakPolarHBondContact CD1-OD2 3.22Å; I325-D420 HydrophobicContact CG1-CB 4.17Å
326	R	89.3	Confident	92	Very high	166 Å²	166	36.5 Å²	36.5	63%	0.626	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	141	-179.7	-166.1	176.9	-173.8	-171.3	4.9	111.5	F328 E411	R326-F328 PolarHBondContact O-N 2.71Å; R326-F328 VanDerWaalsContact O-N 3.11Å; R326-E411 HydrophobicContact CG-CG 3.92Å
327	N	88.8	Confident	91.6	Very high	79 Å²	79	37 Å²	37	42%	0.422	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-0.5	-171.4	-71	-78.6	0	0	0	116.4	R385 E411	N327-R385 VanDerWaalsContact O-CB 3.26Å; N327-R385 WeakPolarHBondContact O-CB 3.34Å; N327-R385 PolarHBondContact OD1-NH2 3.47Å; N327-E411 VanDerWaalsContact CA-OE1 3.32Å; N327-E411 WeakPolarHBondContact CA-OE1 3.47Å; N327-E411 PolarHBondContact N-OE1 2.98Å
328	F	91.4	Very high	91.3	Very high	38 Å²	38	38.2 Å²	38.2	17%	0.167	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-80.9	-178.7	176.6	-135.9	0	0	0	112.2	I325 R326 F384 C387 Y389 L390	I325-F328 HydrophobicContact CB-CB 4.07Å; I325-F328 HydrophobicContact CB-CD1 3.98Å; I325-F328 HydrophobicContact CD1-CD1 3.84Å; I325-F328 HydrophobicContact CD1-CE1 4.28Å; I325-F328 HydrophobicContact CG1-CD1 4.49Å; I325-F328 HydrophobicContact CG2-CB 3.78Å; I325-F328 HydrophobicContact CG2-CD1 4.06Å; I325-F328 HydrophobicContact CG2-CG 4.42Å; I325-F328 WeakPolarHBondContact O-CA 3.45Å; I325-F328 PolarHBondContact O-N 3.43Å; R326-F328 PolarHBondContact O-N 2.71Å; R326-F328 VanDerWaalsContact O-N 3.11Å; F328-F384 PolarHBondContact O-N 3.11Å; F328-C387 VanDerWaalsContact CD2-SG 3.54Å; F328-C387 HydrophobicContact CE2-CB 4.27Å; F328-Y389 HydrophobicContact CE2-CE1 4.08Å; F328-Y389 HydrophobicContact CE2-CE2 4.46Å; F328-Y389 AromaticContact CE2-CZ 3.59Å; F328-Y389 WeakPolarHBondContact CE2-OH 3.41Å; F328-Y389 HydrophobicContact CZ-CE2 4.44Å; F328-Y389 AromaticContact CZ-CZ 3.87Å; F328-Y389 WeakPolarHBondContact CZ-OH 3.34Å; F328-L390 HydrophobicContact CE2-CD1 3.87Å; F328-L390 HydrophobicContact CE2-CG 4.48Å; F328-L390 HydrophobicContact CZ-CD1 4.13Å; F328-L390 HydrophobicContact CZ-CD2 4.36Å
329	M	93.1	Very high	91	Very high	7 Å²	7	37 Å²	37	3%	0.034	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	162.6	-177.4	65.9	85.6	-179.2	0	0	112.7	R323 I325 Q331 F381 I382	R323-M329 HydrophobicContact CG-CE 4.4Å; I325-M329 HydrophobicContact CD1-CE 4.43Å; I325-M329 PolarHBondContact N-O 2.93Å; I325-M329 PolarHBondContact O-N 3.01Å; I325-M329 VanDerWaalsContact O-N 3.1Å; M329-Q331 HydrophobicContact CE-CB 4.29Å; M329-Q331 HydrophobicContact SD-CB 3.82Å; M329-F381 HydrophobicContact CB-CD2 4.01Å; M329-F381 HydrophobicContact CG-CD2 4.3Å; M329-F381 HydrophobicContact SD-CB 3.87Å; M329-F381 HydrophobicContact SD-CG 4.32Å; M329-I382 CarbonylContact C-O 3.54Å; M329-I382 VanDerWaalsContact CA-O 3.25Å; M329-I382 WeakPolarHBondContact CA-O 3.46Å; M329-I382 WeakPolarHBondContact CB-O 3.25Å
330	I	93.9	Very high	90.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.8	171.2	-175.6	163.6	0	0	0	109.9	F321 F381 I382 F384 L407 M410 I426	F321-I330 HydrophobicContact CB-CD1 3.96Å; F321-I330 HydrophobicContact CB-CG1 3.92Å; F321-I330 HydrophobicContact CD1-CD1 4.21Å; F321-I330 HydrophobicContact CD1-CG1 3.79Å; F321-I330 HydrophobicContact CG-CD1 4.1Å; F321-I330 HydrophobicContact CG-CG1 4.08Å; I330-F381 CarbonylContact O-C 3.27Å; I330-F381 WeakPolarHBondContact O-CA 3.42Å; I330-F381 WeakPolarHBondContact O-CB 3.48Å; I330-I382 HydrophobicContact CG2-CB 4.06Å; I330-I382 PolarHBondContact N-O 3.24Å; I330-I382 PolarHBondContact O-N 3.13Å; I330-F384 HydrophobicContact CB-CE1 4.46Å; I330-F384 HydrophobicContact CB-CE2 3.86Å; I330-F384 HydrophobicContact CB-CZ 3.58Å; I330-F384 HydrophobicContact CD1-CZ 4.4Å; I330-F384 HydrophobicContact CG2-CE1 3.92Å; I330-F384 HydrophobicContact CG2-CE2 4.16Å; I330-F384 HydrophobicContact CG2-CZ 3.52Å; I330-L407 HydrophobicContact CG2-CD1 4.38Å; I330-M410 HydrophobicContact CD1-CB 4.04Å; I330-M410 HydrophobicContact CD1-CE 3.9Å; I330-I426 HydrophobicContact CD1-CD1 3.94Å
331	Q	94.7	Very high	90.3	Very high	23 Å²	23	40.7 Å²	40.7	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.8	-171.5	177.7	-178.6	-11.7	0	0	110.9	F321 H322 R323 M329 F380 F381	F321-Q331 CarbonylContact C-O 3.58Å; F321-Q331 VanDerWaalsContact CA-O 3.29Å; F321-Q331 WeakPolarHBondContact CA-O 3.34Å; H322-Q331 PolarHBondContact N-O 3.17Å; R323-Q331 HydrophobicContact CB-CB 4.22Å; R323-Q331 PolarHBondContact O-N 3.13Å; M329-Q331 HydrophobicContact CE-CB 4.29Å; M329-Q331 HydrophobicContact SD-CB 3.82Å; Q331-F380 WeakPolarHBondContact CA-O 3.48Å; Q331-F381 HydrophobicContact CB-CB 3.97Å; Q331-F381 HydrophobicContact CG-CB 4.41Å
332	G	93.6	Very high	90	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-161.3	-177.7	0	0	0	0	0	111.9	Q379 F380	G332-Q379 WeakPolarHBondContact O-CA 3.28Å; G332-F380 PolarHBondContact N-O 3.34Å; G332-F380 PolarHBondContact O-N 3.48Å
333	G	90.6	Very high	90	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.01	25%	0.248	C	C	.	.			trans	77.9	20.8	-179.1	0	0	0	0	0	114.9	S378	G333-S378 CarbonylContact O-C 3.6Å; G333-S378 WeakPolarHBondContact O-CB 3.21Å; G333-S378 PolarHBondContact O-OG 3.31Å
334	D	92.3	Very high	90.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-107.4	111.9	169.1	179.2	5.2	0	0	0	109.6	T336 G337 T338 G339 T340 G341 G342 Q379	D334-T336 PolarHBondContact O-N 3.46Å; D334-T336 WeakPolarHBondContact OD1-CB 3.23Å; D334-T336 PolarHBondContact OD1-N 3.33Å; D334-T336 PolarHBondContact OD1-OG1 2.94Å; D334-T336 PolarHBondContact OD2-OG1 3.32Å; D334-G337 PolarHBondContact O-N 3.44Å; D334-T338 PolarHBondContact OD2-N 3.32Å; D334-T338 PolarHBondContact OD2-OG1 2.91Å; D334-G339 WeakPolarHBondContact OD2-CA 3.05Å; D334-G339 PolarHBondContact OD2-N 2.91Å; D334-T340 PolarHBondContact OD2-N 3.01Å; D334-G341 VanDerWaalsContact OD1-C 3.29Å; D334-G341 VanDerWaalsContact OD1-CA 3.25Å; D334-G341 WeakPolarHBondContact OD1-CA 3.42Å; D334-G341 PolarHBondContact OD2-N 3.16Å; D334-G342 PolarHBondContact OD1-N 2.91Å; D334-Q379 HydrophobicContact CB-CG 4.02Å
335	P	89.8	Confident	89.9	Confident	63 Å²	63	45 Å²	45	41%	0.409	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.6	177.5	-22.1	33.1	0	0	0	114.9	Y315 T319	Y315-P335 HydrophobicContact CD1-CG 4.1Å; Y315-P335 HydrophobicContact CE1-CG 3.4Å; Y315-P335 VanDerWaalsContact CE1-CG 3.4Å; Y315-P335 HydrophobicContact CE2-CG 4.15Å; Y315-P335 VanDerWaalsContact CZ-CG 3.45Å; T319-P335 HydrophobicContact CG2-CB 4.26Å; T319-P335 HydrophobicContact CG2-CG 4.29Å
336	T	88.9	Confident	89.7	Confident	88 Å²	88	46.3 Å²	46.3	54%	0.54	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.7	178.4	69.4	0	0	0	0	113	D334 T338	D334-T336 PolarHBondContact O-N 3.46Å; D334-T336 WeakPolarHBondContact OD1-CB 3.23Å; D334-T336 PolarHBondContact OD1-N 3.33Å; D334-T336 PolarHBondContact OD1-OG1 2.94Å; D334-T336 PolarHBondContact OD2-OG1 3.32Å; T336-T338 PolarHBondContact O-N 3.09Å; T336-T338 VanDerWaalsContact O-N 3.11Å; T336-T338 PolarHBondContact OG1-N 3.43Å; T336-T338 PolarHBondContact OG1-OG1 3.22Å
337	G	85.2	Confident	89.6	Confident	10 Å²	10	40.5 Å²	40.5	10%	0.103	24%	0.241	C	C	.	.	S	Bend	trans	63.4	10.6	-175.4	0	0	0	0	0	115.1	D334 K421	D334-G337 PolarHBondContact O-N 3.44Å; G337-K421 PolarHBondContact O-NZ 3.32Å
338	T	85.8	Confident	89.7	Confident	80 Å²	80	44.6 Å²	44.6	49%	0.491	25%	0.254	S	S	.	.	S	Bend	trans	-84.2	-28.7	-177.9	59.8	0	0	0	0	112.6	D334 T336 T340	D334-T338 PolarHBondContact OD2-N 3.32Å; D334-T338 PolarHBondContact OD2-OG1 2.91Å; T336-T338 PolarHBondContact O-N 3.09Å; T336-T338 VanDerWaalsContact O-N 3.11Å; T336-T338 PolarHBondContact OG1-N 3.43Å; T336-T338 PolarHBondContact OG1-OG1 3.22Å; T338-T340 PolarHBondContact OG1-N 3.29Å; T338-T340 PolarHBondContact OG1-OG1 3.01Å
339	G	84.1	Confident	89.6	Confident	21 Å²	21	46.3 Å²	46.3	22%	0.216	27%	0.269	C	S	.	.	S	Bend	trans	94.7	-7.4	-173.4	0	0	0	0	0	113.8	H322 D334 Q379	H322-G339 WeakPolarHBondContact NE2-CA 3.45Å; D334-G339 WeakPolarHBondContact OD2-CA 3.05Å; D334-G339 PolarHBondContact OD2-N 2.91Å; G339-Q379 PolarHBondContact O-NE2 2.82Å; G339-Q379 PolarHBondContact O-OE1 3.24Å
340	T	86.6	Confident	89.6	Confident	113 Å²	113	46.2 Å²	46.2	69%	0.693	27%	0.269	S	S	*	.	S	Bend	trans	-113.7	-11.8	179.7	54.7	0	0	0	0	113.4	D334 T338	D334-T340 PolarHBondContact OD2-N 3.01Å; T338-T340 PolarHBondContact OG1-N 3.29Å; T338-T340 PolarHBondContact OG1-OG1 3.01Å
341	G	87	Confident	89.5	Confident	15 Å²	15	51.1 Å²	51.1	16%	0.155	29%	0.29	C	S	.	.			trans	-81.9	-165.1	-178.7	0	0	0	0	0	114.1	D334 Q379	D334-G341 VanDerWaalsContact OD1-C 3.29Å; D334-G341 VanDerWaalsContact OD1-CA 3.25Å; D334-G341 WeakPolarHBondContact OD1-CA 3.42Å; D334-G341 PolarHBondContact OD2-N 3.16Å; G341-Q379 PolarHBondContact O-NE2 3.13Å
342	G	88.1	Confident	89.4	Confident	9 Å²	9	51 Å²	51	9%	0.093	29%	0.29	C	S	.	.			trans	89.8	147.2	-177.9	0	0	0	0	0	113.9	D334 K377 S378	D334-G342 PolarHBondContact OD1-N 2.91Å; G342-K377 WeakPolarHBondContact O-CD 3.36Å; G342-S378 WeakPolarHBondContact CA-OG 3.27Å
343	E	91.9	Very high	89.2	Confident	122 Å²	122	51.6 Å²	51.6	57%	0.57	29%	0.293	S	S	*	.			trans	-134.8	152.8	-178.3	-64.2	-170.2	158.3	0	0	110.4	Y315 S378	Y315-E343 PolarHBondContact OH-N 2.87Å; E343-S378 PolarHBondContact N-OG 2.71Å; E343-S378 VanDerWaalsContact O-CB 3.27Å; E343-S378 WeakPolarHBondContact O-CB 3.46Å; E343-S378 PolarHBondContact O-N 2.81Å
344	S	92.5	Very high	89.3	Confident	7 Å²	7	56 Å²	56	5%	0.049	31%	0.312	C	S	.	.			trans	-75.1	165.3	172.8	83.3	0	0	0	0	110.7	N306 W346 G347 K348	N306-S344 WeakPolarHBondContact OD1-CA 3.01Å; N306-S344 WeakPolarHBondContact OD1-CB 3.26Å; S344-W346 PolarHBondContact O-N 3.11Å; S344-W346 VanDerWaalsContact O-N 3.1Å; S344-W346 PolarHBondContact OG-N 3.25Å; S344-W346 VanDerWaalsContact OG-N 3.15Å; S344-G347 PolarHBondContact O-N 3.36Å; S344-G347 PolarHBondContact OG-N 3.48Å; S344-K348 WeakPolarHBondContact CB-O 3.45Å; S344-K348 PolarHBondContact OG-O 3.34Å
345	F	89.8	Confident	89.1	Confident	59 Å²	59	61.6 Å²	61.6	26%	0.259	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-31	171.5	176.9	-88.1	0	0	0	113.4	N306 R309 K313	N306-F345 PolarHBondContact OD1-N 3.41Å; R309-F345 HydrophobicContact CB-CB 4.48Å; R309-F345 HydrophobicContact CB-CD2 3.38Å; R309-F345 HydrophobicContact CB-CE2 3.71Å; R309-F345 HydrophobicContact CB-CG 3.97Å; R309-F345 HydrophobicContact CG-CD2 4.2Å; R309-F345 HydrophobicContact CG-CE2 4.18Å; K313-F345 HydrophobicContact CD-CD2 4.02Å; K313-F345 HydrophobicContact CD-CE2 3.92Å; K313-F345 VanDerWaalsContact CE-CE2 3.4Å
346	W	86.9	Confident	89	Confident	71 Å²	71	64.6 Å²	64.6	27%	0.269	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.4	-179.9	-53.6	-87.9	0	0	0	113.6	K302 E305 N306 S344 K348 F350	K302-W346 HydrophobicContact CD-CH2 4.18Å; K302-W346 HydrophobicContact CD-CZ3 4.4Å; K302-W346 HydrophobicContact CG-CH2 3.38Å; K302-W346 HydrophobicContact CG-CZ2 4.1Å; K302-W346 HydrophobicContact CG-CZ3 3.81Å; K302-W346 WeakPolarHBondContact O-CH2 3.42Å; E305-W346 WeakPolarHBondContact OE2-CZ2 3.49Å; N306-W346 HydrophobicContact CB-CH2 4.01Å; N306-W346 HydrophobicContact CB-CZ3 3.76Å; S344-W346 PolarHBondContact O-N 3.11Å; S344-W346 VanDerWaalsContact O-N 3.1Å; S344-W346 PolarHBondContact OG-N 3.25Å; S344-W346 VanDerWaalsContact OG-N 3.15Å; W346-K348 PolarHBondContact O-N 2.62Å; W346-F350 HydrophobicContact CE3-CD1 4.37Å; W346-F350 HydrophobicContact CZ3-CB 4.4Å; W346-F350 AromaticContact CZ3-CD1 3.97Å; W346-F350 HydrophobicContact CZ3-CD1 3.97Å; W346-F350 HydrophobicContact CZ3-CE1 4.44Å; W346-F350 HydrophobicContact CZ3-CG 4.16Å
347	G	86.4	Confident	89	Confident	45 Å²	45	66.4 Å²	66.4	46%	0.464	36%	0.359	S	S	.	.	S	Bend	trans	69.9	-28	-174	0	0	0	0	0	115	S344	S344-G347 PolarHBondContact O-N 3.36Å; S344-G347 PolarHBondContact OG-N 3.48Å
348	K	90.3	Very high	89.2	Confident	164 Å²	164	67.2 Å²	67.2	71%	0.713	36%	0.361	S	S	*	.	S	Bend	trans	-95.6	144.9	178.1	-65.4	179.8	175.7	175.1	0	111.8	S344 W346	S344-K348 WeakPolarHBondContact CB-O 3.45Å; S344-K348 PolarHBondContact OG-O 3.34Å; W346-K348 PolarHBondContact O-N 2.62Å
