A0A087YKQ9_POEFO Loading...

G2/M-phase specific E3 ubiquitin protein ligase

AlphaFold DB , UniProt , Accession A0A087YKQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 740 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	34	Very low	31.3	Very low	251 Å²	251	157.9 Å²	157.9	100%	1.236	80%	0.803	S	S	*	*				0	55.1	0	-73.2	168.4	70.6	0	0	110.4
2	Q	32.5	Very low	31.5	Very low	186 Å²	186	154.9 Å²	154.9	87%	0.869	79%	0.79	S	S	*	*			trans	-111.4	112.4	170.2	-86.8	172.5	-22.6	0	0	106.2
3	T	30.7	Very low	31.7	Very low	135 Å²	135	151.2 Å²	151.2	83%	0.828	77%	0.773	S	S	*	*			trans	158.9	89.7	155.2	46.9	0	0	0	0	108.2
4	K	28.8	Very low	31.8	Very low	196 Å²	196	145.4 Å²	145.4	85%	0.852	75%	0.748	S	S	*	*	S	Bend	trans	-159.2	-0.3	157.3	-111.4	172.2	-172	-173.3	0	116.4
5	D	31.9	Very low	32	Very low	162 Å²	162	143.1 Å²	143.1	87%	0.866	74%	0.736	S	S	*	*	S	Bend	trans	-97.3	11.4	-178.1	-67.9	-44.9	0	0	0	116.7
6	I	31.6	Very low	32.2	Very low	144 Å²	144	142.6 Å²	142.6	74%	0.738	73%	0.732	S	S	*	*	S	Bend	trans	-96.2	-2.9	-177.4	-60.1	177.1	0	0	0	112.9
7	H	28.7	Very low	32.3	Very low	162 Å²	162	145.6 Å²	145.6	75%	0.75	73%	0.732	S	S	*	*	S	Bend	trans	-101.6	-7.1	-168.6	-130.3	17	0	0	0	117.8
8	L	31.9	Very low	32.2	Very low	152 Å²	152	146.1 Å²	146.1	80%	0.796	73%	0.728	S	S	*	*	S	Bend	trans	-94.7	-28	174.3	-88.5	100.2	0	0	0	114.5	V10	L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 3.39Å
9	G	31.9	Very low	32.2	Very low	59 Å²	59	146.9 Å²	146.9	61%	0.608	73%	0.727	S	S	*	*	H	α-helix	trans	-69.7	-24.5	179.7	0	0	0	0	0	115
10	V	32	Very low	32.3	Very low	87 Å²	87	143.4 Å²	143.4	53%	0.527	72%	0.717	S	S	.	*	H	α-helix	trans	-83.7	-19.4	-176	-176.7	0	0	0	0	112.6	L8 T14	L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 3.39Å; V10-T14 PolarHBondContact O-OG1 3.46Å
11	R	30.2	Very low	32.2	Very low	203 Å²	203	146.6 Å²	146.6	77%	0.766	72%	0.721	S	S	*	*	H	α-helix	trans	-80.7	-32.6	-174.7	-118.5	175.8	177.3	176.7	-1.2	113.5	I15	R11-I15 WeakPolarHBondContact O-CD1 3.23Å; R11-I15 WeakPolarHBondContact O-CG1 3.38Å; R11-I15 PolarHBondContact O-N 3.45Å
12	L	34.3	Very low	32	Very low	122 Å²	122	145.5 Å²	145.5	64%	0.639	70%	0.703	S	S	*	*	H	α-helix	trans	-77.8	-39.5	178.9	-82.8	153.2	0	0	0	112.9	T14 I15 M16	L12-T14 VanDerWaalsContact C-N 3.29Å; L12-T14 PolarHBondContact O-N 3.45Å; L12-I15 PolarHBondContact O-N 2.73Å; L12-M16 PolarHBondContact O-N 3.13Å; L12-M16 VanDerWaalsContact O-N 3.13Å
13	D	33.1	Very low	32.2	Very low	107 Å²	107	143.6 Å²	143.6	57%	0.572	70%	0.698	S	S	*	*	H	α-helix	trans	-66.1	-31	176.1	-97.8	-7.3	0	0	0	113.2	R17	D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 PolarHBondContact O-N 3.3Å
14	T	32.9	Very low	32.4	Very low	69 Å²	69	145.8 Å²	145.8	42%	0.423	70%	0.696	S	S	.	*	H	α-helix	trans	-74.8	-29.8	178.5	-52.6	0	0	0	0	112	V10 L12 K18	V10-T14 PolarHBondContact O-OG1 3.46Å; L12-T14 VanDerWaalsContact C-N 3.29Å; L12-T14 PolarHBondContact O-N 3.45Å; T14-K18 WeakPolarHBondContact O-CB 3.46Å; T14-K18 PolarHBondContact O-N 3.05Å; T14-K18 VanDerWaalsContact O-N 3.11Å
15	I	35.4	Very low	32.6	Very low	111 Å²	111	145.4 Å²	145.4	57%	0.569	70%	0.698	S	S	*	*	H	α-helix	trans	-74.9	-40.8	175.3	-66.6	167.8	0	0	0	110.4	R11 L12 K18 K19	R11-I15 WeakPolarHBondContact O-CD1 3.23Å; R11-I15 WeakPolarHBondContact O-CG1 3.38Å; R11-I15 PolarHBondContact O-N 3.45Å; L12-I15 PolarHBondContact O-N 2.73Å; I15-K18 PolarHBondContact O-N 3.07Å; I15-K19 PolarHBondContact O-N 3.31Å; I15-K19 VanDerWaalsContact O-N 3.1Å
16	M	34.8	Very low	32.5	Very low	135 Å²	135	142 Å²	142	67%	0.665	69%	0.692	S	S	*	*	H	α-helix	trans	-66.6	-40.8	175.5	-71	-71.7	-179.4	0	0	112.6	L12 K19 S20	L12-M16 PolarHBondContact O-N 3.13Å; L12-M16 VanDerWaalsContact O-N 3.13Å; M16-K19 PolarHBondContact O-N 3.49Å; M16-S20 PolarHBondContact O-N 2.84Å; M16-S20 VanDerWaalsContact O-N 3.12Å
17	R	33.8	Very low	32.5	Very low	194 Å²	194	142.7 Å²	142.7	73%	0.732	70%	0.697	S	S	*	*	H	α-helix	trans	-70.1	-32.8	175	-82.1	178.6	168	174	-1.6	113.5	D13 R21	D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 PolarHBondContact O-N 3.3Å; R17-R21 WeakPolarHBondContact O-CB 3.32Å; R17-R21 PolarHBondContact O-N 2.78Å
18	K	31	Very low	33.1	Very low	155 Å²	155	143.9 Å²	143.9	67%	0.674	70%	0.7	S	S	*	*	H	α-helix	trans	-70.6	-35.3	174.8	-91.5	-179.1	173.4	177	0	112.8	T14 I15 R22	T14-K18 WeakPolarHBondContact O-CB 3.46Å; T14-K18 PolarHBondContact O-N 3.05Å; T14-K18 VanDerWaalsContact O-N 3.11Å; I15-K18 PolarHBondContact O-N 3.07Å; K18-R22 PolarHBondContact O-N 2.9Å; K18-R22 VanDerWaalsContact O-N 3.16Å
19	K	32.4	Very low	33.4	Very low	162 Å²	162	142.6 Å²	142.6	70%	0.704	70%	0.704	S	S	*	*	H	α-helix	trans	-69.9	-36.3	174	-136.1	176.4	-176.6	-176.7	0	111.6	I15 M16	I15-K19 PolarHBondContact O-N 3.31Å; I15-K19 VanDerWaalsContact O-N 3.1Å; M16-K19 PolarHBondContact O-N 3.49Å
20	S	34.9	Very low	33.7	Very low	76 Å²	76	143.6 Å²	143.6	53%	0.531	71%	0.714	S	S	.	*	H	α-helix	trans	-73	-31.1	175.9	-163.5	0	0	0	0	113.9	M16	M16-S20 PolarHBondContact O-N 2.84Å; M16-S20 VanDerWaalsContact O-N 3.12Å
21	R	30.4	Very low	34.1	Very low	211 Å²	211	149.2 Å²	149.2	80%	0.796	73%	0.732	S	S	*	*	H	α-helix	trans	-76.5	-31.8	174.3	-87.5	-177.6	167.5	175.1	-4.3	113.9	R17 L23 K24	R17-R21 WeakPolarHBondContact O-CB 3.32Å; R17-R21 PolarHBondContact O-N 2.78Å; R21-L23 PolarHBondContact O-N 2.79Å; R21-K24 PolarHBondContact O-N 3.12Å
22	R	28.9	Very low	35.1	Very low	227 Å²	227	147.1 Å²	147.1	86%	0.857	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-11.5	174	-90	-174.7	173.7	-178.8	-2.3	114.5	K18	K18-R22 PolarHBondContact O-N 2.9Å; K18-R22 VanDerWaalsContact O-N 3.16Å
23	L	35.5	Very low	36.1	Very low	146 Å²	146	148.1 Å²	148.1	76%	0.764	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	0.3	177.8	-81.5	160.1	0	0	0	114.2	R21	R21-L23 PolarHBondContact O-N 2.79Å
24	K	35	Very low	38.2	Very low	182 Å²	182	147.3 Å²	147.3	79%	0.791	73%	0.727	S	S	*	*	S	Bend	trans	-108	0.6	-175.5	-84.2	-171.6	175.2	-177.5	0	116.4	R21	R21-K24 PolarHBondContact O-N 3.12Å
25	E	33.9	Very low	40.9	Very low	188 Å²	188	145.9 Å²	145.9	88%	0.879	72%	0.72	S	S	*	*	S	Bend	trans	-131.4	24.3	-177.2	-76	-179.3	164.1	0	0	114.9
26	A	29.2	Very low	43.6	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	69%	0.693	S	S	*	*	S	Bend	trans	-123.8	82.3	170.7	0	0	0	0	0	111.3
27	D	31.4	Very low	46.2	Very low	158 Å²	158	134.6 Å²	134.6	85%	0.845	67%	0.665	S	S	*	*			trans	70.5	127.2	137.6	-135	0.4	0	0	0	121.9
28	K	41.4	Very low	48.9	Very low	186 Å²	186	125.5 Å²	125.5	81%	0.809	63%	0.631	S	S	*	*	S	Bend	trans	-80.4	147.5	170.9	-74.3	169.4	170.8	173.2	0	107.2
29	S	39.4	Very low	51.7	Low	125 Å²	125	118.6 Å²	118.6	87%	0.874	60%	0.602	S	S	*	*	S	Bend	trans	82.4	104.4	-179.5	79	0	0	0	0	115.3
30	G	38.1	Very low	54.4	Low	80 Å²	80	117 Å²	117	83%	0.825	59%	0.592	S	S	*	*	S	Bend	trans	132.6	-8.3	159.5	0	0	0	0	0	120.5
31	K	40.9	Very low	56.9	Low	206 Å²	206	114.7 Å²	114.7	90%	0.896	58%	0.575	S	S	*	*			trans	-124.8	54.1	-170.4	-74.3	-174.9	175.7	178.8	0	115.9
32	Q	49.8	Very low	59.7	Low	159 Å²	159	107.8 Å²	107.8	74%	0.743	56%	0.559	S	S	*	*			trans	-103.9	-10.2	175.9	-154	143.9	1.7	0	0	114.4
33	E	55.4	Low	62.4	Low	143 Å²	143	101.4 Å²	101.4	67%	0.668	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-19.2	-174.5	-87.5	175.9	160.5	0	0	115.4
34	D	76.8	Confident	64.9	Low	89 Å²	89	99.5 Å²	99.5	48%	0.476	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.1	-172.5	-153.6	30.3	0	0	0	114.6	K52 K54	D34-K52 WeakPolarHBondContact O-CE 3.47Å; D34-K52 PolarHBondContact O-NZ 3.08Å; D34-K54 IonicContact OD1-NZ 3.57Å; D34-K54 PolarHBondContact OD1-NZ 3.13Å
35	C	89.4	Confident	67.4	Low	39 Å²	39	93.6 Å²	93.6	26%	0.264	51%	0.51	S	S	.	.	S	Bend	trans	-96.2	146.1	176.8	-69.1	0	0	0	0	111.5	A37 S61	C35-A37 PolarHBondContact O-N 3.34Å; C35-S61 PolarHBondContact O-OG 3.32Å
36	C	92.1	Very high	69.8	Low	0 Å²	0	87.4 Å²	87.4	0%	0	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-58.1	130.6	171.9	167.1	0	0	0	0	110.8	L38 C39 R40 C41 S61 H63	C36-L38 VanDerWaalsContact C-N 3.25Å; C36-L38 PolarHBondContact O-N 3.2Å; C36-C39 VanDerWaalsContact CB-SG 3.57Å; C36-R40 WeakPolarHBondContact O-CA 3.34Å; C36-R40 PolarHBondContact O-N 3.25Å; C36-C41 PolarHBondContact N-O 3.36Å; C36-S61 CarbonylContact C-O 3.57Å; C36-S61 WeakPolarHBondContact CA-O 3.24Å; C36-H63 WeakPolarHBondContact CB-ND1 3.45Å; C36-H63 PolarHBondContact SG-N 3.43Å; C36-H63 VanDerWaalsContact SG-N 3.37Å
37	A	91.3	Very high	72.5	Confident	10 Å²	10	83.2 Å²	83.2	8%	0.083	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.5	-174.4	0	0	0	0	0	113.4	C35 R40 F60 S61 V62 I95	C35-A37 PolarHBondContact O-N 3.34Å; A37-R40 VanDerWaalsContact O-CZ 3.28Å; A37-R40 PolarHBondContact O-NE 3.37Å; A37-R40 PolarHBondContact O-NH2 3.4Å; A37-F60 HydrophobicContact CB-CB 4.31Å; A37-F60 HydrophobicContact CB-CD2 4.06Å; A37-F60 HydrophobicContact CB-CG 4.48Å; A37-S61 PolarHBondContact N-O 2.75Å; A37-V62 HydrophobicContact CB-CG1 4.11Å; A37-I95 HydrophobicContact CB-CD1 3.59Å; A37-I95 HydrophobicContact CB-CG1 4.06Å
38	L	89.9	Confident	75.1	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-56.5	179.7	-67.8	171.4	0	0	0	111.9	C36 V62 C66 L67 E94 I95 A98 G110 C112	C36-L38 VanDerWaalsContact C-N 3.25Å; C36-L38 PolarHBondContact O-N 3.2Å; L38-V62 HydrophobicContact CD1-CG1 4.41Å; L38-V62 HydrophobicContact CG-CG1 4.4Å; L38-C66 HydrophobicContact CB-CB 4.07Å; L38-C66 HydrophobicContact CD1-CB 3.93Å; L38-L67 HydrophobicContact CD1-CD2 3.84Å; L38-L67 HydrophobicContact CD1-CG 4.24Å; L38-E94 HydrophobicContact CD2-CG 4.12Å; L38-I95 HydrophobicContact CD2-CG1 3.78Å; L38-I95 HydrophobicContact CG-CG1 4.29Å; L38-A98 HydrophobicContact CD2-CB 4.34Å; L38-G110 VanDerWaalsContact O-O 3.07Å; L38-C112 HydrophobicContact CD2-CB 4.44Å
39	C	89.9	Confident	77.3	Confident	11 Å²	11	69 Å²	69	7%	0.074	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-10.5	-173.6	72	0	0	0	0	115.1	C36 C41 H63 C66 H125 P127	C36-C39 VanDerWaalsContact CB-SG 3.57Å; C39-C41 PolarHBondContact O-N 2.87Å; C39-C41 VanDerWaalsContact O-N 3.13Å; C39-C41 WeakPolarHBondContact SG-CB 3.49Å; C39-H63 PolarHBondContact SG-ND1 3.1Å; C39-H63 VanDerWaalsContact SG-ND1 3.4Å; C39-C66 VanDerWaalsContact SG-SG 3.66Å; C39-H125 HydrophobicContact CB-CB 4.36Å; C39-P127 VanDerWaalsContact CB-CD 3.41Å; C39-P127 HydrophobicContact CB-CG 3.7Å
40	R	88.9	Confident	79.6	Confident	129 Å²	129	63.2 Å²	63.2	49%	0.487	34%	0.343	S	S	.	.			trans	58.2	19.2	-176.6	-51.1	-61	-178.9	172.5	-2.2	114.3	C36 A37	C36-R40 WeakPolarHBondContact O-CA 3.34Å; C36-R40 PolarHBondContact O-N 3.25Å; A37-R40 VanDerWaalsContact O-CZ 3.28Å; A37-R40 PolarHBondContact O-NE 3.37Å; A37-R40 PolarHBondContact O-NH2 3.4Å
41	C	87.2	Confident	82.1	Confident	27 Å²	27	65 Å²	65	18%	0.182	33%	0.33	C	S	.	.			trans	-91	144.2	174.9	-161.4	0	0	0	0	110.2	C36 C39 P127	C36-C41 PolarHBondContact N-O 3.36Å; C39-C41 PolarHBondContact O-N 2.87Å; C39-C41 VanDerWaalsContact O-N 3.13Å; C39-C41 WeakPolarHBondContact SG-CB 3.49Å; C41-P127 HydrophobicContact CB-CG 4.19Å
42	S	88.4	Confident	84.5	Confident	66 Å²	66	56.7 Å²	56.7	46%	0.462	29%	0.294	S	S	.	.			trans	-90.4	-27.7	174.1	53	0	0	0	0	113	K52	S42-K52 PolarHBondContact O-NZ 3.22Å
43	D	86.9	Confident	86.4	Confident	93 Å²	93	50.3 Å²	50.3	50%	0.497	27%	0.266	S	S	.	.			trans	-53.8	135.1	-179.8	-62.3	-25.1	0	0	0	111.4	F49 H63	D43-F49 HydrophobicContact CB-CD2 4.18Å; D43-F49 HydrophobicContact CB-CE2 3.54Å; D43-F49 HydrophobicContact CB-CZ 4.1Å; D43-H63 PolarHBondContact O-CE1 3.13Å; D43-H63 PolarHBondContact O-NE2 3.05Å
44	D	87.1	Confident	88.1	Confident	106 Å²	106	49.3 Å²	49.3	57%	0.567	26%	0.259	S	S	*	.			trans	-130	18.9	-167	60.1	-13.7	0	0	0	113.6	P46 K52	D44-P46 WeakPolarHBondContact O-CD 3.22Å; D44-P46 VanDerWaalsContact O-N 3.13Å; D44-K52 HydrophobicContact CB-CB 4.34Å; D44-K52 HydrophobicContact CB-CD 3.76Å
45	D	87	Confident	88.6	Confident	58 Å²	58	46.4 Å²	46.4	31%	0.31	24%	0.243	S	C	.	.			trans	-59.8	111.6	173.6	-175.7	-24.7	0	0	0	110.7	A47 L48 F49 H200	D45-A47 VanDerWaalsContact C-N 3.27Å; D45-A47 PolarHBondContact O-N 3.49Å; D45-A47 WeakPolarHBondContact OD1-CB 3.38Å; D45-A47 PolarHBondContact OD1-N 3.32Å; D45-L48 HydrophobicContact CB-CB 4.17Å; D45-L48 HydrophobicContact CB-CD1 4.21Å; D45-L48 HydrophobicContact CB-CG 4.17Å; D45-L48 PolarHBondContact O-N 2.86Å; D45-L48 VanDerWaalsContact O-N 3.11Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.42Å; D45-L48 WeakPolarHBondContact OD2-CG 3.44Å; D45-F49 HydrophobicContact CB-CD2 4.27Å; D45-F49 PolarHBondContact O-N 3.4Å; D45-H200 IonicContact OD2-NE2 2.65Å
46	P	85.6	Confident	88.4	Confident	58 Å²	58	52.8 Å²	52.8	38%	0.377	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-29.4	-175.5	-22.3	34.9	0	0	0	113.3	D44 L48 G50	D44-P46 WeakPolarHBondContact O-CD 3.22Å; D44-P46 VanDerWaalsContact O-N 3.13Å; P46-L48 VanDerWaalsContact C-N 3.28Å; P46-L48 PolarHBondContact O-N 3.46Å; P46-G50 WeakPolarHBondContact O-CA 3.43Å; P46-G50 PolarHBondContact O-N 2.65Å
47	A	84.5	Confident	88.1	Confident	3 Å²	3	61.2 Å²	61.2	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-70.8	-28.5	178.3	0	0	0	0	0	111.6	D45 Q199 H203	D45-A47 VanDerWaalsContact C-N 3.27Å; D45-A47 PolarHBondContact O-N 3.49Å; D45-A47 WeakPolarHBondContact OD1-CB 3.38Å; D45-A47 PolarHBondContact OD1-N 3.32Å; A47-Q199 WeakPolarHBondContact O-CG 3.49Å; A47-H203 HydrophobicContact CB-CB 4.18Å
48	L	86.2	Confident	87.8	Confident	31 Å²	31	64.4 Å²	64.4	16%	0.162	32%	0.322	C	S	.	.	H	α-helix	trans	-98.3	-32	-175.8	-58.7	-174.7	0	0	0	113.8	D45 P46 F126	D45-L48 HydrophobicContact CB-CB 4.17Å; D45-L48 HydrophobicContact CB-CD1 4.21Å; D45-L48 HydrophobicContact CB-CG 4.17Å; D45-L48 PolarHBondContact O-N 2.86Å; D45-L48 VanDerWaalsContact O-N 3.11Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.42Å; D45-L48 WeakPolarHBondContact OD2-CG 3.44Å; P46-L48 VanDerWaalsContact C-N 3.28Å; P46-L48 PolarHBondContact O-N 3.46Å; L48-F126 WeakPolarHBondContact O-CE1 3.44Å
49	F	88.3	Confident	87.7	Confident	15 Å²	15	71.8 Å²	71.8	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-121.6	-5.5	-173.7	-57.1	-70.1	0	0	0	113.7	D43 D45 H63 F65 F126 P127	D43-F49 HydrophobicContact CB-CD2 4.18Å; D43-F49 HydrophobicContact CB-CE2 3.54Å; D43-F49 HydrophobicContact CB-CZ 4.1Å; D45-F49 HydrophobicContact CB-CD2 4.27Å; D45-F49 PolarHBondContact O-N 3.4Å; F49-H63 HydrophobicContact CB-CB 4.3Å; F49-H63 WeakPolarHBondContact O-CB 3.2Å; F49-F65 VanDerWaalsContact O-CB 3.26Å; F49-F65 WeakPolarHBondContact O-CB 3.48Å; F49-F65 WeakPolarHBondContact O-CG 3.41Å; F49-F65 PolarHBondContact O-N 2.89Å; F49-F65 VanDerWaalsContact O-N 3.07Å; F49-F126 HydrophobicContact CD1-CD1 4.16Å; F49-F126 HydrophobicContact CD1-CE1 4.1Å; F49-P127 HydrophobicContact CD1-CG 4.23Å; F49-P127 HydrophobicContact CE1-CB 3.93Å; F49-P127 HydrophobicContact CE1-CG 3.82Å
50	G	88.9	Confident	87.7	Confident	3 Å²	3	72.9 Å²	72.9	3%	0.031	36%	0.357	C	S	.	.			trans	73.3	171.2	-167.8	0	0	0	0	0	110.8	P46 K52 F65	P46-G50 WeakPolarHBondContact O-CA 3.43Å; P46-G50 PolarHBondContact O-N 2.65Å; G50-K52 PolarHBondContact O-N 2.76Å; G50-F65 VanDerWaalsContact N-CE2 3.28Å
51	E	88.6	Confident	87.9	Confident	116 Å²	116	66.9 Å²	66.9	54%	0.542	34%	0.335	S	S	.	.			trans	-58.1	132.8	-179.3	-167.8	172.2	169.8	0	0	111.4	V53 Y64 F84	E51-V53 HydrophobicContact CG-CG2 4.41Å; E51-V53 PolarHBondContact O-N 2.97Å; E51-Y64 WeakPolarHBondContact O-CB 3.35Å; E51-Y64 PolarHBondContact O-N 3.1Å; E51-F84 WeakPolarHBondContact OE2-CZ 3.4Å
52	K	91.7	Very high	88.2	Confident	32 Å²	32	65.6 Å²	65.6	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	104.5	176.4	-171.6	177.7	-176.2	-176.2	0	109.1	D34 S42 D44 G50 H63	D34-K52 WeakPolarHBondContact O-CE 3.47Å; D34-K52 PolarHBondContact O-NZ 3.08Å; S42-K52 PolarHBondContact O-NZ 3.22Å; D44-K52 HydrophobicContact CB-CB 4.34Å; D44-K52 HydrophobicContact CB-CD 3.76Å; G50-K52 PolarHBondContact O-N 2.76Å; K52-H63 WeakPolarHBondContact CD-NE2 3.37Å
53	V	90.7	Very high	88.4	Confident	26 Å²	26	62.4 Å²	62.4	16%	0.158	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.1	-178.6	-175.4	0	0	0	0	109.7	E51 S61 V62 V83 F84	E51-V53 HydrophobicContact CG-CG2 4.41Å; E51-V53 PolarHBondContact O-N 2.97Å; V53-S61 CarbonylContact O-C 3.3Å; V53-S61 VanDerWaalsContact O-CA 3.24Å; V53-S61 WeakPolarHBondContact O-CA 3.5Å; V53-S61 WeakPolarHBondContact O-CB 3.39Å; V53-V62 PolarHBondContact N-O 3.33Å; V53-V62 PolarHBondContact O-N 2.77Å; V53-V83 HydrophobicContact CB-CG1 3.96Å; V53-V83 HydrophobicContact CB-CG2 4.37Å; V53-V83 HydrophobicContact CG1-CG1 4.2Å; V53-V83 HydrophobicContact CG1-CG2 3.97Å; V53-V83 HydrophobicContact CG2-CG1 3.81Å; V53-F84 HydrophobicContact CG2-CE2 3.82Å
54	K	91.2	Very high	88.6	Confident	122 Å²	122	59.7 Å²	59.7	53%	0.53	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.2	174.4	-60.7	-166.9	-177.1	-166.2	0	109	D34	D34-K54 IonicContact OD1-NZ 3.57Å; D34-K54 PolarHBondContact OD1-NZ 3.13Å
55	L	87.1	Confident	88.8	Confident	28 Å²	28	54.8 Å²	54.8	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	86.9	175.9	-68.6	166.8	0	0	0	108.3	E57 H58 K59 F60 V83 V88 I91	L55-E57 PolarHBondContact O-N 3.39Å; L55-H58 HydrophobicContact CB-CB 4.36Å; L55-H58 CarbonylContact O-C 3.58Å; L55-H58 PolarHBondContact O-N 3.11Å; L55-H58 VanDerWaalsContact O-N 3.1Å; L55-K59 PolarHBondContact O-N 2.83Å; L55-F60 HydrophobicContact CD1-CD2 4.41Å; L55-F60 HydrophobicContact CD1-CE1 4.15Å; L55-F60 HydrophobicContact CD1-CE2 3.55Å; L55-F60 HydrophobicContact CD1-CZ 3.39Å; L55-F60 PolarHBondContact N-O 3.4Å; L55-V83 HydrophobicContact CD1-CG2 3.82Å; L55-V83 HydrophobicContact CD2-CG2 3.96Å; L55-V83 HydrophobicContact CG-CG2 4.12Å; L55-V88 HydrophobicContact CD1-CG1 4.32Å; L55-V88 HydrophobicContact CD1-CG2 4.35Å; L55-V88 HydrophobicContact CD2-CG2 4.45Å; L55-I91 HydrophobicContact CD1-CD1 4.46Å
56	E	85.3	Confident	89	Confident	172 Å²	172	52 Å²	52	80%	0.804	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.6	-44.4	-172.4	-62.3	-165.6	160	0	0	112.4	H58 K59	E56-H58 PolarHBondContact O-N 3.27Å; E56-H58 VanDerWaalsContact O-N 3.13Å; E56-K59 PolarHBondContact O-N 2.8Å; E56-K59 VanDerWaalsContact O-N 3.16Å
57	E	86	Confident	89.2	Confident	178 Å²	178	49.3 Å²	49.3	83%	0.832	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-59.9	-26.1	178.8	-61.5	-173.9	172.3	0	0	113.3	L55	L55-E57 PolarHBondContact O-N 3.39Å
58	H	84.8	Confident	89.4	Confident	77 Å²	77	49.5 Å²	49.5	36%	0.356	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-109.3	0.6	-178.2	-61.4	-57.4	0	0	0	113.9	L55 E56 F60 V88 K92	L55-H58 HydrophobicContact CB-CB 4.36Å; L55-H58 CarbonylContact O-C 3.58Å; L55-H58 PolarHBondContact O-N 3.11Å; L55-H58 VanDerWaalsContact O-N 3.1Å; E56-H58 PolarHBondContact O-N 3.27Å; E56-H58 VanDerWaalsContact O-N 3.13Å; H58-F60 HydrophobicContact CB-CD1 3.79Å; H58-F60 HydrophobicContact CB-CE1 3.57Å; H58-F60 WeakPolarHBondContact O-CD1 3.4Å; H58-F60 PolarHBondContact O-N 3.11Å; H58-V88 HydrophobicContact CB-CG1 4.42Å; H58-V88 WeakPolarHBondContact CD2-CG1 3.37Å; H58-V88 WeakPolarHBondContact NE2-CG1 3.37Å; H58-K92 PolarHBondContact ND1-NZ 2.85Å
59	K	87.4	Confident	89.5	Confident	157 Å²	157	48.3 Å²	48.3	68%	0.683	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	40.9	175.8	-54.4	-174.2	179.2	-173	0	114.7	L55 E56	L55-K59 PolarHBondContact O-N 2.83Å; E56-K59 PolarHBondContact O-N 2.8Å; E56-K59 VanDerWaalsContact O-N 3.16Å
60	F	89.8	Confident	89.5	Confident	34 Å²	34	48 Å²	48	15%	0.149	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.2	169.8	72.5	-94.4	0	0	0	112.1	A37 L55 H58 V62 V88 I91 K92 I95	A37-F60 HydrophobicContact CB-CB 4.31Å; A37-F60 HydrophobicContact CB-CD2 4.06Å; A37-F60 HydrophobicContact CB-CG 4.48Å; L55-F60 HydrophobicContact CD1-CD2 4.41Å; L55-F60 HydrophobicContact CD1-CE1 4.15Å; L55-F60 HydrophobicContact CD1-CE2 3.55Å; L55-F60 HydrophobicContact CD1-CZ 3.39Å; L55-F60 PolarHBondContact N-O 3.4Å; H58-F60 HydrophobicContact CB-CD1 3.79Å; H58-F60 HydrophobicContact CB-CE1 3.57Å; H58-F60 WeakPolarHBondContact O-CD1 3.4Å; H58-F60 PolarHBondContact O-N 3.11Å; F60-V62 HydrophobicContact CD2-CG1 3.95Å; F60-V62 HydrophobicContact CE2-CG1 3.84Å; F60-V62 HydrophobicContact CE2-CG2 4.31Å; F60-V88 HydrophobicContact CE1-CG1 4.25Å; F60-V88 HydrophobicContact CZ-CG1 4.16Å; F60-I91 HydrophobicContact CE2-CG2 3.67Å; F60-I91 HydrophobicContact CZ-CB 4.44Å; F60-I91 HydrophobicContact CZ-CG2 3.85Å; F60-K92 HydrophobicContact CE1-CG 4.26Å; F60-I95 HydrophobicContact CD2-CD1 4.24Å; F60-I95 HydrophobicContact CE2-CD1 4.08Å; F60-I95 HydrophobicContact CZ-CD1 4.4Å
61	S	93.3	Very high	89.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	154.9	172.5	64	0	0	0	0	111	C35 C36 A37 V53	C35-S61 PolarHBondContact O-OG 3.32Å; C36-S61 CarbonylContact C-O 3.57Å; C36-S61 WeakPolarHBondContact CA-O 3.24Å; A37-S61 PolarHBondContact N-O 2.75Å; V53-S61 CarbonylContact O-C 3.3Å; V53-S61 VanDerWaalsContact O-CA 3.24Å; V53-S61 WeakPolarHBondContact O-CA 3.5Å; V53-S61 WeakPolarHBondContact O-CB 3.39Å
62	V	92.6	Very high	88.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.2	177.8	-78.1	0	0	0	0	110.1	A37 L38 V53 F60 L67 V83 I91	A37-V62 HydrophobicContact CB-CG1 4.11Å; L38-V62 HydrophobicContact CD1-CG1 4.41Å; L38-V62 HydrophobicContact CG-CG1 4.4Å; V53-V62 PolarHBondContact N-O 3.33Å; V53-V62 PolarHBondContact O-N 2.77Å; F60-V62 HydrophobicContact CD2-CG1 3.95Å; F60-V62 HydrophobicContact CE2-CG1 3.84Å; F60-V62 HydrophobicContact CE2-CG2 4.31Å; V62-L67 HydrophobicContact CB-CD1 4.21Å; V62-L67 HydrophobicContact CB-CG 4.27Å; V62-L67 HydrophobicContact CG2-CD1 3.73Å; V62-L67 HydrophobicContact CG2-CG 4.3Å; V62-V83 HydrophobicContact CG2-CG2 4.42Å; V62-I91 HydrophobicContact CG1-CG2 4.09Å
63	H	93.5	Very high	88.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.8	170.2	-65.8	139	0	0	0	109.6	C36 C39 D43 F49 K52 F65 C66 L67	C36-H63 WeakPolarHBondContact CB-ND1 3.45Å; C36-H63 PolarHBondContact SG-N 3.43Å; C36-H63 VanDerWaalsContact SG-N 3.37Å; C39-H63 PolarHBondContact SG-ND1 3.1Å; C39-H63 VanDerWaalsContact SG-ND1 3.4Å; D43-H63 PolarHBondContact O-CE1 3.13Å; D43-H63 PolarHBondContact O-NE2 3.05Å; F49-H63 HydrophobicContact CB-CB 4.3Å; F49-H63 WeakPolarHBondContact O-CB 3.2Å; K52-H63 WeakPolarHBondContact CD-NE2 3.37Å; H63-F65 VanDerWaalsContact C-N 3.33Å; H63-F65 PolarHBondContact O-N 2.89Å; H63-C66 HydrophobicContact CB-CB 4.05Å; H63-C66 WeakPolarHBondContact O-CB 3.32Å; H63-C66 PolarHBondContact O-N 2.67Å; H63-L67 PolarHBondContact O-N 2.77Å
64	Y	90.6	Very high	87.6	Confident	36 Å²	36	51.3 Å²	51.3	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-56.7	-45	-179.6	-176.7	-126.5	0	0	0	112.2	E51 C66 L67 L68 F84 F86	E51-Y64 WeakPolarHBondContact O-CB 3.35Å; E51-Y64 PolarHBondContact O-N 3.1Å; Y64-C66 VanDerWaalsContact C-N 3.27Å; Y64-C66 PolarHBondContact O-N 3.3Å; Y64-L67 WeakPolarHBondContact O-CB 3.28Å; Y64-L67 PolarHBondContact O-N 3.27Å; Y64-L68 HydrophobicContact CE1-CD2 4.12Å; Y64-L68 HydrophobicContact CE2-CD1 4.35Å; Y64-L68 WeakPolarHBondContact O-CB 3.39Å; Y64-L68 PolarHBondContact O-N 2.9Å; Y64-F84 AromaticContact CD2-CD2 3.56Å; Y64-F84 HydrophobicContact CD2-CD2 3.56Å; Y64-F84 HydrophobicContact CD2-CE2 4.19Å; Y64-F84 HydrophobicContact CD2-CG 4.4Å; Y64-F84 HydrophobicContact CE2-CB 3.87Å; Y64-F84 AromaticContact CE2-CD2 3.69Å; Y64-F84 HydrophobicContact CE2-CD2 3.69Å; Y64-F84 HydrophobicContact CE2-CG 4.09Å; Y64-F84 HydrophobicContact CG-CD2 4.19Å; Y64-F84 HydrophobicContact CG-CE2 4.41Å; Y64-F86 HydrophobicContact CE2-CD2 4.41Å; Y64-F86 AromaticContact CE2-CE2 3.96Å; Y64-F86 HydrophobicContact CE2-CE2 3.96Å
65	F	92	Very high	87.1	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-67.9	-26.8	177.4	-61.3	-16.7	0	0	0	113.1	F49 G50 H63 L67 L68 T69 F126 Y138 Y231	F49-F65 VanDerWaalsContact O-CB 3.26Å; F49-F65 WeakPolarHBondContact O-CB 3.48Å; F49-F65 WeakPolarHBondContact O-CG 3.41Å; F49-F65 PolarHBondContact O-N 2.89Å; F49-F65 VanDerWaalsContact O-N 3.07Å; G50-F65 VanDerWaalsContact N-CE2 3.28Å; H63-F65 VanDerWaalsContact C-N 3.33Å; H63-F65 PolarHBondContact O-N 2.89Å; F65-L67 VanDerWaalsContact C-N 3.29Å; F65-L67 PolarHBondContact O-N 3.03Å; F65-L68 HydrophobicContact CD1-CD2 4.44Å; F65-T69 WeakPolarHBondContact O-CB 3.33Å; F65-T69 VanDerWaalsContact O-CG2 3.28Å; F65-T69 WeakPolarHBondContact O-CG2 3.42Å; F65-T69 PolarHBondContact O-N 2.99Å; F65-T69 VanDerWaalsContact O-N 3.08Å; F65-T69 PolarHBondContact O-OG1 3.39Å; F65-F126 HydrophobicContact CB-CD1 4.28Å; F65-F126 HydrophobicContact CB-CD2 4.34Å; F65-F126 HydrophobicContact CB-CE1 3.76Å; F65-F126 HydrophobicContact CB-CE2 3.81Å; F65-F126 HydrophobicContact CB-CZ 3.5Å; F65-F126 VanDerWaalsContact CB-CZ 3.5Å; F65-F126 HydrophobicContact CD2-CE1 4.01Å; F65-F126 AromaticContact CD2-CZ 3.66Å; F65-F126 HydrophobicContact CD2-CZ 3.66Å; F65-F126 HydrophobicContact CG-CE1 4.42Å; F65-F126 HydrophobicContact CG-CZ 4.01Å; F65-Y138 AromaticContact CD1-CE1 3.96Å; F65-Y138 HydrophobicContact CD1-CE1 3.96Å; F65-Y138 HydrophobicContact CE1-CE1 4.19Å; F65-Y138 HydrophobicContact CG-CE1 4.26Å; F65-Y231 AromaticContact CE1-CD1 3.55Å; F65-Y231 HydrophobicContact CE1-CD1 3.55Å; F65-Y231 HydrophobicContact CE1-CD2 4.07Å; F65-Y231 AromaticContact CE1-CE1 3.74Å; F65-Y231 HydrophobicContact CE1-CE1 3.74Å; F65-Y231 HydrophobicContact CE1-CE2 4.29Å; F65-Y231 AromaticContact CE1-CG 3.69Å; F65-Y231 HydrophobicContact CE1-CG 3.69Å; F65-Y231 AromaticContact CZ-CD1 3.33Å; F65-Y231 HydrophobicContact CZ-CD1 3.33Å; F65-Y231 HydrophobicContact CZ-CD2 4.41Å; F65-Y231 AromaticContact CZ-CE1 3.92Å; F65-Y231 HydrophobicContact CZ-CE1 3.92Å; F65-Y231 AromaticContact CZ-CG 3.59Å; F65-Y231 HydrophobicContact CZ-CG 3.59Å
66	C	91.3	Very high	86.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-32.1	173.4	-67.8	0	0	0	0	112	L38 C39 H63 Y64 S70	L38-C66 HydrophobicContact CB-CB 4.07Å; L38-C66 HydrophobicContact CD1-CB 3.93Å; C39-C66 VanDerWaalsContact SG-SG 3.66Å; H63-C66 HydrophobicContact CB-CB 4.05Å; H63-C66 WeakPolarHBondContact O-CB 3.32Å; H63-C66 PolarHBondContact O-N 2.67Å; Y64-C66 VanDerWaalsContact C-N 3.27Å; Y64-C66 PolarHBondContact O-N 3.3Å; C66-S70 WeakPolarHBondContact O-CB 3.36Å
67	L	90.1	Very high	86.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-73.8	-52.2	173.1	-73.2	171.4	0	0	0	110.8	L38 V62 H63 Y64 F65 T69 S70 V73 V83 F86 I91	L38-L67 HydrophobicContact CD1-CD2 3.84Å; L38-L67 HydrophobicContact CD1-CG 4.24Å; V62-L67 HydrophobicContact CB-CD1 4.21Å; V62-L67 HydrophobicContact CB-CG 4.27Å; V62-L67 HydrophobicContact CG2-CD1 3.73Å; V62-L67 HydrophobicContact CG2-CG 4.3Å; H63-L67 PolarHBondContact O-N 2.77Å; Y64-L67 WeakPolarHBondContact O-CB 3.28Å; Y64-L67 PolarHBondContact O-N 3.27Å; F65-L67 VanDerWaalsContact C-N 3.29Å; F65-L67 PolarHBondContact O-N 3.03Å; L67-T69 VanDerWaalsContact C-N 3.26Å; L67-T69 PolarHBondContact O-N 3.49Å; L67-S70 WeakPolarHBondContact O-CB 3.41Å; L67-S70 PolarHBondContact O-N 3.04Å; L67-V73 WeakPolarHBondContact O-CG1 3.37Å; L67-V83 HydrophobicContact CD1-CB 4.11Å; L67-V83 HydrophobicContact CD1-CG1 3.74Å; L67-F86 HydrophobicContact CB-CD2 4.11Å; L67-F86 HydrophobicContact CB-CE2 3.98Å; L67-F86 HydrophobicContact CB-CZ 4.3Å; L67-F86 HydrophobicContact CD1-CD2 4.12Å; L67-F86 HydrophobicContact CD1-CG 4.46Å; L67-I91 HydrophobicContact CD1-CD1 4.09Å; L67-I91 HydrophobicContact CD2-CB 4.33Å; L67-I91 HydrophobicContact CD2-CD1 4.15Å; L67-I91 HydrophobicContact CD2-CG1 3.75Å; L67-I91 HydrophobicContact CD2-CG2 3.9Å
68	L	88.1	Confident	86	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-39.8	-174.8	-158.1	65.2	0	0	0	112.5	Y64 F65 S70 F86 Y138 F142	Y64-L68 HydrophobicContact CE1-CD2 4.12Å; Y64-L68 HydrophobicContact CE2-CD1 4.35Å; Y64-L68 WeakPolarHBondContact O-CB 3.39Å; Y64-L68 PolarHBondContact O-N 2.9Å; F65-L68 HydrophobicContact CD1-CD2 4.44Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-F86 HydrophobicContact CD1-CE2 4.27Å; L68-F86 HydrophobicContact CD1-CZ 4.19Å; L68-Y138 HydrophobicContact CD2-CD1 3.61Å; L68-Y138 HydrophobicContact CD2-CE1 3.92Å; L68-F142 HydrophobicContact CD1-CD1 3.97Å; L68-F142 HydrophobicContact CD1-CD2 3.71Å; L68-F142 HydrophobicContact CD1-CE1 3.63Å; L68-F142 HydrophobicContact CD1-CE2 3.33Å; L68-F142 HydrophobicContact CD1-CG 4.03Å; L68-F142 HydrophobicContact CD1-CZ 3.3Å; L68-F142 HydrophobicContact CD2-CD1 3.72Å; L68-F142 HydrophobicContact CD2-CE1 3.69Å; L68-F142 HydrophobicContact CD2-CG 4.33Å; L68-F142 HydrophobicContact CD2-CZ 4.26Å; L68-F142 HydrophobicContact CG-CB 4.4Å; L68-F142 HydrophobicContact CG-CD1 3.49Å; L68-F142 VanDerWaalsContact CG-CD1 3.49Å; L68-F142 HydrophobicContact CG-CD2 3.78Å; L68-F142 HydrophobicContact CG-CE1 3.63Å; L68-F142 HydrophobicContact CG-CE2 3.9Å; L68-F142 HydrophobicContact CG-CG 3.6Å; L68-F142 HydrophobicContact CG-CZ 3.84Å; L68-F142 VanDerWaalsContact O-CB 3.3Å; L68-F142 WeakPolarHBondContact O-CB 3.49Å; L68-F142 WeakPolarHBondContact O-CD2 3.41Å
69	T	89.1	Confident	85.4	Confident	6 Å²	6	51.5 Å²	51.5	4%	0.037	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.9	-178.2	62.2	0	0	0	0	114.3	F65 L67 V113 F126 T136	F65-T69 WeakPolarHBondContact O-CB 3.33Å; F65-T69 VanDerWaalsContact O-CG2 3.28Å; F65-T69 WeakPolarHBondContact O-CG2 3.42Å; F65-T69 PolarHBondContact O-N 2.99Å; F65-T69 VanDerWaalsContact O-N 3.08Å; F65-T69 PolarHBondContact O-OG1 3.39Å; L67-T69 VanDerWaalsContact C-N 3.26Å; L67-T69 PolarHBondContact O-N 3.49Å; T69-V113 WeakPolarHBondContact OG1-CG2 3.49Å; T69-F126 HydrophobicContact CG2-CD2 3.87Å; T69-F126 HydrophobicContact CG2-CE2 3.85Å; T69-F126 WeakPolarHBondContact OG1-CD2 3.36Å; T69-T136 HydrophobicContact CG2-CG2 3.24Å
70	S	86.6	Confident	84.9	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.063	25%	0.249	C	C	.	.			trans	-80.5	128.1	-175.9	-179.4	0	0	0	0	111.6	C66 L67 L68 G72 E94	C66-S70 WeakPolarHBondContact O-CB 3.36Å; L67-S70 WeakPolarHBondContact O-CB 3.41Å; L67-S70 PolarHBondContact O-N 3.04Å; L68-S70 VanDerWaalsContact C-N 3.35Å; S70-G72 PolarHBondContact O-N 3.35Å; S70-G72 VanDerWaalsContact O-N 3.08Å; S70-E94 WeakPolarHBondContact OG-CG 3.33Å; S70-E94 PolarHBondContact OG-OE1 3Å
71	S	83.4	Confident	84.5	Confident	63 Å²	63	53.6 Å²	53.6	44%	0.441	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	1.4	-173.2	-45.4	0	0	0	0	115.6	C112 G114	S71-C112 PolarHBondContact N-O 2.9Å; S71-C112 PolarHBondContact OG-O 3.05Å; S71-G114 PolarHBondContact OG-N 2.81Å; S71-G114 VanDerWaalsContact OG-N 3.16Å
72	G	75.7	Confident	84	Confident	27 Å²	27	55.5 Å²	55.5	28%	0.278	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	15.2	-173.2	0	0	0	0	0	115.3	S70 E94	S70-G72 PolarHBondContact O-N 3.35Å; S70-G72 VanDerWaalsContact O-N 3.08Å; G72-E94 WeakPolarHBondContact CA-OE2 3.38Å
73	V	81.8	Confident	83.6	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.067	28%	0.284	C	S	.	.			trans	-128.9	145	176.9	73.7	0	0	0	0	109.6	L67 F86 D90 E94	L67-V73 WeakPolarHBondContact O-CG1 3.37Å; V73-F86 HydrophobicContact CG1-CD1 4.14Å; V73-F86 HydrophobicContact CG1-CE1 3.78Å; V73-F86 HydrophobicContact CG2-CD1 3.78Å; V73-F86 HydrophobicContact CG2-CE1 4.23Å; V73-D90 HydrophobicContact CG2-CB 3.99Å; V73-E94 HydrophobicContact CB-CB 4.01Å; V73-E94 HydrophobicContact CB-CG 4.08Å; V73-E94 HydrophobicContact CG1-CG 4.43Å; V73-E94 HydrophobicContact CG2-CB 4.4Å
74	Y	79.6	Confident	83.1	Confident	145 Å²	145	59.7 Å²	59.7	57%	0.569	30%	0.301	S	S	*	.			trans	-132.9	145.1	-177.9	-57.5	-83.9	0	0	0	109.4	R76	Y74-R76 PolarHBondContact O-N 3.06Å
75	Q	80.4	Confident	82.7	Confident	89 Å²	89	58.1 Å²	58.1	42%	0.416	30%	0.296	S	S	.	.			trans	-76.7	102.7	173.3	-68.1	175.4	-29.5	0	0	108.5	F84 G85 F86	Q75-F84 PolarHBondContact NE2-O 3.4Å; Q75-G85 WeakPolarHBondContact CA-O 3.23Å; Q75-F86 HydrophobicContact CB-CE1 4.43Å; Q75-F86 HydrophobicContact CG-CD1 3.72Å; Q75-F86 HydrophobicContact CG-CD2 3.88Å; Q75-F86 HydrophobicContact CG-CE1 3.4Å; Q75-F86 VanDerWaalsContact CG-CE1 3.4Å; Q75-F86 HydrophobicContact CG-CE2 3.57Å; Q75-F86 HydrophobicContact CG-CG 3.96Å; Q75-F86 HydrophobicContact CG-CZ 3.33Å
76	R	79.1	Confident	82.4	Confident	166 Å²	166	58.3 Å²	58.3	63%	0.626	30%	0.297	S	S	*	.			trans	-111.9	-17	-179.3	-63.7	-167.1	-66.3	175.8	3	113.3	Y74 G85 L87 D90	Y74-R76 PolarHBondContact O-N 3.06Å; R76-G85 PolarHBondContact N-O 2.9Å; R76-L87 HydrophobicContact CB-CD1 4.29Å; R76-D90 IonicContact CZ-OD1 3.13Å; R76-D90 IonicContact CZ-OD2 2.83Å; R76-D90 VanDerWaalsContact CZ-OD2 3.26Å; R76-D90 IonicContact NE-OD2 3.64Å; R76-D90 PolarHBondContact NE-OD2 3.46Å; R76-D90 IonicContact NH2-OD1 3.31Å; R76-D90 PolarHBondContact NH2-OD1 3.03Å; R76-D90 IonicContact NH2-OD2 3.66Å; R76-D90 PolarHBondContact NH2-OD2 3.1Å
77	G	80.8	Confident	82.3	Confident	16 Å²	16	60.9 Å²	60.9	17%	0.165	31%	0.311	C	S	.	.	S	Bend	trans	-90	169.3	174.6	0	0	0	0	0	111.5	E81 G85	G77-E81 WeakPolarHBondContact CA-OE2 3Å; G77-G85 PolarHBondContact N-O 3.33Å; G77-G85 WeakPolarHBondContact O-CA 3.47Å
78	E	75.8	Confident	82.2	Confident	137 Å²	137	62 Å²	62	64%	0.64	32%	0.317	S	S	*	.			trans	-69.4	163.2	171.9	-61.1	-62.3	150.9	0	0	111.1	N80 E81 G85	E78-N80 WeakPolarHBondContact CB-OD1 3.33Å; E78-N80 PolarHBondContact O-N 3.06Å; E78-E81 HydrophobicContact CB-CG 4.24Å; E78-E81 PolarHBondContact N-OE2 2.7Å; E78-E81 PolarHBondContact O-N 2.86Å; E78-G85 VanDerWaalsContact O-CA 3.25Å; E78-G85 WeakPolarHBondContact O-CA 3.29Å; E78-G85 PolarHBondContact O-N 3.44Å
79	E	72	Confident	82.2	Confident	174 Å²	174	66.8 Å²	66.8	81%	0.813	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-31.8	-175.2	-68.4	-175.3	167.7	0	0	114