349	P	91.2	Very high	89.5	Confident	74 Å²	74	65.6 Å²	65.6	48%	0.481	35%	0.353	S	S	.	.			trans	-57.9	149	171.7	-20.9	32	0	0	0	111.9	N376	P349-N376 CarbonylContact C-O 3.59Å; P349-N376 VanDerWaalsContact CA-O 3.26Å; P349-N376 WeakPolarHBondContact CA-O 3.22Å
350	F	92.3	Very high	89.9	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.026	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-119.4	155.4	-178.1	69.9	-89.6	0	0	0	114	K302 A303 N306 W346 M368 N374 N376	K302-F350 HydrophobicContact CB-CD2 4.41Å; K302-F350 HydrophobicContact CD-CB 4.09Å; K302-F350 HydrophobicContact CD-CD2 4.26Å; K302-F350 HydrophobicContact CD-CG 4.46Å; K302-F350 HydrophobicContact CG-CB 4.48Å; K302-F350 HydrophobicContact CG-CD2 3.93Å; K302-F350 HydrophobicContact CG-CG 4.34Å; A303-F350 HydrophobicContact CB-CE2 3.94Å; A303-F350 HydrophobicContact CB-CZ 4.15Å; N306-F350 HydrophobicContact CB-CE1 4.01Å; N306-F350 HydrophobicContact CB-CZ 4.16Å; W346-F350 HydrophobicContact CE3-CD1 4.37Å; W346-F350 HydrophobicContact CZ3-CB 4.4Å; W346-F350 AromaticContact CZ3-CD1 3.97Å; W346-F350 HydrophobicContact CZ3-CD1 3.97Å; W346-F350 HydrophobicContact CZ3-CE1 4.44Å; W346-F350 HydrophobicContact CZ3-CG 4.16Å; F350-M368 HydrophobicContact CE1-CE 4.27Å; F350-M368 HydrophobicContact CZ-CE 4.01Å; F350-M368 HydrophobicContact CZ-CG 4.36Å; F350-M368 HydrophobicContact CZ-SD 4.45Å; F350-N374 CarbonylContact O-C 3.46Å; F350-N374 VanDerWaalsContact O-C 3.27Å; F350-N376 HydrophobicContact CD1-CB 3.84Å; F350-N376 WeakPolarHBondContact CD1-O 3.49Å; F350-N376 HydrophobicContact CD2-CB 3.93Å; F350-N376 HydrophobicContact CE1-CB 3.54Å; F350-N376 HydrophobicContact CE2-CB 3.63Å; F350-N376 HydrophobicContact CG-CB 4.03Å; F350-N376 HydrophobicContact CZ-CB 3.43Å; F350-N376 VanDerWaalsContact CZ-CB 3.43Å; F350-N376 PolarHBondContact N-O 2.85Å; F350-N376 WeakPolarHBondContact O-CB 3.31Å; F350-N376 PolarHBondContact O-N 2.9Å; F350-N376 PolarHBondContact O-ND2 2.98Å; F350-N376 VanDerWaalsContact O-ND2 3.11Å
351	K	92.4	Very high	90.2	Very high	103 Å²	103	63.8 Å²	63.8	45%	0.448	34%	0.338	S	S	.	.			trans	-54.1	151.8	-177.9	64.3	170.5	-174.1	167.9	0	113.4	E353 N374 N376	K351-E353 WeakPolarHBondContact CE-OE1 3.27Å; K351-E353 HydrophobicContact CG-CG 4.43Å; K351-E353 IonicContact NZ-OE1 3.43Å; K351-E353 PolarHBondContact NZ-OE1 2.61Å; K351-N374 WeakPolarHBondContact CA-OD1 3.35Å; K351-N374 WeakPolarHBondContact CB-OD1 3.29Å; K351-N376 PolarHBondContact O-ND2 2.75Å
352	D	92.2	Very high	90.3	Very high	19 Å²	19	64.4 Å²	64.4	10%	0.102	34%	0.344	C	S	.	.			trans	-74.9	149.1	168	-72.6	-59.3	0	0	0	111.3	F354 N370 N374 N376 T395	D352-F354 HydrophobicContact CB-CD1 4.39Å; D352-F354 HydrophobicContact CB-CD2 4.25Å; D352-F354 HydrophobicContact CB-CE1 3.78Å; D352-F354 HydrophobicContact CB-CE2 3.64Å; D352-F354 HydrophobicContact CB-CZ 3.37Å; D352-F354 VanDerWaalsContact CG-CZ 3.5Å; D352-N370 PolarHBondContact OD1-ND2 3.39Å; D352-N374 PolarHBondContact N-OD1 3.3Å; D352-N374 PolarHBondContact OD2-N 2.92Å; D352-N376 PolarHBondContact OD1-ND2 3.37Å; D352-N376 PolarHBondContact OD1-OD1 2.92Å; D352-T395 WeakPolarHBondContact CA-OG1 3.47Å; D352-T395 PolarHBondContact OD1-OG1 3.35Å
353	E	89.8	Confident	90.5	Very high	14 Å²	14	67.9 Å²	67.9	7%	0.065	35%	0.354	C	S	.	.			trans	-129.9	61.6	-176.3	-68.2	-165.5	142.4	0	0	110.8	V300 P301 K302 K351 T395	V300-E353 VanDerWaalsContact C-OE2 3.25Å; V300-E353 HydrophobicContact CG1-CB 3.72Å; P301-E353 WeakPolarHBondContact CD-OE2 3.19Å; K302-E353 WeakPolarHBondContact CB-OE1 3.41Å; K302-E353 WeakPolarHBondContact CB-OE2 3.44Å; K302-E353 PolarHBondContact N-OE2 3.12Å; K351-E353 WeakPolarHBondContact CE-OE1 3.27Å; K351-E353 HydrophobicContact CG-CG 4.43Å; K351-E353 IonicContact NZ-OE1 3.43Å; K351-E353 PolarHBondContact NZ-OE1 2.61Å; E353-T395 HydrophobicContact CB-CG2 3.98Å; E353-T395 PolarHBondContact N-OG1 2.91Å
354	F	91.4	Very high	90.5	Very high	94 Å²	94	62.1 Å²	62.1	41%	0.412	33%	0.327	S	S	.	.			trans	-67.8	138	178.5	-50	-49.8	0	0	0	112.2	D352 G392	D352-F354 HydrophobicContact CB-CD1 4.39Å; D352-F354 HydrophobicContact CB-CD2 4.25Å; D352-F354 HydrophobicContact CB-CE1 3.78Å; D352-F354 HydrophobicContact CB-CE2 3.64Å; D352-F354 HydrophobicContact CB-CZ 3.37Å; D352-F354 VanDerWaalsContact CG-CZ 3.5Å; F354-G392 WeakPolarHBondContact CE2-O 3.48Å; F354-G392 VanDerWaalsContact CZ-O 3.23Å; F354-G392 WeakPolarHBondContact CZ-O 3.39Å
355	R	89.3	Confident	90.7	Very high	116 Å²	116	62.4 Å²	62.4	44%	0.438	33%	0.329	S	S	.	.			trans	-133.2	136.5	176.8	-59.7	-63.5	-170.2	178.7	6.3	109.8	K299 V300 N357 L358	K299-R355 HydrophobicContact CB-CG 4.36Å; K299-R355 VanDerWaalsContact O-CZ 3.26Å; K299-R355 PolarHBondContact O-NE 2.89Å; K299-R355 PolarHBondContact O-NH2 2.88Å; V300-R355 HydrophobicContact CG2-CG 4.37Å; R355-N357 PolarHBondContact O-N 3.12Å; R355-N357 VanDerWaalsContact O-N 3.16Å; R355-L358 HydrophobicContact CB-CB 4.28Å; R355-L358 HydrophobicContact CB-CD1 4.2Å; R355-L358 HydrophobicContact CB-CG 4.25Å; R355-L358 HydrophobicContact CG-CD1 4.31Å; R355-L358 PolarHBondContact O-N 3.04Å; R355-L358 VanDerWaalsContact O-N 3.08Å; R355-L358 VanDerWaalsContact O-O 3.13Å
356	P	86.9	Confident	90.9	Very high	127 Å²	127	59.6 Å²	59.6	83%	0.825	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.7	179.8	26.6	-35.1	0	0	0	112.6	L358	P356-L358 VanDerWaalsContact C-N 3.28Å; P356-L358 PolarHBondContact O-N 2.96Å
357	N	88.6	Confident	91.3	Very high	125 Å²	125	56.2 Å²	56.2	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	16	179.7	-57	-5.1	0	0	0	113	K299 R355	K299-N357 PolarHBondContact NZ-O 3.43Å; R355-N357 PolarHBondContact O-N 3.12Å; R355-N357 VanDerWaalsContact O-N 3.16Å
358	L	90.4	Very high	91.8	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.141	28%	0.282	C	S	.	.			trans	-140.3	105.5	176.7	-66.7	178.6	0	0	0	109.2	H296 K299 V300 R355 P356 V396	H296-L358 HydrophobicContact CB-CD1 4.45Å; H296-L358 VanDerWaalsContact CD2-CD2 3.42Å; H296-L358 WeakPolarHBondContact CD2-CD2 3.44Å; K299-L358 HydrophobicContact CB-CD1 4.04Å; K299-L358 HydrophobicContact CD-CD1 3.72Å; K299-L358 HydrophobicContact CD-CD2 3.99Å; K299-L358 HydrophobicContact CD-CG 3.8Å; V300-L358 HydrophobicContact CG2-CD1 3.49Å; V300-L358 VanDerWaalsContact CG2-CD1 3.49Å; R355-L358 HydrophobicContact CB-CB 4.28Å; R355-L358 HydrophobicContact CB-CD1 4.2Å; R355-L358 HydrophobicContact CB-CG 4.25Å; R355-L358 HydrophobicContact CG-CD1 4.31Å; R355-L358 PolarHBondContact O-N 3.04Å; R355-L358 VanDerWaalsContact O-N 3.08Å; R355-L358 VanDerWaalsContact O-O 3.13Å; P356-L358 VanDerWaalsContact C-N 3.28Å; P356-L358 PolarHBondContact O-N 2.96Å; L358-V396 HydrophobicContact CB-CB 4.18Å; L358-V396 HydrophobicContact CB-CG1 4.22Å
359	S	92.2	Very high	91.9	Very high	46 Å²	46	46.9 Å²	46.9	32%	0.322	25%	0.252	S	S	.	.			trans	-123.5	162.9	175.7	59.9	0	0	0	0	110.3	T361 D391	S359-T361 PolarHBondContact O-N 2.95Å; S359-T361 PolarHBondContact OG-OG1 3.07Å; S359-D391 VanDerWaalsContact CA-OD1 3.31Å; S359-D391 WeakPolarHBondContact CA-OD1 2.98Å; S359-D391 WeakPolarHBondContact CB-OD2 3.22Å
360	H	92.8	Very high	92	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-76.6	53.1	173.2	-58.7	78.7	0	0	0	110.5	S367 F381 S386 C387 L390 D391 V396	H360-S367 PolarHBondContact CD2-OG 3.36Å; H360-S367 PolarHBondContact NE2-OG 3.13Å; H360-S367 VanDerWaalsContact NE2-OG 3.08Å; H360-F381 AromaticContact NE2-CZ 3.8Å; H360-S386 CarbonylContact O-C 3.59Å; H360-S386 WeakPolarHBondContact O-CA 3.28Å; H360-C387 HydrophobicContact CB-CB 4.23Å; H360-C387 PolarHBondContact O-N 3.35Å; H360-L390 PolarHBondContact CE1-O 3.34Å; H360-L390 VanDerWaalsContact CE1-O 3.32Å; H360-D391 IonicContact CE1-OD1 3.13Å; H360-D391 IonicContact CG-OD1 2.95Å; H360-D391 PolarHBondContact N-OD1 3.27Å; H360-D391 IonicContact ND1-OD1 2.66Å; H360-D391 PolarHBondContact ND1-OD1 3.32Å; H360-V396 WeakPolarHBondContact CE1-CG2 3.43Å
361	T	91.5	Very high	91.9	Very high	96 Å²	96	50.3 Å²	50.3	59%	0.589	28%	0.276	S	S	*	.			trans	-101.3	121.1	178.4	-55.4	0	0	0	0	109.8	S359	S359-T361 PolarHBondContact O-N 2.95Å; S359-T361 PolarHBondContact OG-OG1 3.07Å
362	G	88.6	Confident	91.7	Very high	27 Å²	27	46.6 Å²	46.6	28%	0.278	27%	0.268	S	S	.	.	S	Bend	trans	100.5	176.8	-177.6	0	0	0	0	0	114	T383 R385 S386	G362-T383 PolarHBondContact O-OG1 2.7Å; G362-R385 CarbonylContact O-C 3.43Å; G362-R385 VanDerWaalsContact O-C 3.27Å; G362-S386 PolarHBondContact N-OG 3.42Å; G362-S386 PolarHBondContact O-N 3.04Å
363	R	93.1	Very high	91.5	Very high	83 Å²	83	51 Å²	51	31%	0.313	30%	0.297	S	S	.	.	S	Bend	trans	-89.9	142.4	174.3	175.9	175.5	-174.3	85.3	-8.5	109.7	F384 L407 T408 E411	R363-F384 WeakPolarHBondContact CB-O 3.46Å; R363-F384 WeakPolarHBondContact CG-O 3.42Å; R363-F384 PolarHBondContact NH1-O 3.36Å; R363-L407 HydrophobicContact CG-CD2 4.09Å; R363-T408 PolarHBondContact NH2-OG1 3.09Å; R363-E411 IonicContact CZ-OE2 2.73Å; R363-E411 IonicContact NH1-OE2 3.16Å; R363-E411 PolarHBondContact NH1-OE2 3.47Å; R363-E411 IonicContact NH2-OE2 3.49Å; R363-E411 PolarHBondContact NH2-OE2 2.93Å
364	G	92.6	Very high	91.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.01	32%	0.317	C	S	.	.	S	Bend	trans	83.3	23.2	176.5	0	0	0	0	0	114.3	T383 R399 V400	G364-T383 WeakPolarHBondContact CA-O 3.25Å; G364-T383 PolarHBondContact N-O 3.02Å; G364-R399 CarbonylContact O-C 3.59Å; G364-R399 VanDerWaalsContact O-CA 3.26Å; G364-R399 WeakPolarHBondContact O-CA 3.31Å; G364-V400 PolarHBondContact O-N 2.91Å
365	V	95.4	Very high	91.5	Very high	13 Å²	13	52.2 Å²	52.2	8%	0.079	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.6	173.2	-174.9	0	0	0	0	109	I382 T383 V396	V365-I382 WeakPolarHBondContact O-CA 3.35Å; V365-T383 HydrophobicContact CB-CG2 4.31Å; V365-T383 WeakPolarHBondContact CB-OG1 3.44Å; V365-T383 PolarHBondContact N-OG1 3.42Å; V365-T383 VanDerWaalsContact N-OG1 3.14Å; V365-T383 PolarHBondContact O-N 3.49Å; V365-V396 HydrophobicContact CG1-CB 4.46Å; V365-V396 HydrophobicContact CG1-CG1 3.5Å; V365-V396 HydrophobicContact CG1-CG2 4.17Å
366	L	95.4	Very high	91.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.3	-176.3	178.3	74.2	0	0	0	110.3	L293 L295 F380 I382 F397 G398	L293-L366 HydrophobicContact CD1-CD1 4.5Å; L293-L366 HydrophobicContact CD1-CD2 3.82Å; L293-L366 HydrophobicContact CD2-CD2 4.35Å; L293-L366 HydrophobicContact CG-CD2 4.46Å; L295-L366 HydrophobicContact CD2-CD2 3.67Å; L366-F380 HydrophobicContact CD1-CB 4.46Å; L366-F380 HydrophobicContact CD1-CD2 3.57Å; L366-F380 HydrophobicContact CD1-CE2 4.18Å; L366-F380 HydrophobicContact CD1-CG 4.3Å; L366-I382 HydrophobicContact CD1-CD1 4.36Å; L366-I382 HydrophobicContact CD1-CG1 3.67Å; L366-F397 HydrophobicContact CD1-CE1 4.36Å; L366-F397 HydrophobicContact CD1-CZ 4.02Å; L366-F397 HydrophobicContact CD2-CD2 4.05Å; L366-F397 HydrophobicContact CD2-CE1 4.19Å; L366-F397 HydrophobicContact CD2-CE2 3.39Å; L366-F397 HydrophobicContact CD2-CZ 3.49Å; L366-F397 VanDerWaalsContact CD2-CZ 3.49Å; L366-F397 HydrophobicContact CG-CD1 4.36Å; L366-F397 HydrophobicContact CG-CE1 3.74Å; L366-F397 HydrophobicContact CG-CE2 3.91Å; L366-F397 HydrophobicContact CG-CZ 3.49Å; L366-F397 VanDerWaalsContact CG-CZ 3.49Å; L366-F397 PolarHBondContact O-N 3.35Å; L366-G398 PolarHBondContact N-O 3.14Å; L366-G398 PolarHBondContact O-N 2.99Å
367	S	95.4	Very high	92	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.5	-171.5	-54.2	0	0	0	0	112.9	H360 F380 F381 T395	H360-S367 PolarHBondContact CD2-OG 3.36Å; H360-S367 PolarHBondContact NE2-OG 3.13Å; H360-S367 VanDerWaalsContact NE2-OG 3.08Å; S367-F380 CarbonylContact O-C 3.59Å; S367-F380 VanDerWaalsContact O-CA 3.31Å; S367-F380 WeakPolarHBondContact O-CA 3.14Å; S367-F381 VanDerWaalsContact CB-CZ 3.47Å; S367-F381 PolarHBondContact N-O 3.42Å; S367-F381 PolarHBondContact O-N 2.8Å; S367-T395 WeakPolarHBondContact CA-O 3.3Å