80	N	78.2	Confident	82.1	Confident	144 Å²	144	67.3 Å²	67.3	77%	0.77	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.2	179.6	65.2	-28.3	0	0	0	114.1	E78	E78-N80 WeakPolarHBondContact CB-OD1 3.33Å; E78-N80 PolarHBondContact O-N 3.06Å
81	E	80.4	Confident	82.2	Confident	90 Å²	90	66.9 Å²	66.9	42%	0.421	34%	0.343	S	S	.	.	S	Bend	trans	-98.8	137.5	-179.7	-66.8	-171.3	148.5	0	0	112.4	G77 E78 V83 G85 L87	G77-E81 WeakPolarHBondContact CA-OE2 3Å; E78-E81 HydrophobicContact CB-CG 4.24Å; E78-E81 PolarHBondContact N-OE2 2.7Å; E78-E81 PolarHBondContact O-N 2.86Å; E81-V83 PolarHBondContact O-N 2.84Å; E81-G85 WeakPolarHBondContact O-CA 3.36Å; E81-G85 PolarHBondContact O-N 3.16Å; E81-L87 HydrophobicContact CB-CD2 4.36Å
82	G	84.1	Confident	82.6	Confident	43 Å²	43	67.1 Å²	67.1	44%	0.443	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	-121.6	177.2	0	0	0	0	0	112.5	F86	G82-F86 WeakPolarHBondContact CA-O 3.46Å
83	V	83.7	Confident	83.1	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.018	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-115.1	94	174.7	-179	0	0	0	0	108.1	V53 L55 V62 L67 E81 G85 F86 I91	V53-V83 HydrophobicContact CB-CG1 3.96Å; V53-V83 HydrophobicContact CB-CG2 4.37Å; V53-V83 HydrophobicContact CG1-CG1 4.2Å; V53-V83 HydrophobicContact CG1-CG2 3.97Å; V53-V83 HydrophobicContact CG2-CG1 3.81Å; L55-V83 HydrophobicContact CD1-CG2 3.82Å; L55-V83 HydrophobicContact CD2-CG2 3.96Å; L55-V83 HydrophobicContact CG-CG2 4.12Å; V62-V83 HydrophobicContact CG2-CG2 4.42Å; L67-V83 HydrophobicContact CD1-CB 4.11Å; L67-V83 HydrophobicContact CD1-CG1 3.74Å; E81-V83 PolarHBondContact O-N 2.84Å; V83-G85 VanDerWaalsContact C-N 3.35Å; V83-G85 PolarHBondContact O-N 2.96Å; V83-F86 HydrophobicContact CB-CB 4.46Å; V83-F86 PolarHBondContact N-O 3.39Å; V83-F86 VanDerWaalsContact O-CB 3.31Å; V83-F86 WeakPolarHBondContact O-CB 3.22Å; V83-F86 VanDerWaalsContact O-CD2 3.24Å; V83-F86 WeakPolarHBondContact O-CD2 3.42Å; V83-F86 PolarHBondContact O-N 3.13Å; V83-I91 HydrophobicContact CB-CD1 4.01Å; V83-I91 HydrophobicContact CG2-CD1 3.75Å
84	F	81.9	Confident	83.6	Confident	85 Å²	85	70.7 Å²	70.7	37%	0.373	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	50.4	-179	-51	-71.2	0	0	0	112.8	E51 V53 Y64 Q75 F86	E51-F84 WeakPolarHBondContact OE2-CZ 3.4Å; V53-F84 HydrophobicContact CG2-CE2 3.82Å; Y64-F84 AromaticContact CD2-CD2 3.56Å; Y64-F84 HydrophobicContact CD2-CD2 3.56Å; Y64-F84 HydrophobicContact CD2-CE2 4.19Å; Y64-F84 HydrophobicContact CD2-CG 4.4Å; Y64-F84 HydrophobicContact CE2-CB 3.87Å; Y64-F84 AromaticContact CE2-CD2 3.69Å; Y64-F84 HydrophobicContact CE2-CD2 3.69Å; Y64-F84 HydrophobicContact CE2-CG 4.09Å; Y64-F84 HydrophobicContact CG-CD2 4.19Å; Y64-F84 HydrophobicContact CG-CE2 4.41Å; Q75-F84 PolarHBondContact NE2-O 3.4Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 3.1Å
85	G	83.1	Confident	84.1	Confident	3 Å²	3	65.3 Å²	65.3	3%	0.031	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-5.6	-177.9	0	0	0	0	0	115.8	Q75 R76 G77 E78 E81 V83 L87	Q75-G85 WeakPolarHBondContact CA-O 3.23Å; R76-G85 PolarHBondContact N-O 2.9Å; G77-G85 PolarHBondContact N-O 3.33Å; G77-G85 WeakPolarHBondContact O-CA 3.47Å; E78-G85 VanDerWaalsContact O-CA 3.25Å; E78-G85 WeakPolarHBondContact O-CA 3.29Å; E78-G85 PolarHBondContact O-N 3.44Å; E81-G85 WeakPolarHBondContact O-CA 3.36Å; E81-G85 PolarHBondContact O-N 3.16Å; V83-G85 VanDerWaalsContact C-N 3.35Å; V83-G85 PolarHBondContact O-N 2.96Å; G85-L87 PolarHBondContact O-N 2.81Å
86	F	85.5	Confident	84.6	Confident	5 Å²	5	69.1 Å²	69.1	2%	0.022	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-83	107.5	169.3	-66.6	-73.3	0	0	0	110.7	Y64 L67 L68 V73 Q75 G82 V83 F84 V88 I91	Y64-F86 HydrophobicContact CE2-CD2 4.41Å; Y64-F86 AromaticContact CE2-CE2 3.96Å; Y64-F86 HydrophobicContact CE2-CE2 3.96Å; L67-F86 HydrophobicContact CB-CD2 4.11Å; L67-F86 HydrophobicContact CB-CE2 3.98Å; L67-F86 HydrophobicContact CB-CZ 4.3Å; L67-F86 HydrophobicContact CD1-CD2 4.12Å; L67-F86 HydrophobicContact CD1-CG 4.46Å; L68-F86 HydrophobicContact CD1-CE2 4.27Å; L68-F86 HydrophobicContact CD1-CZ 4.19Å; V73-F86 HydrophobicContact CG1-CD1 4.14Å; V73-F86 HydrophobicContact CG1-CE1 3.78Å; V73-F86 HydrophobicContact CG2-CD1 3.78Å; V73-F86 HydrophobicContact CG2-CE1 4.23Å; Q75-F86 HydrophobicContact CB-CE1 4.43Å; Q75-F86 HydrophobicContact CG-CD1 3.72Å; Q75-F86 HydrophobicContact CG-CD2 3.88Å; Q75-F86 HydrophobicContact CG-CE1 3.4Å; Q75-F86 VanDerWaalsContact CG-CE1 3.4Å; Q75-F86 HydrophobicContact CG-CE2 3.57Å; Q75-F86 HydrophobicContact CG-CG 3.96Å; Q75-F86 HydrophobicContact CG-CZ 3.33Å; G82-F86 WeakPolarHBondContact CA-O 3.46Å; V83-F86 HydrophobicContact CB-CB 4.46Å; V83-F86 PolarHBondContact N-O 3.39Å; V83-F86 VanDerWaalsContact O-CB 3.31Å; V83-F86 WeakPolarHBondContact O-CB 3.22Å; V83-F86 VanDerWaalsContact O-CD2 3.24Å; V83-F86 WeakPolarHBondContact O-CD2 3.42Å; V83-F86 PolarHBondContact O-N 3.13Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 3.1Å; F86-V88 PolarHBondContact O-N 3.22Å; F86-I91 HydrophobicContact CB-CD1 3.94Å; F86-I91 HydrophobicContact CB-CG1 4.03Å
87	L	88.1	Confident	85.2	Confident	55 Å²	55	64 Å²	64	29%	0.288	32%	0.316	S	S	.	.			trans	-61.9	136	176.7	-59.8	179.3	0	0	0	111	R76 E81 G85 D89 D90 I91	R76-L87 HydrophobicContact CB-CD1 4.29Å; E81-L87 HydrophobicContact CB-CD2 4.36Å; G85-L87 PolarHBondContact O-N 2.81Å; L87-D89 PolarHBondContact O-N 3.08Å; L87-D89 VanDerWaalsContact O-N 3.16Å; L87-D90 HydrophobicContact CB-CB 4.47Å; L87-D90 WeakPolarHBondContact O-CB 3.38Å; L87-D90 PolarHBondContact O-N 2.88Å; L87-I91 WeakPolarHBondContact O-CG1 3.35Å; L87-I91 PolarHBondContact O-N 3.2Å; L87-I91 VanDerWaalsContact O-N 3.08Å
88	V	89.7	Confident	85.6	Confident	24 Å²	24	63.3 Å²	63.3	15%	0.145	31%	0.309	C	S	.	.	H	α-helix	trans	-57.1	-37.3	-174.5	-177	0	0	0	0	112.1	L55 H58 F60 F86 D90 I91 K92	L55-V88 HydrophobicContact CD1-CG1 4.32Å; L55-V88 HydrophobicContact CD1-CG2 4.35Å; L55-V88 HydrophobicContact CD2-CG2 4.45Å; H58-V88 HydrophobicContact CB-CG1 4.42Å; H58-V88 WeakPolarHBondContact CD2-CG1 3.37Å; H58-V88 WeakPolarHBondContact NE2-CG1 3.37Å; F60-V88 HydrophobicContact CE1-CG1 4.25Å; F60-V88 HydrophobicContact CZ-CG1 4.16Å; F86-V88 PolarHBondContact O-N 3.22Å; V88-D90 VanDerWaalsContact C-N 3.33Å; V88-D90 PolarHBondContact O-N 3.42Å; V88-I91 WeakPolarHBondContact O-CB 3.49Å; V88-I91 PolarHBondContact O-N 2.85Å; V88-K92 HydrophobicContact CG1-CD 4.49Å; V88-K92 WeakPolarHBondContact O-CG 3.37Å; V88-K92 PolarHBondContact O-N 3.27Å
89	D	87	Confident	86.3	Confident	107 Å²	107	59.2 Å²	59.2	57%	0.572	30%	0.298	S	S	*	.	H	α-helix	trans	-69.4	-31	179.6	-71.3	-23.4	0	0	0	113.1	L87 K92 Q93	L87-D89 PolarHBondContact O-N 3.08Å; L87-D89 VanDerWaalsContact O-N 3.16Å; D89-K92 PolarHBondContact O-N 2.94Å; D89-K92 IonicContact OD1-NZ 2.7Å; D89-K92 PolarHBondContact OD1-NZ 2.9Å; D89-Q93 WeakPolarHBondContact O-CB 3.44Å; D89-Q93 PolarHBondContact O-N 2.79Å
90	D	86.8	Confident	87.2	Confident	18 Å²	18	59.5 Å²	59.5	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-40	172.8	-66.4	-14.9	0	0	0	110.4	V73 R76 L87 V88 K92 Q93 E94	V73-D90 HydrophobicContact CG2-CB 3.99Å; R76-D90 IonicContact CZ-OD1 3.13Å; R76-D90 IonicContact CZ-OD2 2.83Å; R76-D90 VanDerWaalsContact CZ-OD2 3.26Å; R76-D90 IonicContact NE-OD2 3.64Å; R76-D90 PolarHBondContact NE-OD2 3.46Å; R76-D90 IonicContact NH2-OD1 3.31Å; R76-D90 PolarHBondContact NH2-OD1 3.03Å; R76-D90 IonicContact NH2-OD2 3.66Å; R76-D90 PolarHBondContact NH2-OD2 3.1Å; L87-D90 HydrophobicContact CB-CB 4.47Å; L87-D90 WeakPolarHBondContact O-CB 3.38Å; L87-D90 PolarHBondContact O-N 2.88Å; V88-D90 VanDerWaalsContact C-N 3.33Å; V88-D90 PolarHBondContact O-N 3.42Å; D90-K92 VanDerWaalsContact C-N 3.35Å; D90-K92 PolarHBondContact O-N 3.38Å; D90-Q93 WeakPolarHBondContact O-CB 3.32Å; D90-Q93 PolarHBondContact O-N 3.23Å; D90-E94 WeakPolarHBondContact O-CB 3.41Å; D90-E94 PolarHBondContact O-N 3.24Å
91	I	89.4	Confident	87.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-45.6	172.7	-58.5	174.4	0	0	0	110.4	L55 F60 V62 L67 V83 F86 L87 V88 Q93 E94 I95	L55-I91 HydrophobicContact CD1-CD1 4.46Å; F60-I91 HydrophobicContact CE2-CG2 3.67Å; F60-I91 HydrophobicContact CZ-CB 4.44Å; F60-I91 HydrophobicContact CZ-CG2 3.85Å; V62-I91 HydrophobicContact CG1-CG2 4.09Å; L67-I91 HydrophobicContact CD1-CD1 4.09Å; L67-I91 HydrophobicContact CD2-CB 4.33Å; L67-I91 HydrophobicContact CD2-CD1 4.15Å; L67-I91 HydrophobicContact CD2-CG1 3.75Å; L67-I91 HydrophobicContact CD2-CG2 3.9Å; V83-I91 HydrophobicContact CB-CD1 4.01Å; V83-I91 HydrophobicContact CG2-CD1 3.75Å; F86-I91 HydrophobicContact CB-CD1 3.94Å; F86-I91 HydrophobicContact CB-CG1 4.03Å; L87-I91 WeakPolarHBondContact O-CG1 3.35Å; L87-I91 PolarHBondContact O-N 3.2Å; L87-I91 VanDerWaalsContact O-N 3.08Å; V88-I91 WeakPolarHBondContact O-CB 3.49Å; V88-I91 PolarHBondContact O-N 2.85Å; I91-Q93 VanDerWaalsContact C-N 3.34Å; I91-Q93 PolarHBondContact O-N 3.5Å; I91-E94 PolarHBondContact O-N 3.27Å; I91-I95 HydrophobicContact CG2-CD1 3.9Å; I91-I95 HydrophobicContact CG2-CG1 4.46Å; I91-I95 VanDerWaalsContact O-CG1 3.25Å; I91-I95 WeakPolarHBondContact O-CG1 3.24Å; I91-I95 PolarHBondContact O-N 2.91Å
92	K	90.8	Very high	88.5	Confident	67 Å²	67	54.7 Å²	54.7	29%	0.291	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-38.3	176	-70.1	170.7	-167.2	153.3	0	112.1	H58 F60 V88 D89 D90 E94 R96	H58-K92 PolarHBondContact ND1-NZ 2.85Å; F60-K92 HydrophobicContact CE1-CG 4.26Å; V88-K92 HydrophobicContact CG1-CD 4.49Å; V88-K92 WeakPolarHBondContact O-CG 3.37Å; V88-K92 PolarHBondContact O-N 3.27Å; D89-K92 PolarHBondContact O-N 2.94Å; D89-K92 IonicContact OD1-NZ 2.7Å; D89-K92 PolarHBondContact OD1-NZ 2.9Å; D90-K92 VanDerWaalsContact C-N 3.35Å; D90-K92 PolarHBondContact O-N 3.38Å; K92-E94 VanDerWaalsContact C-N 3.34Å; K92-R96 WeakPolarHBondContact O-CG 3.48Å; K92-R96 PolarHBondContact O-N 3.35Å; K92-R96 VanDerWaalsContact O-N 3.15Å; K92-R96 PolarHBondContact O-NE 3.38Å
93	Q	87.5	Confident	89.1	Confident	113 Å²	113	52.7 Å²	52.7	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-42.6	174.5	-177.6	172.1	-2.2	0	0	111.2	D89 D90 I91 R96 R97	D89-Q93 WeakPolarHBondContact O-CB 3.44Å; D89-Q93 PolarHBondContact O-N 2.79Å; D90-Q93 WeakPolarHBondContact O-CB 3.32Å; D90-Q93 PolarHBondContact O-N 3.23Å; I91-Q93 VanDerWaalsContact C-N 3.34Å; I91-Q93 PolarHBondContact O-N 3.5Å; Q93-R96 WeakPolarHBondContact O-CB 3.49Å; Q93-R96 PolarHBondContact O-N 3.07Å; Q93-R97 PolarHBondContact O-N 2.81Å
94	E	91.2	Very high	89.6	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-41.4	178.2	-179.9	48.4	-143.4	0	0	112.2	L38 S70 G72 V73 D90 I91 K92 R96 R97 A98	L38-E94 HydrophobicContact CD2-CG 4.12Å; S70-E94 WeakPolarHBondContact OG-CG 3.33Å; S70-E94 PolarHBondContact OG-OE1 3Å; G72-E94 WeakPolarHBondContact CA-OE2 3.38Å; V73-E94 HydrophobicContact CB-CB 4.01Å; V73-E94 HydrophobicContact CB-CG 4.08Å; V73-E94 HydrophobicContact CG1-CG 4.43Å; V73-E94 HydrophobicContact CG2-CB 4.4Å; D90-E94 WeakPolarHBondContact O-CB 3.41Å; D90-E94 PolarHBondContact O-N 3.24Å; I91-E94 PolarHBondContact O-N 3.27Å; K92-E94 VanDerWaalsContact C-N 3.34Å; E94-R96 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.48Å; E94-R97 VanDerWaalsContact CD-NE 3.27Å; E94-R97 WeakPolarHBondContact O-CB 3.43Å; E94-R97 PolarHBondContact O-N 2.94Å; E94-R97 VanDerWaalsContact O-N 3.08Å; E94-R97 IonicContact OE1-CZ 3.86Å; E94-R97 VanDerWaalsContact OE1-CZ 3.23Å; E94-R97 IonicContact OE1-NE 2.86Å; E94-R97 PolarHBondContact OE1-NE 3.26Å; E94-R97 IonicContact OE1-NH2 3.93Å; E94-R97 PolarHBondContact OE1-NH2 2.99Å; E94-R97 WeakPolarHBondContact OE2-CD 3.44Å; E94-R97 IonicContact OE2-CZ 3.99Å; E94-R97 IonicContact OE2-NE 3Å; E94-R97 PolarHBondContact OE2-NE 3.16Å; E94-R97 IonicContact OE2-NH2 2.81Å; E94-A98 VanDerWaalsContact O-CB 3.29Å; E94-A98 WeakPolarHBondContact O-CB 3.17Å; E94-A98 PolarHBondContact O-N 3.02Å
95	I	91.4	Very high	90.1	Very high	32 Å²	32	55.3 Å²	55.3	16%	0.164	27%	0.267	C	S	.	.	H	α-helix	trans	-56.5	-43.4	172.8	-69.2	162.1	0	0	0	110.7	A37 L38 F60 I91 A99	A37-I95 HydrophobicContact CB-CD1 3.59Å; A37-I95 HydrophobicContact CB-CG1 4.06Å; L38-I95 HydrophobicContact CD2-CG1 3.78Å; L38-I95 HydrophobicContact CG-CG1 4.29Å; F60-I95 HydrophobicContact CD2-CD1 4.24Å; F60-I95 HydrophobicContact CE2-CD1 4.08Å; F60-I95 HydrophobicContact CZ-CD1 4.4Å; I91-I95 HydrophobicContact CG2-CD1 3.9Å; I91-I95 HydrophobicContact CG2-CG1 4.46Å; I91-I95 VanDerWaalsContact O-CG1 3.25Å; I91-I95 WeakPolarHBondContact O-CG1 3.24Å; I91-I95 PolarHBondContact O-N 2.91Å; I95-A99 WeakPolarHBondContact O-CB 3.11Å; I95-A99 PolarHBondContact O-N 3.23Å
96	R	90.8	Very high	90.6	Very high	168 Å²	168	57.6 Å²	57.6	63%	0.634	28%	0.282	S	S	*	.	H	α-helix	trans	-65.9	-38.6	175.9	-72.3	179.7	-72	157.1	-3.9	112.2	K92 Q93 E94	K92-R96 WeakPolarHBondContact O-CG 3.48Å; K92-R96 PolarHBondContact O-N 3.35Å; K92-R96 VanDerWaalsContact O-N 3.15Å; K92-R96 PolarHBondContact O-NE 3.38Å; Q93-R96 WeakPolarHBondContact O-CB 3.49Å; Q93-R96 PolarHBondContact O-N 3.07Å; E94-R96 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.48Å
97	R	90.8	Very high	91.1	Very high	60 Å²	60	63.9 Å²	63.9	23%	0.226	31%	0.31	C	S	.	.	H	α-helix	trans	-64.8	-54.6	175.7	-172.2	-162.7	72	101.7	-2.9	110.7	Q93 E94 A99 R100 C112	Q93-R97 PolarHBondContact O-N 2.81Å; E94-R97 VanDerWaalsContact CD-NE 3.27Å; E94-R97 WeakPolarHBondContact O-CB 3.43Å; E94-R97 PolarHBondContact O-N 2.94Å; E94-R97 VanDerWaalsContact O-N 3.08Å; E94-R97 IonicContact OE1-CZ 3.86Å; E94-R97 VanDerWaalsContact OE1-CZ 3.23Å; E94-R97 IonicContact OE1-NE 2.86Å; E94-R97 PolarHBondContact OE1-NE 3.26Å; E94-R97 IonicContact OE1-NH2 3.93Å; E94-R97 PolarHBondContact OE1-NH2 2.99Å; E94-R97 WeakPolarHBondContact OE2-CD 3.44Å; E94-R97 IonicContact OE2-CZ 3.99Å; E94-R97 IonicContact OE2-NE 3Å; E94-R97 PolarHBondContact OE2-NE 3.16Å; E94-R97 IonicContact OE2-NH2 2.81Å; R97-A99 PolarHBondContact O-N 3.11Å; R97-R100 WeakPolarHBondContact O-CB 3.42Å; R97-R100 PolarHBondContact O-N 3.39Å; R97-C112 PolarHBondContact NH2-O 3.12Å
98	A	89.9	Confident	91.3	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-58.3	-35.7	-178.6	0	0	0	0	0	112.1	L38 E94 R100 M101 G110 A111 C112	L38-A98 HydrophobicContact CD2-CB 4.34Å; E94-A98 VanDerWaalsContact O-CB 3.29Å; E94-A98 WeakPolarHBondContact O-CB 3.17Å; E94-A98 PolarHBondContact O-N 3.02Å; A98-R100 PolarHBondContact O-N 3.34Å; A98-M101 PolarHBondContact O-N 3.23Å; A98-G110 CarbonylContact O-C 3.51Å; A98-G110 WeakPolarHBondContact O-CA 3.39Å; A98-G110 PolarHBondContact O-N 2.96Å; A98-A111 PolarHBondContact O-N 3.43Å; A98-C112 HydrophobicContact CB-CB 3.94Å
99	A	90.5	Very high	91.4	Very high	50 Å²	50	72.8 Å²	72.8	41%	0.413	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.5	176	0	0	0	0	0	113.9	I95 R97 K109	I95-A99 WeakPolarHBondContact O-CB 3.11Å; I95-A99 PolarHBondContact O-N 3.23Å; R97-A99 PolarHBondContact O-N 3.11Å; A99-K109 WeakPolarHBondContact O-CB 3.47Å
100	R	90	Very high	91.5	Very high	180 Å²	180	68.1 Å²	68.1	68%	0.679	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-23.5	176.7	-61.6	179.3	-70.2	176.3	-1.1	112.9	R97 A98 K109	R97-R100 WeakPolarHBondContact O-CB 3.42Å; R97-R100 PolarHBondContact O-N 3.39Å; A98-R100 PolarHBondContact O-N 3.34Å; R100-K109 PolarHBondContact O-NZ 3Å
101	M	91.4	Very high	91.8	Very high	67 Å²	67	67.2 Å²	67.2	33%	0.33	32%	0.316	S	S	.	.	S	Bend	trans	-85	137.8	-175.4	-57.9	-56.8	-74.1	0	0	111.5	A98 K109 G110 A111 V123	A98-M101 PolarHBondContact O-N 3.23Å; M101-K109 CarbonylContact O-C 3.46Å; M101-K109 VanDerWaalsContact O-CA 3.29Å; M101-K109 WeakPolarHBondContact O-CA 3.38Å; M101-G110 PolarHBondContact O-N 2.92Å; M101-A111 HydrophobicContact CB-CB 4.31Å; M101-A111 WeakPolarHBondContact CB-O 3.41Å; M101-A111 PolarHBondContact O-N 3.5Å; M101-V123 HydrophobicContact CE-CB 4.45Å; M101-V123 HydrophobicContact CE-CG1 4.39Å; M101-V123 HydrophobicContact CE-CG2 3.91Å
102	T	95.1	Very high	91.8	Very high	67 Å²	67	67.2 Å²	67.2	41%	0.411	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-99.7	127.6	178.6	-55.1	0	0	0	0	110.2	Y104 K107 K109	T102-Y104 PolarHBondContact O-N 3.5Å; T102-K107 WeakPolarHBondContact CG2-O 3.38Å; T102-K109 WeakPolarHBondContact OG1-CE 3.4Å; T102-K109 PolarHBondContact OG1-NZ 3.02Å
103	C	95.9	Very high	91.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-65.6	129.3	177.3	176.4	0	0	0	0	111.5	G105 C106 K107 K108 A111 V123 H125	C103-G105 VanDerWaalsContact C-N 3.31Å; C103-G105 PolarHBondContact O-N 3.1Å; C103-G105 PolarHBondContact SG-N 3.13Å; C103-G105 VanDerWaalsContact SG-N 3.37Å; C103-C106 VanDerWaalsContact CB-SG 3.59Å; C103-C106 PolarHBondContact SG-N 3.27Å; C103-K107 WeakPolarHBondContact O-CA 3.44Å; C103-K107 PolarHBondContact O-N 2.72Å; C103-K108 WeakPolarHBondContact CB-O 3.38Å; C103-K108 PolarHBondContact N-O 2.98Å; C103-A111 HydrophobicContact CB-CB 3.86Å; C103-V123 CarbonylContact C-O 3.51Å; C103-V123 WeakPolarHBondContact CA-O 3.44Å; C103-H125 WeakPolarHBondContact CB-ND1 3.47Å
104	Y	94.4	Very high	92.1	Very high	111 Å²	111	59.4 Å²	59.4	44%	0.435	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-39.2	176.3	177.8	-99.3	0	0	0	112.5	T102 K107 K122 V123 L132	T102-Y104 PolarHBondContact O-N 3.5Å; Y104-K107 VanDerWaalsContact O-CE 3.3Å; Y104-K107 WeakPolarHBondContact O-CE 3.39Å; Y104-K107 PolarHBondContact O-NZ 2.97Å; Y104-K122 HydrophobicContact CD1-CD 4.46Å; Y104-K122 HydrophobicContact CD1-CG 4.44Å; Y104-K122 HydrophobicContact CD2-CG 4.13Å; Y104-K122 HydrophobicContact CE1-CD 4.29Å; Y104-K122 HydrophobicContact CE2-CG 4.28Å; Y104-K122 HydrophobicContact CG-CG 4.21Å; Y104-V123 WeakPolarHBondContact CB-O 3.44Å; Y104-V123 PolarHBondContact N-O 3.34Å; Y104-L132 HydrophobicContact CD1-CD1 4.02Å
105	G	92.8	Very high	92.3	Very high	32 Å²	32	60.1 Å²	60.1	33%	0.33	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-74.3	176.8	0	0	0	0	0	114.3	C103 K107	C103-G105 VanDerWaalsContact C-N 3.31Å; C103-G105 PolarHBondContact O-N 3.1Å; C103-G105 PolarHBondContact SG-N 3.13Å; C103-G105 VanDerWaalsContact SG-N 3.37Å; G105-K107 VanDerWaalsContact C-N 3.32Å; G105-K107 PolarHBondContact O-N 3.47Å
106	C	94.3	Very high	92.3	Very high	51 Å²	51	63 Å²	63	35%	0.345	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.6	-171.6	75.2	0	0	0	0	115.3	C103 K108 H125	C103-C106 VanDerWaalsContact CB-SG 3.59Å; C103-C106 PolarHBondContact SG-N 3.27Å; C106-K108 PolarHBondContact O-N 2.79Å; C106-K108 VanDerWaalsContact O-N 3.08Å; C106-K108 PolarHBondContact SG-N 2.9Å; C106-H125 PolarHBondContact SG-CE1 3.25Å; C106-H125 PolarHBondContact SG-ND1 2.77Å; C106-H125 VanDerWaalsContact SG-ND1 3.38Å
107	K	94.6	Very high	92.4	Very high	138 Å²	138	57.1 Å²	57.1	60%	0.6	29%	0.287	S	S	*	.			trans	60.7	9.7	-177.2	-49.4	-55.6	-173.1	-169.7	0	115.9	T102 C103 Y104 G105	T102-K107 WeakPolarHBondContact CG2-O 3.38Å; C103-K107 WeakPolarHBondContact O-CA 3.44Å; C103-K107 PolarHBondContact O-N 2.72Å; Y104-K107 VanDerWaalsContact O-CE 3.3Å; Y104-K107 WeakPolarHBondContact O-CE 3.39Å; Y104-K107 PolarHBondContact O-NZ 2.97Å; G105-K107 VanDerWaalsContact C-N 3.32Å; G105-K107 PolarHBondContact O-N 3.47Å
108	K	93.1	Very high	92.2	Very high	148 Å²	148	60.3 Å²	60.3	64%	0.643	32%	0.319	S	S	*	.			trans	-88.6	158.1	174.6	-59.6	179.7	-179.3	179.5	0	111.6	C103 C106	C103-K108 WeakPolarHBondContact CB-O 3.38Å; C103-K108 PolarHBondContact N-O 2.98Å; C106-K108 PolarHBondContact O-N 2.79Å; C106-K108 VanDerWaalsContact O-N 3.08Å; C106-K108 PolarHBondContact SG-N 2.9Å
109	K	91.9	Very high	92.3	Very high	118 Å²	118	64.9 Å²	64.9	51%	0.513	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-71.1	162.2	174.2	-68.2	-61.3	-170.5	-179.3	0	112.4	A99 R100 M101 T102 H125	A99-K109 WeakPolarHBondContact O-CB 3.47Å; R100-K109 PolarHBondContact O-NZ 3Å; M101-K109 CarbonylContact O-C 3.46Å; M101-K109 VanDerWaalsContact O-CA 3.29Å; M101-K109 WeakPolarHBondContact O-CA 3.38Å; T102-K109 WeakPolarHBondContact OG1-CE 3.4Å; T102-K109 PolarHBondContact OG1-NZ 3.02Å; K109-H125 PolarHBondContact O-NE2 2.75Å
110	G	89.4	Confident	92.5	Very high	8 Å²	8	63.5 Å²	63.5	8%	0.082	34%	0.338	C	S	.	.			trans	102.6	10.4	177	0	0	0	0	0	115	L38 A98 M101 H125	L38-G110 VanDerWaalsContact O-O 3.07Å; A98-G110 CarbonylContact O-C 3.51Å; A98-G110 WeakPolarHBondContact O-CA 3.39Å; A98-G110 PolarHBondContact O-N 2.96Å; M101-G110 PolarHBondContact O-N 2.92Å; G110-H125 VanDerWaalsContact C-CD2 3.44Å; G110-H125 VanDerWaalsContact C-NE2 3.29Å; G110-H125 PolarHBondContact O-CD2 3.47Å; G110-H125 PolarHBondContact O-NE2 3.34Å
111	A	92.1	Very high	92.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.348	C	S	.	.			trans	-75.5	127.5	-176.1	0	0	0	0	0	111.4	A98 M101 C103 V123	A98-A111 PolarHBondContact O-N 3.43Å; M101-A111 HydrophobicContact CB-CB 4.31Å; M101-A111 WeakPolarHBondContact CB-O 3.41Å; M101-A111 PolarHBondContact O-N 3.5Å; C103-A111 HydrophobicContact CB-CB 3.86Å; A111-V123 HydrophobicContact CB-CG1 3.82Å
112	C	89.9	Confident	92.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.339	C	S	.	.			trans	-117.3	-17.2	-174.7	58.5	0	0	0	0	114.4	L38 S71 R97 A98 V124	L38-C112 HydrophobicContact CD2-CB 4.44Å; S71-C112 PolarHBondContact N-O 2.9Å; S71-C112 PolarHBondContact OG-O 3.05Å; R97-C112 PolarHBondContact NH2-O 3.12Å; A98-C112 HydrophobicContact CB-CB 3.94Å; C112-V124 PolarHBondContact N-O 2.94Å
113	V	93.5	Very high	92.7	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.4	-175.3	-173.8	0	0	0	0	110.4	T69 V123 V124 F126 S144	T69-V113 WeakPolarHBondContact OG1-CG2 3.49Å; V113-V123 CarbonylContact O-C 3.6Å; V113-V123 VanDerWaalsContact O-CA 3.25Å; V113-V123 WeakPolarHBondContact O-CA 3.36Å; V113-V123 WeakPolarHBondContact O-CG1 3.41Å; V113-V124 HydrophobicContact CB-CG2 4.13Å; V113-V124 WeakPolarHBondContact CB-O 3.31Å; V113-V124 HydrophobicContact CG1-CG2 4.45Å; V113-V124 PolarHBondContact N-O 2.99Å; V113-V124 PolarHBondContact O-N 3.15Å; V113-F126 HydrophobicContact CG2-CB 3.89Å; V113-F126 HydrophobicContact CG2-CD2 4.49Å; V113-S144 WeakPolarHBondContact CG1-OG 3.49Å
114	G	92.1	Very high	92.7	Very high	13 Å²	13	62.5 Å²	62.5	13%	0.134	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	153.5	176.2	0	0	0	0	0	113.2	S71 S144	S71-G114 PolarHBondContact OG-N 2.81Å; S71-G114 VanDerWaalsContact OG-N 3.16Å; G114-S144 WeakPolarHBondContact O-CB 3.39Å
115	C	93.9	Very high	92.7	Very high	15 Å²	15	57.6 Å²	57.6	10%	0.101	31%	0.308	C	S	.	.			trans	-67.6	135.4	165.5	-174.3	0	0	0	0	110.4	V117 C120 K122 S144 C146	C115-V117 PolarHBondContact O-N 2.82Å; C115-C120 HydrophobicContact CB-CB 3.8Å; C115-K122 PolarHBondContact N-O 2.9Å; C115-S144 CarbonylContact C-O 3.33Å; C115-S144 WeakPolarHBondContact CA-O 3.48Å; C115-C146 HydrophobicContact CB-CB 4.46Å
116	N	92.7	Very high	92.7	Very high	94 Å²	94	56.4 Å²	56.4	50%	0.503	29%	0.293	S	S	.	.	S	Bend	trans	-71	-17.2	-177.1	-166.6	49.8	0	0	0	113.4	S118 P143 S144 Y145	N116-S118 PolarHBondContact O-N 2.87Å; N116-P143 HydrophobicContact CB-CB 3.85Å; N116-P143 WeakPolarHBondContact ND2-CB 3.19Å; N116-S144 PolarHBondContact N-O 3.47Å; N116-Y145 HydrophobicContact CB-CD1 4.3Å; N116-Y145 HydrophobicContact CB-CE1 3.84Å; N116-Y145 PolarHBondContact ND2-OH 3.37Å
117	V	91.1	Very high	92.7	Very high	43 Å²	43	54.7 Å²	54.7	26%	0.261	28%	0.281	S	S	.	.	S	Bend	trans	-73.6	117.7	174.9	177.6	0	0	0	0	109.1	C115 S119 C120 Y145 H149	C115-V117 PolarHBondContact O-N 2.82Å; V117-S119 WeakPolarHBondContact CG1-OG 3.25Å; V117-S119 PolarHBondContact O-N 3.45Å; V117-S119 VanDerWaalsContact O-N 3.15Å; V117-C120 HydrophobicContact CB-CB 4.01Å; V117-C120 HydrophobicContact CG1-CB 4.35Å; V117-C120 WeakPolarHBondContact O-CA 3.16Å; V117-C120 VanDerWaalsContact O-CB 3.24Å; V117-C120 WeakPolarHBondContact O-CB 3.4Å; V117-C120 PolarHBondContact O-N 2.93Å; V117-Y145 HydrophobicContact CG2-CD1 4.42Å; V117-H149 HydrophobicContact CG2-CB 3.73Å
118	S	87.9	Confident	92.7	Very high	128 Å²	128	49.2 Å²	49.2	90%	0.895	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.8	-173.4	58.9	0	0	0	0	114.8	N116 C120	N116-S118 PolarHBondContact O-N 2.87Å; S118-C120 VanDerWaalsContact C-N 3.32Å
119	S	92.1	Very high	92.7	Very high	96 Å²	96	42.2 Å²	42.2	67%	0.671	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.4	174.6	60.7	0	0	0	0	113.3	V117	V117-S119 WeakPolarHBondContact CG1-OG 3.25Å; V117-S119 PolarHBondContact O-N 3.45Å; V117-S119 VanDerWaalsContact O-N 3.15Å
120	C	93.6	Very high	92.6	Very high	22 Å²	22	39.3 Å²	39.3	15%	0.149	22%	0.216	C	C	.	.			trans	-89.2	118.5	-178.2	-165	0	0	0	0	111.5	C115 V117 S118	C115-C120 HydrophobicContact CB-CB 3.8Å; V117-C120 HydrophobicContact CB-CB 4.01Å; V117-C120 HydrophobicContact CG1-CB 4.35Å; V117-C120 WeakPolarHBondContact O-CA 3.16Å; V117-C120 VanDerWaalsContact O-CB 3.24Å; V117-C120 WeakPolarHBondContact O-CB 3.4Å; V117-C120 PolarHBondContact O-N 2.93Å; S118-C120 VanDerWaalsContact C-N 3.32Å
121	R	91.6	Very high	92.7	Very high	235 Å²	235	47 Å²	47	89%	0.887	25%	0.248	S	C	*	.			trans	-94.6	13	178.4	-58.6	-175	-177.6	-177.1	0.9	113.7	V123	R121-V123 PolarHBondContact O-N 3.46Å
122	K	94.9	Very high	92.8	Very high	34 Å²	34	49.9 Å²	49.9	15%	0.148	26%	0.262	C	S	.	.			trans	-72.4	116.7	-179.8	-68.4	179.1	177.5	176.6	0	109.2	Y104 C115 F134 C146 D148	Y104-K122 HydrophobicContact CD1-CD 4.46Å; Y104-K122 HydrophobicContact CD1-CG 4.44Å; Y104-K122 HydrophobicContact CD2-CG 4.13Å; Y104-K122 HydrophobicContact CE1-CD 4.29Å; Y104-K122 HydrophobicContact CE2-CG 4.28Å; Y104-K122 HydrophobicContact CG-CG 4.21Å; C115-K122 PolarHBondContact N-O 2.9Å; K122-F134 HydrophobicContact CB-CZ 4.06Å; K122-C146 HydrophobicContact CD-CB 3.73Å; K122-D148 IonicContact NZ-OD1 2.6Å; K122-D148 IonicContact NZ-OD2 3.55Å; K122-D148 PolarHBondContact NZ-OD2 3.46Å
123	V	94.3	Very high	93	Very high	23 Å²	23	52.9 Å²	52.9	14%	0.139	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.8	174.8	-172.7	0	0	0	0	108.8	M101 C103 Y104 A111 V113 R121	M101-V123 HydrophobicContact CE-CB 4.45Å; M101-V123 HydrophobicContact CE-CG1 4.39Å; M101-V123 HydrophobicContact CE-CG2 3.91Å; C103-V123 CarbonylContact C-O 3.51Å; C103-V123 WeakPolarHBondContact CA-O 3.44Å; Y104-V123 WeakPolarHBondContact CB-O 3.44Å; Y104-V123 PolarHBondContact N-O 3.34Å; A111-V123 HydrophobicContact CB-CG1 3.82Å; V113-V123 CarbonylContact O-C 3.6Å; V113-V123 VanDerWaalsContact O-CA 3.25Å; V113-V123 WeakPolarHBondContact O-CA 3.36Å; V113-V123 WeakPolarHBondContact O-CG1 3.41Å; R121-V123 PolarHBondContact O-N 3.46Å
124	V	95.7	Very high	93.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	159.6	-174.3	-65.8	0	0	0	0	111.4	C112 V113 C128 L132 F134	C112-V124 PolarHBondContact N-O 2.94Å; V113-V124 HydrophobicContact CB-CG2 4.13Å; V113-V124 WeakPolarHBondContact CB-O 3.31Å; V113-V124 HydrophobicContact CG1-CG2 4.45Å; V113-V124 PolarHBondContact N-O 2.99Å; V113-V124 PolarHBondContact O-N 3.15Å; V124-C128 HydrophobicContact CB-CB 4.32Å; V124-L132 HydrophobicContact CG1-CD1 3.94Å; V124-F134 HydrophobicContact CG1-CE1 4.48Å; V124-F134 HydrophobicContact CG1-CE2 4.1Å; V124-F134 HydrophobicContact CG1-CZ 3.89Å; V124-F134 HydrophobicContact CG2-CD1 3.94Å; V124-F134 HydrophobicContact CG2-CE1 3.76Å; V124-F134 HydrophobicContact CG2-CE2 4.38Å; V124-F134 HydrophobicContact CG2-CG 4.32Å; V124-F134 HydrophobicContact CG2-CZ 4Å
125	H	95.1	Very high	93.2	Very high	9 Å²	9	52.9 Å²	52.9	4%	0.042	27%	0.273	C	S	.	.			trans	-68.6	146.3	157.3	-54.7	107.6	0	0	0	108.4	C39 C103 C106 K109 G110 C128 G129	C39-H125 HydrophobicContact CB-CB 4.36Å; C103-H125 WeakPolarHBondContact CB-ND1 3.47Å; C106-H125 PolarHBondContact SG-CE1 3.25Å; C106-H125 PolarHBondContact SG-ND1 2.77Å; C106-H125 VanDerWaalsContact SG-ND1 3.38Å; K109-H125 PolarHBondContact O-NE2 2.75Å; G110-H125 VanDerWaalsContact C-CD2 3.44Å; G110-H125 VanDerWaalsContact C-NE2 3.29Å; G110-H125 PolarHBondContact O-CD2 3.47Å; G110-H125 PolarHBondContact O-NE2 3.34Å; H125-C128 HydrophobicContact CB-CB 4.15Å; H125-C128 CarbonylContact O-C 3.58Å; H125-C128 WeakPolarHBondContact O-CA 3.46Å; H125-C128 WeakPolarHBondContact O-CB 3.4Å; H125-C128 PolarHBondContact O-N 3Å; H125-G129 PolarHBondContact O-N 3.22Å
126	F	93.3	Very high	93.1	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-51.1	-47.6	178.3	177.6	-93.9	0	0	0	113.8	L48 F49 F65 T69 V113 C128 G129 R130	L48-F126 WeakPolarHBondContact O-CE1 3.44Å; F49-F126 HydrophobicContact CD1-CD1 4.16Å; F49-F126 HydrophobicContact CD1-CE1 4.1Å; F65-F126 HydrophobicContact CB-CD1 4.28Å; F65-F126 HydrophobicContact CB-CD2 4.34Å; F65-F126 HydrophobicContact CB-CE1 3.76Å; F65-F126 HydrophobicContact CB-CE2 3.81Å; F65-F126 HydrophobicContact CB-CZ 3.5Å; F65-F126 VanDerWaalsContact CB-CZ 3.5Å; F65-F126 HydrophobicContact CD2-CE1 4.01Å; F65-F126 AromaticContact CD2-CZ 3.66Å; F65-F126 HydrophobicContact CD2-CZ 3.66Å; F65-F126 HydrophobicContact CG-CE1 4.42Å; F65-F126 HydrophobicContact CG-CZ 4.01Å; T69-F126 HydrophobicContact CG2-CD2 3.87Å; T69-F126 HydrophobicContact CG2-CE2 3.85Å; T69-F126 WeakPolarHBondContact OG1-CD2 3.36Å; V113-F126 HydrophobicContact CG2-CB 3.89Å; V113-F126 HydrophobicContact CG2-CD2 4.49Å; F126-C128 VanDerWaalsContact C-N 3.29Å; F126-C128 PolarHBondContact O-N 3.49Å; F126-G129 WeakPolarHBondContact O-CA 3.45Å; F126-G129 PolarHBondContact O-N 3.21Å; F126-G129 VanDerWaalsContact O-N 3.08Å; F126-R130 HydrophobicContact CE1-CG 4.38Å; F126-R130 HydrophobicContact CZ-CG 4.42Å; F126-R130 PolarHBondContact O-N 3.34Å; F126-R130 VanDerWaalsContact O-N 3.1Å
127	P	93.1	Very high	93.1	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-29.9	174.7	-21.8	33.6	0	0	0	114.1	C39 C41 F49 K131	C39-P127 VanDerWaalsContact CB-CD 3.41Å; C39-P127 HydrophobicContact CB-CG 3.7Å; C41-P127 HydrophobicContact CB-CG 4.19Å; F49-P127 HydrophobicContact CD1-CG 4.23Å; F49-P127 HydrophobicContact CE1-CB 3.93Å; F49-P127 HydrophobicContact CE1-CG 3.82Å; P127-K131 WeakPolarHBondContact O-CG 3.39Å; P127-K131 PolarHBondContact O-N 3.36Å
128	C	94.4	Very high	92.8	Very high	23 Å²	23	49 Å²	49	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-73.1	-35.8	174.3	-68.4	0	0	0	0	111.1	V124 H125 F126 K131 L132	V124-C128 HydrophobicContact CB-CB 4.32Å; H125-C128 HydrophobicContact CB-CB 4.15Å; H125-C128 CarbonylContact O-C 3.58Å; H125-C128 WeakPolarHBondContact O-CA 3.46Å; H125-C128 WeakPolarHBondContact O-CB 3.4Å; H125-C128 PolarHBondContact O-N 3Å; F126-C128 VanDerWaalsContact C-N 3.29Å; F126-C128 PolarHBondContact O-N 3.49Å; C128-K131 PolarHBondContact O-N 3.46Å; C128-L132 WeakPolarHBondContact O-CB 3.26Å; C128-L132 WeakPolarHBondContact O-CG 3.38Å; C128-L132 PolarHBondContact O-N 2.98Å
129	G	93.3	Very high	92.2	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-49.8	173.1	0	0	0	0	0	111.4	H125 F126 K131 L132 M133 F134	H125-G129 PolarHBondContact O-N 3.22Å; F126-G129 WeakPolarHBondContact O-CA 3.45Å; F126-G129 PolarHBondContact O-N 3.21Å; F126-G129 VanDerWaalsContact O-N 3.08Å; G129-K131 VanDerWaalsContact C-N 3.31Å; G129-K131 PolarHBondContact O-N 3.21Å; G129-L132 CarbonylContact O-C 3.54Å; G129-L132 VanDerWaalsContact O-C 3.23Å; G129-L132 WeakPolarHBondContact O-CA 3.43Å; G129-L132 PolarHBondContact O-N 2.82Å; G129-M133 PolarHBondContact O-N 3.38Å; G129-F134 WeakPolarHBondContact O-CB 3.35Å; G129-F134 PolarHBondContact O-N 3.4Å
130	R	91	Very high	91.4	Very high	56 Å²	56	49.4 Å²	49.4	21%	0.211	23%	0.226	C	C	.	.	H	α-helix	trans	-56	-42.8	175.4	-66	-167.2	71.6	-126.1	-5.2	112.7	F126 L132 M133 D196	F126-R130 HydrophobicContact CE1-CG 4.38Å; F126-R130 HydrophobicContact CZ-CG 4.42Å; F126-R130 PolarHBondContact O-N 3.34Å; F126-R130 VanDerWaalsContact O-N 3.1Å; R130-L132 VanDerWaalsContact C-N 3.28Å; R130-L132 PolarHBondContact O-N 3.27Å; R130-M133 PolarHBondContact O-N 2.91Å; R130-D196 IonicContact NH2-OD1 3.12Å; R130-D196 PolarHBondContact NH2-OD1 3.23Å
131	K	91.8	Very high	90.5	Very high	171 Å²	171	54.9 Å²	54.9	74%	0.743	25%	0.253	S	S	*	.	H	α-helix	trans	-67.8	-27.2	176.7	-69.2	176.5	-175.6	179.6	0	113.4	P127 C128 G129 M133	P127-K131 WeakPolarHBondContact O-CG 3.39Å; P127-K131 PolarHBondContact O-N 3.36Å; C128-K131 PolarHBondContact O-N 3.46Å; G129-K131 VanDerWaalsContact C-N 3.31Å; G129-K131 PolarHBondContact O-N 3.21Å; K131-M133 VanDerWaalsContact C-N 3.32Å
132	L	93.8	Very high	90.3	Very high	59 Å²	59	46 Å²	46	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	16.2	175.6	-68	174.6	0	0	0	112.3	Y104 V124 C128 G129 R130 F134	Y104-L132 HydrophobicContact CD1-CD1 4.02Å; V124-L132 HydrophobicContact CG1-CD1 3.94Å; C128-L132 WeakPolarHBondContact O-CB 3.26Å; C128-L132 WeakPolarHBondContact O-CG 3.38Å; C128-L132 PolarHBondContact O-N 2.98Å; G129-L132 CarbonylContact O-C 3.54Å; G129-L132 VanDerWaalsContact O-C 3.23Å; G129-L132 WeakPolarHBondContact O-CA 3.43Å; G129-L132 PolarHBondContact O-N 2.82Å; R130-L132 VanDerWaalsContact C-N 3.28Å; R130-L132 PolarHBondContact O-N 3.27Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 HydrophobicContact CB-CD2 4.04Å; L132-F134 HydrophobicContact CB-CE2 4.2Å; L132-F134 PolarHBondContact O-N 3.13Å