368	M	95.3	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.5	177.3	-65.7	-57.2	-59.2	0	0	111.6	A303 F350 N376 K377 Q379 F381 H394 T395 F397	A303-M368 HydrophobicContact CB-CG 4.09Å; F350-M368 HydrophobicContact CE1-CE 4.27Å; F350-M368 HydrophobicContact CZ-CE 4.01Å; F350-M368 HydrophobicContact CZ-CG 4.36Å; F350-M368 HydrophobicContact CZ-SD 4.45Å; M368-N376 HydrophobicContact CB-CB 4.44Å; M368-N376 WeakPolarHBondContact CB-OD1 3.48Å; M368-N376 HydrophobicContact CE-CB 4.39Å; M368-K377 WeakPolarHBondContact CE-O 3.2Å; M368-Q379 VanDerWaalsContact CE-O 3.29Å; M368-Q379 WeakPolarHBondContact CE-O 3.36Å; M368-F381 WeakPolarHBondContact O-CE1 3.36Å; M368-H394 PolarHBondContact O-ND1 2.93Å; M368-T395 PolarHBondContact N-O 3.25Å; M368-F397 HydrophobicContact CG-CD1 3.75Å; M368-F397 HydrophobicContact CG-CE1 3.93Å; M368-F397 HydrophobicContact SD-CD1 3.78Å; M368-F397 HydrophobicContact SD-CE1 3.41Å; M368-F397 WeakPolarHBondContact SD-CE1 3.43Å; M368-F397 HydrophobicContact SD-CZ 3.97Å
369	A	94	Very high	92.5	Very high	12 Å²	12	37.6 Å²	37.6	10%	0.099	23%	0.23	C	C	.	.			trans	-82.4	138.6	166	0	0	0	0	0	109.8	Q379 F381	A369-Q379 HydrophobicContact CB-CB 3.81Å; A369-Q379 PolarHBondContact N-O 3.25Å; A369-F381 HydrophobicContact CB-CD1 4.25Å
370	N	92.9	Very high	92.6	Very high	33 Å²	33	35.4 Å²	35.4	18%	0.176	22%	0.215	C	C	.	.			trans	-140.4	168.1	179.6	63.3	21.4	0	0	0	110	D352 K393 H394	D352-N370 PolarHBondContact OD1-ND2 3.39Å; N370-K393 PolarHBondContact ND2-O 2.88Å; N370-H394 PolarHBondContact OD1-CE1 3.03Å; N370-H394 PolarHBondContact OD1-ND1 3.29Å
371	S	88.8	Confident	92.8	Very high	119 Å²	119	35.8 Å²	35.8	83%	0.832	22%	0.216	S	C	*	.	S	Bend	trans	-115.4	21.7	179.2	-53.3	0	0	0	0	111.7	T375	S371-T375 PolarHBondContact N-OG1 2.67Å
372	G	88.8	Confident	92.9	Very high	26 Å²	26	31.2 Å²	31.2	27%	0.268	19%	0.188	S	C	.	.	S	Bend	trans	138.2	174.4	-172	0	0	0	0	0	111.9	N374 T375	G372-N374 PolarHBondContact O-N 2.81Å; G372-T375 PolarHBondContact N-OG1 3.36Å; G372-T375 PolarHBondContact O-N 3.43Å; G372-T375 PolarHBondContact O-OG1 2.9Å
373	P	88.8	Confident	93.3	Very high	111 Å²	111	30 Å²	30	72%	0.721	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	133.3	-175.2	-24.4	34.4	0	0	0	112.9	T375	P373-T375 VanDerWaalsContact C-N 3.32Å; P373-T375 PolarHBondContact O-N 3.02Å
374	N	89.4	Confident	93.3	Very high	90 Å²	90	26.3 Å²	26.3	48%	0.481	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	28.4	177.6	-55.5	-57.6	0	0	0	115.4	F350 K351 D352 G372	F350-N374 CarbonylContact O-C 3.46Å; F350-N374 VanDerWaalsContact O-C 3.27Å; K351-N374 WeakPolarHBondContact CA-OD1 3.35Å; K351-N374 WeakPolarHBondContact CB-OD1 3.29Å; D352-N374 PolarHBondContact N-OD1 3.3Å; D352-N374 PolarHBondContact OD2-N 2.92Å; G372-N374 PolarHBondContact O-N 2.81Å
375	T	91.6	Very high	93.3	Very high	43 Å²	43	33.1 Å²	33.1	26%	0.264	19%	0.187	S	C	.	.			trans	-109.7	26.3	-178	64.3	0	0	0	0	114.9	S371 G372 P373	S371-T375 PolarHBondContact N-OG1 2.67Å; G372-T375 PolarHBondContact N-OG1 3.36Å; G372-T375 PolarHBondContact O-N 3.43Å; G372-T375 PolarHBondContact O-OG1 2.9Å; P373-T375 VanDerWaalsContact C-N 3.32Å; P373-T375 PolarHBondContact O-N 3.02Å
376	N	92.2	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-66.2	137.4	-178.7	-59.8	-69	0	0	0	112.1	P349 F350 K351 D352 M368	P349-N376 CarbonylContact C-O 3.59Å; P349-N376 VanDerWaalsContact CA-O 3.26Å; P349-N376 WeakPolarHBondContact CA-O 3.22Å; F350-N376 HydrophobicContact CD1-CB 3.84Å; F350-N376 WeakPolarHBondContact CD1-O 3.49Å; F350-N376 HydrophobicContact CD2-CB 3.93Å; F350-N376 HydrophobicContact CE1-CB 3.54Å; F350-N376 HydrophobicContact CE2-CB 3.63Å; F350-N376 HydrophobicContact CG-CB 4.03Å; F350-N376 HydrophobicContact CZ-CB 3.43Å; F350-N376 VanDerWaalsContact CZ-CB 3.43Å; F350-N376 PolarHBondContact N-O 2.85Å; F350-N376 WeakPolarHBondContact O-CB 3.31Å; F350-N376 PolarHBondContact O-N 2.9Å; F350-N376 PolarHBondContact O-ND2 2.98Å; F350-N376 VanDerWaalsContact O-ND2 3.11Å; K351-N376 PolarHBondContact O-ND2 2.75Å; D352-N376 PolarHBondContact OD1-ND2 3.37Å; D352-N376 PolarHBondContact OD1-OD1 2.92Å; M368-N376 HydrophobicContact CB-CB 4.44Å; M368-N376 WeakPolarHBondContact CB-OD1 3.48Å; M368-N376 HydrophobicContact CE-CB 4.39Å
377	K	93.3	Very high	93	Very high	71 Å²	71	35.9 Å²	35.9	31%	0.309	21%	0.207	S	C	.	.			trans	-126.1	-127	179.8	-53.2	-167.9	-164.1	172	0	111.5	N306 G342 M368	N306-K377 PolarHBondContact ND2-O 3.19Å; G342-K377 WeakPolarHBondContact O-CD 3.36Å; M368-K377 WeakPolarHBondContact CE-O 3.2Å
378	S	94.6	Very high	92.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-93.1	-22.8	171.8	59	0	0	0	0	114.4	Y316 G333 G342 E343	Y316-S378 WeakPolarHBondContact CE1-O 3.47Å; Y316-S378 PolarHBondContact OH-O 2.88Å; G333-S378 CarbonylContact O-C 3.6Å; G333-S378 WeakPolarHBondContact O-CB 3.21Å; G333-S378 PolarHBondContact O-OG 3.31Å; G342-S378 WeakPolarHBondContact CA-OG 3.27Å; E343-S378 PolarHBondContact N-OG 2.71Å; E343-S378 VanDerWaalsContact O-CB 3.27Å; E343-S378 WeakPolarHBondContact O-CB 3.46Å; E343-S378 PolarHBondContact O-N 2.81Å
379	Q	94.9	Very high	92.5	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.079	26%	0.259	C	S	.	.			trans	-69.4	139.4	-171.4	-65.2	-166.7	31.3	0	0	112.3	G332 D334 G339 G341 M368 A369	G332-Q379 WeakPolarHBondContact O-CA 3.28Å; D334-Q379 HydrophobicContact CB-CG 4.02Å; G339-Q379 PolarHBondContact O-NE2 2.82Å; G339-Q379 PolarHBondContact O-OE1 3.24Å; G341-Q379 PolarHBondContact O-NE2 3.13Å; M368-Q379 VanDerWaalsContact CE-O 3.29Å; M368-Q379 WeakPolarHBondContact CE-O 3.36Å; A369-Q379 HydrophobicContact CB-CB 3.81Å; A369-Q379 PolarHBondContact N-O 3.25Å
380	F	95.7	Very high	92.4	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162	179.1	65.1	-91.4	0	0	0	110.9	L284 F307 Y316 F321 Q331 G332 L366 S367 F397	L284-F380 HydrophobicContact CD1-CE2 4.41Å; L284-F380 HydrophobicContact CD1-CZ 4.29Å; F307-F380 HydrophobicContact CD2-CD1 4.33Å; F307-F380 AromaticContact CE2-CD1 3.83Å; F307-F380 HydrophobicContact CE2-CD1 3.83Å; F307-F380 AromaticContact CE2-CE1 3.79Å; F307-F380 HydrophobicContact CE2-CE1 3.79Å; F307-F380 HydrophobicContact CE2-CG 4.27Å; F307-F380 HydrophobicContact CE2-CZ 4.18Å; Y316-F380 HydrophobicContact CD1-CE1 4.23Å; Y316-F380 HydrophobicContact CE1-CD1 4.17Å; Y316-F380 AromaticContact CE1-CE1 3.87Å; Y316-F380 HydrophobicContact CE1-CE1 3.87Å; F321-F380 HydrophobicContact CE1-CE2 4.12Å; F321-F380 HydrophobicContact CE1-CZ 4.41Å; Q331-F380 WeakPolarHBondContact CA-O 3.48Å; G332-F380 PolarHBondContact N-O 3.34Å; G332-F380 PolarHBondContact O-N 3.48Å; L366-F380 HydrophobicContact CD1-CB 4.46Å; L366-F380 HydrophobicContact CD1-CD2 3.57Å; L366-F380 HydrophobicContact CD1-CE2 4.18Å; L366-F380 HydrophobicContact CD1-CG 4.3Å; S367-F380 CarbonylContact O-C 3.59Å; S367-F380 VanDerWaalsContact O-CA 3.31Å; S367-F380 WeakPolarHBondContact O-CA 3.14Å; F380-F397 HydrophobicContact CB-CE1 4.08Å; F380-F397 HydrophobicContact CB-CZ 4.12Å
381	F	95.6	Very high	92.2	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.3	172.6	65.6	-91.7	0	0	0	112.1	M329 I330 Q331 H360 S367 M368 A369 T383 L390 H394	M329-F381 HydrophobicContact CB-CD2 4.01Å; M329-F381 HydrophobicContact CG-CD2 4.3Å; M329-F381 HydrophobicContact SD-CB 3.87Å; M329-F381 HydrophobicContact SD-CG 4.32Å; I330-F381 CarbonylContact O-C 3.27Å; I330-F381 WeakPolarHBondContact O-CA 3.42Å; I330-F381 WeakPolarHBondContact O-CB 3.48Å; Q331-F381 HydrophobicContact CB-CB 3.97Å; Q331-F381 HydrophobicContact CG-CB 4.41Å; H360-F381 AromaticContact NE2-CZ 3.8Å; S367-F381 VanDerWaalsContact CB-CZ 3.47Å; S367-F381 PolarHBondContact N-O 3.42Å; S367-F381 PolarHBondContact O-N 2.8Å; M368-F381 WeakPolarHBondContact O-CE1 3.36Å; A369-F381 HydrophobicContact CB-CD1 4.25Å; F381-T383 HydrophobicContact CD2-CG2 4.28Å; F381-T383 HydrophobicContact CE2-CG2 4.01Å; F381-L390 HydrophobicContact CE2-CD1 3.74Å; F381-L390 HydrophobicContact CZ-CD1 3.91Å; F381-H394 HydrophobicContact CE1-CB 3.95Å; F381-H394 AromaticContact CE1-CG 3.72Å; F381-H394 AromaticContact CE1-ND1 3.83Å; F381-H394 HydrophobicContact CZ-CB 3.79Å; F381-H394 AromaticContact CZ-CG 3.77Å
382	I	95.7	Very high	92.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	174.7	-57.9	172.9	0	0	0	108	L291 M329 I330 V365 L366 V400 L407	L291-I382 HydrophobicContact CD1-CD1 4.38Å; M329-I382 CarbonylContact C-O 3.54Å; M329-I382 VanDerWaalsContact CA-O 3.25Å; M329-I382 WeakPolarHBondContact CA-O 3.46Å; M329-I382 WeakPolarHBondContact CB-O 3.25Å; I330-I382 HydrophobicContact CG2-CB 4.06Å; I330-I382 PolarHBondContact N-O 3.24Å; I330-I382 PolarHBondContact O-N 3.13Å; V365-I382 WeakPolarHBondContact O-CA 3.35Å; L366-I382 HydrophobicContact CD1-CD1 4.36Å; L366-I382 HydrophobicContact CD1-CG1 3.67Å; I382-V400 HydrophobicContact CD1-CG2 4.34Å; I382-V400 HydrophobicContact CG2-CG2 3.84Å; I382-L407 HydrophobicContact CB-CD1 4.37Å; I382-L407 HydrophobicContact CG2-CD1 3.73Å; I382-L407 HydrophobicContact CG2-CD2 4.18Å
383	T	95.4	Very high	92.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	142.2	178.4	67	0	0	0	0	112.3	G362 G364 V365 F381 R385	G362-T383 PolarHBondContact O-OG1 2.7Å; G364-T383 WeakPolarHBondContact CA-O 3.25Å; G364-T383 PolarHBondContact N-O 3.02Å; V365-T383 HydrophobicContact CB-CG2 4.31Å; V365-T383 WeakPolarHBondContact CB-OG1 3.44Å; V365-T383 PolarHBondContact N-OG1 3.42Å; V365-T383 VanDerWaalsContact N-OG1 3.14Å; V365-T383 PolarHBondContact O-N 3.49Å; F381-T383 HydrophobicContact CD2-CG2 4.28Å; F381-T383 HydrophobicContact CE2-CG2 4.01Å; T383-R385 WeakPolarHBondContact CB-O 3.29Å; T383-R385 PolarHBondContact OG1-O 2.94Å
384	F	93.7	Very high	92.5	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.031	23%	0.233	C	C	.	.	S	Bend	trans	-90.3	-21.3	171	-67.1	-49.1	0	0	0	112.8	I325 F328 I330 R363 L407 E411	I325-F384 WeakPolarHBondContact O-CD2 3.22Å; F328-F384 PolarHBondContact O-N 3.11Å; I330-F384 HydrophobicContact CB-CE1 4.46Å; I330-F384 HydrophobicContact CB-CE2 3.86Å; I330-F384 HydrophobicContact CB-CZ 3.58Å; I330-F384 HydrophobicContact CD1-CZ 4.4Å; I330-F384 HydrophobicContact CG2-CE1 3.92Å; I330-F384 HydrophobicContact CG2-CE2 4.16Å; I330-F384 HydrophobicContact CG2-CZ 3.52Å; R363-F384 WeakPolarHBondContact CB-O 3.46Å; R363-F384 WeakPolarHBondContact CG-O 3.42Å; R363-F384 PolarHBondContact NH1-O 3.36Å; F384-L407 HydrophobicContact CD1-CD1 4.16Å; F384-L407 HydrophobicContact CD1-CG 4.06Å; F384-L407 HydrophobicContact CE1-CD1 3.64Å; F384-L407 HydrophobicContact CE1-CG 3.85Å; F384-L407 WeakPolarHBondContact CE1-O 3.46Å; F384-E411 HydrophobicContact CD1-CB 4.01Å; F384-E411 HydrophobicContact CD1-CG 4.2Å; F384-E411 HydrophobicContact CD2-CB 4.44Å; F384-E411 HydrophobicContact CD2-CG 4Å; F384-E411 HydrophobicContact CE1-CB 3.62Å; F384-E411 HydrophobicContact CE1-CG 4.2Å; F384-E411 HydrophobicContact CE2-CB 4.08Å; F384-E411 HydrophobicContact CE2-CG 3.99Å; F384-E411 HydrophobicContact CG-CB 4.41Å; F384-E411 HydrophobicContact CG-CG 4.1Å; F384-E411 HydrophobicContact CZ-CB 3.65Å; F384-E411 HydrophobicContact CZ-CG 4.08Å
385	R	92.8	Very high	92.7	Very high	143 Å²	143	39.6 Å²	39.6	54%	0.54	21%	0.21	S	C	.	.	S	Bend	trans	-144	165.7	-177.9	-171.1	-177.1	-70.5	-148.5	-0.5	110	N327 G362 T383 C387	N327-R385 VanDerWaalsContact O-CB 3.26Å; N327-R385 WeakPolarHBondContact O-CB 3.34Å; N327-R385 PolarHBondContact OD1-NH2 3.47Å; G362-R385 CarbonylContact O-C 3.43Å; G362-R385 VanDerWaalsContact O-C 3.27Å; T383-R385 WeakPolarHBondContact CB-O 3.29Å; T383-R385 PolarHBondContact OG1-O 2.94Å; R385-C387 PolarHBondContact O-N 3.01Å; R385-C387 PolarHBondContact O-SG 3.05Å
386	S	93.4	Very high	92.9	Very high	65 Å²	65	38 Å²	38	46%	0.455	20%	0.2	S	C	.	.			trans	-57.6	128.9	165.5	-49.2	0	0	0	0	111.8	H360 G362	H360-S386 CarbonylContact O-C 3.59Å; H360-S386 WeakPolarHBondContact O-CA 3.28Å; G362-S386 PolarHBondContact N-OG 3.42Å; G362-S386 PolarHBondContact O-N 3.04Å
387	C	90.8	Very high	93	Very high	7 Å²	7	38 Å²	38	5%	0.047	20%	0.2	C	C	.	.			trans	-136.2	62.2	-172.9	-67	0	0	0	0	111.8	F328 H360 R385 Y389 L390	F328-C387 VanDerWaalsContact CD2-SG 3.54Å; F328-C387 HydrophobicContact CE2-CB 4.27Å; H360-C387 HydrophobicContact CB-CB 4.23Å; H360-C387 PolarHBondContact O-N 3.35Å; R385-C387 PolarHBondContact O-N 3.01Å; R385-C387 PolarHBondContact O-SG 3.05Å; C387-Y389 HydrophobicContact CB-CE1 4.27Å; C387-Y389 PolarHBondContact O-N 3.06Å; C387-L390 HydrophobicContact CB-CD1 3.79Å; C387-L390 HydrophobicContact CB-CG 4.1Å; C387-L390 WeakPolarHBondContact O-CB 3.29Å; C387-L390 PolarHBondContact O-N 3.4Å
388	A	90.4	Very high	93.1	Very high	70 Å²	70	34.7 Å²	34.7	58%	0.579	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-54.7	-21.7	-173.9	0	0	0	0	0	115.2	L390 D391	A388-L390 PolarHBondContact O-N 2.96Å; A388-D391 WeakPolarHBondContact CA-OD2 3.29Å; A388-D391 VanDerWaalsContact O-CB 3.31Å; A388-D391 WeakPolarHBondContact O-CB 3.22Å; A388-D391 PolarHBondContact O-N 3.44Å; A388-D391 VanDerWaalsContact O-N 3.17Å
389	Y	90.8	Very high	93.1	Very high	131 Å²	131	40.3 Å²	40.3	51%	0.514	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-71.2	-10.4	176.8	74.5	-95.4	0	0	0	114.7	F328 C387 K393	F328-Y389 HydrophobicContact CE2-CE1 4.08Å; F328-Y389 HydrophobicContact CE2-CE2 4.46Å; F328-Y389 AromaticContact CE2-CZ 3.59Å; F328-Y389 WeakPolarHBondContact CE2-OH 3.41Å; F328-Y389 HydrophobicContact CZ-CE2 4.44Å; F328-Y389 AromaticContact CZ-CZ 3.87Å; F328-Y389 WeakPolarHBondContact CZ-OH 3.34Å; C387-Y389 HydrophobicContact CB-CE1 4.27Å; C387-Y389 PolarHBondContact O-N 3.06Å; Y389-K393 WeakPolarHBondContact O-CD 3.37Å; Y389-K393 WeakPolarHBondContact O-CE 3.35Å; Y389-K393 PolarHBondContact O-NZ 3.27Å
390	L	90.9	Very high	93.1	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.052	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-89.7	-12.3	173.2	-59.5	-179.3	0	0	0	112.5	F328 H360 F381 C387 A388 K393 H394	F328-L390 HydrophobicContact CE2-CD1 3.87Å; F328-L390 HydrophobicContact CE2-CG 4.48Å; F328-L390 HydrophobicContact CZ-CD1 4.13Å; F328-L390 HydrophobicContact CZ-CD2 4.36Å; H360-L390 PolarHBondContact CE1-O 3.34Å; H360-L390 VanDerWaalsContact CE1-O 3.32Å; F381-L390 HydrophobicContact CE2-CD1 3.74Å; F381-L390 HydrophobicContact CZ-CD1 3.91Å; C387-L390 HydrophobicContact CB-CD1 3.79Å; C387-L390 HydrophobicContact CB-CG 4.1Å; C387-L390 WeakPolarHBondContact O-CB 3.29Å; C387-L390 PolarHBondContact O-N 3.4Å; A388-L390 PolarHBondContact O-N 2.96Å; L390-K393 PolarHBondContact O-N 3.25Å; L390-K393 VanDerWaalsContact O-N 3.09Å; L390-H394 PolarHBondContact O-N 3.08Å; L390-H394 VanDerWaalsContact O-N 3.14Å
391	D	89.9	Confident	93	Very high	56 Å²	56	42.5 Å²	42.5	30%	0.299	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	136	178.3	-64.3	-25.1	0	0	0	110.5	S359 H360 A388 K393	S359-D391 VanDerWaalsContact CA-OD1 3.31Å; S359-D391 WeakPolarHBondContact CA-OD1 2.98Å; S359-D391 WeakPolarHBondContact CB-OD2 3.22Å; H360-D391 IonicContact CE1-OD1 3.13Å; H360-D391 IonicContact CG-OD1 2.95Å; H360-D391 PolarHBondContact N-OD1 3.27Å; H360-D391 IonicContact ND1-OD1 2.66Å; H360-D391 PolarHBondContact ND1-OD1 3.32Å; A388-D391 WeakPolarHBondContact CA-OD2 3.29Å; A388-D391 VanDerWaalsContact O-CB 3.31Å; A388-D391 WeakPolarHBondContact O-CB 3.22Å; A388-D391 PolarHBondContact O-N 3.44Å; A388-D391 VanDerWaalsContact O-N 3.17Å; D391-K393 PolarHBondContact O-N 3.12Å
392	G	86.1	Confident	92.8	Very high	52 Å²	52	42.9 Å²	42.9	54%	0.536	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	7	-174.1	0	0	0	0	0	115.2	F354	F354-G392 WeakPolarHBondContact CE2-O 3.48Å; F354-G392 VanDerWaalsContact CZ-O 3.23Å; F354-G392 WeakPolarHBondContact CZ-O 3.39Å
393	K	91.4	Very high	92.6	Very high	115 Å²	115	44 Å²	44	50%	0.5	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-39.6	173.3	-61.9	177.4	-172.5	157.3	0	112.7	N370 Y389 L390 D391	N370-K393 PolarHBondContact ND2-O 2.88Å; Y389-K393 WeakPolarHBondContact O-CD 3.37Å; Y389-K393 WeakPolarHBondContact O-CE 3.35Å; Y389-K393 PolarHBondContact O-NZ 3.27Å; L390-K393 PolarHBondContact O-N 3.25Å; L390-K393 VanDerWaalsContact O-N 3.09Å; D391-K393 PolarHBondContact O-N 3.12Å
394	H	93.4	Very high	92.4	Very high	34 Å²	34	48.2 Å²	48.2	16%	0.157	26%	0.258	C	S	.	.	S	Bend	trans	-116.3	138.2	179.6	-62.4	-73.1	0	0	0	111.2	M368 N370 F381 L390 V396	M368-H394 PolarHBondContact O-ND1 2.93Å; N370-H394 PolarHBondContact OD1-CE1 3.03Å; N370-H394 PolarHBondContact OD1-ND1 3.29Å; F381-H394 HydrophobicContact CE1-CB 3.95Å; F381-H394 AromaticContact CE1-CG 3.72Å; F381-H394 AromaticContact CE1-ND1 3.83Å; F381-H394 HydrophobicContact CZ-CB 3.79Å; F381-H394 AromaticContact CZ-CG 3.77Å; L390-H394 PolarHBondContact O-N 3.08Å; L390-H394 VanDerWaalsContact O-N 3.14Å; H394-V396 PolarHBondContact O-N 3.33Å
395	T	94.5	Very high	92.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.			trans	-77.9	103.5	-179.7	-66.7	0	0	0	0	109.4	V300 A303 D352 E353 S367 M368 F397	V300-T395 HydrophobicContact CG1-CG2 3.38Å; A303-T395 HydrophobicContact CB-CG2 4.01Å; D352-T395 WeakPolarHBondContact CA-OG1 3.47Å; D352-T395 PolarHBondContact OD1-OG1 3.35Å; E353-T395 HydrophobicContact CB-CG2 3.98Å; E353-T395 PolarHBondContact N-OG1 2.91Å; S367-T395 WeakPolarHBondContact CA-O 3.3Å; M368-T395 PolarHBondContact N-O 3.25Å; T395-F397 PolarHBondContact O-N 3.04Å
396	V	95.1	Very high	92.4	Very high	10 Å²	10	50 Å²	50	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	114.6	172.2	177.7	0	0	0	0	108.7	V300 L358 H360 V365 H394	V300-V396 WeakPolarHBondContact CG2-O 3.45Å; L358-V396 HydrophobicContact CB-CB 4.18Å; L358-V396 HydrophobicContact CB-CG1 4.22Å; H360-V396 WeakPolarHBondContact CE1-CG2 3.43Å; V365-V396 HydrophobicContact CG1-CB 4.46Å; V365-V396 HydrophobicContact CG1-CG1 3.5Å; V365-V396 HydrophobicContact CG1-CG2 4.17Å; H394-V396 PolarHBondContact O-N 3.33Å
397	F	95	Very high	92.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-4.6	-175.5	73.1	-85.9	0	0	0	114.4	L295 H296 V300 A303 F307 L366 M368 F380 T395	L295-F397 HydrophobicContact CD2-CD2 3.92Å; L295-F397 HydrophobicContact CD2-CE2 3.87Å; H296-F397 PolarHBondContact N-O 3.31Å; V300-F397 HydrophobicContact CB-CB 4.4Å; V300-F397 HydrophobicContact CG1-CB 4Å; A303-F397 HydrophobicContact CB-CB 3.69Å; A303-F397 HydrophobicContact CB-CG 4.13Å; F307-F397 HydrophobicContact CB-CD2 4.42Å; F307-F397 HydrophobicContact CB-CE2 3.73Å; F307-F397 HydrophobicContact CB-CZ 4.37Å; F307-F397 HydrophobicContact CD1-CE2 4.06Å; F307-F397 AromaticContact CD2-CE2 3.71Å; F307-F397 HydrophobicContact CD2-CE2 3.71Å; F307-F397 AromaticContact CD2-CZ 3.7Å; F307-F397 HydrophobicContact CD2-CZ 3.7Å; F307-F397 HydrophobicContact CE2-CE2 4.29Å; F307-F397 HydrophobicContact CE2-CZ 4.13Å; F307-F397 AromaticContact CG-CE2 3.56Å; F307-F397 HydrophobicContact CG-CE2 3.56Å; F307-F397 HydrophobicContact CG-CZ 4.06Å; L366-F397 HydrophobicContact CD1-CE1 4.36Å; L366-F397 HydrophobicContact CD1-CZ 4.02Å; L366-F397 HydrophobicContact CD2-CD2 4.05Å; L366-F397 HydrophobicContact CD2-CE1 4.19Å; L366-F397 HydrophobicContact CD2-CE2 3.39Å; L366-F397 HydrophobicContact CD2-CZ 3.49Å; L366-F397 VanDerWaalsContact CD2-CZ 3.49Å; L366-F397 HydrophobicContact CG-CD1 4.36Å; L366-F397 HydrophobicContact CG-CE1 3.74Å; L366-F397 HydrophobicContact CG-CE2 3.91Å; L366-F397 HydrophobicContact CG-CZ 3.49Å; L366-F397 VanDerWaalsContact CG-CZ 3.49Å; L366-F397 PolarHBondContact O-N 3.35Å; M368-F397 HydrophobicContact CG-CD1 3.75Å; M368-F397 HydrophobicContact CG-CE1 3.93Å; M368-F397 HydrophobicContact SD-CD1 3.78Å; M368-F397 HydrophobicContact SD-CE1 3.41Å; M368-F397 WeakPolarHBondContact SD-CE1 3.43Å; M368-F397 HydrophobicContact SD-CZ 3.97Å; F380-F397 HydrophobicContact CB-CE1 4.08Å; F380-F397 HydrophobicContact CB-CZ 4.12Å; T395-F397 PolarHBondContact O-N 3.04Å
398	G	94.6	Very high	92.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	-166.6	175	0	0	0	0	0	114.5	E294 L366	E294-G398 CarbonylContact O-C 3.59Å; E294-G398 WeakPolarHBondContact O-CA 3.35Å; L366-G398 PolarHBondContact N-O 3.14Å; L366-G398 PolarHBondContact O-N 2.99Å
399	R	94.8	Very high	92.5	Very high	119 Å²	119	47.8 Å²	47.8	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.5	174.2	64	-178.5	-175.6	168.3	3.4	112.1	L293 E294 G364 V401	L293-R399 WeakPolarHBondContact CA-O 3.45Å; E294-R399 HydrophobicContact CB-CG 4.18Å; E294-R399 PolarHBondContact N-O 2.89Å; E294-R399 PolarHBondContact O-N 3.24Å; E294-R399 IonicContact OE1-CZ 3.73Å; E294-R399 IonicContact OE1-NE 3.76Å; E294-R399 IonicContact OE1-NH2 3.44Å; E294-R399 PolarHBondContact OE1-NH2 3.32Å; E294-R399 IonicContact OE2-CZ 2.73Å; E294-R399 IonicContact OE2-NE 3.01Å; E294-R399 PolarHBondContact OE2-NE 2.86Å; E294-R399 IonicContact OE2-NH2 3.53Å; E294-R399 PolarHBondContact OE2-NH2 3.36Å; G364-R399 CarbonylContact O-C 3.59Å; G364-R399 VanDerWaalsContact O-CA 3.26Å; G364-R399 WeakPolarHBondContact O-CA 3.31Å; R399-V401 HydrophobicContact CG-CG1 4.19Å
400	V	95.4	Very high	92.5	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.6	166.7	-178.3	0	0	0	0	108.8	L291 N292 L293 G364 I382 G402 F404 L407	L291-V400 HydrophobicContact CD2-CG1 3.98Å; N292-V400 WeakPolarHBondContact O-CA 3.38Å; L293-V400 HydrophobicContact CD2-CB 4.41Å; L293-V400 HydrophobicContact CD2-CG2 3.72Å; G364-V400 PolarHBondContact O-N 2.91Å; I382-V400 HydrophobicContact CD1-CG2 4.34Å; I382-V400 HydrophobicContact CG2-CG2 3.84Å; V400-G402 WeakPolarHBondContact CG1-O 3.2Å; V400-F404 HydrophobicContact CB-CE1 4.15Å; V400-F404 HydrophobicContact CB-CZ 4.38Å; V400-F404 HydrophobicContact CG1-CD1 4.26Å; V400-F404 HydrophobicContact CG1-CE1 3.99Å; V400-F404 HydrophobicContact CG1-CZ 4.15Å; V400-F404 WeakPolarHBondContact O-CZ 3.39Å; V400-L407 HydrophobicContact CG2-CD2 4.48Å
401	V	93.6	Very high	92.5	Very high	58 Å²	58	41.9 Å²	41.9	35%	0.352	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-14.7	176	-68.8	0	0	0	0	113.5	N292 E294 R399	N292-V401 HydrophobicContact CB-CG2 3.96Å; N292-V401 WeakPolarHBondContact O-CG2 3.19Å; N292-V401 PolarHBondContact O-N 3Å; E294-V401 HydrophobicContact CB-CG1 3.54Å; E294-V401 HydrophobicContact CB-CG2 4.31Å; E294-V401 HydrophobicContact CG-CG1 4.47Å; E294-V401 VanDerWaalsContact OE2-CG1 3.26Å; E294-V401 WeakPolarHBondContact OE2-CG1 3.31Å; R399-V401 HydrophobicContact CG-CG1 4.19Å
402	G	91.6	Very high	92.6	Very high	16 Å²	16	44 Å²	44	17%	0.165	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	157.4	175.2	0	0	0	0	0	111.2	N292 V400	N292-G402 PolarHBondContact N-O 3.42Å; N292-G402 PolarHBondContact O-N 2.73Å; V400-G402 WeakPolarHBondContact CG1-O 3.2Å
403	G	91.1	Very high	92.8	Very high	25 Å²	25	42.2 Å²	42.2	26%	0.258	22%	0.222	S	C	.	.			trans	86.3	25.2	-171.2	0	0	0	0	0	114	D290 L291 E405 T406 L407	D290-G403 WeakPolarHBondContact O-CA 3.48Å; L291-G403 WeakPolarHBondContact CD2-O 3.24Å; G403-E405 PolarHBondContact O-N 2.96Å; G403-T406 WeakPolarHBondContact O-CA 3.45Å; G403-T406 VanDerWaalsContact O-CB 3.31Å; G403-T406 WeakPolarHBondContact O-CB 3.4Å; G403-T406 PolarHBondContact O-N 3.23Å; G403-L407 PolarHBondContact O-N 2.77Å
404	F	91.8	Very high	92.6	Very high	88 Å²	88	42.9 Å²	42.9	39%	0.386	23%	0.226	S	C	.	.	H	α-helix	trans	-59.8	-26.8	175.7	-69.1	-75.8	0	0	0	113.2	V400 L407 T408	V400-F404 HydrophobicContact CB-CE1 4.15Å; V400-F404 HydrophobicContact CB-CZ 4.38Å; V400-F404 HydrophobicContact CG1-CD1 4.26Å; V400-F404 HydrophobicContact CG1-CE1 3.99Å; V400-F404 HydrophobicContact CG1-CZ 4.15Å; V400-F404 WeakPolarHBondContact O-CZ 3.39Å; F404-L407 HydrophobicContact CD1-CD2 4.49Å; F404-T408 WeakPolarHBondContact O-CB 3.14Å; F404-T408 PolarHBondContact O-N 2.85Å; F404-T408 PolarHBondContact O-OG1 3.2Å
405	E	93.2	Very high	92.3	Very high	173 Å²	173	43 Å²	43	81%	0.808	23%	0.23	S	C	*	.	H	α-helix	trans	-63.4	-50.6	169.8	-66.6	174.7	-165	0	0	110.9	G403 L407 T408 A409	G403-E405 PolarHBondContact O-N 2.96Å; E405-L407 PolarHBondContact O-N 3.45Å; E405-T408 CarbonylContact O-C 3.55Å; E405-T408 WeakPolarHBondContact O-CA 3.19Å; E405-T408 WeakPolarHBondContact O-CB 3.48Å; E405-T408 PolarHBondContact O-N 3.15Å; E405-A409 PolarHBondContact O-N 3.2Å
406	T	92	Very high	91.9	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-47.1	172.9	-56.9	0	0	0	0	111.7	K288 D290 L291 G403 T408 A409 M410	K288-T406 HydrophobicContact CB-CG2 4.1Å; D290-T406 PolarHBondContact O-OG1 2.83Å; L291-T406 HydrophobicContact CD1-CG2 4.38Å; L291-T406 HydrophobicContact CG-CG2 3.99Å; G403-T406 WeakPolarHBondContact O-CA 3.45Å; G403-T406 VanDerWaalsContact O-CB 3.31Å; G403-T406 WeakPolarHBondContact O-CB 3.4Å; G403-T406 PolarHBondContact O-N 3.23Å; T406-T408 PolarHBondContact O-N 3.4Å; T406-A409 PolarHBondContact O-N 2.87Å; T406-A409 VanDerWaalsContact O-N 3.16Å; T406-M410 HydrophobicContact CG2-SD 4.09Å; T406-M410 VanDerWaalsContact O-CG 3.25Å; T406-M410 WeakPolarHBondContact O-CG 3.4Å; T406-M410 PolarHBondContact O-N 3.31Å