133	M	94.4	Very high	90	Very high	63 Å²	63	44.9 Å²	44.9	31%	0.31	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	36.3	176.8	-47.1	-45.9	-167.8	0	0	114.1	G129 R130 K131 Y180	G129-M133 PolarHBondContact O-N 3.38Å; R130-M133 PolarHBondContact O-N 2.91Å; K131-M133 VanDerWaalsContact C-N 3.32Å; M133-Y180 HydrophobicContact CB-CD1 4.3Å; M133-Y180 HydrophobicContact CB-CD2 3.72Å; M133-Y180 HydrophobicContact CB-CE2 4.26Å; M133-Y180 HydrophobicContact CB-CG 3.72Å; M133-Y180 HydrophobicContact CE-CD1 4.06Å; M133-Y180 HydrophobicContact CG-CD1 4.13Å; M133-Y180 HydrophobicContact CG-CD2 4.43Å; M133-Y180 HydrophobicContact CG-CG 3.96Å; M133-Y180 HydrophobicContact SD-CD1 3.11Å; M133-Y180 WeakPolarHBondContact SD-CD1 3.44Å; M133-Y180 HydrophobicContact SD-CD2 4.24Å; M133-Y180 HydrophobicContact SD-CE1 3.39Å; M133-Y180 WeakPolarHBondContact SD-CE1 3.25Å; M133-Y180 HydrophobicContact SD-CE2 4.46Å; M133-Y180 HydrophobicContact SD-CG 3.56Å; M133-Y180 VanDerWaalsContact SD-CG 3.56Å
134	F	94.4	Very high	90	Very high	13 Å²	13	44 Å²	44	6%	0.057	21%	0.212	C	C	.	.			trans	-67.5	139.5	169	-85.1	-128.6	0	0	0	109.9	K122 V124 G129 L132 Y145 C146 Y180	K122-F134 HydrophobicContact CB-CZ 4.06Å; V124-F134 HydrophobicContact CG1-CE1 4.48Å; V124-F134 HydrophobicContact CG1-CE2 4.1Å; V124-F134 HydrophobicContact CG1-CZ 3.89Å; V124-F134 HydrophobicContact CG2-CD1 3.94Å; V124-F134 HydrophobicContact CG2-CE1 3.76Å; V124-F134 HydrophobicContact CG2-CE2 4.38Å; V124-F134 HydrophobicContact CG2-CG 4.32Å; V124-F134 HydrophobicContact CG2-CZ 4Å; G129-F134 WeakPolarHBondContact O-CB 3.35Å; G129-F134 PolarHBondContact O-N 3.4Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 HydrophobicContact CB-CD2 4.04Å; L132-F134 HydrophobicContact CB-CE2 4.2Å; L132-F134 PolarHBondContact O-N 3.13Å; F134-Y145 CarbonylContact C-O 3.53Å; F134-Y145 WeakPolarHBondContact CA-O 3.35Å; F134-Y145 WeakPolarHBondContact CB-O 3.38Å; F134-C146 HydrophobicContact CD1-CB 4.44Å; F134-C146 HydrophobicContact CD2-CB 4.2Å; F134-C146 HydrophobicContact CE1-CB 3.86Å; F134-C146 HydrophobicContact CE2-CB 3.57Å; F134-C146 HydrophobicContact CZ-CB 3.38Å; F134-Y180 WeakPolarHBondContact O-CE2 3.24Å
135	I	94.9	Very high	90	Very high	3 Å²	3	46 Å²	46	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.2	172.4	-64.6	-169.4	0	0	0	108.4	Q137 S144 Y145 P151 Y180 M228	I135-Q137 HydrophobicContact CG2-CG 4.47Å; I135-S144 CarbonylContact O-C 3.58Å; I135-S144 WeakPolarHBondContact O-CA 3.13Å; I135-Y145 PolarHBondContact N-O 3.47Å; I135-Y145 PolarHBondContact O-N 3.26Å; I135-P151 HydrophobicContact CD1-CG 4.2Å; I135-P151 WeakPolarHBondContact CD1-O 3.14Å; I135-P151 HydrophobicContact CG2-CG 4.01Å; I135-Y180 HydrophobicContact CG1-CD2 4.21Å; I135-Y180 HydrophobicContact CG1-CE2 4.39Å; I135-M228 HydrophobicContact CD1-CE 3.9Å
136	T	92.3	Very high	90	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122	170.6	-58.3	0	0	0	0	108.4	T69 Y138 P143 S144 G229	T69-T136 HydrophobicContact CG2-CG2 3.24Å; T136-Y138 HydrophobicContact CG2-CD1 4.5Å; T136-Y138 HydrophobicContact CG2-CE1 4.18Å; T136-P143 WeakPolarHBondContact CA-O 3.21Å; T136-S144 WeakPolarHBondContact CG2-OG 3.47Å; T136-S144 PolarHBondContact OG1-OG 3.37Å; T136-G229 WeakPolarHBondContact O-CA 3.34Å
137	Q	91.7	Very high	90	Very high	26 Å²	26	51.3 Å²	51.3	12%	0.121	25%	0.245	C	C	.	.			trans	-88.5	129.6	173.3	-61.9	179	-40.3	0	0	108.5	I135 N139 F142 P143 Y145 R227	I135-Q137 HydrophobicContact CG2-CG 4.47Å; Q137-N139 VanDerWaalsContact CB-OD1 3.3Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.49Å; Q137-N139 PolarHBondContact O-N 3.37Å; Q137-F142 CarbonylContact O-C 3.27Å; Q137-F142 VanDerWaalsContact O-CA 3.27Å; Q137-F142 WeakPolarHBondContact O-CA 3.44Å; Q137-P143 HydrophobicContact CB-CG 4.18Å; Q137-P143 PolarHBondContact N-O 3.16Å; Q137-Y145 HydrophobicContact CG-CE2 4.29Å; Q137-R227 WeakPolarHBondContact CG-O 3.38Å; Q137-R227 PolarHBondContact NE2-O 2.99Å
138	Y	86	Confident	90	Very high	34 Å²	34	55.8 Å²	55.8	13%	0.133	27%	0.268	C	S	.	.			trans	-92.9	49.8	-176.2	-63.6	-84.6	0	0	0	111.9	F65 L68 T136 F142 Y231	F65-Y138 AromaticContact CD1-CE1 3.96Å; F65-Y138 HydrophobicContact CD1-CE1 3.96Å; F65-Y138 HydrophobicContact CE1-CE1 4.19Å; F65-Y138 HydrophobicContact CG-CE1 4.26Å; L68-Y138 HydrophobicContact CD2-CD1 3.61Å; L68-Y138 HydrophobicContact CD2-CE1 3.92Å; T136-Y138 HydrophobicContact CG2-CD1 4.5Å; T136-Y138 HydrophobicContact CG2-CE1 4.18Å; Y138-F142 HydrophobicContact CD1-CD1 4.27Å; Y138-Y231 AromaticContact CD1-CD2 3.61Å; Y138-Y231 HydrophobicContact CD1-CD2 3.61Å; Y138-Y231 HydrophobicContact CD1-CE2 4.34Å; Y138-Y231 HydrophobicContact CD1-CG 4.36Å; Y138-Y231 HydrophobicContact CD2-CD2 4.08Å; Y138-Y231 HydrophobicContact CD2-CG 4.35Å; Y138-Y231 HydrophobicContact CE1-CD2 4.13Å; Y138-Y231 HydrophobicContact CE1-CG 4.5Å; Y138-Y231 AromaticContact CG-CD2 3.56Å; Y138-Y231 HydrophobicContact CG-CD2 3.56Å; Y138-Y231 HydrophobicContact CG-CG 4.27Å
139	N	75.3	Confident	90	Very high	63 Å²	63	58.2 Å²	58.2	34%	0.337	28%	0.277	S	S	.	.	S	Bend	trans	-131.7	158.9	176.2	61.4	-7	0	0	0	109.8	Q137 I141 F142 P143	Q137-N139 VanDerWaalsContact CB-OD1 3.3Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.49Å; Q137-N139 PolarHBondContact O-N 3.37Å; N139-I141 PolarHBondContact O-N 3.4Å; N139-I141 VanDerWaalsContact O-N 3.12Å; N139-F142 PolarHBondContact O-N 3Å; N139-P143 WeakPolarHBondContact O-CD 3.15Å
140	E	74.2	Confident	90	Very high	170 Å²	170	59.4 Å²	59.4	79%	0.794	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	-113.4	176.4	-54.8	-179	173.2	0	0	113.7
141	I	76.1	Confident	90.1	Very high	138 Å²	138	57.8 Å²	57.8	71%	0.708	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	24.4	-178.4	-39.3	171.9	0	0	0	110.8	N139	N139-I141 PolarHBondContact O-N 3.4Å; N139-I141 VanDerWaalsContact O-N 3.12Å
142	F	85.7	Confident	90.1	Very high	47 Å²	47	54.8 Å²	54.8	21%	0.206	28%	0.278	C	S	.	.			trans	54	51.9	176.2	-49	-75.5	0	0	0	114.6	L68 Q137 Y138 N139 S144	L68-F142 HydrophobicContact CD1-CD1 3.97Å; L68-F142 HydrophobicContact CD1-CD2 3.71Å; L68-F142 HydrophobicContact CD1-CE1 3.63Å; L68-F142 HydrophobicContact CD1-CE2 3.33Å; L68-F142 HydrophobicContact CD1-CG 4.03Å; L68-F142 HydrophobicContact CD1-CZ 3.3Å; L68-F142 HydrophobicContact CD2-CD1 3.72Å; L68-F142 HydrophobicContact CD2-CE1 3.69Å; L68-F142 HydrophobicContact CD2-CG 4.33Å; L68-F142 HydrophobicContact CD2-CZ 4.26Å; L68-F142 HydrophobicContact CG-CB 4.4Å; L68-F142 HydrophobicContact CG-CD1 3.49Å; L68-F142 VanDerWaalsContact CG-CD1 3.49Å; L68-F142 HydrophobicContact CG-CD2 3.78Å; L68-F142 HydrophobicContact CG-CE1 3.63Å; L68-F142 HydrophobicContact CG-CE2 3.9Å; L68-F142 HydrophobicContact CG-CG 3.6Å; L68-F142 HydrophobicContact CG-CZ 3.84Å; L68-F142 VanDerWaalsContact O-CB 3.3Å; L68-F142 WeakPolarHBondContact O-CB 3.49Å; L68-F142 WeakPolarHBondContact O-CD2 3.41Å; Q137-F142 CarbonylContact O-C 3.27Å; Q137-F142 VanDerWaalsContact O-CA 3.27Å; Q137-F142 WeakPolarHBondContact O-CA 3.44Å; Y138-F142 HydrophobicContact CD1-CD1 4.27Å; N139-F142 PolarHBondContact O-N 3Å; F142-S144 PolarHBondContact O-N 2.92Å
143	P	90.3	Very high	89.9	Confident	12 Å²	12	52.9 Å²	52.9	8%	0.078	27%	0.267	C	S	.	.			trans	-64	135.3	-172.5	28.7	-34.7	0	0	0	111	N116 T136 Q137 N139 Y145	N116-P143 HydrophobicContact CB-CB 3.85Å; N116-P143 WeakPolarHBondContact ND2-CB 3.19Å; T136-P143 WeakPolarHBondContact CA-O 3.21Å; Q137-P143 HydrophobicContact CB-CG 4.18Å; Q137-P143 PolarHBondContact N-O 3.16Å; N139-P143 WeakPolarHBondContact O-CD 3.15Å; P143-Y145 HydrophobicContact CB-CE2 3.83Å; P143-Y145 HydrophobicContact CG-CE2 4.04Å
144	S	93.5	Very high	89.3	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136	177.4	-70.8	0	0	0	0	110.9	V113 G114 C115 N116 I135 T136 F142	V113-S144 WeakPolarHBondContact CG1-OG 3.49Å; G114-S144 WeakPolarHBondContact O-CB 3.39Å; C115-S144 CarbonylContact C-O 3.33Å; C115-S144 WeakPolarHBondContact CA-O 3.48Å; N116-S144 PolarHBondContact N-O 3.47Å; I135-S144 CarbonylContact O-C 3.58Å; I135-S144 WeakPolarHBondContact O-CA 3.13Å; T136-S144 WeakPolarHBondContact CG2-OG 3.47Å; T136-S144 PolarHBondContact OG1-OG 3.37Å; F142-S144 PolarHBondContact O-N 2.92Å
145	Y	95.3	Very high	88.4	Confident	42 Å²	42	58.7 Å²	58.7	17%	0.165	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.8	-177.7	-59.5	-85.9	0	0	0	109.9	N116 V117 F134 I135 Q137 P143 H149	N116-Y145 HydrophobicContact CB-CD1 4.3Å; N116-Y145 HydrophobicContact CB-CE1 3.84Å; N116-Y145 PolarHBondContact ND2-OH 3.37Å; V117-Y145 HydrophobicContact CG2-CD1 4.42Å; F134-Y145 CarbonylContact C-O 3.53Å; F134-Y145 WeakPolarHBondContact CA-O 3.35Å; F134-Y145 WeakPolarHBondContact CB-O 3.38Å; I135-Y145 PolarHBondContact N-O 3.47Å; I135-Y145 PolarHBondContact O-N 3.26Å; Q137-Y145 HydrophobicContact CG-CE2 4.29Å; P143-Y145 HydrophobicContact CB-CE2 3.83Å; P143-Y145 HydrophobicContact CG-CE2 4.04Å; Y145-H149 HydrophobicContact CD1-CB 4.36Å; Y145-H149 WeakPolarHBondContact CD1-O 3.47Å
146	C	95.3	Very high	86.6	Confident	1 Å²	1	63 Å²	63	1%	0.007	34%	0.337	C	S	.	.			trans	-69.4	163.9	169.4	67.5	0	0	0	0	110.4	C115 K122 F134 D148 H149 S150	C115-C146 HydrophobicContact CB-CB 4.46Å; K122-C146 HydrophobicContact CD-CB 3.73Å; F134-C146 HydrophobicContact CD1-CB 4.44Å; F134-C146 HydrophobicContact CD2-CB 4.2Å; F134-C146 HydrophobicContact CE1-CB 3.86Å; F134-C146 HydrophobicContact CE2-CB 3.57Å; F134-C146 HydrophobicContact CZ-CB 3.38Å; C146-D148 PolarHBondContact O-N 2.97Å; C146-H149 CarbonylContact O-C 3.51Å; C146-H149 PolarHBondContact O-N 2.89Å; C146-H149 PolarHBondContact SG-ND1 3.5Å; C146-H149 VanDerWaalsContact SG-ND1 3.38Å; C146-S150 WeakPolarHBondContact O-CB 3.29Å; C146-S150 PolarHBondContact O-N 3.4Å
147	Q	93.9	Very high	84.7	Confident	128 Å²	128	67.3 Å²	67.3	60%	0.598	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-36.9	179	-172.3	178.5	8.3	0	0	114.6	H149 S150	Q147-H149 VanDerWaalsContact C-N 3.27Å; Q147-H149 PolarHBondContact O-N 3.19Å; Q147-S150 PolarHBondContact O-OG 3.42Å; Q147-S150 VanDerWaalsContact O-OG 3.09Å
148	D	93.1	Very high	82.5	Confident	108 Å²	108	72.6 Å²	72.6	58%	0.578	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.1	-179.8	-49.3	-23.6	0	0	0	113.8	K122 C146	K122-D148 IonicContact NZ-OD1 2.6Å; K122-D148 IonicContact NZ-OD2 3.55Å; K122-D148 PolarHBondContact NZ-OD2 3.46Å; C146-D148 PolarHBondContact O-N 2.97Å
149	H	94.3	Very high	80.7	Confident	74 Å²	74	76.7 Å²	76.7	34%	0.343	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	3.2	-174.6	-61.9	141.3	0	0	0	112.5	V117 Y145 C146 Q147	V117-H149 HydrophobicContact CG2-CB 3.73Å; Y145-H149 HydrophobicContact CD1-CB 4.36Å; Y145-H149 WeakPolarHBondContact CD1-O 3.47Å; C146-H149 CarbonylContact O-C 3.51Å; C146-H149 PolarHBondContact O-N 2.89Å; C146-H149 PolarHBondContact SG-ND1 3.5Å; C146-H149 VanDerWaalsContact SG-ND1 3.38Å; Q147-H149 VanDerWaalsContact C-N 3.27Å; Q147-H149 PolarHBondContact O-N 3.19Å
150	S	92.6	Very high	79.5	Confident	26 Å²	26	80.9 Å²	80.9	18%	0.182	45%	0.448	C	S	.	.			trans	-78.2	147.4	-176.4	58.7	0	0	0	0	111.1	C146 Q147	C146-S150 WeakPolarHBondContact O-CB 3.29Å; C146-S150 PolarHBondContact O-N 3.4Å; Q147-S150 PolarHBondContact O-OG 3.42Å; Q147-S150 VanDerWaalsContact O-OG 3.09Å
151	P	93.6	Very high	78.7	Confident	23 Å²	23	81 Å²	81	15%	0.149	45%	0.446	C	S	.	.			trans	-63.2	151	173	27.2	-34	0	0	0	111.2	I135 R227 M228	I135-P151 HydrophobicContact CD1-CG 4.2Å; I135-P151 WeakPolarHBondContact CD1-O 3.14Å; I135-P151 HydrophobicContact CG2-CG 4.01Å; P151-R227 HydrophobicContact CB-CG 4.48Å; P151-R227 VanDerWaalsContact CG-O 3.25Å; P151-R227 WeakPolarHBondContact CG-O 3.4Å; P151-M228 HydrophobicContact CB-SD 4.33Å; P151-M228 HydrophobicContact CG-SD 4.43Å
152	T	90.6	Very high	78.3	Confident	107 Å²	107	80.2 Å²	80.2	66%	0.656	45%	0.453	S	S	*	.			trans	-124.7	152	173.3	56.4	0	0	0	0	110.1	R227	T152-R227 PolarHBondContact O-NH2 2.99Å
153	Q	90.9	Very high	77.8	Confident	20 Å²	20	81.5 Å²	81.5	9%	0.093	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-81.1	145.8	168.7	-55.8	-160.5	-85.1	0	0	109.4	L178 L183 K184 E224 M228	Q153-L178 HydrophobicContact CB-CD1 3.84Å; Q153-L178 HydrophobicContact CB-CD2 4.12Å; Q153-L178 WeakPolarHBondContact O-CD1 3.48Å; Q153-L183 VanDerWaalsContact OE1-CA 3.24Å; Q153-K184 PolarHBondContact NE2-O 3.24Å; Q153-E224 WeakPolarHBondContact CG-OE1 3.02Å; Q153-E224 VanDerWaalsContact NE2-CG 3.32Å; Q153-E224 PolarHBondContact NE2-OE1 2.84Å; Q153-E224 VanDerWaalsContact NE2-OE1 3.11Å; Q153-M228 HydrophobicContact CG-CE 3.91Å; Q153-M228 HydrophobicContact CG-CG 3.73Å; Q153-M228 HydrophobicContact CG-SD 3.63Å
154	S	82.4	Confident	77.3	Confident	97 Å²	97	82.8 Å²	82.8	68%	0.678	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-102.7	143.7	171	49.7	0	0	0	0	110.6	K184	S154-K184 WeakPolarHBondContact O-CE 3.37Å; S154-K184 PolarHBondContact O-NZ 3.35Å
155	L	73.8	Confident	76.9	Confident	100 Å²	100	88.4 Å²	88.4	52%	0.524	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-80.5	119.5	165.1	-65.8	176.6	0	0	0	107.8	L178 K184 W192	L155-L178 HydrophobicContact CD2-CD1 3.56Å; L155-L178 HydrophobicContact CD2-CG 4.04Å; L155-L178 HydrophobicContact CG-CD1 3.66Å; L155-L178 HydrophobicContact CG-CG 4.39Å; L155-K184 HydrophobicContact CD2-CD 3.82Å; L155-W192 HydrophobicContact CD2-CH2 3.9Å; L155-W192 HydrophobicContact CD2-CZ2 4.16Å
156	C	58.3	Low	76.7	Confident	94 Å²	94	88.9 Å²	88.9	64%	0.635	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-91.2	128.5	160.7	-132.6	0	0	0	0	105.9
157	V	52.6	Low	76.7	Confident	100 Å²	100	88.9 Å²	88.9	61%	0.606	51%	0.505	S	S	*	.	S	Bend	trans	104.3	139	166.1	-163	0	0	0	0	117.7
158	D	44.3	Very low	76.7	Confident	138 Å²	138	83.8 Å²	83.8	74%	0.738	48%	0.484	S	S	*	.			trans	-50.1	161.5	179.3	-71.4	-56.2	0	0	0	117.5	D160	D158-D160 VanDerWaalsContact C-N 3.3Å; D158-D160 PolarHBondContact O-N 3.07Å
159	S	48.3	Very low	76.7	Confident	119 Å²	119	81.2 Å²	81.2	83%	0.832	47%	0.47	S	S	*	.	S	Bend	trans	-68.7	12.9	-160.3	-37.6	0	0	0	0	118.6
160	D	49.7	Very low	76.7	Confident	151 Å²	151	79.7 Å²	79.7	81%	0.807	47%	0.467	S	S	*	.			trans	-110	9.1	-162.5	-77.6	-16.5	0	0	0	116.8	D158	D158-D160 VanDerWaalsContact C-N 3.3Å; D158-D160 PolarHBondContact O-N 3.07Å
161	F	58.1	Low	76.6	Confident	172 Å²	172	84.8 Å²	84.8	75%	0.754	49%	0.491	S	S	*	.	S	Bend	trans	-117.5	134.7	176.7	-65.8	-80.3	0	0	0	113.7	L163	F161-L163 PolarHBondContact O-N 3.31Å
162	S	67.4	Low	76.6	Confident	123 Å²	123	88.7 Å²	88.7	86%	0.86	51%	0.511	S	S	*	.			trans	-64.3	113.1	170.4	59.1	0	0	0	0	110.3
163	L	76.1	Confident	76.7	Confident	74 Å²	74	88.8 Å²	88.8	39%	0.387	52%	0.516	S	S	.	.			trans	-71.6	142.3	-179.2	-65.9	174.1	0	0	0	111.8	F161 Q165 P176 W192	F161-L163 PolarHBondContact O-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.39Å; L163-Q165 PolarHBondContact O-NE2 3Å; L163-Q165 VanDerWaalsContact O-NE2 3.12Å; L163-P176 HydrophobicContact CB-CB 3.79Å; L163-P176 HydrophobicContact CB-CG 3.53Å; L163-P176 HydrophobicContact CD1-CB 4.04Å; L163-P176 HydrophobicContact CD1-CG 4Å; L163-P176 HydrophobicContact CG-CG 4.43Å; L163-W192 HydrophobicContact CD1-CZ2 4.2Å; L163-W192 HydrophobicContact CD2-CZ2 4.02Å
164	P	78.9	Confident	76.8	Confident	39 Å²	39	88.2 Å²	88.2	25%	0.253	51%	0.513	S	S	.	.			trans	-53.7	134.1	174.2	-24.1	32.8	0	0	0	112.2	G190	P164-G190 WeakPolarHBondContact CG-O 3.35Å
165	Q	85.1	Confident	77.1	Confident	120 Å²	120	90.5 Å²	90.5	56%	0.561	51%	0.513	S	S	*	.			trans	-102.7	11.5	-179.1	-61	-63.4	-49.4	0	0	112.9	L163 S173 I174	L163-Q165 PolarHBondContact O-N 3.39Å; L163-Q165 PolarHBondContact O-NE2 3Å; L163-Q165 VanDerWaalsContact O-NE2 3.12Å; Q165-S173 VanDerWaalsContact O-CA 3.31Å; Q165-S173 WeakPolarHBondContact O-CA 3.1Å; Q165-I174 CarbonylContact C-O 3.54Å; Q165-I174 PolarHBondContact O-N 3.29Å
166	S	92.2	Very high	77.7	Confident	53 Å²	53	86.4 Å²	86.4	37%	0.371	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-132.7	147.6	177.7	59.9	0	0	0	0	112.1	D172 I174	S166-D172 CarbonylContact C-O 3.52Å; S166-D172 VanDerWaalsContact CA-O 3.29Å; S166-D172 WeakPolarHBondContact CA-O 3.42Å; S166-I174 VanDerWaalsContact C-CG2 3.45Å
167	C	94.6	Very high	79.2	Confident	0 Å²	0	86 Å²	86	0%	0	49%	0.487	C	S	.	.			trans	-70.3	128	174.4	174	0	0	0	0	110.2	I169 C170 L171 D172 I174 W192	C167-I169 PolarHBondContact O-N 3.01Å; C167-I169 PolarHBondContact SG-N 3.45Å; C167-C170 VanDerWaalsContact CB-SG 3.59Å; C167-L171 WeakPolarHBondContact O-CA 3.5Å; C167-L171 PolarHBondContact O-N 3.26Å; C167-D172 PolarHBondContact N-O 2.91Å; C167-I174 HydrophobicContact CB-CD1 4.44Å; C167-W192 CarbonylContact C-O 3.46Å; C167-W192 VanDerWaalsContact CA-O 3.28Å; C167-W192 WeakPolarHBondContact CA-O 3.4Å
168	S	92.6	Very high	81	Confident	21 Å²	21	83.2 Å²	83.2	15%	0.147	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	4.5	-178.4	-43	0	0	0	0	114.8	S191 W192 T213	S168-S191 WeakPolarHBondContact OG-CA 3.47Å; S168-W192 PolarHBondContact N-O 3.34Å; S168-W192 PolarHBondContact OG-N 3.46Å; S168-W192 PolarHBondContact OG-O 2.97Å; S168-T213 WeakPolarHBondContact CB-OG1 3.3Å; S168-T213 PolarHBondContact O-OG1 2.88Å