407	L	92.3	Very high	91.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-36.1	176.6	-171.3	65	0	0	0	112.1	L291 I330 R363 I382 F384 V400 G403 F404 E405 E411	L291-L407 HydrophobicContact CD2-CB 4.09Å; I330-L407 HydrophobicContact CG2-CD1 4.38Å; R363-L407 HydrophobicContact CG-CD2 4.09Å; I382-L407 HydrophobicContact CB-CD1 4.37Å; I382-L407 HydrophobicContact CG2-CD1 3.73Å; I382-L407 HydrophobicContact CG2-CD2 4.18Å; F384-L407 HydrophobicContact CD1-CD1 4.16Å; F384-L407 HydrophobicContact CD1-CG 4.06Å; F384-L407 HydrophobicContact CE1-CD1 3.64Å; F384-L407 HydrophobicContact CE1-CG 3.85Å; F384-L407 WeakPolarHBondContact CE1-O 3.46Å; V400-L407 HydrophobicContact CG2-CD2 4.48Å; G403-L407 PolarHBondContact O-N 2.77Å; F404-L407 HydrophobicContact CD1-CD2 4.49Å; E405-L407 PolarHBondContact O-N 3.45Å; L407-E411 PolarHBondContact O-N 3.03Å
408	T	92.4	Very high	90.6	Very high	53 Å²	53	60.6 Å²	60.6	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-77.6	-34.5	178.3	-54.2	0	0	0	0	111.8	R363 F404 E405 T406 M410 E411 N412	R363-T408 PolarHBondContact NH2-OG1 3.09Å; F404-T408 WeakPolarHBondContact O-CB 3.14Å; F404-T408 PolarHBondContact O-N 2.85Å; F404-T408 PolarHBondContact O-OG1 3.2Å; E405-T408 CarbonylContact O-C 3.55Å; E405-T408 WeakPolarHBondContact O-CA 3.19Å; E405-T408 WeakPolarHBondContact O-CB 3.48Å; E405-T408 PolarHBondContact O-N 3.15Å; T406-T408 PolarHBondContact O-N 3.4Å; T408-M410 VanDerWaalsContact C-N 3.32Å; T408-E411 PolarHBondContact O-N 3.37Å; T408-N412 WeakPolarHBondContact O-CB 3.36Å; T408-N412 VanDerWaalsContact O-CG 3.3Å; T408-N412 PolarHBondContact O-N 2.82Å; T408-N412 PolarHBondContact O-ND2 3.47Å
409	A	91.8	Very high	89.8	Confident	43 Å²	43	64 Å²	64	36%	0.355	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-35.9	170.9	0	0	0	0	0	111.8	E405 T406	E405-A409 PolarHBondContact O-N 3.2Å; T406-A409 PolarHBondContact O-N 2.87Å; T406-A409 VanDerWaalsContact O-N 3.16Å
410	M	90.9	Very high	89.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.5	-39	172.3	-66.3	165.3	89.3	0	0	112.2	K288 L291 F321 I330 T406 T408 V413 I426	K288-M410 HydrophobicContact CB-CG 4.15Å; K288-M410 HydrophobicContact CG-CG 4.15Å; L291-M410 HydrophobicContact CD1-CE 4.3Å; L291-M410 HydrophobicContact CD1-SD 3.7Å; F321-M410 HydrophobicContact CD1-CE 4.33Å; F321-M410 HydrophobicContact CD2-CE 3.66Å; F321-M410 HydrophobicContact CE1-CE 4.16Å; F321-M410 HydrophobicContact CE2-CE 3.46Å; F321-M410 VanDerWaalsContact CE2-CE 3.46Å; F321-M410 HydrophobicContact CG-CE 4.09Å; F321-M410 HydrophobicContact CZ-CE 3.73Å; I330-M410 HydrophobicContact CD1-CB 4.04Å; I330-M410 HydrophobicContact CD1-CE 3.9Å; T406-M410 HydrophobicContact CG2-SD 4.09Å; T406-M410 VanDerWaalsContact O-CG 3.25Å; T406-M410 WeakPolarHBondContact O-CG 3.4Å; T406-M410 PolarHBondContact O-N 3.31Å; T408-M410 VanDerWaalsContact C-N 3.32Å; M410-V413 PolarHBondContact O-N 2.91Å; M410-I426 HydrophobicContact CB-CD1 4.01Å; M410-I426 HydrophobicContact CE-CG2 3.63Å; M410-I426 HydrophobicContact CG-CD1 4.23Å; M410-I426 HydrophobicContact CG-CG2 4.02Å
411	E	91.8	Very high	89.1	Confident	16 Å²	16	64.5 Å²	64.5	8%	0.075	35%	0.349	C	S	.	.	H	α-helix	trans	-68.5	-32.5	176.6	-174.8	169.1	-165.1	0	0	113.5	R326 N327 R363 F384 L407 T408 V413	R326-E411 HydrophobicContact CG-CG 3.92Å; N327-E411 VanDerWaalsContact CA-OE1 3.32Å; N327-E411 WeakPolarHBondContact CA-OE1 3.47Å; N327-E411 PolarHBondContact N-OE1 2.98Å; R363-E411 IonicContact CZ-OE2 2.73Å; R363-E411 IonicContact NH1-OE2 3.16Å; R363-E411 PolarHBondContact NH1-OE2 3.47Å; R363-E411 IonicContact NH2-OE2 3.49Å; R363-E411 PolarHBondContact NH2-OE2 2.93Å; F384-E411 HydrophobicContact CD1-CB 4.01Å; F384-E411 HydrophobicContact CD1-CG 4.2Å; F384-E411 HydrophobicContact CD2-CB 4.44Å; F384-E411 HydrophobicContact CD2-CG 4Å; F384-E411 HydrophobicContact CE1-CB 3.62Å; F384-E411 HydrophobicContact CE1-CG 4.2Å; F384-E411 HydrophobicContact CE2-CB 4.08Å; F384-E411 HydrophobicContact CE2-CG 3.99Å; F384-E411 HydrophobicContact CG-CB 4.41Å; F384-E411 HydrophobicContact CG-CG 4.1Å; F384-E411 HydrophobicContact CZ-CB 3.65Å; F384-E411 HydrophobicContact CZ-CG 4.08Å; L407-E411 PolarHBondContact O-N 3.03Å; T408-E411 PolarHBondContact O-N 3.37Å; E411-V413 PolarHBondContact O-N 2.92Å
412	N	91	Very high	88.8	Confident	100 Å²	100	62.7 Å²	62.7	54%	0.535	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.3	179.5	-74.2	-26.9	0	0	0	113.6	T408 E414	T408-N412 WeakPolarHBondContact O-CB 3.36Å; T408-N412 VanDerWaalsContact O-CG 3.3Å; T408-N412 PolarHBondContact O-N 2.82Å; T408-N412 PolarHBondContact O-ND2 3.47Å; N412-E414 PolarHBondContact O-N 3.32Å
413	V	90.2	Very high	88.6	Confident	16 Å²	16	68.6 Å²	68.6	10%	0.097	36%	0.359	C	S	.	.	S	Bend	trans	-69.8	125.3	173	175	0	0	0	0	109.9	M410 E411 C415 P422 S424 I426	M410-V413 PolarHBondContact O-N 2.91Å; E411-V413 PolarHBondContact O-N 2.92Å; V413-C415 PolarHBondContact O-N 3.43Å; V413-C415 PolarHBondContact O-SG 3.23Å; V413-C415 VanDerWaalsContact O-SG 3.32Å; V413-P422 HydrophobicContact CG1-CB 3.8Å; V413-S424 WeakPolarHBondContact CG1-OG 3.12Å; V413-S424 WeakPolarHBondContact CG2-OG 3.37Å; V413-I426 HydrophobicContact CB-CD1 4.22Å; V413-I426 HydrophobicContact CG2-CD1 3.93Å; V413-I426 HydrophobicContact CG2-CG1 4.29Å
414	E	88.1	Confident	88.4	Confident	128 Å²	128	69.7 Å²	69.7	60%	0.598	36%	0.362	S	S	*	.			trans	-58.8	133.9	171.5	-68	-171.4	-175.9	0	0	111.1	N412 K423	N412-E414 PolarHBondContact O-N 3.32Å; E414-K423 HydrophobicContact CB-CD 3.87Å; E414-K423 HydrophobicContact CB-CG 4.37Å; E414-K423 WeakPolarHBondContact O-CB 3.48Å; E414-K423 WeakPolarHBondContact O-CG 3.43Å; E414-K423 PolarHBondContact O-N 2.87Å; E414-K423 IonicContact OE2-NZ 2.9Å; E414-K423 PolarHBondContact OE2-NZ 3.36Å
415	C	87.7	Confident	88.2	Confident	36 Å²	36	70.2 Å²	70.2	24%	0.243	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-113.5	153	178.5	-59.5	0	0	0	0	110.4	S324 V413 K421	S324-C415 PolarHBondContact O-SG 2.99Å; V413-C415 PolarHBondContact O-N 3.43Å; V413-C415 PolarHBondContact O-SG 3.23Å; V413-C415 VanDerWaalsContact O-SG 3.32Å; C415-K421 CarbonylContact C-O 3.5Å; C415-K421 VanDerWaalsContact CA-O 3.31Å; C415-K421 WeakPolarHBondContact CA-O 3.5Å
416	D	86.7	Confident	88.2	Confident	58 Å²	58	62 Å²	62	31%	0.31	33%	0.328	S	S	.	.			trans	-71.1	128.6	172	170.6	30.9	0	0	0	110.7	K418 T419 D420 K421	D416-K418 PolarHBondContact O-N 2.85Å; D416-K418 PolarHBondContact OD1-N 3.1Å; D416-K418 VanDerWaalsContact OD1-N 3.16Å; D416-T419 PolarHBondContact O-N 3.13Å; D416-T419 WeakPolarHBondContact OD2-CB 3.44Å; D416-T419 WeakPolarHBondContact OD2-CG2 3.39Å; D416-T419 PolarHBondContact OD2-N 3.35Å; D416-T419 PolarHBondContact OD2-OG1 3.5Å; D416-D420 WeakPolarHBondContact O-CA 3.34Å; D416-D420 PolarHBondContact O-N 2.85Å; D416-K421 PolarHBondContact N-O 2.9Å
417	T	79.4	Confident	88.2	Confident	134 Å²	134	64.9 Å²	64.9	82%	0.822	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.7	-177.7	54.8	0	0	0	0	114
418	K	81.8	Confident	88.2	Confident	189 Å²	189	65 Å²	65	82%	0.822	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-27.5	179	-70.7	-174.1	178.2	-179.4	0	114.6	D416	D416-K418 PolarHBondContact O-N 2.85Å; D416-K418 PolarHBondContact OD1-N 3.1Å; D416-K418 VanDerWaalsContact OD1-N 3.16Å
419	T	79.4	Confident	88.3	Confident	73 Å²	73	67.5 Å²	67.5	45%	0.448	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-2.1	-171.4	61.4	0	0	0	0	114.3	D416 K421	D416-T419 PolarHBondContact O-N 3.13Å; D416-T419 WeakPolarHBondContact OD2-CB 3.44Å; D416-T419 WeakPolarHBondContact OD2-CG2 3.39Å; D416-T419 PolarHBondContact OD2-N 3.35Å; D416-T419 PolarHBondContact OD2-OG1 3.5Å; T419-K421 PolarHBondContact O-N 2.95Å; T419-K421 WeakPolarHBondContact OG1-CB 3.44Å
420	D	86.5	Confident	88.4	Confident	48 Å²	48	67.2 Å²	67.2	26%	0.257	35%	0.345	S	S	.	.			trans	54.4	13.8	-170.4	-60.6	-29	0	0	0	113.6	R323 S324 I325 D416	R323-D420 WeakPolarHBondContact CA-O 3.46Å; R323-D420 HydrophobicContact CG-CB 3.76Å; R323-D420 IonicContact CZ-OD2 3.34Å; R323-D420 IonicContact NE-OD2 3.77Å; R323-D420 PolarHBondContact NE-OD2 2.91Å; R323-D420 IonicContact NH2-OD2 3.3Å; R323-D420 PolarHBondContact NH2-OD2 2.89Å; S324-D420 PolarHBondContact N-O 3.4Å; I325-D420 WeakPolarHBondContact CD1-OD2 3.22Å; I325-D420 HydrophobicContact CG1-CB 4.17Å; D416-D420 WeakPolarHBondContact O-CA 3.34Å; D416-D420 PolarHBondContact O-N 2.85Å
421	K	87.5	Confident	88.5	Confident	87 Å²	87	68 Å²	68	38%	0.378	35%	0.35	S	S	.	.			trans	-80.9	131.3	-176.9	-69.4	-164.6	168.7	-162.8	0	111.1	H322 G337 C415 D416 T419 K423	H322-K421 WeakPolarHBondContact O-CG 3.08Å; G337-K421 PolarHBondContact O-NZ 3.32Å; C415-K421 CarbonylContact C-O 3.5Å; C415-K421 VanDerWaalsContact CA-O 3.31Å; C415-K421 WeakPolarHBondContact CA-O 3.5Å; D416-K421 PolarHBondContact N-O 2.9Å; T419-K421 PolarHBondContact O-N 2.95Å; T419-K421 WeakPolarHBondContact OG1-CB 3.44Å; K421-K423 PolarHBondContact O-N 3.24Å
422	P	88.6	Confident	88.6	Confident	19 Å²	19	69.8 Å²	69.8	12%	0.123	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-59.1	130.4	171.7	-23.8	34.1	0	0	0	111.9	F321 V413 S424 I426	F321-P422 WeakPolarHBondContact O-CD 3.2Å; F321-P422 WeakPolarHBondContact O-CG 3.42Å; V413-P422 HydrophobicContact CG1-CB 3.8Å; P422-S424 WeakPolarHBondContact CB-O 3.25Å; P422-I426 HydrophobicContact CB-CD1 4.28Å; P422-I426 HydrophobicContact CB-CG1 4.3Å; P422-I426 HydrophobicContact CG-CD1 4.29Å
423	K	87.6	Confident	88.6	Confident	141 Å²	141	66.7 Å²	66.7	61%	0.613	35%	0.347	S	S	*	.	S	Bend	trans	-67	-41.6	176.2	-66.2	-176.4	-170.3	173.1	0	111.9	E414 K421	E414-K423 HydrophobicContact CB-CD 3.87Å; E414-K423 HydrophobicContact CB-CG 4.37Å; E414-K423 WeakPolarHBondContact O-CB 3.48Å; E414-K423 WeakPolarHBondContact O-CG 3.43Å; E414-K423 PolarHBondContact O-N 2.87Å; E414-K423 IonicContact OE2-NZ 2.9Å; E414-K423 PolarHBondContact OE2-NZ 3.36Å; K421-K423 PolarHBondContact O-N 3.24Å
424	S	86.9	Confident	88.6	Confident	47 Å²	47	71.1 Å²	71.1	33%	0.329	37%	0.365	S	S	.	.	S	Bend	trans	-90.1	115.1	167.4	84.5	0	0	0	0	108.2	V413 P422 I426	V413-S424 WeakPolarHBondContact CG1-OG 3.12Å; V413-S424 WeakPolarHBondContact CG2-OG 3.37Å; P422-S424 WeakPolarHBondContact CB-O 3.25Å; S424-I426 WeakPolarHBondContact O-CG1 3.43Å; S424-I426 PolarHBondContact O-N 2.97Å
425	E	87.4	Confident	88.6	Confident	99 Å²	99	67.3 Å²	67.3	46%	0.463	35%	0.351	S	S	.	.			trans	-56.6	126.1	-177.9	-160.8	-178.4	-167.7	0	0	111.1	N287 I320 K427	N287-E425 PolarHBondContact ND2-O 3.23Å; I320-E425 HydrophobicContact CG2-CG 3.9Å; I320-E425 WeakPolarHBondContact CG2-OE1 3.38Å; E425-K427 HydrophobicContact CG-CG 4.36Å; E425-K427 WeakPolarHBondContact OE1-CE 3.4Å; E425-K427 IonicContact OE1-NZ 2.79Å; E425-K427 PolarHBondContact OE1-NZ 3.43Å; E425-K427 WeakPolarHBondContact OE2-CE 3.18Å; E425-K427 IonicContact OE2-NZ 2.93Å; E425-K427 PolarHBondContact OE2-NZ 2.94Å
426	I	91.4	Very high	88.6	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	34%	0.344	C	S	.	.			trans	-105.1	114.6	177.3	-50.6	175.7	0	0	0	107.3	N287 K288 I320 F321 I330 M410 V413 P422 S424	N287-I426 WeakPolarHBondContact OD1-CA 3.18Å; K288-I426 HydrophobicContact CG-CG2 4.36Å; I320-I426 WeakPolarHBondContact CA-O 3.36Å; F321-I426 HydrophobicContact CB-CB 4.28Å; F321-I426 HydrophobicContact CD2-CB 4.17Å; F321-I426 HydrophobicContact CD2-CG2 3.7Å; F321-I426 HydrophobicContact CE2-CG2 4.35Å; F321-I426 HydrophobicContact CG-CG2 4.47Å; F321-I426 PolarHBondContact N-O 2.95Å; I330-I426 HydrophobicContact CD1-CD1 3.94Å; M410-I426 HydrophobicContact CB-CD1 4.01Å; M410-I426 HydrophobicContact CE-CG2 3.63Å; M410-I426 HydrophobicContact CG-CD1 4.23Å; M410-I426 HydrophobicContact CG-CG2 4.02Å; V413-I426 HydrophobicContact CB-CD1 4.22Å; V413-I426 HydrophobicContact CG2-CD1 3.93Å; V413-I426 HydrophobicContact CG2-CG1 4.29Å; P422-I426 HydrophobicContact CB-CD1 4.28Å; P422-I426 HydrophobicContact CB-CG1 4.3Å; P422-I426 HydrophobicContact CG-CD1 4.29Å; S424-I426 WeakPolarHBondContact O-CG1 3.43Å; S424-I426 PolarHBondContact O-N 2.97Å
427	K	92.8	Very high	88.6	Confident	75 Å²	75	64 Å²	64	33%	0.326	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-111.8	138	-175.3	-83.6	175.7	171	148.3	0	111.3	T286 N287 I320 E425	T286-K427 CarbonylContact C-O 3.6Å; T286-K427 VanDerWaalsContact CA-O 3.24Å; T286-K427 WeakPolarHBondContact CA-O 3.42Å; T286-K427 WeakPolarHBondContact CB-O 3.31Å; N287-K427 PolarHBondContact N-O 3.07Å; N287-K427 PolarHBondContact OD1-N 2.86Å; I320-K427 HydrophobicContact CG2-CG 3.74Å; E425-K427 HydrophobicContact CG-CG 4.36Å; E425-K427 WeakPolarHBondContact OE1-CE 3.4Å; E425-K427 IonicContact OE1-NZ 2.79Å; E425-K427 PolarHBondContact OE1-NZ 3.43Å; E425-K427 WeakPolarHBondContact OE2-CE 3.18Å; E425-K427 IonicContact OE2-NZ 2.93Å; E425-K427 PolarHBondContact OE2-NZ 2.94Å
428	L	93.4	Very high	88.8	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.4	159.6	-149.7	99.1	0	0	0	107.7	L284 T286 Y316 G318 T319 F321 T431	L284-L428 HydrophobicContact CB-CD1 3.86Å; L284-L428 HydrophobicContact CD1-CD1 3.93Å; L284-L428 HydrophobicContact CD2-CD1 4.2Å; L284-L428 HydrophobicContact CD2-CD2 4.45Å; L284-L428 HydrophobicContact CG-CD1 4.21Å; T286-L428 HydrophobicContact CG2-CD1 4.18Å; Y316-L428 VanDerWaalsContact CB-CD2 3.43Å; Y316-L428 WeakPolarHBondContact O-CD2 3.45Å; G318-L428 CarbonylContact C-O 3.47Å; G318-L428 WeakPolarHBondContact CA-O 3.46Å; G318-L428 PolarHBondContact N-O 3.3Å; T319-L428 PolarHBondContact O-N 3.38Å; F321-L428 HydrophobicContact CE2-CD1 3.99Å; F321-L428 HydrophobicContact CZ-CD1 3.94Å; L428-T431 HydrophobicContact CD2-CG2 3.46Å; L428-T431 VanDerWaalsContact CD2-CG2 3.46Å
429	I	93.4	Very high	88.8	Confident	105 Å²	105	54.2 Å²	54.2	54%	0.538	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-52.7	-178.6	-61.3	171.8	0	0	0	109	H285 N287	H285-I429 PolarHBondContact O-N 3.27Å; N287-I429 HydrophobicContact CB-CD1 4.45Å
430	S	93.2	Very high	88.8	Confident	37 Å²	37	54.3 Å²	54.3	26%	0.259	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163.9	178.9	61.2	0	0	0	0	111.8	H285 D317	H285-S430 PolarHBondContact CD2-OG 3.42Å; H285-S430 PolarHBondContact N-O 3.2Å; H285-S430 PolarHBondContact O-N 2.7Å; D317-S430 WeakPolarHBondContact OD1-CA 3.28Å
431	T	93.6	Very high	88.6	Confident	16 Å²	16	52.1 Å²	52.1	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.2	171.7	61.2	0	0	0	0	111.6	L284 C311 D317 L428	L284-T431 HydrophobicContact CD2-CG2 3.57Å; C311-T431 VanDerWaalsContact CA-OG1 3.28Å; C311-T431 WeakPolarHBondContact CA-OG1 3.36Å; C311-T431 HydrophobicContact CB-CG2 4.47Å; C311-T431 WeakPolarHBondContact CB-OG1 3.48Å; C311-T431 PolarHBondContact O-OG1 3.29Å; D317-T431 PolarHBondContact OD1-N 3.26Å; L428-T431 HydrophobicContact CD2-CG2 3.46Å; L428-T431 VanDerWaalsContact CD2-CG2 3.46Å
432	T	93.4	Very high	88.3	Confident	55 Å²	55	51.1 Å²	51.1	34%	0.337	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	118.4	177.1	-63.4	0	0	0	0	109.5	V282 R283 F434	V282-T432 CarbonylContact C-O 3.56Å; V282-T432 WeakPolarHBondContact CA-O 3.2Å; R283-T432 PolarHBondContact N-O 3.11Å; R283-T432 PolarHBondContact O-N 2.93Å; T432-F434 HydrophobicContact CG2-CD1 4.34Å; T432-F434 HydrophobicContact CG2-CE1 4.12Å
433	V	92.7	Very high	88.1	Confident	34 Å²	34	53.2 Å²	53.2	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.3	176.8	-176.5	0	0	0	0	108.2	V282 I308 C311 K312 D436	V282-V433 HydrophobicContact CG2-CG1 4.36Å; V282-V433 HydrophobicContact CG2-CG2 4.16Å; I308-V433 HydrophobicContact CG2-CG1 4.09Å; I308-V433 HydrophobicContact CG2-CG2 4.31Å; C311-V433 HydrophobicContact CB-CG2 3.81Å; K312-V433 HydrophobicContact CG-CG2 4.16Å; V433-D436 HydrophobicContact CG1-CB 4.07Å
434	F	89.1	Confident	87.8	Confident	109 Å²	109	51.1 Å²	51.1	48%	0.478	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-37	177.8	-70.7	-54	0	0	0	112.8	Y281 R283 T432	Y281-F434 PolarHBondContact O-N 2.99Å; R283-F434 HydrophobicContact CB-CD2 4.33Å; R283-F434 HydrophobicContact CB-CE2 3.59Å; R283-F434 HydrophobicContact CB-CZ 4.04Å; T432-F434 HydrophobicContact CG2-CD1 4.34Å; T432-F434 HydrophobicContact CG2-CE1 4.12Å
435	V	88.6	Confident	87.6	Confident	49 Å²	49	49.6 Å²	49.6	30%	0.297	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	111.4	-178.9	-179.6	0	0	0	0	107.7	G280 Y281 P437	G280-V435 WeakPolarHBondContact CA-O 3.03Å; Y281-V435 HydrophobicContact CD2-CB 4.02Å; Y281-V435 HydrophobicContact CD2-CG2 3.88Å; Y281-V435 PolarHBondContact N-O 2.91Å; Y281-V435 PolarHBondContact O-N 3.15Å; V435-P437 WeakPolarHBondContact O-CD 3.45Å
436	D	87.9	Confident	87.4	Confident	21 Å²	21	47 Å²	47	11%	0.112	26%	0.256	C	S	.	.			trans	-101.9	101.5	170.1	-169	-18	0	0	0	109.6	I308 K312 V433 Y438	I308-D436 HydrophobicContact CG2-CB 4.42Å; I308-D436 WeakPolarHBondContact CG2-OD2 3.48Å; K312-D436 WeakPolarHBondContact CE-OD2 3.42Å; K312-D436 IonicContact NZ-OD2 2.67Å; K312-D436 PolarHBondContact NZ-OD2 2.83Å; V433-D436 HydrophobicContact CG1-CB 4.07Å; D436-Y438 PolarHBondContact O-N 2.93Å; D436-Y438 WeakPolarHBondContact OD1-CA 3.34Å; D436-Y438 VanDerWaalsContact OD1-CB 3.3Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.4Å; D436-Y438 WeakPolarHBondContact OD1-CD2 3.49Å; D436-Y438 PolarHBondContact OD1-N 2.84Å
437	P	85.3	Confident	87.1	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-73.7	-11.1	179.6	33.9	-36.9	0	0	0	112.6	V276 K278 C297 V435 A441	V276-P437 HydrophobicContact CG1-CB 4.28Å; V276-P437 HydrophobicContact CG1-CG 4.31Å; K278-P437 HydrophobicContact CB-CB 3.83Å; K278-P437 WeakPolarHBondContact O-CB 3.13Å; K278-P437 VanDerWaalsContact O-CG 3.32Å; K278-P437 WeakPolarHBondContact O-CG 3.27Å; C297-P437 HydrophobicContact CB-CG 3.86Å; V435-P437 WeakPolarHBondContact O-CD 3.45Å; P437-A441 PolarHBondContact O-N 3.46Å
438	Y	84.5	Confident	86.7	Confident	3 Å²	3	49 Å²	49	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-86.3	-22	-177.9	-58.3	-83	0	0	0	112.9	R272 Y273 V276 C297 P301 E305 I308 D436 D442	R272-Y438 PolarHBondContact NH2-O 3.14Å; Y273-Y438 HydrophobicContact CD1-CE1 4.3Å; Y273-Y438 HydrophobicContact CE1-CE1 4.29Å; V276-Y438 HydrophobicContact CB-CE1 4.41Å; V276-Y438 HydrophobicContact CG1-CD1 4.37Å; V276-Y438 HydrophobicContact CG1-CE1 3.96Å; V276-Y438 HydrophobicContact CG2-CD1 3.51Å; V276-Y438 HydrophobicContact CG2-CE1 3.74Å; V276-Y438 HydrophobicContact CG2-CG 4.38Å; C297-Y438 HydrophobicContact CB-CE2 4.16Å; C297-Y438 WeakPolarHBondContact CB-OH 3.49Å; P301-Y438 WeakPolarHBondContact CA-OH 3.33Å; P301-Y438 HydrophobicContact CB-CE1 4.48Å; P301-Y438 PolarHBondContact O-OH 3.09Å; E305-Y438 HydrophobicContact CB-CD1 4.26Å; E305-Y438 HydrophobicContact CB-CD2 4.48Å; E305-Y438 HydrophobicContact CB-CE1 3.84Å; E305-Y438 HydrophobicContact CB-CE2 4.07Å; E305-Y438 HydrophobicContact CG-CD1 4.47Å; E305-Y438 PolarHBondContact N-OH 2.91Å; E305-Y438 VanDerWaalsContact N-OH 3.13Å; I308-Y438 HydrophobicContact CD1-CD2 4.04Å; I308-Y438 HydrophobicContact CD1-CE2 3.9Å; D436-Y438 PolarHBondContact O-N 2.93Å; D436-Y438 WeakPolarHBondContact OD1-CA 3.34Å; D436-Y438 VanDerWaalsContact OD1-CB 3.3Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.4Å; D436-Y438 WeakPolarHBondContact OD1-CD2 3.49Å; D436-Y438 PolarHBondContact OD1-N 2.84Å; Y438-D442 PolarHBondContact O-N 2.96Å; Y438-D442 VanDerWaalsContact O-N 3.16Å
439	E	81.6	Confident	86.2	Confident	114 Å²	114	52.3 Å²	52.3	53%	0.533	29%	0.285	S	S	.	.	H	α-helix	trans	-74.7	-39.8	171.9	-80.9	178.2	157.7	0	0	111.6	K312 A441 D442 A443	K312-E439 IonicContact NZ-OE1 3.73Å; K312-E439 PolarHBondContact NZ-OE1 2.88Å; K312-E439 IonicContact NZ-OE2 2.84Å; K312-E439 PolarHBondContact NZ-OE2 3.35Å; E439-A441 VanDerWaalsContact C-N 3.29Å; E439-A441 PolarHBondContact O-N 3.08Å; E439-D442 PolarHBondContact O-N 3.48Å; E439-A443 WeakPolarHBondContact O-CB 3.48Å; E439-A443 PolarHBondContact O-N 2.74Å
440	E	80.5	Confident	85.8	Confident	75 Å²	75	53 Å²	53	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-39.3	172.7	-64.5	-171	-175.4	0	0	111.9	K278 Q444	K278-E440 VanDerWaalsContact CD-OE2 3.32Å; K278-E440 WeakPolarHBondContact CD-OE2 3.22Å; K278-E440 VanDerWaalsContact CE-OE2 3.32Å; K278-E440 WeakPolarHBondContact CE-OE2 3.4Å; K278-E440 IonicContact NZ-OE1 2.72Å; K278-E440 PolarHBondContact NZ-OE1 3.3Å; K278-E440 IonicContact NZ-OE2 2.65Å; K278-E440 PolarHBondContact NZ-OE2 3.42Å; E440-Q444 WeakPolarHBondContact O-CB 3.25Å; E440-Q444 VanDerWaalsContact O-CG 3.28Å; E440-Q444 WeakPolarHBondContact O-CG 3.13Å; E440-Q444 PolarHBondContact O-N 3.07Å
441	A	81.1	Confident	85.4	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-44	176.7	0	0	0	0	0	112	R272 V276 P437 E439 Q444 I445	R272-A441 HydrophobicContact CG-CB 4.48Å; V276-A441 HydrophobicContact CG2-CB 3.85Å; P437-A441 PolarHBondContact O-N 3.46Å; E439-A441 VanDerWaalsContact C-N 3.29Å; E439-A441 PolarHBondContact O-N 3.08Å; A441-Q444 PolarHBondContact O-N 2.77Å; A441-I445 WeakPolarHBondContact O-CG1 3.1Å; A441-I445 PolarHBondContact O-N 2.95Å
442	D	82.1	Confident	84.9	Confident	65 Å²	65	58.6 Å²	58.6	35%	0.348	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.6	-80.8	-3	0	0	0	111.8	R272 Y438 E439 Q444 I445 A446	R272-D442 IonicContact CZ-OD1 2.71Å; R272-D442 IonicContact CZ-OD2 2.89Å; R272-D442 IonicContact NE-OD1 2.69Å; R272-D442 PolarHBondContact NE-OD1 2.94Å; R272-D442 IonicContact NH1-OD1 3.86Å; R272-D442 PolarHBondContact NH1-OD1 3.41Å; R272-D442 IonicContact NH1-OD2 3.37Å; R272-D442 PolarHBondContact NH1-OD2 3.4Å; R272-D442 IonicContact NH2-OD1 3.49Å; R272-D442 PolarHBondContact NH2-OD1 3.34Å; R272-D442 IonicContact NH2-OD2 2.88Å; R272-D442 PolarHBondContact NH2-OD2 2.9Å; Y438-D442 PolarHBondContact O-N 2.96Å; Y438-D442 VanDerWaalsContact O-N 3.16Å; E439-D442 PolarHBondContact O-N 3.48Å; D442-Q444 VanDerWaalsContact C-N 3.35Å; D442-Q444 PolarHBondContact O-N 3.37Å; D442-I445 PolarHBondContact O-N 2.9Å; D442-A446 WeakPolarHBondContact O-CB 3.44Å; D442-A446 PolarHBondContact O-N 2.84Å
443	A	83.3	Confident	84.4	Confident	63 Å²	63	60.4 Å²	60.4	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-38.5	178	0	0	0	0	0	112.4	E439 A447	E439-A443 WeakPolarHBondContact O-CB 3.48Å; E439-A443 PolarHBondContact O-N 2.74Å; A443-A447 WeakPolarHBondContact O-CB 3.26Å; A443-A447 PolarHBondContact O-N 3.41Å
444	Q	81.5	Confident	84.1	Confident	97 Å²	97	64.2 Å²	64.2	45%	0.453	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-46.2	174.6	-75.4	172	34.3	0	0	111.9	Y275 E440 A441 D442 A447 E448	Y275-Q444 HydrophobicContact CD1-CB 4.4Å; E440-Q444 WeakPolarHBondContact O-CB 3.25Å; E440-Q444 VanDerWaalsContact O-CG 3.28Å; E440-Q444 WeakPolarHBondContact O-CG 3.13Å; E440-Q444 PolarHBondContact O-N 3.07Å; A441-Q444 PolarHBondContact O-N 2.77Å; D442-Q444 VanDerWaalsContact C-N 3.35Å; D442-Q444 PolarHBondContact O-N 3.37Å; Q444-A447 PolarHBondContact O-N 2.93Å; Q444-E448 WeakPolarHBondContact O-CB 3.41Å; Q444-E448 PolarHBondContact O-N 2.7Å
445	I	82.8	Confident	83.9	Confident	16 Å²	16	65.1 Å²	65.1	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-40.3	180	-69.1	165.7	0	0	0	111.1	V271 R272 Y275 A441 D442 E448 R449	V271-I445 HydrophobicContact CG1-CD1 4.25Å; R272-I445 HydrophobicContact CB-CD1 4.3Å; Y275-I445 HydrophobicContact CD1-CG1 4.35Å; Y275-I445 HydrophobicContact CD2-CD1 3.81Å; Y275-I445 HydrophobicContact CD2-CG1 3.91Å; Y275-I445 HydrophobicContact CE1-CG1 4.36Å; Y275-I445 HydrophobicContact CE2-CD1 4.18Å; Y275-I445 HydrophobicContact CE2-CG1 3.96Å; Y275-I445 HydrophobicContact CG-CD1 4.23Å; Y275-I445 HydrophobicContact CG-CG1 4.12Å; A441-I445 WeakPolarHBondContact O-CG1 3.1Å; A441-I445 PolarHBondContact O-N 2.95Å; D442-I445 PolarHBondContact O-N 2.9Å; I445-E448 PolarHBondContact O-N 3.11Å; I445-R449 HydrophobicContact CG2-CG 4.4Å; I445-R449 WeakPolarHBondContact O-CB 3.31Å; I445-R449 WeakPolarHBondContact O-CG 2.96Å; I445-R449 PolarHBondContact O-N 3.43Å
446	A	82.9	Confident	83.6	Confident	45 Å²	45	65.1 Å²	65.1	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-50.6	173.9	0	0	0	0	0	111.3	D442 E448 R449 E450	D442-A446 WeakPolarHBondContact O-CB 3.44Å; D442-A446 PolarHBondContact O-N 2.84Å; A446-E448 VanDerWaalsContact C-N 3.29Å; A446-E448 PolarHBondContact O-N 2.96Å; A446-R449 PolarHBondContact O-N 3.02Å; A446-E450 WeakPolarHBondContact O-CG 3.47Å; A446-E450 PolarHBondContact O-N 3.11Å