169	I	93.8	Very high	83.3	Confident	55 Å²	55	79.3 Å²	79.3	28%	0.282	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-58.6	175.8	-63.8	162.5	0	0	0	110.2	C167 F193 C197 V198 Q201 T213	C167-I169 PolarHBondContact O-N 3.01Å; C167-I169 PolarHBondContact SG-N 3.45Å; I169-F193 HydrophobicContact CD1-CB 4.33Å; I169-F193 HydrophobicContact CD1-CD1 3.51Å; I169-F193 HydrophobicContact CD1-CE1 4.07Å; I169-F193 HydrophobicContact CD1-CG 4.2Å; I169-F193 HydrophobicContact CG1-CD1 3.69Å; I169-F193 HydrophobicContact CG1-CE1 4Å; I169-C197 HydrophobicContact CB-CB 4Å; I169-C197 HydrophobicContact CD1-CB 4.01Å; I169-C197 HydrophobicContact CG2-CB 3.95Å; I169-V198 HydrophobicContact CD1-CB 4.43Å; I169-V198 HydrophobicContact CD1-CG2 3.92Å; I169-Q201 HydrophobicContact CD1-CB 4.2Å; I169-T213 HydrophobicContact CG1-CG2 4.12Å
170	C	93.8	Very high	85.4	Confident	42 Å²	42	75.4 Å²	75.4	28%	0.284	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.5	-177.3	69.3	0	0	0	0	114.5	C167 D172 H194 C197	C167-C170 VanDerWaalsContact CB-SG 3.59Å; C170-D172 PolarHBondContact O-N 2.95Å; C170-D172 PolarHBondContact SG-OD2 3.11Å; C170-D172 VanDerWaalsContact SG-OD2 3.32Å; C170-H194 PolarHBondContact SG-ND1 3.25Å; C170-C197 VanDerWaalsContact SG-SG 3.66Å
171	L	91.4	Very high	87.5	Confident	132 Å²	132	70.9 Å²	70.9	69%	0.691	40%	0.4	S	S	*	.			trans	63.6	0.2	-176.4	-49.5	177.5	0	0	0	115.3	C167	C167-L171 WeakPolarHBondContact O-CA 3.5Å; C167-L171 PolarHBondContact O-N 3.26Å
172	D	94.1	Very high	89.3	Confident	105 Å²	105	63.4 Å²	63.4	56%	0.561	37%	0.368	S	S	*	.			trans	-68.6	158.2	172.5	-61.9	-41.8	0	0	0	111.8	S166 C167 C170 I174	S166-D172 CarbonylContact C-O 3.52Å; S166-D172 VanDerWaalsContact CA-O 3.29Å; S166-D172 WeakPolarHBondContact CA-O 3.42Å; C167-D172 PolarHBondContact N-O 2.91Å; C170-D172 PolarHBondContact O-N 2.95Å; C170-D172 PolarHBondContact SG-OD2 3.11Å; C170-D172 VanDerWaalsContact SG-OD2 3.32Å; D172-I174 PolarHBondContact O-N 3.45Å
173	S	92	Very high	90.6	Very high	110 Å²	110	57.6 Å²	57.6	77%	0.769	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-57.8	135.7	177.8	-56.4	0	0	0	0	112.1	Q165 H194	Q165-S173 VanDerWaalsContact O-CA 3.31Å; Q165-S173 WeakPolarHBondContact O-CA 3.1Å; S173-H194 PolarHBondContact O-NE2 3.31Å
174	I	92.6	Very high	91.5	Very high	8 Å²	8	55 Å²	55	4%	0.041	31%	0.313	C	S	.	.			trans	-134.4	138.6	174.5	-160.3	167.6	0	0	0	109.2	Q165 S166 C167 D172 P176 V182 W192	Q165-I174 CarbonylContact C-O 3.54Å; Q165-I174 PolarHBondContact O-N 3.29Å; S166-I174 VanDerWaalsContact C-CG2 3.45Å; C167-I174 HydrophobicContact CB-CD1 4.44Å; D172-I174 PolarHBondContact O-N 3.45Å; I174-P176 WeakPolarHBondContact O-CD 3.44Å; I174-V182 HydrophobicContact CD1-CB 4.38Å; I174-V182 HydrophobicContact CD1-CG1 3.78Å; I174-V182 HydrophobicContact CD1-CG2 4.04Å; I174-V182 HydrophobicContact CG1-CG1 4.11Å; I174-V182 HydrophobicContact CG1-CG2 3.97Å; I174-W192 HydrophobicContact CG2-CB 4.22Å
175	E	89.2	Confident	92.1	Very high	144 Å²	144	53.1 Å²	53.1	67%	0.673	30%	0.301	S	S	*	.			trans	-83.5	117.4	168.5	-169.4	175.8	-174.8	0	0	107.5	V177	E175-V177 HydrophobicContact CG-CG2 3.94Å; E175-V177 PolarHBondContact O-N 3.36Å
176	P	86.4	Confident	92.4	Very high	15 Å²	15	50.2 Å²	50.2	10%	0.097	29%	0.292	C	S	.	.			trans	-78.4	57.4	-173.3	33.1	-36.3	0	0	0	111.6	L163 I174 W192	L163-P176 HydrophobicContact CB-CB 3.79Å; L163-P176 HydrophobicContact CB-CG 3.53Å; L163-P176 HydrophobicContact CD1-CB 4.04Å; L163-P176 HydrophobicContact CD1-CG 4Å; L163-P176 HydrophobicContact CG-CG 4.43Å; I174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-W192 VanDerWaalsContact CA-CZ3 3.46Å; P176-W192 HydrophobicContact CB-CD2 3.75Å; P176-W192 HydrophobicContact CB-CE3 3.74Å; P176-W192 HydrophobicContact CB-CG 4.4Å; P176-W192 HydrophobicContact CB-CH2 3.89Å; P176-W192 HydrophobicContact CB-CZ2 3.94Å; P176-W192 HydrophobicContact CB-CZ3 3.82Å; P176-W192 WeakPolarHBondContact O-CH2 3.31Å; P176-W192 VanDerWaalsContact O-CZ3 3.29Å; P176-W192 WeakPolarHBondContact O-CZ3 3.32Å
177	V	89.3	Confident	92.3	Very high	84 Å²	84	49.9 Å²	49.9	51%	0.509	29%	0.29	S	S	.	.			trans	-116.2	115.4	175.6	176.1	0	0	0	0	107.4	E175 S179 V182	E175-V177 HydrophobicContact CG-CG2 3.94Å; E175-V177 PolarHBondContact O-N 3.36Å; V177-S179 PolarHBondContact O-N 3.48Å; V177-V182 WeakPolarHBondContact O-CB 3.41Å; V177-V182 WeakPolarHBondContact O-CG1 3.37Å
178	L	91.8	Very high	91.9	Very high	42 Å²	42	51.1 Å²	51.1	22%	0.22	30%	0.298	C	S	.	.			trans	-57.8	127.4	-179.9	-67.6	174.7	0	0	0	110.6	Q153 L155 K184 W192	Q153-L178 HydrophobicContact CB-CD1 3.84Å; Q153-L178 HydrophobicContact CB-CD2 4.12Å; Q153-L178 WeakPolarHBondContact O-CD1 3.48Å; L155-L178 HydrophobicContact CD2-CD1 3.56Å; L155-L178 HydrophobicContact CD2-CG 4.04Å; L155-L178 HydrophobicContact CG-CD1 3.66Å; L155-L178 HydrophobicContact CG-CG 4.39Å; L178-K184 HydrophobicContact CD2-CB 4.04Å; L178-K184 HydrophobicContact CD2-CD 4.09Å; L178-K184 HydrophobicContact CD2-CG 3.81Å; L178-W192 HydrophobicContact CD2-CH2 4.2Å; L178-W192 HydrophobicContact CD2-CZ3 3.81Å; L178-W192 HydrophobicContact CG-CH2 4.21Å; L178-W192 HydrophobicContact CG-CZ3 4.11Å
179	S	92.4	Very high	91.4	Very high	56 Å²	56	56 Å²	56	39%	0.392	32%	0.318	S	S	.	.	S	Bend	trans	-155.9	-179.6	-179.4	66.1	0	0	0	0	109.8	V177 S181 V182	V177-S179 PolarHBondContact O-N 3.48Å; S179-S181 PolarHBondContact O-N 2.97Å; S179-S181 PolarHBondContact OG-N 2.98Å; S179-V182 PolarHBondContact N-O 3.39Å; S179-V182 VanDerWaalsContact N-O 3.14Å; S179-V182 PolarHBondContact O-N 3.49Å; S179-V182 PolarHBondContact OG-N 2.92Å
180	Y	92.5	Very high	90.8	Very high	38 Å²	38	54.9 Å²	54.9	15%	0.149	32%	0.321	C	S	.	.	S	Bend	trans	-54.3	-40.1	171.3	171.1	-90.6	0	0	0	111.8	M133 F134 I135 R195	M133-Y180 HydrophobicContact CB-CD1 4.3Å; M133-Y180 HydrophobicContact CB-CD2 3.72Å; M133-Y180 HydrophobicContact CB-CE2 4.26Å; M133-Y180 HydrophobicContact CB-CG 3.72Å; M133-Y180 HydrophobicContact CE-CD1 4.06Å; M133-Y180 HydrophobicContact CG-CD1 4.13Å; M133-Y180 HydrophobicContact CG-CD2 4.43Å; M133-Y180 HydrophobicContact CG-CG 3.96Å; M133-Y180 HydrophobicContact SD-CD1 3.11Å; M133-Y180 WeakPolarHBondContact SD-CD1 3.44Å; M133-Y180 HydrophobicContact SD-CD2 4.24Å; M133-Y180 HydrophobicContact SD-CE1 3.39Å; M133-Y180 WeakPolarHBondContact SD-CE1 3.25Å; M133-Y180 HydrophobicContact SD-CE2 4.46Å; M133-Y180 HydrophobicContact SD-CG 3.56Å; M133-Y180 VanDerWaalsContact SD-CG 3.56Å; F134-Y180 WeakPolarHBondContact O-CE2 3.24Å; I135-Y180 HydrophobicContact CG1-CD2 4.21Å; I135-Y180 HydrophobicContact CG1-CE2 4.39Å; Y180-R195 VanDerWaalsContact O-CD 3.27Å; Y180-R195 WeakPolarHBondContact O-CD 3.36Å; Y180-R195 PolarHBondContact O-NH1 2.92Å; Y180-R195 VanDerWaalsContact O-NH1 3.09Å
181	S	93.7	Very high	90.7	Very high	56 Å²	56	52.9 Å²	52.9	39%	0.392	31%	0.307	S	S	.	.	S	Bend	trans	-87.1	-17	-173.4	-55	0	0	0	0	113.7	S179 H194 R195	S179-S181 PolarHBondContact O-N 2.97Å; S179-S181 PolarHBondContact OG-N 2.98Å; S181-H194 CarbonylContact O-C 3.56Å; S181-H194 WeakPolarHBondContact O-CA 3.2Å; S181-R195 PolarHBondContact O-N 2.71Å
182	V	95.1	Very high	90.8	Very high	15 Å²	15	46.7 Å²	46.7	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.2	-174.7	176.6	0	0	0	0	109.5	I174 V177 S179 W192 F193	I174-V182 HydrophobicContact CD1-CB 4.38Å; I174-V182 HydrophobicContact CD1-CG1 3.78Å; I174-V182 HydrophobicContact CD1-CG2 4.04Å; I174-V182 HydrophobicContact CG1-CG1 4.11Å; I174-V182 HydrophobicContact CG1-CG2 3.97Å; V177-V182 WeakPolarHBondContact O-CB 3.41Å; V177-V182 WeakPolarHBondContact O-CG1 3.37Å; S179-V182 PolarHBondContact N-O 3.39Å; S179-V182 VanDerWaalsContact N-O 3.14Å; S179-V182 PolarHBondContact O-N 3.49Å; S179-V182 PolarHBondContact OG-N 2.92Å; V182-W192 HydrophobicContact CG1-CE3 3.77Å; V182-W192 HydrophobicContact CG1-CZ3 4.1Å; V182-F193 WeakPolarHBondContact CA-O 3.41Å
183	L	95.7	Very high	90.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157.3	-179.2	-58	179.1	0	0	0	110.6	Q153 F193 R195 M225 M228 I230	Q153-L183 VanDerWaalsContact OE1-CA 3.24Å; L183-F193 PolarHBondContact N-O 3.42Å; L183-F193 PolarHBondContact O-N 2.84Å; L183-R195 HydrophobicContact CD1-CB 4.44Å; L183-R195 HydrophobicContact CD1-CG 4.2Å; L183-M225 HydrophobicContact CB-SD 4.45Å; L183-M225 HydrophobicContact CD1-SD 3.93Å; L183-M228 HydrophobicContact CD1-CB 4.44Å; L183-M228 HydrophobicContact CD2-CB 4.11Å; L183-M228 HydrophobicContact CD2-CE 3.96Å; L183-M228 HydrophobicContact CD2-CG 4.28Å; L183-I230 HydrophobicContact CD1-CD1 4.05Å; L183-I230 HydrophobicContact CD1-CG1 4.11Å
184	K	93.9	Very high	91.1	Very high	19 Å²	19	38.9 Å²	38.9	8%	0.083	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158.2	172.2	78.7	171.7	-165.9	161.4	0	112.1	Q153 S154 L155 L178 S191 W192 M225	Q153-K184 PolarHBondContact NE2-O 3.24Å; S154-K184 WeakPolarHBondContact O-CE 3.37Å; S154-K184 PolarHBondContact O-NZ 3.35Å; L155-K184 HydrophobicContact CD2-CD 3.82Å; L178-K184 HydrophobicContact CD2-CB 4.04Å; L178-K184 HydrophobicContact CD2-CD 4.09Å; L178-K184 HydrophobicContact CD2-CG 3.81Å; K184-S191 WeakPolarHBondContact CA-O 3.28Å; K184-W192 HydrophobicContact CB-CD2 4.16Å; K184-W192 HydrophobicContact CB-CE3 4.25Å; K184-W192 HydrophobicContact CD-CZ2 4.42Å; K184-M225 WeakPolarHBondContact O-CE 3.35Å
185	C	92.6	Very high	91.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	22%	0.223	C	C	.	.			trans	-69.2	135.7	169	-176.6	0	0	0	0	110.4	S187 S191 F193 F221	C185-S187 VanDerWaalsContact C-N 3.29Å; C185-S187 PolarHBondContact SG-N 3.47Å; C185-S187 VanDerWaalsContact SG-N 3.38Å; C185-S191 PolarHBondContact N-O 3.32Å; C185-S191 VanDerWaalsContact N-O 3.1Å; C185-F193 HydrophobicContact CB-CE2 4.14Å; C185-F221 HydrophobicContact CB-CD2 4.28Å
186	P	91.6	Very high	91.4	Very high	59 Å²	59	35.8 Å²	35.8	38%	0.383	21%	0.21	S	C	.	.	S	Bend	trans	-72.3	-23.3	174.6	30	-35.9	0	0	0	113	N220 E224	P186-N220 HydrophobicContact CG-CB 4Å; P186-N220 WeakPolarHBondContact CG-O 3.38Å; P186-E224 HydrophobicContact CB-CB 4.29Å; P186-E224 HydrophobicContact CB-CG 4.26Å; P186-E224 HydrophobicContact CG-CB 3.75Å; P186-E224 HydrophobicContact CG-CG 4.13Å
187	S	88.4	Confident	91.8	Very high	46 Å²	46	36.4 Å²	36.4	32%	0.322	21%	0.214	S	C	.	.	S	Bend	trans	-101.2	-4	-169.9	-49	0	0	0	0	114.3	C185 N217 N220	C185-S187 VanDerWaalsContact C-N 3.29Å; C185-S187 PolarHBondContact SG-N 3.47Å; C185-S187 VanDerWaalsContact SG-N 3.38Å; S187-N217 VanDerWaalsContact OG-CG 3.31Å; S187-N217 PolarHBondContact OG-OD1 3.29Å; S187-N220 WeakPolarHBondContact OG-CB 3.45Å; S187-N220 PolarHBondContact OG-ND2 2.98Å
188	C	86.3	Confident	92.2	Very high	26 Å²	26	32.4 Å²	32.4	18%	0.176	19%	0.19	C	C	.	.			trans	-154	151.2	176.5	72	0	0	0	0	112.1	S191 C215	C188-S191 PolarHBondContact SG-OG 3.05Å; C188-C215 HydrophobicContact CB-CB 3.81Å
189	H	81.9	Confident	92.3	Very high	122 Å²	122	31 Å²	31	57%	0.565	18%	0.182	S	C	*	.	S	Bend	trans	-81.9	-20.9	-178	-62.3	-83	0	0	0	114.2	W192	H189-W192 PolarHBondContact O-NE1 2.97Å
190	G	82.3	Confident	92.3	Very high	32 Å²	32	32.1 Å²	32.1	33%	0.33	18%	0.181	S	C	.	.	S	Bend	trans	-81.7	-12.6	-173	0	0	0	0	0	115.4	P164 L214	P164-G190 WeakPolarHBondContact CG-O 3.35Å; G190-L214 VanDerWaalsContact O-CD1 3.31Å; G190-L214 WeakPolarHBondContact O-CD1 3.47Å
191	S	90.6	Very high	92.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.			trans	-105.2	114.4	-170.8	-61.2	0	0	0	0	113.2	S168 K184 C185 C188 F193 C212 L214	S168-S191 WeakPolarHBondContact OG-CA 3.47Å; K184-S191 WeakPolarHBondContact CA-O 3.28Å; C185-S191 PolarHBondContact N-O 3.32Å; C185-S191 VanDerWaalsContact N-O 3.1Å; C188-S191 PolarHBondContact SG-OG 3.05Å; S191-F193 VanDerWaalsContact CB-CZ 3.41Å; S191-C212 PolarHBondContact OG-SG 2.88Å; S191-L214 VanDerWaalsContact OG-CB 3.29Å; S191-L214 WeakPolarHBondContact OG-CB 3.36Å; S191-L214 VanDerWaalsContact OG-CD1 3.22Å; S191-L214 WeakPolarHBondContact OG-CD1 3.4Å; S191-L214 VanDerWaalsContact OG-CG 3.23Å; S191-L214 WeakPolarHBondContact OG-CG 3.43Å
192	W	94.2	Very high	92.5	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.011	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.9	177.8	-70.3	77	0	0	0	110	L155 L163 C167 S168 I174 P176 L178 V182 K184 H189	L155-W192 HydrophobicContact CD2-CH2 3.9Å; L155-W192 HydrophobicContact CD2-CZ2 4.16Å; L163-W192 HydrophobicContact CD1-CZ2 4.2Å; L163-W192 HydrophobicContact CD2-CZ2 4.02Å; C167-W192 CarbonylContact C-O 3.46Å; C167-W192 VanDerWaalsContact CA-O 3.28Å; C167-W192 WeakPolarHBondContact CA-O 3.4Å; S168-W192 PolarHBondContact N-O 3.34Å; S168-W192 PolarHBondContact OG-N 3.46Å; S168-W192 PolarHBondContact OG-O 2.97Å; I174-W192 HydrophobicContact CG2-CB 4.22Å; P176-W192 VanDerWaalsContact CA-CZ3 3.46Å; P176-W192 HydrophobicContact CB-CD2 3.75Å; P176-W192 HydrophobicContact CB-CE3 3.74Å; P176-W192 HydrophobicContact CB-CG 4.4Å; P176-W192 HydrophobicContact CB-CH2 3.89Å; P176-W192 HydrophobicContact CB-CZ2 3.94Å; P176-W192 HydrophobicContact CB-CZ3 3.82Å; P176-W192 WeakPolarHBondContact O-CH2 3.31Å; P176-W192 VanDerWaalsContact O-CZ3 3.29Å; P176-W192 WeakPolarHBondContact O-CZ3 3.32Å; L178-W192 HydrophobicContact CD2-CH2 4.2Å; L178-W192 HydrophobicContact CD2-CZ3 3.81Å; L178-W192 HydrophobicContact CG-CH2 4.21Å; L178-W192 HydrophobicContact CG-CZ3 4.11Å; V182-W192 HydrophobicContact CG1-CE3 3.77Å; V182-W192 HydrophobicContact CG1-CZ3 4.1Å; K184-W192 HydrophobicContact CB-CD2 4.16Å; K184-W192 HydrophobicContact CB-CE3 4.25Å; K184-W192 HydrophobicContact CD-CZ2 4.42Å; H189-W192 PolarHBondContact O-NE1 2.97Å
193	F	96	Very high	92.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.4	-167.6	-42.6	-80.6	0	0	0	113.4	I169 V182 L183 C185 S191 V198 F221	I169-F193 HydrophobicContact CD1-CB 4.33Å; I169-F193 HydrophobicContact CD1-CD1 3.51Å; I169-F193 HydrophobicContact CD1-CE1 4.07Å; I169-F193 HydrophobicContact CD1-CG 4.2Å; I169-F193 HydrophobicContact CG1-CD1 3.69Å; I169-F193 HydrophobicContact CG1-CE1 4Å; V182-F193 WeakPolarHBondContact CA-O 3.41Å; L183-F193 PolarHBondContact N-O 3.42Å; L183-F193 PolarHBondContact O-N 2.84Å; C185-F193 HydrophobicContact CB-CE2 4.14Å; S191-F193 VanDerWaalsContact CB-CZ 3.41Å; F193-V198 HydrophobicContact CB-CG2 3.21Å; F193-V198 HydrophobicContact CD1-CG2 4.36Å; F193-V198 HydrophobicContact CD2-CG2 4.1Å; F193-V198 HydrophobicContact CG-CG2 3.68Å; F193-F221 HydrophobicContact CD2-CE2 4.44Å; F193-F221 AromaticContact CE2-CE2 3.61Å; F193-F221 HydrophobicContact CE2-CE2 3.61Å; F193-F221 HydrophobicContact CE2-CZ 4.17Å; F193-F221 AromaticContact CZ-CE2 3.84Å; F193-F221 HydrophobicContact CZ-CE2 3.84Å; F193-F221 HydrophobicContact CZ-CZ 4.12Å
194	H	96.3	Very high	91.9	Very high	50 Å²	50	32.9 Å²	32.9	23%	0.231	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	133	158.6	-59.9	122.5	0	0	0	108.9	C170 S173 S181 D196 C197 V198	C170-H194 PolarHBondContact SG-ND1 3.25Å; S173-H194 PolarHBondContact O-NE2 3.31Å; S181-H194 CarbonylContact O-C 3.56Å; S181-H194 WeakPolarHBondContact O-CA 3.2Å; H194-D196 PolarHBondContact O-N 2.83Å; H194-C197 HydrophobicContact CB-CB 4.09Å; H194-C197 WeakPolarHBondContact O-CA 3.29Å; H194-C197 WeakPolarHBondContact O-CB 3.31Å; H194-C197 PolarHBondContact O-N 3.49Å; H194-V198 PolarHBondContact O-N 3.19Å
195	R	95.1	Very high	91.7	Very high	13 Å²	13	32.1 Å²	32.1	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-50.4	-46.2	178.1	-173.6	-164.2	-166.7	76	7.6	112.1	Y180 S181 L183 C197 V198 Q199 M228 G229 I230	Y180-R195 VanDerWaalsContact O-CD 3.27Å; Y180-R195 WeakPolarHBondContact O-CD 3.36Å; Y180-R195 PolarHBondContact O-NH1 2.92Å; Y180-R195 VanDerWaalsContact O-NH1 3.09Å; S181-R195 PolarHBondContact O-N 2.71Å; L183-R195 HydrophobicContact CD1-CB 4.44Å; L183-R195 HydrophobicContact CD1-CG 4.2Å; R195-C197 VanDerWaalsContact C-N 3.34Å; R195-C197 PolarHBondContact O-N 3.07Å; R195-V198 PolarHBondContact O-N 3.35Å; R195-Q199 PolarHBondContact O-N 2.95Å; R195-M228 VanDerWaalsContact CZ-O 3.27Å; R195-M228 PolarHBondContact NH1-O 3.48Å; R195-M228 VanDerWaalsContact NH1-O 3.14Å; R195-M228 PolarHBondContact NH2-O 3.32Å; R195-G229 PolarHBondContact NH2-O 2.96Å; R195-G229 VanDerWaalsContact NH2-O 3.17Å; R195-I230 HydrophobicContact CG-CD1 3.89Å
196	D	93.6	Very high	91.6	Very high	75 Å²	75	32 Å²	32	40%	0.401	18%	0.18	S	C	.	.	H	α-helix	trans	-65.5	-37.3	-179.9	-68.2	-29.4	0	0	0	111	R130 H194 V198 Q199 H200	R130-D196 IonicContact NH2-OD1 3.12Å; R130-D196 PolarHBondContact NH2-OD1 3.23Å; H194-D196 PolarHBondContact O-N 2.83Å; D196-V198 PolarHBondContact O-N 3.29Å; D196-Q199 PolarHBondContact O-N 2.84Å; D196-H200 PolarHBondContact O-N 3.21Å; D196-H200 PolarHBondContact O-ND1 3.24Å
197	C	95.4	Very high	91.4	Very high	27 Å²	27	31.7 Å²	31.7	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-43.1	174.4	-66.5	0	0	0	0	111.9	I169 C170 H194 R195 Q199 H200 Q201	I169-C197 HydrophobicContact CB-CB 4Å; I169-C197 HydrophobicContact CD1-CB 4.01Å; I169-C197 HydrophobicContact CG2-CB 3.95Å; C170-C197 VanDerWaalsContact SG-SG 3.66Å; H194-C197 HydrophobicContact CB-CB 4.09Å; H194-C197 WeakPolarHBondContact O-CA 3.29Å; H194-C197 WeakPolarHBondContact O-CB 3.31Å; H194-C197 PolarHBondContact O-N 3.49Å; R195-C197 VanDerWaalsContact C-N 3.34Å; R195-C197 PolarHBondContact O-N 3.07Å; C197-Q199 VanDerWaalsContact C-N 3.32Å; C197-Q199 PolarHBondContact O-N 3.28Å; C197-H200 PolarHBondContact O-N 3.03Å; C197-Q201 WeakPolarHBondContact O-CB 3.37Å; C197-Q201 PolarHBondContact O-N 2.8Å
198	V	96.1	Very high	91.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-42.1	175.3	-174.7	0	0	0	0	110.8	I169 F193 H194 R195 D196 H200 Q201 A202 F210 F221 M225 I230	I169-V198 HydrophobicContact CD1-CB 4.43Å; I169-V198 HydrophobicContact CD1-CG2 3.92Å; F193-V198 HydrophobicContact CB-CG2 3.21Å; F193-V198 HydrophobicContact CD1-CG2 4.36Å; F193-V198 HydrophobicContact CD2-CG2 4.1Å; F193-V198 HydrophobicContact CG-CG2 3.68Å; H194-V198 PolarHBondContact O-N 3.19Å; R195-V198 PolarHBondContact O-N 3.35Å; D196-V198 PolarHBondContact O-N 3.29Å; V198-H200 PolarHBondContact O-N 3.3Å; V198-Q201 PolarHBondContact O-N 3.15Å; V198-A202 WeakPolarHBondContact O-CB 3.35Å; V198-A202 PolarHBondContact O-N 2.88Å; V198-F210 HydrophobicContact CG1-CE2 4.04Å; V198-F210 HydrophobicContact CG1-CZ 3.57Å; V198-F221 HydrophobicContact CG1-CZ 4.45Å; V198-M225 HydrophobicContact CG1-CG 3.95Å; V198-M225 HydrophobicContact CG1-SD 3.72Å; V198-I230 HydrophobicContact CB-CD1 4.14Å; V198-I230 HydrophobicContact CB-CG1 4.44Å; V198-I230 HydrophobicContact CG1-CD1 4.16Å; V198-I230 HydrophobicContact CG1-CG1 3.92Å; V198-I230 HydrophobicContact CG1-CG2 4.14Å
199	Q	94.9	Very high	91.4	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-41.3	178.9	-175.3	58	73.7	0	0	112.4	A47 R195 D196 C197 H203 I230 Y231	A47-Q199 WeakPolarHBondContact O-CG 3.49Å; R195-Q199 PolarHBondContact O-N 2.95Å; D196-Q199 PolarHBondContact O-N 2.84Å; C197-Q199 VanDerWaalsContact C-N 3.32Å; C197-Q199 PolarHBondContact O-N 3.28Å; Q199-H203 WeakPolarHBondContact O-CB 3.27Å; Q199-H203 PolarHBondContact O-N 3.17Å; Q199-I230 HydrophobicContact CB-CD1 4.22Å; Q199-Y231 PolarHBondContact NE2-O 3.35Å
200	H	93	Very high	92	Very high	80 Å²	80	31.4 Å²	31.4	37%	0.37	16%	0.163	S	C	.	.	H	α-helix	trans	-68.1	-40.9	174.8	-71.2	93.1	0	0	0	111.8	D45 D196 C197 V198 H203 S204	D45-H200 IonicContact OD2-NE2 2.65Å; D196-H200 PolarHBondContact O-N 3.21Å; D196-H200 PolarHBondContact O-ND1 3.24Å; C197-H200 PolarHBondContact O-N 3.03Å; V198-H200 PolarHBondContact O-N 3.3Å; H200-H203 PolarHBondContact O-N 3.02Å; H200-S204 WeakPolarHBondContact O-CB 3.41Å; H200-S204 PolarHBondContact O-N 3.5Å
201	Q	94.1	Very high	92.6	Very high	37 Å²	37	34.7 Å²	34.7	17%	0.173	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-47.3	175.4	-170.6	-164.4	6.9	0	0	110.9	I169 C197 V198 H203 S204 A205 F210 R211	I169-Q201 HydrophobicContact CD1-CB 4.2Å; C197-Q201 WeakPolarHBondContact O-CB 3.37Å; C197-Q201 PolarHBondContact O-N 2.8Å; V198-Q201 PolarHBondContact O-N 3.15Å; Q201-H203 PolarHBondContact O-N 2.78Å; Q201-S204 PolarHBondContact O-N 3.38Å; Q201-A205 WeakPolarHBondContact O-CB 3.28Å; Q201-A205 PolarHBondContact O-N 3.25Å; Q201-F210 HydrophobicContact CB-CD2 4.49Å; Q201-F210 HydrophobicContact CB-CE2 4.19Å; Q201-F210 HydrophobicContact CG-CD2 4.12Å; Q201-F210 HydrophobicContact CG-CE2 4.15Å; Q201-R211 PolarHBondContact NE2-O 3.32Å
202	A	94.8	Very high	92.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-45.7	176.3	0	0	0	0	0	111.6	V198 S204 G206 F210 I230 Y231 I232 P233	V198-A202 WeakPolarHBondContact O-CB 3.35Å; V198-A202 PolarHBondContact O-N 2.88Å; A202-S204 VanDerWaalsContact C-N 3.33Å; A202-S204 PolarHBondContact O-N 2.99Å; A202-G206 PolarHBondContact O-N 2.9Å; A202-F210 VanDerWaalsContact CA-CD2 3.41Å; A202-F210 HydrophobicContact CB-CD1 4.12Å; A202-F210 HydrophobicContact CB-CD2 3.84Å; A202-F210 HydrophobicContact CB-CE1 4Å; A202-F210 HydrophobicContact CB-CE2 3.68Å; A202-F210 HydrophobicContact CB-CG 4.05Å; A202-F210 HydrophobicContact CB-CZ 3.77Å; A202-I230 HydrophobicContact CB-CG2 3.66Å; A202-Y231 WeakPolarHBondContact CB-O 3.42Å; A202-I232 HydrophobicContact CB-CG1 4.16Å; A202-P233 WeakPolarHBondContact O-CD 3.27Å
203	H	90.5	Very high	92.6	Very high	46 Å²	46	37.7 Å²	37.7	21%	0.213	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-38.9	178.5	179.1	-99.3	0	0	0	112.8	A47 Q199 H200 Q201 R235	A47-H203 HydrophobicContact CB-CB 4.18Å; Q199-H203 WeakPolarHBondContact O-CB 3.27Å; Q199-H203 PolarHBondContact O-N 3.17Å; H200-H203 PolarHBondContact O-N 3.02Å; Q201-H203 PolarHBondContact O-N 2.78Å; H203-R235 PolarHBondContact CD2-NH2 3.08Å; H203-R235 PolarHBondContact CE1-NH2 3.45Å; H203-R235 PolarHBondContact NE2-NH2 3.15Å; H203-R235 PolarHBondContact O-NH2 3.15Å
204	S	89.1	Confident	92.2	Very high	41 Å²	41	42.7 Å²	42.7	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-77.7	-42.2	179.9	177.4	0	0	0	0	112.6	H200 Q201 A202 A237 S238 W239	H200-S204 WeakPolarHBondContact O-CB 3.41Å; H200-S204 PolarHBondContact O-N 3.5Å; Q201-S204 PolarHBondContact O-N 3.38Å; A202-S204 VanDerWaalsContact C-N 3.33Å; A202-S204 PolarHBondContact O-N 2.99Å; S204-A237 CarbonylContact O-C 3.47Å; S204-A237 WeakPolarHBondContact O-CA 3.46Å; S204-S238 WeakPolarHBondContact CA-OG 3.27Å; S204-S238 PolarHBondContact O-N 2.88Å; S204-S238 PolarHBondContact O-OG 3.26Å; S204-S238 PolarHBondContact OG-OG 2.6Å; S204-W239 WeakPolarHBondContact OG-CZ3 3.46Å
205	A	89.7	Confident	91.8	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-80.7	-24.7	-175.6	0	0	0	0	0	114.2	Q201 F209 F210 A237 W239	Q201-A205 WeakPolarHBondContact O-CB 3.28Å; Q201-A205 PolarHBondContact O-N 3.25Å; A205-F209 HydrophobicContact CB-CB 4.21Å; A205-F209 WeakPolarHBondContact O-CB 3.49Å; A205-F210 HydrophobicContact CB-CB 4.02Å; A205-A237 WeakPolarHBondContact O-CB 3.04Å; A205-W239 HydrophobicContact CB-CH2 3.56Å; A205-W239 HydrophobicContact CB-CZ3 4.08Å
206	G	89.3	Confident	91.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	62.8	179.1	-174.2	0	0	0	0	0	113.1	A202 F208 F209 F210 P233	A202-G206 PolarHBondContact O-N 2.9Å; G206-F208 PolarHBondContact O-N 3.08Å; G206-F209 PolarHBondContact O-N 2.84Å; G206-F210 WeakPolarHBondContact O-CB 3.07Å; G206-F210 PolarHBondContact O-N 3.46Å; G206-F210 VanDerWaalsContact O-N 3.07Å; G206-P233 WeakPolarHBondContact CA-O 3.3Å
207	L	88.6	Confident	91.4	Very high	51 Å²	51	44.7 Å²	44.7	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-35.9	-175.7	-176.4	66	0	0	0	113.1	K218 Q222 I232 P233 E234	L207-K218 VanDerWaalsContact O-CE 3.27Å; L207-K218 WeakPolarHBondContact O-CE 3.33Å; L207-K218 PolarHBondContact O-NZ 3.21Å; L207-Q222 PolarHBondContact O-NE2 3.07Å; L207-I232 HydrophobicContact CB-CG2 4.23Å; L207-I232 HydrophobicContact CD1-CG2 4.13Å; L207-P233 PolarHBondContact N-O 3.13Å; L207-E234 HydrophobicContact CD2-CG 4.09Å
208	F	84.6	Confident	91.3	Very high	118 Å²	118	46.3 Å²	46.3	52%	0.518	23%	0.231	S	C	.	.	H	α-helix	trans	-74.1	-37.3	-172.5	-64.6	-71.6	0	0	0	113.5	G206 K218	G206-F208 PolarHBondContact O-N 3.08Å; F208-K218 WeakPolarHBondContact O-CE 3.29Å; F208-K218 PolarHBondContact O-NZ 3.08Å
209	F	89.1	Confident	91.1	Very high	70 Å²	70	52.5 Å²	52.5	31%	0.307	26%	0.26	S	S	.	.	H	α-helix	trans	-111.4	-6.8	-171.5	-59.6	-83.6	0	0	0	114.6	A205 G206 R211 A237 W239 E240	A205-F209 HydrophobicContact CB-CB 4.21Å; A205-F209 WeakPolarHBondContact O-CB 3.49Å; G206-F209 PolarHBondContact O-N 2.84Å; F209-R211 WeakPolarHBondContact O-CG 3.49Å; F209-R211 PolarHBondContact O-N 3.29Å; F209-A237 HydrophobicContact CD2-CB 3.72Å; F209-A237 HydrophobicContact CE2-CB 4.26Å; F209-A237 HydrophobicContact CG-CB 4.43Å; F209-W239 HydrophobicContact CB-CH2 4.35Å; F209-W239 HydrophobicContact CB-CZ2 3.96Å; F209-W239 HydrophobicContact CG-CZ2 4.22Å; F209-E240 HydrophobicContact CE2-CG 4.39Å
210	F	94.8	Very high	91.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.			trans	-71.1	109.4	177.9	-178.8	-121	0	0	0	111.5	V198 Q201 A202 A205 G206 F221 Q222 M225 I230 I232	V198-F210 HydrophobicContact CG1-CE2 4.04Å; V198-F210 HydrophobicContact CG1-CZ 3.57Å; Q201-F210 HydrophobicContact CB-CD2 4.49Å; Q201-F210 HydrophobicContact CB-CE2 4.19Å; Q201-F210 HydrophobicContact CG-CD2 4.12Å; Q201-F210 HydrophobicContact CG-CE2 4.15Å; A202-F210 VanDerWaalsContact CA-CD2 3.41Å; A202-F210 HydrophobicContact CB-CD1 4.12Å; A202-F210 HydrophobicContact CB-CD2 3.84Å; A202-F210 HydrophobicContact CB-CE1 4Å; A202-F210 HydrophobicContact CB-CE2 3.68Å; A202-F210 HydrophobicContact CB-CG 4.05Å; A202-F210 HydrophobicContact CB-CZ 3.77Å; A205-F210 HydrophobicContact CB-CB 4.02Å; G206-F210 WeakPolarHBondContact O-CB 3.07Å; G206-F210 PolarHBondContact O-N 3.46Å; G206-F210 VanDerWaalsContact O-N 3.07Å; F210-F221 HydrophobicContact CD1-CE1 4.43Å; F210-F221 HydrophobicContact CD2-CE1 4.24Å; F210-F221 HydrophobicContact CE1-CD1 4.17Å; F210-F221 AromaticContact CE1-CE1 3.84Å; F210-F221 HydrophobicContact CE1-CE1 3.84Å; F210-F221 AromaticContact CE2-CE1 3.63Å; F210-F221 HydrophobicContact CE2-CE1 3.63Å; F210-F221 HydrophobicContact CE2-CZ 4.28Å; F210-F221 HydrophobicContact CZ-CD1 4.18Å; F210-F221 AromaticContact CZ-CE1 3.39Å; F210-F221 HydrophobicContact CZ-CE1 3.39Å; F210-F221 AromaticContact CZ-CZ 4Å; F210-F221 HydrophobicContact CZ-CZ 4Å; F210-Q222 HydrophobicContact CD1-CG 3.91Å; F210-Q222 WeakPolarHBondContact O-CG 3.24Å; F210-Q222 PolarHBondContact O-NE2 3.47Å; F210-M225 HydrophobicContact CE1-CB 3.98Å; F210-M225 HydrophobicContact CE1-CG 4.12Å; F210-M225 HydrophobicContact CZ-CB 4.2Å; F210-M225 HydrophobicContact CZ-CG 3.98Å; F210-I230 HydrophobicContact CZ-CG2 4.42Å; F210-I232 HydrophobicContact CB-CG2 4.39Å; F210-I232 HydrophobicContact CD1-CD1 3.52Å; F210-I232 HydrophobicContact CD1-CG1 3.7Å; F210-I232 HydrophobicContact CD1-CG2 4.23Å; F210-I232 HydrophobicContact CE1-CD1 3.69Å; F210-I232 HydrophobicContact CE1-CG1 3.84Å
211	R	94.6	Very high	91.2	Very high	102 Å²	102	51.9 Å²	51.9	39%	0.385	26%	0.26	S	S	.	.			trans	-150.6	164.9	-175.8	60.3	-150.1	167.1	143.3	-14.1	110.4	Q201 F209 T213 N216 K218 F221	Q201-R211 PolarHBondContact NE2-O 3.32Å; F209-R211 WeakPolarHBondContact O-CG 3.49Å; F209-R211 PolarHBondContact O-N 3.29Å; R211-T213 PolarHBondContact O-N 2.65Å; R211-N216 WeakPolarHBondContact CD-OD1 3.34Å; R211-N216 VanDerWaalsContact CZ-OD1 3.32Å; R211-N216 PolarHBondContact NE-OD1 2.9Å; R211-N216 PolarHBondContact NH1-OD1 3.47Å; R211-K218 HydrophobicContact CB-CB 4.21Å; R211-F221 VanDerWaalsContact C-CD1 3.43Å
212	C	94.8	Very high	91.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.014	26%	0.257	C	S	.	.			trans	-59.7	131.7	177.6	-179.6	0	0	0	0	111	S191 L214 C215 N216 N217 F221	S191-C212 PolarHBondContact OG-SG 2.88Å; C212-L214 PolarHBondContact O-N 2.86Å; C212-C215 VanDerWaalsContact CB-SG 3.59Å; C212-N216 WeakPolarHBondContact O-CA 3.45Å; C212-N216 PolarHBondContact O-N 3.02Å; C212-N216 VanDerWaalsContact O-N 3.13Å; C212-N217 PolarHBondContact N-O 3.36Å; C212-N217 VanDerWaalsContact N-O 3.15Å; C212-F221 HydrophobicContact CB-CB 4.4Å; C212-F221 HydrophobicContact CB-CD1 4.44Å; C212-F221 HydrophobicContact CB-CD2 4.02Å; C212-F221 HydrophobicContact CB-CE2 4.4Å; C212-F221 HydrophobicContact CB-CG 4.03Å; C212-F221 VanDerWaalsContact N-CD1 3.33Å
213	T	89.4	Confident	91.2	Very high	63 Å²	63	58.1 Å²	58.1	39%	0.387	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.9	-177.3	56.1	0	0	0	0	114	S168 I169 R211	S168-T213 WeakPolarHBondContact CB-OG1 3.3Å; S168-T213 PolarHBondContact O-OG1 2.88Å; I169-T213 HydrophobicContact CG1-CG2 4.12Å; R211-T213 PolarHBondContact O-N 2.65Å
214	L	87.9	Confident	91.4	Very high	105 Å²	105	57.4 Å²	57.4	55%	0.55	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-56.6	178.2	-56.9	-174	0	0	0	113.3	G190 S191 C212	G190-L214 VanDerWaalsContact O-CD1 3.31Å; G190-L214 WeakPolarHBondContact O-CD1 3.47Å; S191-L214 VanDerWaalsContact OG-CB 3.29Å; S191-L214 WeakPolarHBondContact OG-CB 3.36Å; S191-L214 VanDerWaalsContact OG-CD1 3.22Å; S191-L214 WeakPolarHBondContact OG-CD1 3.4Å; S191-L214 VanDerWaalsContact OG-CG 3.23Å; S191-L214 WeakPolarHBondContact OG-CG 3.43Å; C212-L214 PolarHBondContact O-N 2.86Å
215	C	88.6	Confident	91.7	Very high	50 Å²	50	55.4 Å²	55.4	34%	0.338	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-3	-174	71.6	0	0	0	0	114.2	C188 C212 N217	C188-C215 HydrophobicContact CB-CB 3.81Å; C212-C215 VanDerWaalsContact CB-SG 3.59Å; C215-N217 PolarHBondContact O-N 3.07Å
216	N	88.3	Confident	91.9	Very high	91 Å²	91	56.8 Å²	56.8	49%	0.487	28%	0.28	S	S	.	.			trans	59.3	6.9	178.9	-163.1	40.6	0	0	0	115.4	R211 C212 K218	R211-N216 WeakPolarHBondContact CD-OD1 3.34Å; R211-N216 VanDerWaalsContact CZ-OD1 3.32Å; R211-N216 PolarHBondContact NE-OD1 2.9Å; R211-N216 PolarHBondContact NH1-OD1 3.47Å; C212-N216 WeakPolarHBondContact O-CA 3.45Å; C212-N216 PolarHBondContact O-N 3.02Å; C212-N216 VanDerWaalsContact O-N 3.13Å; N216-K218 PolarHBondContact O-N 3.23Å
217	N	92.3	Very high	92.2	Very high	39 Å²	39	60.8 Å²	60.8	21%	0.209	30%	0.295	C	S	.	.			trans	-64.2	126.8	174.2	-178.7	-92.3	0	0	0	109.6	S187 C212 C215 N220 F221	S187-N217 VanDerWaalsContact OG-CG 3.31Å; S187-N217 PolarHBondContact OG-OD1 3.29Å; C212-N217 PolarHBondContact N-O 3.36Å; C212-N217 VanDerWaalsContact N-O 3.15Å; C215-N217 PolarHBondContact O-N 3.07Å; N217-N220 WeakPolarHBondContact OD1-CB 3.43Å; N217-N220 PolarHBondContact OD1-N 2.63Å; N217-F221 VanDerWaalsContact O-CB 3.23Å; N217-F221 WeakPolarHBondContact O-CB 3.18Å; N217-F221 PolarHBondContact OD1-N 3.19Å
218	K	92.7	Very high	92.5	Very high	61 Å²	61	58.6 Å²	58.6	27%	0.265	28%	0.284	S	S	.	.			trans	-98.3	-52.7	-178.3	-177.8	179.9	173.8	177.6	0	110.6	L207 F208 R211 N216 F221 Q222	L207-K218 VanDerWaalsContact O-CE 3.27Å; L207-K218 WeakPolarHBondContact O-CE 3.33Å; L207-K218 PolarHBondContact O-NZ 3.21Å; F208-K218 WeakPolarHBondContact O-CE 3.29Å; F208-K218 PolarHBondContact O-NZ 3.08Å; R211-K218 HydrophobicContact CB-CB 4.21Å; N216-K218 PolarHBondContact O-N 3.23Å; K218-F221 PolarHBondContact O-N 3.22Å; K218-Q222 VanDerWaalsContact CE-NE2 3.29Å; K218-Q222 HydrophobicContact CG-CG 4.22Å; K218-Q222 VanDerWaalsContact O-CB 3.31Å; K218-Q222 WeakPolarHBondContact O-CB 3.16Å; K218-Q222 WeakPolarHBondContact O-CG 3.4Å; K218-Q222 PolarHBondContact O-N 2.86Å
219	E	92.8	Very high	93	Very high	130 Å²	130	53.3 Å²	53.3	61%	0.607	26%	0.262	S	S	*	.	H	α-helix	trans	-63	-61.2	-166.9	-59.2	75.5	-157.2	0	0	112	F221 Q222 Q223	E219-F221 VanDerWaalsContact C-N 3.29Å; E219-F221 PolarHBondContact O-N 2.87Å; E219-Q222 PolarHBondContact O-N 2.95Å; E219-Q223 WeakPolarHBondContact O-CB 3.45Å; E219-Q223 PolarHBondContact O-N 2.96Å
220	N	93.4	Very high	93.3	Very high	81 Å²	81	50 Å²	50	43%	0.433	25%	0.247	S	C	.	.	H	α-helix	trans	-66.4	-36.3	-177.7	-57.2	-24.2	0	0	0	111	P186 S187 N217 E224	P186-N220 HydrophobicContact CG-CB 4Å; P186-N220 WeakPolarHBondContact CG-O 3.38Å; S187-N220 WeakPolarHBondContact OG-CB 3.45Å; S187-N220 PolarHBondContact OG-ND2 2.98Å; N217-N220 WeakPolarHBondContact OD1-CB 3.43Å; N217-N220 PolarHBondContact OD1-N 2.63Å; N220-E224 VanDerWaalsContact O-CB 3.3Å; N220-E224 WeakPolarHBondContact O-CB 3.2Å; N220-E224 PolarHBondContact O-N 3.22Å
221	F	95.3	Very high	93.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-50.7	177.4	-176.2	-109.9	0	0	0	111.2	C185 F193 V198 F210 R211 C212 N217 K218 E219 E224 M225	C185-F221 HydrophobicContact CB-CD2 4.28Å; F193-F221 HydrophobicContact CD2-CE2 4.44Å; F193-F221 AromaticContact CE2-CE2 3.61Å; F193-F221 HydrophobicContact CE2-CE2 3.61Å; F193-F221 HydrophobicContact CE2-CZ 4.17Å; F193-F221 AromaticContact CZ-CE2 3.84Å; F193-F221 HydrophobicContact CZ-CE2 3.84Å; F193-F221 HydrophobicContact CZ-CZ 4.12Å; V198-F221 HydrophobicContact CG1-CZ 4.45Å; F210-F221 HydrophobicContact CD1-CE1 4.43Å; F210-F221 HydrophobicContact CD2-CE1 4.24Å; F210-F221 HydrophobicContact CE1-CD1 4.17Å; F210-F221 AromaticContact CE1-CE1 3.84Å; F210-F221 HydrophobicContact CE1-CE1 3.84Å; F210-F221 AromaticContact CE2-CE1 3.63Å; F210-F221 HydrophobicContact CE2-CE1 3.63Å; F210-F221 HydrophobicContact CE2-CZ 4.28Å; F210-F221 HydrophobicContact CZ-CD1 4.18Å; F210-F221 AromaticContact CZ-CE1 3.39Å; F210-F221 HydrophobicContact CZ-CE1 3.39Å; F210-F221 AromaticContact CZ-CZ 4Å; F210-F221 HydrophobicContact CZ-CZ 4Å; R211-F221 VanDerWaalsContact C-CD1 3.43Å; C212-F221 HydrophobicContact CB-CB 4.4Å; C212-F221 HydrophobicContact CB-CD1 4.44Å; C212-F221 HydrophobicContact CB-CD2 4.02Å; C212-F221 HydrophobicContact CB-CE2 4.4Å; C212-F221 HydrophobicContact CB-CG 4.03Å; C212-F221 VanDerWaalsContact N-CD1 3.33Å; N217-F221 VanDerWaalsContact O-CB 3.23Å; N217-F221 WeakPolarHBondContact O-CB 3.18Å; N217-F221 PolarHBondContact OD1-N 3.19Å; K218-F221 PolarHBondContact O-N 3.22Å; E219-F221 VanDerWaalsContact C-N 3.29Å; E219-F221 PolarHBondContact O-N 2.87Å; F221-E224 PolarHBondContact O-N 3.49Å; F221-M225 HydrophobicContact CD1-CG 4.29Å; F221-M225 HydrophobicContact CD2-CE 4.11Å; F221-M225 HydrophobicContact CD2-CG 4.1Å; F221-M225 HydrophobicContact CE1-CG 4.05Å; F221-M225 HydrophobicContact CE2-CE 3.9Å; F221-M225 HydrophobicContact CE2-CG 3.8Å; F221-M225 HydrophobicContact CE2-SD 3.98Å; F221-M225 HydrophobicContact CG-CG 4.34Å; F221-M225 HydrophobicContact CZ-CG 3.8Å; F221-M225 HydrophobicContact CZ-SD 4.24Å; F221-M225 WeakPolarHBondContact O-CB 3.45Å; F221-M225 WeakPolarHBondContact O-CG 3.49Å; F221-M225 PolarHBondContact O-N 2.92Å