447	A	84.8	Confident	83.4	Confident	38 Å²	38	69.6 Å²	69.6	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-27.6	179.4	0	0	0	0	0	113.7	A443 Q444 K451	A443-A447 WeakPolarHBondContact O-CB 3.26Å; A443-A447 PolarHBondContact O-N 3.41Å; Q444-A447 PolarHBondContact O-N 2.93Å; A447-K451 WeakPolarHBondContact O-CD 3.47Å; A447-K451 VanDerWaalsContact O-CG 3.25Å; A447-K451 WeakPolarHBondContact O-CG 3.45Å; A447-K451 PolarHBondContact O-N 2.85Å
448	E	84.1	Confident	83.5	Confident	80 Å²	80	74.6 Å²	74.6	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-75.7	-45.5	173.7	-163.9	166.5	-157	0	0	111.3	I236 Y275 Q444 I445 A446 E450 K451 E452	I236-E448 HydrophobicContact CD1-CB 4.07Å; I236-E448 HydrophobicContact CD1-CG 3.83Å; Y275-E448 WeakPolarHBondContact CE1-OE2 3.33Å; Y275-E448 PolarHBondContact OH-OE2 3.29Å; Q444-E448 WeakPolarHBondContact O-CB 3.41Å; Q444-E448 PolarHBondContact O-N 2.7Å; I445-E448 PolarHBondContact O-N 3.11Å; A446-E448 VanDerWaalsContact C-N 3.29Å; A446-E448 PolarHBondContact O-N 2.96Å; E448-E450 PolarHBondContact O-N 3.22Å; E448-K451 PolarHBondContact O-N 2.73Å; E448-E452 PolarHBondContact O-N 3.01Å
449	R	84.1	Confident	83.5	Confident	71 Å²	71	79.5 Å²	79.5	27%	0.268	40%	0.395	S	S	.	.	H	α-helix	trans	-59	-43	174.2	-73.3	179.8	-179.2	-170	-1.2	112.1	D234 I236 D268 I445 A446 K451 E452 L453	D234-R449 IonicContact OD2-NE 2.68Å; I236-R449 HydrophobicContact CD1-CG 3.81Å; D268-R449 IonicContact OD1-CZ 3.6Å; D268-R449 IonicContact OD1-NH1 2.73Å; D268-R449 IonicContact OD1-NH2 3.25Å; D268-R449 PolarHBondContact OD1-NH2 2.82Å; I445-R449 HydrophobicContact CG2-CG 4.4Å; I445-R449 WeakPolarHBondContact O-CB 3.31Å; I445-R449 WeakPolarHBondContact O-CG 2.96Å; I445-R449 PolarHBondContact O-N 3.43Å; A446-R449 PolarHBondContact O-N 3.02Å; R449-K451 PolarHBondContact O-N 3.14Å; R449-E452 PolarHBondContact O-N 3.18Å; R449-L453 WeakPolarHBondContact O-CG 3.42Å; R449-L453 PolarHBondContact O-N 2.99Å
450	E	84	Confident	83.5	Confident	119 Å²	119	79.3 Å²	79.3	56%	0.556	39%	0.392	S	S	*	.	H	α-helix	trans	-60.1	-43.9	175.8	-76.1	175.2	-174.8	0	0	112.6	A446 E448 L453 Q454	A446-E450 WeakPolarHBondContact O-CG 3.47Å; A446-E450 PolarHBondContact O-N 3.11Å; E448-E450 PolarHBondContact O-N 3.22Å; E450-L453 PolarHBondContact O-N 3.36Å; E450-Q454 WeakPolarHBondContact O-CG 2.97Å; E450-Q454 PolarHBondContact O-N 3.19Å
451	K	85.1	Confident	83.5	Confident	130 Å²	130	81.6 Å²	81.6	57%	0.565	40%	0.403	S	S	*	.	H	α-helix	trans	-67.1	-35	176.7	-72.4	169.3	-173	171.1	0	112.6	A447 E448 R449 K455	A447-K451 WeakPolarHBondContact O-CD 3.47Å; A447-K451 VanDerWaalsContact O-CG 3.25Å; A447-K451 WeakPolarHBondContact O-CG 3.45Å; A447-K451 PolarHBondContact O-N 2.85Å; E448-K451 PolarHBondContact O-N 2.73Å; R449-K451 PolarHBondContact O-N 3.14Å; K451-K455 WeakPolarHBondContact O-CG 3.35Å; K451-K455 PolarHBondContact O-N 3.02Å; K451-K455 VanDerWaalsContact O-N 3.16Å
452	E	83.9	Confident	83.4	Confident	41 Å²	41	87.8 Å²	87.8	19%	0.192	43%	0.431	C	S	.	.	H	α-helix	trans	-68.6	-40.2	174	-70.8	-147.9	127.3	0	0	112.1	K235 E448 R449 K455 Q456	K235-E452 WeakPolarHBondContact CD-OE1 3.24Å; E448-E452 PolarHBondContact O-N 3.01Å; R449-E452 PolarHBondContact O-N 3.18Å; E452-K455 PolarHBondContact O-N 3.44Å; E452-Q456 WeakPolarHBondContact O-CB 3.42Å; E452-Q456 WeakPolarHBondContact O-CG 3.46Å; E452-Q456 PolarHBondContact O-N 2.83Å
453	L	82.9	Confident	83.3	Confident	92 Å²	92	88.4 Å²	88.4	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-47.6	175.7	-73.1	168.5	0	0	0	111.3	R449 E450 K455 Q456 E457	R449-L453 WeakPolarHBondContact O-CG 3.42Å; R449-L453 PolarHBondContact O-N 2.99Å; E450-L453 PolarHBondContact O-N 3.36Å; L453-K455 PolarHBondContact O-N 3.2Å; L453-Q456 PolarHBondContact O-N 2.88Å; L453-E457 WeakPolarHBondContact O-CG 3.39Å; L453-E457 PolarHBondContact O-N 3.25Å
454	Q	85.4	Confident	83.1	Confident	114 Å²	114	90 Å²	90	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-56.5	-49.2	175.7	-72.1	170.8	0.1	0	0	111.9	E450 Q456 E457 E458	E450-Q454 WeakPolarHBondContact O-CG 2.97Å; E450-Q454 PolarHBondContact O-N 3.19Å; Q454-Q456 PolarHBondContact O-N 3Å; Q454-E457 PolarHBondContact O-N 3.18Å; Q454-E457 VanDerWaalsContact O-N 3.17Å; Q454-E458 WeakPolarHBondContact O-CG 3.26Å; Q454-E458 PolarHBondContact O-N 2.9Å
455	K	85.3	Confident	82.7	Confident	128 Å²	128	92 Å²	92	56%	0.557	45%	0.448	S	S	*	.	H	α-helix	trans	-60.5	-41.8	176.4	-73.7	176.1	179.6	-179.3	0	112.9	K451 E452 L453 E457 E458 E459	K451-K455 WeakPolarHBondContact O-CG 3.35Å; K451-K455 PolarHBondContact O-N 3.02Å; K451-K455 VanDerWaalsContact O-N 3.16Å; E452-K455 PolarHBondContact O-N 3.44Å; L453-K455 PolarHBondContact O-N 3.2Å; K455-E457 VanDerWaalsContact C-N 3.31Å; K455-E457 PolarHBondContact O-N 3.11Å; K455-E458 PolarHBondContact O-N 3.04Å; K455-E459 WeakPolarHBondContact O-CB 3.31Å; K455-E459 WeakPolarHBondContact O-CG 3.39Å; K455-E459 PolarHBondContact O-N 3.03Å
456	Q	82.6	Confident	82.3	Confident	49 Å²	49	94 Å²	94	23%	0.229	47%	0.468	C	S	.	.	H	α-helix	trans	-65.5	-34.4	176.9	-75	-175.7	42.1	0	0	112.4	E452 L453 Q454 K460	E452-Q456 WeakPolarHBondContact O-CB 3.42Å; E452-Q456 WeakPolarHBondContact O-CG 3.46Å; E452-Q456 PolarHBondContact O-N 2.83Å; L453-Q456 PolarHBondContact O-N 2.88Å; Q454-Q456 PolarHBondContact O-N 3Å; Q456-K460 VanDerWaalsContact O-CB 3.28Å; Q456-K460 WeakPolarHBondContact O-CB 3.33Å; Q456-K460 VanDerWaalsContact O-CD 3.29Å; Q456-K460 WeakPolarHBondContact O-CD 3.37Å; Q456-K460 WeakPolarHBondContact O-CG 3.44Å; Q456-K460 PolarHBondContact O-N 3.36Å
457	E	84.6	Confident	81.8	Confident	115 Å²	115	97 Å²	97	54%	0.537	48%	0.477	S	S	.	.	H	α-helix	trans	-69	-43	174.6	-73.1	-179.1	178	0	0	111.5	L453 Q454 K455 K460 Q461	L453-E457 WeakPolarHBondContact O-CG 3.39Å; L453-E457 PolarHBondContact O-N 3.25Å; Q454-E457 PolarHBondContact O-N 3.18Å; Q454-E457 VanDerWaalsContact O-N 3.17Å; K455-E457 VanDerWaalsContact C-N 3.31Å; K455-E457 PolarHBondContact O-N 3.11Å; E457-K460 PolarHBondContact O-N 3.2Å; E457-Q461 WeakPolarHBondContact O-CB 3.21Å; E457-Q461 VanDerWaalsContact O-CG 3.27Å; E457-Q461 WeakPolarHBondContact O-CG 3.47Å; E457-Q461 PolarHBondContact O-N 3.17Å
458	E	85.9	Confident	81.2	Confident	109 Å²	109	102.2 Å²	102.2	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-48.8	172.8	-70.5	175.5	-178.9	0	0	112	Q454 K455 K460 Q461 Q462	Q454-E458 WeakPolarHBondContact O-CG 3.26Å; Q454-E458 PolarHBondContact O-N 2.9Å; K455-E458 PolarHBondContact O-N 3.04Å; E458-K460 VanDerWaalsContact C-N 3.34Å; E458-K460 PolarHBondContact O-N 3.17Å; E458-Q461 PolarHBondContact O-N 2.94Å; E458-Q461 VanDerWaalsContact O-N 3.17Å; E458-Q462 WeakPolarHBondContact O-CG 3.34Å; E458-Q462 PolarHBondContact O-N 3.17Å
459	E	84.3	Confident	80.4	Confident	106 Å²	106	105 Å²	105	50%	0.495	50%	0.503	S	S	.	.	H	α-helix	trans	-59.8	-41.3	176.1	-75.1	174.2	-176.9	0	0	111.7	K455 Q462 T463	K455-E459 WeakPolarHBondContact O-CB 3.31Å; K455-E459 WeakPolarHBondContact O-CG 3.39Å; K455-E459 PolarHBondContact O-N 3.03Å; E459-Q462 PolarHBondContact O-N 3.28Å; E459-T463 WeakPolarHBondContact O-CB 3.36Å; E459-T463 WeakPolarHBondContact O-CG2 3.21Å; E459-T463 PolarHBondContact O-N 2.78Å; E459-T463 PolarHBondContact O-OG1 3.23Å
460	K	82.9	Confident	79.5	Confident	111 Å²	111	103.9 Å²	103.9	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-36.3	174.9	-76.1	165.2	-168.6	158.6	0	112.3	Q456 E457 E458 T463 N464	Q456-K460 VanDerWaalsContact O-CB 3.28Å; Q456-K460 WeakPolarHBondContact O-CB 3.33Å; Q456-K460 VanDerWaalsContact O-CD 3.29Å; Q456-K460 WeakPolarHBondContact O-CD 3.37Å; Q456-K460 WeakPolarHBondContact O-CG 3.44Å; Q456-K460 PolarHBondContact O-N 3.36Å; E457-K460 PolarHBondContact O-N 3.2Å; E458-K460 VanDerWaalsContact C-N 3.34Å; E458-K460 PolarHBondContact O-N 3.17Å; K460-T463 WeakPolarHBondContact CA-OG1 3.45Å; K460-T463 PolarHBondContact O-OG1 3.46Å; K460-N464 VanDerWaalsContact O-CB 3.27Å; K460-N464 WeakPolarHBondContact O-CB 3.33Å; K460-N464 VanDerWaalsContact O-CG 3.32Å; K460-N464 PolarHBondContact O-N 3.43Å; K460-N464 PolarHBondContact O-ND2 2.61Å
461	Q	80.3	Confident	78.4	Confident	123 Å²	123	106.1 Å²	106.1	58%	0.575	52%	0.517	S	S	*	.	H	α-helix	trans	-68.4	-46.8	175.3	-73	175.2	33	0	0	110.9	E457 E458 N464 M465	E457-Q461 WeakPolarHBondContact O-CB 3.21Å; E457-Q461 VanDerWaalsContact O-CG 3.27Å; E457-Q461 WeakPolarHBondContact O-CG 3.47Å; E457-Q461 PolarHBondContact O-N 3.17Å; E458-Q461 PolarHBondContact O-N 2.94Å; E458-Q461 VanDerWaalsContact O-N 3.17Å; Q461-N464 PolarHBondContact O-N 2.84Å; Q461-M465 WeakPolarHBondContact O-CG 3.35Å; Q461-M465 PolarHBondContact O-N 2.96Å
462	Q	79.6	Confident	77.2	Confident	132 Å²	132	106.7 Å²	106.7	62%	0.617	52%	0.521	S	S	*	.	H	α-helix	trans	-61.9	-46	178.1	-70	178.6	24.8	0	0	112.3	E458 E459 M465 A466	E458-Q462 WeakPolarHBondContact O-CG 3.34Å; E458-Q462 PolarHBondContact O-N 3.17Å; E459-Q462 PolarHBondContact O-N 3.28Å; Q462-M465 PolarHBondContact O-N 2.89Å; Q462-A466 WeakPolarHBondContact O-CB 3.35Å; Q462-A466 PolarHBondContact O-N 2.84Å
463	T	79	Confident	76.1	Confident	78 Å²	78	110.6 Å²	110.6	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.9	48.1	0	0	0	0	112.5	E459 K460 A466 L467	E459-T463 WeakPolarHBondContact O-CB 3.36Å; E459-T463 WeakPolarHBondContact O-CG2 3.21Å; E459-T463 PolarHBondContact O-N 2.78Å; E459-T463 PolarHBondContact O-OG1 3.23Å; K460-T463 WeakPolarHBondContact CA-OG1 3.45Å; K460-T463 PolarHBondContact O-OG1 3.46Å; T463-A466 PolarHBondContact O-N 3.44Å; T463-L467 WeakPolarHBondContact O-CB 3.24Å; T463-L467 PolarHBondContact O-N 3.28Å
464	N	78.9	Confident	74.9	Confident	95 Å²	95	114.2 Å²	114.2	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-66.4	-36.6	173.4	-81.3	-52	0	0	0	113	K460 Q461 K468	K460-N464 VanDerWaalsContact O-CB 3.27Å; K460-N464 WeakPolarHBondContact O-CB 3.33Å; K460-N464 VanDerWaalsContact O-CG 3.32Å; K460-N464 PolarHBondContact O-N 3.43Å; K460-N464 PolarHBondContact O-ND2 2.61Å; Q461-N464 PolarHBondContact O-N 2.84Å; N464-K468 WeakPolarHBondContact O-CG 3.37Å; N464-K468 PolarHBondContact O-N 2.8Å
465	M	73.7	Confident	73.6	Confident	139 Å²	139	111.4 Å²	111.4	69%	0.685	55%	0.554	S	S	*	*	H	α-helix	trans	-66	-42	172.6	-72.5	-178.4	78.9	0	0	111.5	Q461 Q462 K468 K469	Q461-M465 WeakPolarHBondContact O-CG 3.35Å; Q461-M465 PolarHBondContact O-N 2.96Å; Q462-M465 PolarHBondContact O-N 2.89Å; M465-K468 PolarHBondContact O-N 2.61Å; M465-K469 WeakPolarHBondContact O-CB 3.34Å; M465-K469 PolarHBondContact O-N 2.86Å
466	A	74.8	Confident	72.3	Confident	60 Å²	60	109.5 Å²	109.5	50%	0.496	56%	0.555	S	S	.	*	H	α-helix	trans	-63.5	-42.1	175	0	0	0	0	0	112.4	Q462 T463 K469 A470	Q462-A466 WeakPolarHBondContact O-CB 3.35Å; Q462-A466 PolarHBondContact O-N 2.84Å; T463-A466 PolarHBondContact O-N 3.44Å; A466-K469 PolarHBondContact O-N 3.21Å; A466-A470 WeakPolarHBondContact O-CB 3.37Å; A466-A470 PolarHBondContact O-N 3.34Å
467	L	72.4	Confident	71.3	Confident	106 Å²	106	115.2 Å²	115.2	56%	0.555	58%	0.579	S	S	*	*	H	α-helix	trans	-65.3	-36.9	175.7	-86.1	159.1	0	0	0	113.1	T463 K471	T463-L467 WeakPolarHBondContact O-CB 3.24Å; T463-L467 PolarHBondContact O-N 3.28Å; L467-K471 PolarHBondContact O-N 3.05Å; L467-K471 VanDerWaalsContact O-N 3.14Å
468	K	70.5	Confident	69.9	Low	149 Å²	149	114.9 Å²	114.9	65%	0.648	59%	0.586	S	S	*	*	H	α-helix	trans	-63.4	-49.6	171.3	-80.2	-176.2	176.3	-176.3	0	111.1	N464 M465 A470 K471 E472	N464-K468 WeakPolarHBondContact O-CG 3.37Å; N464-K468 PolarHBondContact O-N 2.8Å; M465-K468 PolarHBondContact O-N 2.61Å; K468-A470 PolarHBondContact O-N 2.96Å; K468-K471 WeakPolarHBondContact O-CB 3.26Å; K468-K471 PolarHBondContact O-N 2.64Å; K468-K471 VanDerWaalsContact O-N 3.09Å; K468-E472 PolarHBondContact O-N 3.36Å
469	K	68.1	Low	68.5	Low	139 Å²	139	116.2 Å²	116.2	60%	0.604	59%	0.59	S	S	*	*	H	α-helix	trans	-60.6	-42.8	179.7	-166.7	174	-177.7	179.6	0	112.4	M465 A466 K471 E472 D473	M465-K469 WeakPolarHBondContact O-CB 3.34Å; M465-K469 PolarHBondContact O-N 2.86Å; A466-K469 PolarHBondContact O-N 3.21Å; K469-K471 VanDerWaalsContact C-N 3.31Å; K469-K471 PolarHBondContact O-N 2.92Å; K469-E472 PolarHBondContact O-N 3.02Å; K469-E472 VanDerWaalsContact O-N 3.16Å; K469-D473 PolarHBondContact O-N 2.94Å
470	A	64.9	Low	67.3	Low	47 Å²	47	120.5 Å²	120.5	39%	0.388	61%	0.607	S	S	.	*	H	α-helix	trans	-64.2	-32.2	175.1	0	0	0	0	0	113.4	A466 K468 Q474	A466-A470 WeakPolarHBondContact O-CB 3.37Å; A466-A470 PolarHBondContact O-N 3.34Å; K468-A470 PolarHBondContact O-N 2.96Å; A470-Q474 WeakPolarHBondContact O-CB 3.46Å; A470-Q474 WeakPolarHBondContact O-CG 3.43Å; A470-Q474 PolarHBondContact O-N 3.38Å; A470-Q474 VanDerWaalsContact O-N 3.11Å
471	K	61.7	Low	65.9	Low	165 Å²	165	124.1 Å²	124.1	72%	0.717	63%	0.626	S	S	*	*	H	α-helix	trans	-72.4	-32.9	172.2	-84.8	-175.2	172.7	-178.7	0	113.1	L467 K468 K469 A475	L467-K471 PolarHBondContact O-N 3.05Å; L467-K471 VanDerWaalsContact O-N 3.14Å; K468-K471 WeakPolarHBondContact O-CB 3.26Å; K468-K471 PolarHBondContact O-N 2.64Å; K468-K471 VanDerWaalsContact O-N 3.09Å; K469-K471 VanDerWaalsContact C-N 3.31Å; K469-K471 PolarHBondContact O-N 2.92Å; K471-A475 PolarHBondContact O-N 2.99Å
472	E	60.2	Low	65	Low	142 Å²	142	122 Å²	122	66%	0.664	64%	0.637	S	S	*	*	H	α-helix	trans	-68.6	-43.3	172.8	-71.3	172.7	166.8	0	0	111	K468 K469 Q474 A475	K468-E472 PolarHBondContact O-N 3.36Å; K469-E472 PolarHBondContact O-N 3.02Å; K469-E472 VanDerWaalsContact O-N 3.16Å; E472-Q474 VanDerWaalsContact C-N 3.32Å; E472-Q474 PolarHBondContact O-N 2.95Å; E472-A475 WeakPolarHBondContact O-CB 3.22Å; E472-A475 PolarHBondContact O-N 3.43Å
473	D	60.8	Low	63.8	Low	124 Å²	124	121.3 Å²	121.3	66%	0.663	64%	0.641	S	S	*	*	H	α-helix	trans	-68.6	-26.4	177.4	-75.9	-37.8	0	0	0	113.6	K469	K469-D473 PolarHBondContact O-N 2.94Å
474	Q	58	Low	62.7	Low	167 Å²	167	119.7 Å²	119.7	78%	0.78	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	1.2	174	-72.5	-172.4	1.2	0	0	114.5	A470 E472	A470-Q474 WeakPolarHBondContact O-CB 3.46Å; A470-Q474 WeakPolarHBondContact O-CG 3.43Å; A470-Q474 PolarHBondContact O-N 3.38Å; A470-Q474 VanDerWaalsContact O-N 3.11Å; E472-Q474 VanDerWaalsContact C-N 3.32Å; E472-Q474 PolarHBondContact O-N 2.95Å
475	A	56.7	Low	61.6	Low	55 Å²	55	121.3 Å²	121.3	46%	0.455	64%	0.642	S	S	.	*	S	Bend	trans	-64.5	130.3	173.8	0	0	0	0	0	110.4	K471 E472 K477	K471-A475 PolarHBondContact O-N 2.99Å; E472-A475 WeakPolarHBondContact O-CB 3.22Å; E472-A475 PolarHBondContact O-N 3.43Å; A475-K477 PolarHBondContact O-N 2.76Å; A475-K477 VanDerWaalsContact O-N 3.11Å
476	P	58	Low	60.8	Low	89 Å²	89	122.8 Å²	122.8	58%	0.578	64%	0.642	S	S	*	*			trans	-66.8	115.7	-176.2	26.4	-34	0	0	0	110.6	T478 Y486	P476-T478 PolarHBondContact O-N 2.99Å; P476-Y486 HydrophobicContact CB-CD1 4.39Å; P476-Y486 HydrophobicContact CB-CE1 3.96Å; P476-Y486 HydrophobicContact CG-CE1 4.22Å
477	K	61.2	Low	60	Low	168 Å²	168	125.4 Å²	125.4	73%	0.73	65%	0.646	S	S	*	*			trans	-63.3	116.2	-179.2	-66	-179.6	-179.5	177.6	0	110.4	A475 F479	A475-K477 PolarHBondContact O-N 2.76Å; A475-K477 VanDerWaalsContact O-N 3.11Å; K477-F479 HydrophobicContact CB-CE2 4.06Å; K477-F479 WeakPolarHBondContact O-CD2 3.26Å
478	T	55.4	Low	59.4	Low	109 Å²	109	124.7 Å²	124.7	67%	0.669	64%	0.643	S	S	*	*			trans	-79.8	123	-179.7	44.9	0	0	0	0	111.2	P476	P476-T478 PolarHBondContact O-N 2.99Å
479	F	58	Low	58.7	Low	136 Å²	136	122.3 Å²	122.3	60%	0.596	64%	0.642	S	S	*	*			trans	-108.1	93.8	177.8	-77.9	-85.7	0	0	0	111.2	K477	K477-F479 HydrophobicContact CB-CE2 4.06Å; K477-F479 WeakPolarHBondContact O-CD2 3.26Å
480	K	58.8	Low	58.3	Low	196 Å²	196	119.5 Å²	119.5	85%	0.852	65%	0.645	S	S	*	*			trans	52.4	143.8	173.7	-77.5	-168.9	173.6	-174.2	0	118.2	G482	K480-G482 PolarHBondContact O-N 2.83Å
481	E	53.4	Low	58.1	Low	188 Å²	188	121.5 Å²	121.5	88%	0.879	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	103.1	175.3	-60	-174.3	132.7	0	0	110.5
482	G	60	Low	57.7	Low	78 Å²	78	117.5 Å²	117.5	80%	0.804	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.2	-31	170.7	0	0	0	0	0	116	K480	K480-G482 PolarHBondContact O-N 2.83Å
483	V	54.8	Low	57	Low	117 Å²	117	119.8 Å²	119.8	71%	0.709	67%	0.667	S	S	*	*	S	Bend	trans	-127.1	140.9	173	-174.7	0	0	0	0	107.5	K485	V483-K485 PolarHBondContact O-N 2.61Å
484	G	55.7	Low	56	Low	44 Å²	44	125.2 Å²	125.2	45%	0.454	68%	0.678	S	S	.	*			trans	-35.9	122.6	-162.2	0	0	0	0	0	115.4	Y486 I487	G484-Y486 PolarHBondContact O-N 2.8Å; G484-I487 PolarHBondContact O-N 2.86Å
485	K	56.8	Low	55.3	Low	130 Å²	130	123.6 Å²	123.6	57%	0.565	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.9	-8.9	-161.3	-71	-173.9	172.6	-175.1	0	118.8	V483	V483-K485 PolarHBondContact O-N 2.61Å
486	Y	56.8	Low	54.6	Low	170 Å²	170	126 Å²	126	67%	0.667	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.3	10.9	-176.1	-52.9	-63.2	0	0	0	114	P476 G484	P476-Y486 HydrophobicContact CB-CD1 4.39Å; P476-Y486 HydrophobicContact CB-CE1 3.96Å; P476-Y486 HydrophobicContact CG-CE1 4.22Å; G484-Y486 PolarHBondContact O-N 2.8Å
487	I	57.8	Low	53.4	Low	114 Å²	114	126 Å²	126	59%	0.585	71%	0.71	S	S	*	*			trans	-98.1	119.6	-177.9	-59.7	176.6	0	0	0	110.1	G484 P489	G484-I487 PolarHBondContact O-N 2.86Å; I487-P489 WeakPolarHBondContact O-CD 3.36Å
488	N	59.7	Low	52.1	Low	92 Å²	92	127.2 Å²	127.2	49%	0.492	72%	0.718	S	S	.	*			trans	-84.8	112.5	175.7	-176.8	-6.9	0	0	0	110.7	A490 A491	N488-A490 PolarHBondContact O-N 3.17Å; N488-A490 WeakPolarHBondContact OD1-CB 3.45Å; N488-A490 PolarHBondContact OD1-N 3.39Å; N488-A490 VanDerWaalsContact OD1-N 3.16Å; N488-A491 PolarHBondContact O-N 2.58Å
489	P	57	Low	51	Low	98 Å²	98	129.3 Å²	129.3	64%	0.636	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-67.7	-16.9	-174.9	28	-35.7	0	0	0	114.1	I487 A491	I487-P489 WeakPolarHBondContact O-CD 3.36Å; P489-A491 VanDerWaalsContact C-N 3.32Å; P489-A491 PolarHBondContact O-N 3.25Å
490	A	59.7	Low	49.6	Very low	80 Å²	80	131.2 Å²	131.2	66%	0.661	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-68.7	-29.2	177.2	0	0	0	0	0	113	N488 A492	N488-A490 PolarHBondContact O-N 3.17Å; N488-A490 WeakPolarHBondContact OD1-CB 3.45Å; N488-A490 PolarHBondContact OD1-N 3.39Å; N488-A490 VanDerWaalsContact OD1-N 3.16Å; A490-A492 VanDerWaalsContact C-N 3.32Å; A490-A492 PolarHBondContact O-N 3.08Å
491	A	58.7	Low	48.2	Very low	90 Å²	90	125.5 Å²	125.5	74%	0.744	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-80.9	-9.8	-177.5	0	0	0	0	0	114	N488 P489	N488-A491 PolarHBondContact O-N 2.58Å; P489-A491 VanDerWaalsContact C-N 3.32Å; P489-A491 PolarHBondContact O-N 3.25Å
492	A	55.3	Low	46.9	Very low	80 Å²	80	120.1 Å²	120.1	66%	0.661	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-91.6	-6.6	-173.3	0	0	0	0	0	114.6	A490 R494	A490-A492 VanDerWaalsContact C-N 3.32Å; A490-A492 PolarHBondContact O-N 3.08Å; A492-R494 PolarHBondContact O-N 3.41Å
493	K	44.3	Very low	46.5	Very low	191 Å²	191	122.1 Å²	122.1	83%	0.83	73%	0.726	S	S	*	*			trans	-89.4	103.5	177.3	-76.3	-171.9	173.5	-175.1	0	111.3
494	R	40.9	Very low	45.2	Very low	238 Å²	238	121.3 Å²	121.3	90%	0.898	73%	0.726	S	S	*	*			trans	-86.7	149	157.8	-72.2	-174.8	177.1	-173	-1.1	109.9	A492	A492-R494 PolarHBondContact O-N 3.41Å
495	P	42.9	Very low	44	Very low	132 Å²	132	124.9 Å²	124.9	86%	0.857	74%	0.739	S	S	*	*			trans	-72.6	159.3	171.7	32.4	-34.8	0	0	0	111.1
496	A	41	Very low	42.8	Very low	106 Å²	106	124.6 Å²	124.6	88%	0.876	75%	0.753	S	S	*	*			trans	-112	129.9	-177.4	0	0	0	0	0	112
497	A	34	Very low	41.5	Very low	89 Å²	89	119.5 Å²	119.5	74%	0.736	75%	0.753	S	S	*	*			trans	171.8	148.6	163.2	0	0	0	0	0	106.3
498	E	32.6	Very low	40.2	Very low	194 Å²	194	123.2 Å²	123.2	91%	0.907	77%	0.767	S	S	*	*			cis	-153.1	-170.6	-10.9	-118.6	167.4	-164.4	0	0	108
499	D	32.1	Very low	38.8	Very low	153 Å²	153	124.8 Å²	124.8	82%	0.818	78%	0.781	S	S	*	*			trans	-91.9	-171.1	-153.3	-145.2	-22.8	0	0	0	116.7
500	E	29.8	Very low	37.5	Very low	176 Å²	176	124.1 Å²	124.1	82%	0.822	78%	0.783	S	S	*	*			trans	99.1	122.3	161.4	-66	-70.9	161.7	0	0	120.5
501	G	28.2	Very low	36.2	Very low	75 Å²	75	130.3 Å²	130.3	77%	0.773	80%	0.795	S	S	*	*			trans	103.3	93	142.3	0	0	0	0	0	120.3
502	G	26.1	Very low	35.2	Very low	75 Å²	75	135.9 Å²	135.9	77%	0.773	80%	0.802	S	S	*	*			trans	-109.2	-167.2	154.4	0	0	0	0	0	111.7
503	P	51.5	Low	34.1	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	81%	0.809	S	S	*	*			cis	-136.4	-155.1	-9.7	41.3	-22.2	0	0	0	112.7
504	S	29.3	Very low	33.7	Very low	101 Å²	101	138 Å²	138	71%	0.706	81%	0.811	S	S	*	*			trans	85.8	143.5	166.1	-29.2	0	0	0	0	116.4
505	T	29.4	Very low	33.6	Very low	118 Å²	118	130.7 Å²	130.7	72%	0.724	81%	0.81	S	S	*	*			cis	175.6	142	-15.7	30.7	0	0	0	0	105.6
506	S	32	Very low	33.3	Very low	125 Å²	125	134.3 Å²	134.3	87%	0.874	81%	0.812	S	S	*	*			trans	53	140.2	158.3	58.4	0	0	0	0	120.3
507	G	28.5	Very low	33.3	Very low	63 Å²	63	136.1 Å²	136.1	65%	0.649	81%	0.812	S	S	*	*			cis	161.7	167.3	0.2	0	0	0	0	0	110.4
508	Q	31.2	Very low	33.3	Very low	191 Å²	191	137.7 Å²	137.7	89%	0.893	82%	0.818	S	S	*	*			trans	69.2	150.8	178.4	-54.1	-171.6	16.1	0	0	114.9
509	T	29.5	Very low	33.7	Very low	126 Å²	126	137.2 Å²	137.2	77%	0.773	81%	0.813	S	S	*	*			cis	-166.1	163.7	-12.7	25.6	0	0	0	0	106.7
510	A	31.3	Very low	34.7	Very low	83 Å²	83	132.5 Å²	132.5	69%	0.686	80%	0.801	S	S	*	*			cis	-167.1	168.3	-15.9	0	0	0	0	0	111.5
511	K	32	Very low	35.9	Very low	211 Å²	211	130.6 Å²	130.6	92%	0.917	80%	0.796	S	S	*	*			trans	74.3	136.5	160.2	-76.7	178.9	177.1	174.7	0	121.2
512	K	37.3	Very low	37.1	Very low	206 Å²	206	134.3 Å²	134.3	90%	0.896	79%	0.791	S	S	*	*			trans	-69.7	150.7	176.3	-58.5	167.3	173.5	175.5	0	112.8
513	S	32.9	Very low	38.4	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	79%	0.788	S	S	*	*				-175.5	150.3	107.8	63.2	0	0	0	0	115.2
514	K	35.5	Very low	38.2	Very low	204 Å²	204	135.7 Å²	135.7	89%	0.887	79%	0.792	S	S	*	*			trans	32.7	110.4	157.1	-68.5	-178	175.4	-179.9	0	119.5
515	G	37.8	Very low	38.7	Very low	84 Å²	84	144.9 Å²	144.9	87%	0.866	81%	0.811	S	S	*	*			trans	-69.1	142.8	163.7	0	0	0	0	0	113.1
516	K	38.2	Very low	39.2	Very low	207 Å²	207	146.2 Å²	146.2	90%	0.9	82%	0.816	S	S	*	*			trans	-104.5	132.6	160	-82.9	-178.4	171.5	-178.9	0	108.3	S518	K516-S518 PolarHBondContact O-N 2.99Å
517	T	39.7	Very low	39.6	Very low	144 Å²	144	147.3 Å²	147.3	88%	0.883	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.7	123.1	164.5	35.8	0	0	0	0	109
518	S	35	Very low	40.2	Very low	123 Å²	123	152 Å²	152	86%	0.86	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.7	131.9	174	-165.4	0	0	0	0	109.6	K516	K516-S518 PolarHBondContact O-N 2.99Å
519	F	41.4	Very low	40.7	Very low	184 Å²	184	149.7 Å²	149.7	81%	0.807	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-99.5	135.9	172	-162.6	-94.1	0	0	0	108.3	F522	F519-F522 HydrophobicContact CE1-CE2 4.32Å
520	G	52.8	Low	41.4	Very low	54 Å²	54	151.2 Å²	151.2	56%	0.557	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68.6	152.1	-168.5	0	0	0	0	0	114.8
521	D	55.2	Low	42.1	Very low	136 Å²	136	155.7 Å²	155.7	73%	0.727	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-66.5	145.9	172.9	-164.3	-24.8	0	0	0	111.2	S523	D521-S523 VanDerWaalsContact CG-OG 3.27Å; D521-S523 VanDerWaalsContact OD1-CB 3.27Å; D521-S523 WeakPolarHBondContact OD1-CB 3.11Å; D521-S523 PolarHBondContact OD1-N 3.11Å; D521-S523 PolarHBondContact OD1-OG 3.37Å; D521-S523 PolarHBondContact OD2-OG 2.96Å
522	F	51.8	Low	42.8	Very low	152 Å²	152	151.8 Å²	151.8	67%	0.667	82%	0.823	S	S	*	*			trans	-128.2	25.9	-177.8	-94.5	-82.9	0	0	0	112.4	F519 S524	F519-F522 HydrophobicContact CE1-CE2 4.32Å; F522-S524 PolarHBondContact O-N 3.03Å
523	S	54.6	Low	43.3	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	25.9	-178.1	47.6	0	0	0	0	116.2	D521	D521-S523 VanDerWaalsContact CG-OG 3.27Å; D521-S523 VanDerWaalsContact OD1-CB 3.27Å; D521-S523 WeakPolarHBondContact OD1-CB 3.11Å; D521-S523 PolarHBondContact OD1-N 3.11Å; D521-S523 PolarHBondContact OD1-OG 3.37Å; D521-S523 PolarHBondContact OD2-OG 2.96Å
524	S	47.8	Very low	44.1	Very low	123 Å²	123	150.5 Å²	150.5	86%	0.86	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.4	40.4	177.2	58.4	0	0	0	0	115.4	F522	F522-S524 PolarHBondContact O-N 3.03Å
525	W	39.7	Very low	44.9	Very low	294 Å²	294	145.6 Å²	145.6	100%	1.114	81%	0.813	S	S	*	*			trans	-124.7	0	159.6	-159.3	-17.3	0	0	0	109.8

Retrieved 525 of 525 residues in 196.6 ms (Link to these results)

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