222	Q	95.1	Very high	93.2	Very high	25 Å²	25	48.2 Å²	48.2	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-48.5	177.7	-73.2	-170.2	-5.4	0	0	111.5	L207 F210 K218 E219 E224 M225 V226 I232	L207-Q222 PolarHBondContact O-NE2 3.07Å; F210-Q222 HydrophobicContact CD1-CG 3.91Å; F210-Q222 WeakPolarHBondContact O-CG 3.24Å; F210-Q222 PolarHBondContact O-NE2 3.47Å; K218-Q222 VanDerWaalsContact CE-NE2 3.29Å; K218-Q222 HydrophobicContact CG-CG 4.22Å; K218-Q222 VanDerWaalsContact O-CB 3.31Å; K218-Q222 WeakPolarHBondContact O-CB 3.16Å; K218-Q222 WeakPolarHBondContact O-CG 3.4Å; K218-Q222 PolarHBondContact O-N 2.86Å; E219-Q222 PolarHBondContact O-N 2.95Å; Q222-E224 VanDerWaalsContact C-N 3.33Å; Q222-E224 PolarHBondContact O-N 3.28Å; Q222-M225 PolarHBondContact O-N 3.49Å; Q222-V226 WeakPolarHBondContact O-CB 3.39Å; Q222-V226 VanDerWaalsContact O-CG2 3.31Å; Q222-V226 WeakPolarHBondContact O-CG2 3.34Å; Q222-V226 PolarHBondContact O-N 2.88Å; Q222-I232 HydrophobicContact CB-CD1 4.03Å; Q222-I232 HydrophobicContact CG-CD1 4.05Å
223	Q	94.3	Very high	92.9	Very high	142 Å²	142	48.5 Å²	48.5	66%	0.664	24%	0.244	S	C	*	.	H	α-helix	trans	-56.7	-47.4	180	-171.9	-176.1	20.9	0	0	111.6	E219 V226 R227	E219-Q223 WeakPolarHBondContact O-CB 3.45Å; E219-Q223 PolarHBondContact O-N 2.96Å; Q223-V226 PolarHBondContact O-N 3.17Å; Q223-R227 WeakPolarHBondContact O-CB 3.11Å; Q223-R227 PolarHBondContact O-N 2.79Å
224	E	95.1	Very high	92.7	Very high	31 Å²	31	53.6 Å²	53.6	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-69.9	-39.6	-179.8	-176.1	63.1	-176.1	0	0	112	Q153 P186 N220 F221 Q222 R227 M228	Q153-E224 WeakPolarHBondContact CG-OE1 3.02Å; Q153-E224 VanDerWaalsContact NE2-CG 3.32Å; Q153-E224 PolarHBondContact NE2-OE1 2.84Å; Q153-E224 VanDerWaalsContact NE2-OE1 3.11Å; P186-E224 HydrophobicContact CB-CB 4.29Å; P186-E224 HydrophobicContact CB-CG 4.26Å; P186-E224 HydrophobicContact CG-CB 3.75Å; P186-E224 HydrophobicContact CG-CG 4.13Å; N220-E224 VanDerWaalsContact O-CB 3.3Å; N220-E224 WeakPolarHBondContact O-CB 3.2Å; N220-E224 PolarHBondContact O-N 3.22Å; F221-E224 PolarHBondContact O-N 3.49Å; Q222-E224 VanDerWaalsContact C-N 3.33Å; Q222-E224 PolarHBondContact O-N 3.28Å; E224-R227 PolarHBondContact O-N 2.77Å; E224-R227 IonicContact OE1-CZ 3.79Å; E224-R227 IonicContact OE1-NE 2.79Å; E224-R227 IonicContact OE1-NH2 3.91Å; E224-R227 PolarHBondContact OE1-NH2 3.48Å; E224-R227 IonicContact OE2-CZ 3.86Å; E224-R227 IonicContact OE2-NE 3.23Å; E224-R227 PolarHBondContact OE2-NE 3.45Å; E224-R227 IonicContact OE2-NH2 3.55Å; E224-R227 PolarHBondContact OE2-NH2 3.17Å; E224-M228 HydrophobicContact CG-CG 4.48Å; E224-M228 WeakPolarHBondContact O-CB 3.41Å; E224-M228 VanDerWaalsContact O-CG 3.26Å; E224-M228 WeakPolarHBondContact O-CG 3.48Å; E224-M228 PolarHBondContact O-N 3.39Å
225	M	95.7	Very high	92.4	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-40.8	176.8	-68	-50.3	109.2	0	0	111.3	L183 K184 V198 F210 F221 Q222 M228 G229 I230	L183-M225 HydrophobicContact CB-SD 4.45Å; L183-M225 HydrophobicContact CD1-SD 3.93Å; K184-M225 WeakPolarHBondContact O-CE 3.35Å; V198-M225 HydrophobicContact CG1-CG 3.95Å; V198-M225 HydrophobicContact CG1-SD 3.72Å; F210-M225 HydrophobicContact CE1-CB 3.98Å; F210-M225 HydrophobicContact CE1-CG 4.12Å; F210-M225 HydrophobicContact CZ-CB 4.2Å; F210-M225 HydrophobicContact CZ-CG 3.98Å; F221-M225 HydrophobicContact CD1-CG 4.29Å; F221-M225 HydrophobicContact CD2-CE 4.11Å; F221-M225 HydrophobicContact CD2-CG 4.1Å; F221-M225 HydrophobicContact CE1-CG 4.05Å; F221-M225 HydrophobicContact CE2-CE 3.9Å; F221-M225 HydrophobicContact CE2-CG 3.8Å; F221-M225 HydrophobicContact CE2-SD 3.98Å; F221-M225 HydrophobicContact CG-CG 4.34Å; F221-M225 HydrophobicContact CZ-CG 3.8Å; F221-M225 HydrophobicContact CZ-SD 4.24Å; F221-M225 WeakPolarHBondContact O-CB 3.45Å; F221-M225 WeakPolarHBondContact O-CG 3.49Å; F221-M225 PolarHBondContact O-N 2.92Å; Q222-M225 PolarHBondContact O-N 3.49Å; M225-M228 CarbonylContact O-C 3.55Å; M225-M228 PolarHBondContact O-N 3.02Å; M225-G229 PolarHBondContact O-N 3.15Å; M225-G229 VanDerWaalsContact O-N 3.08Å; M225-I230 HydrophobicContact CB-CB 3.98Å; M225-I230 HydrophobicContact CB-CG1 3.99Å; M225-I230 HydrophobicContact CB-CG2 4.47Å; M225-I230 VanDerWaalsContact O-CB 3.27Å; M225-I230 WeakPolarHBondContact O-CB 3.39Å; M225-I230 WeakPolarHBondContact O-CG1 3.11Å; M225-I230 PolarHBondContact O-N 2.73Å; M225-I230 HydrophobicContact SD-CG1 4.45Å
226	V	94.2	Very high	91.9	Very high	32 Å²	32	54.7 Å²	54.7	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-45.6	173	172.4	0	0	0	0	111	Q222 Q223 M228 G229 I232	Q222-V226 WeakPolarHBondContact O-CB 3.39Å; Q222-V226 VanDerWaalsContact O-CG2 3.31Å; Q222-V226 WeakPolarHBondContact O-CG2 3.34Å; Q222-V226 PolarHBondContact O-N 2.88Å; Q223-V226 PolarHBondContact O-N 3.17Å; V226-M228 PolarHBondContact O-N 3.15Å; V226-G229 WeakPolarHBondContact O-CA 3.49Å; V226-G229 PolarHBondContact O-N 2.94Å; V226-I232 HydrophobicContact CG2-CD1 3.47Å; V226-I232 VanDerWaalsContact CG2-CD1 3.47Å; V226-I232 HydrophobicContact CG2-CG1 4.13Å
227	R	94.8	Very high	91.6	Very high	83 Å²	83	50.3 Å²	50.3	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-57.5	-39.4	176.2	-169.6	-177.3	78.6	94.2	3.4	111.3	Q137 P151 T152 Q223 E224 G229	Q137-R227 WeakPolarHBondContact CG-O 3.38Å; Q137-R227 PolarHBondContact NE2-O 2.99Å; P151-R227 HydrophobicContact CB-CG 4.48Å; P151-R227 VanDerWaalsContact CG-O 3.25Å; P151-R227 WeakPolarHBondContact CG-O 3.4Å; T152-R227 PolarHBondContact O-NH2 2.99Å; Q223-R227 WeakPolarHBondContact O-CB 3.11Å; Q223-R227 PolarHBondContact O-N 2.79Å; E224-R227 PolarHBondContact O-N 2.77Å; E224-R227 IonicContact OE1-CZ 3.79Å; E224-R227 IonicContact OE1-NE 2.79Å; E224-R227 IonicContact OE1-NH2 3.91Å; E224-R227 PolarHBondContact OE1-NH2 3.48Å; E224-R227 IonicContact OE2-CZ 3.86Å; E224-R227 IonicContact OE2-NE 3.23Å; E224-R227 PolarHBondContact OE2-NE 3.45Å; E224-R227 IonicContact OE2-NH2 3.55Å; E224-R227 PolarHBondContact OE2-NH2 3.17Å; R227-G229 PolarHBondContact O-N 2.96Å
228	M	95.4	Very high	91.1	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.03	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.4	177.3	-67.5	-53.5	-59.7	0	0	113.6	I135 P151 Q153 L183 R195 E224 M225 V226	I135-M228 HydrophobicContact CD1-CE 3.9Å; P151-M228 HydrophobicContact CB-SD 4.33Å; P151-M228 HydrophobicContact CG-SD 4.43Å; Q153-M228 HydrophobicContact CG-CE 3.91Å; Q153-M228 HydrophobicContact CG-CG 3.73Å; Q153-M228 HydrophobicContact CG-SD 3.63Å; L183-M228 HydrophobicContact CD1-CB 4.44Å; L183-M228 HydrophobicContact CD2-CB 4.11Å; L183-M228 HydrophobicContact CD2-CE 3.96Å; L183-M228 HydrophobicContact CD2-CG 4.28Å; R195-M228 VanDerWaalsContact CZ-O 3.27Å; R195-M228 PolarHBondContact NH1-O 3.48Å; R195-M228 VanDerWaalsContact NH1-O 3.14Å; R195-M228 PolarHBondContact NH2-O 3.32Å; E224-M228 HydrophobicContact CG-CG 4.48Å; E224-M228 WeakPolarHBondContact O-CB 3.41Å; E224-M228 VanDerWaalsContact O-CG 3.26Å; E224-M228 WeakPolarHBondContact O-CG 3.48Å; E224-M228 PolarHBondContact O-N 3.39Å; M225-M228 CarbonylContact O-C 3.55Å; M225-M228 PolarHBondContact O-N 3.02Å; V226-M228 PolarHBondContact O-N 3.15Å
229	G	93.9	Very high	90.3	Very high	6 Å²	6	51.6 Å²	51.6	6%	0.062	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	36.1	171.4	0	0	0	0	0	115.5	T136 R195 M225 V226 R227	T136-G229 WeakPolarHBondContact O-CA 3.34Å; R195-G229 PolarHBondContact NH2-O 2.96Å; R195-G229 VanDerWaalsContact NH2-O 3.17Å; M225-G229 PolarHBondContact O-N 3.15Å; M225-G229 VanDerWaalsContact O-N 3.08Å; V226-G229 WeakPolarHBondContact O-CA 3.49Å; V226-G229 PolarHBondContact O-N 2.94Å; R227-G229 PolarHBondContact O-N 2.96Å
230	I	95.6	Very high	89.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.231	C	C	.	.			trans	-90.4	127.2	165.6	-58.2	-60	0	0	0	108.7	L183 R195 V198 Q199 A202 F210 M225	L183-I230 HydrophobicContact CD1-CD1 4.05Å; L183-I230 HydrophobicContact CD1-CG1 4.11Å; R195-I230 HydrophobicContact CG-CD1 3.89Å; V198-I230 HydrophobicContact CB-CD1 4.14Å; V198-I230 HydrophobicContact CB-CG1 4.44Å; V198-I230 HydrophobicContact CG1-CD1 4.16Å; V198-I230 HydrophobicContact CG1-CG1 3.92Å; V198-I230 HydrophobicContact CG1-CG2 4.14Å; Q199-I230 HydrophobicContact CB-CD1 4.22Å; A202-I230 HydrophobicContact CB-CG2 3.66Å; F210-I230 HydrophobicContact CZ-CG2 4.42Å; M225-I230 HydrophobicContact CB-CB 3.98Å; M225-I230 HydrophobicContact CB-CG1 3.99Å; M225-I230 HydrophobicContact CB-CG2 4.47Å; M225-I230 VanDerWaalsContact O-CB 3.27Å; M225-I230 WeakPolarHBondContact O-CB 3.39Å; M225-I230 WeakPolarHBondContact O-CG1 3.11Å; M225-I230 PolarHBondContact O-N 2.73Å; M225-I230 HydrophobicContact SD-CG1 4.45Å
231	Y	93.9	Very high	88	Confident	46 Å²	46	50.8 Å²	50.8	18%	0.18	24%	0.239	C	C	.	.			trans	-80.8	128.6	172.6	179	-112.5	0	0	0	110.6	F65 Y138 Q199 A202 P233	F65-Y231 AromaticContact CE1-CD1 3.55Å; F65-Y231 HydrophobicContact CE1-CD1 3.55Å; F65-Y231 HydrophobicContact CE1-CD2 4.07Å; F65-Y231 AromaticContact CE1-CE1 3.74Å; F65-Y231 HydrophobicContact CE1-CE1 3.74Å; F65-Y231 HydrophobicContact CE1-CE2 4.29Å; F65-Y231 AromaticContact CE1-CG 3.69Å; F65-Y231 HydrophobicContact CE1-CG 3.69Å; F65-Y231 AromaticContact CZ-CD1 3.33Å; F65-Y231 HydrophobicContact CZ-CD1 3.33Å; F65-Y231 HydrophobicContact CZ-CD2 4.41Å; F65-Y231 AromaticContact CZ-CE1 3.92Å; F65-Y231 HydrophobicContact CZ-CE1 3.92Å; F65-Y231 AromaticContact CZ-CG 3.59Å; F65-Y231 HydrophobicContact CZ-CG 3.59Å; Y138-Y231 AromaticContact CD1-CD2 3.61Å; Y138-Y231 HydrophobicContact CD1-CD2 3.61Å; Y138-Y231 HydrophobicContact CD1-CE2 4.34Å; Y138-Y231 HydrophobicContact CD1-CG 4.36Å; Y138-Y231 HydrophobicContact CD2-CD2 4.08Å; Y138-Y231 HydrophobicContact CD2-CG 4.35Å; Y138-Y231 HydrophobicContact CE1-CD2 4.13Å; Y138-Y231 HydrophobicContact CE1-CG 4.5Å; Y138-Y231 AromaticContact CG-CD2 3.56Å; Y138-Y231 HydrophobicContact CG-CD2 3.56Å; Y138-Y231 HydrophobicContact CG-CG 4.27Å; Q199-Y231 PolarHBondContact NE2-O 3.35Å; A202-Y231 WeakPolarHBondContact CB-O 3.42Å; Y231-P233 HydrophobicContact CE1-CB 3.81Å; Y231-P233 HydrophobicContact CE1-CG 4.48Å
232	I	93.1	Very high	86.7	Confident	19 Å²	19	57 Å²	57	10%	0.097	27%	0.268	C	S	.	.			trans	-116.1	112	174.8	-52.3	167.7	0	0	0	107.3	A202 L207 F210 Q222 V226	A202-I232 HydrophobicContact CB-CG1 4.16Å; L207-I232 HydrophobicContact CB-CG2 4.23Å; L207-I232 HydrophobicContact CD1-CG2 4.13Å; F210-I232 HydrophobicContact CB-CG2 4.39Å; F210-I232 HydrophobicContact CD1-CD1 3.52Å; F210-I232 HydrophobicContact CD1-CG1 3.7Å; F210-I232 HydrophobicContact CD1-CG2 4.23Å; F210-I232 HydrophobicContact CE1-CD1 3.69Å; F210-I232 HydrophobicContact CE1-CG1 3.84Å; Q222-I232 HydrophobicContact CB-CD1 4.03Å; Q222-I232 HydrophobicContact CG-CD1 4.05Å; V226-I232 HydrophobicContact CG2-CD1 3.47Å; V226-I232 VanDerWaalsContact CG2-CD1 3.47Å; V226-I232 HydrophobicContact CG2-CG1 4.13Å
233	P	88.5	Confident	84.9	Confident	8 Å²	8	60.2 Å²	60.2	5%	0.052	30%	0.299	C	S	.	.			trans	-74.8	137.7	-179.9	30.2	-33.4	0	0	0	111.5	A202 G206 L207 Y231 R235	A202-P233 WeakPolarHBondContact O-CD 3.27Å; G206-P233 WeakPolarHBondContact CA-O 3.3Å; L207-P233 PolarHBondContact N-O 3.13Å; Y231-P233 HydrophobicContact CE1-CB 3.81Å; Y231-P233 HydrophobicContact CE1-CG 4.48Å; P233-R235 VanDerWaalsContact C-N 3.26Å; P233-R235 HydrophobicContact CB-CG 4.03Å; P233-R235 HydrophobicContact CG-CG 4.18Å; P233-R235 PolarHBondContact O-N 3.29Å
234	E	86.3	Confident	83.3	Confident	171 Å²	171	59.6 Å²	59.6	80%	0.799	30%	0.3	S	S	*	.	S	Bend	trans	-79.1	72.9	174.1	-58.8	-166.9	-165.9	0	0	110.8	L207	L207-E234 HydrophobicContact CD2-CG 4.09Å
235	R	81.4	Confident	81.3	Confident	92 Å²	92	59.8 Å²	59.8	35%	0.347	31%	0.307	S	S	.	.	S	Bend	trans	-147.1	164.2	176	61.9	176.2	-174.5	-174.4	-3.3	110.5	H203 P233	H203-R235 PolarHBondContact CD2-NH2 3.08Å; H203-R235 PolarHBondContact CE1-NH2 3.45Å; H203-R235 PolarHBondContact NE2-NH2 3.15Å; H203-R235 PolarHBondContact O-NH2 3.15Å; P233-R235 VanDerWaalsContact C-N 3.26Å; P233-R235 HydrophobicContact CB-CG 4.03Å; P233-R235 HydrophobicContact CG-CG 4.18Å; P233-R235 PolarHBondContact O-N 3.29Å
236	D	78.6	Confident	79.5	Confident	85 Å²	85	64.3 Å²	64.3	46%	0.455	32%	0.324	S	S	.	.			trans	-58.1	153.8	166.2	-72.3	-37	0	0	0	110.7	S238 E240 L241	D236-S238 PolarHBondContact O-N 3.5Å; D236-E240 HydrophobicContact CB-CB 4.34Å; D236-L241 HydrophobicContact CB-CD2 4.33Å
237	A	81.6	Confident	77.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.335	C	S	.	.			trans	-59.1	142.5	177.5	0	0	0	0	0	110.3	S204 A205 F209 W239 E240	S204-A237 CarbonylContact O-C 3.47Å; S204-A237 WeakPolarHBondContact O-CA 3.46Å; A205-A237 WeakPolarHBondContact O-CB 3.04Å; F209-A237 HydrophobicContact CD2-CB 3.72Å; F209-A237 HydrophobicContact CE2-CB 4.26Å; F209-A237 HydrophobicContact CG-CB 4.43Å; A237-W239 HydrophobicContact CB-CD2 3.55Å; A237-W239 HydrophobicContact CB-CE3 3.92Å; A237-W239 HydrophobicContact CB-CG 4.17Å; A237-W239 HydrophobicContact CB-CH2 3.77Å; A237-W239 HydrophobicContact CB-CZ2 3.33Å; A237-W239 HydrophobicContact CB-CZ3 4.02Å; A237-W239 PolarHBondContact O-N 3.07Å; A237-W239 VanDerWaalsContact O-N 3.08Å; A237-E240 HydrophobicContact CB-CG 4.24Å; A237-E240 WeakPolarHBondContact O-CB 3.48Å; A237-E240 PolarHBondContact O-N 3.33Å
238	S	81.3	Confident	76.4	Confident	35 Å²	35	68.9 Å²	68.9	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-50.7	-36.6	-179.8	46.5	0	0	0	0	113.3	S204 D236 E240 L241	S204-S238 WeakPolarHBondContact CA-OG 3.27Å; S204-S238 PolarHBondContact O-N 2.88Å; S204-S238 PolarHBondContact O-OG 3.26Å; S204-S238 PolarHBondContact OG-OG 2.6Å; D236-S238 PolarHBondContact O-N 3.5Å; S238-E240 VanDerWaalsContact C-N 3.31Å; S238-E240 PolarHBondContact O-N 3.2Å; S238-L241 PolarHBondContact O-N 2.94Å
239	W	75.9	Confident	74.7	Confident	91 Å²	91	75.2 Å²	75.2	35%	0.345	39%	0.387	S	S	.	.	H	α-helix	trans	-73.5	-14.3	177.9	60.3	77.5	0	0	0	114.7	S204 A205 F209 A237 L241 A245	S204-W239 WeakPolarHBondContact OG-CZ3 3.46Å; A205-W239 HydrophobicContact CB-CH2 3.56Å; A205-W239 HydrophobicContact CB-CZ3 4.08Å; F209-W239 HydrophobicContact CB-CH2 4.35Å; F209-W239 HydrophobicContact CB-CZ2 3.96Å; F209-W239 HydrophobicContact CG-CZ2 4.22Å; A237-W239 HydrophobicContact CB-CD2 3.55Å; A237-W239 HydrophobicContact CB-CE3 3.92Å; A237-W239 HydrophobicContact CB-CG 4.17Å; A237-W239 HydrophobicContact CB-CH2 3.77Å; A237-W239 HydrophobicContact CB-CZ2 3.33Å; A237-W239 HydrophobicContact CB-CZ3 4.02Å; A237-W239 PolarHBondContact O-N 3.07Å; A237-W239 VanDerWaalsContact O-N 3.08Å; W239-L241 VanDerWaalsContact C-N 3.35Å; W239-A245 WeakPolarHBondContact O-CB 3.27Å
240	E	72	Confident	73.1	Confident	82 Å²	82	81.9 Å²	81.9	38%	0.383	42%	0.42	S	S	.	.	H	α-helix	trans	-80.9	-20.9	171.3	-62.7	-71.9	178.5	0	0	111.8	F209 D236 A237 S238 Y246	F209-E240 HydrophobicContact CE2-CG 4.39Å; D236-E240 HydrophobicContact CB-CB 4.34Å; A237-E240 HydrophobicContact CB-CG 4.24Å; A237-E240 WeakPolarHBondContact O-CB 3.48Å; A237-E240 PolarHBondContact O-N 3.33Å; S238-E240 VanDerWaalsContact C-N 3.31Å; S238-E240 PolarHBondContact O-N 3.2Å; E240-Y246 PolarHBondContact OE1-OH 3.03Å; E240-Y246 WeakPolarHBondContact OE2-CE2 3.43Å; E240-Y246 PolarHBondContact OE2-OH 3.17Å
241	L	66.6	Low	71.5	Confident	112 Å²	112	89.3 Å²	89.3	59%	0.586	46%	0.455	S	S	*	.	H	α-helix	trans	-92.9	-12.4	-175.9	-58.6	175.3	0	0	0	112.6	D236 S238 W239 A243	D236-L241 HydrophobicContact CB-CD2 4.33Å; S238-L241 PolarHBondContact O-N 2.94Å; W239-L241 VanDerWaalsContact C-N 3.35Å; L241-A243 PolarHBondContact O-N 3.03Å
242	E	66.7	Low	70.3	Confident	130 Å²	130	91.3 Å²	91.3	61%	0.607	47%	0.472	S	S	*	.	S	Bend	trans	-78	118.8	177	-78.8	179.9	-168.3	0	0	111	N244 A245	E242-N244 PolarHBondContact O-N 3.24Å; E242-A245 HydrophobicContact CB-CB 3.84Å; E242-A245 WeakPolarHBondContact O-CB 3.4Å; E242-A245 PolarHBondContact O-N 3.35Å
243	A	57.3	Low	69.7	Low	93 Å²	93	94.2 Å²	94.2	77%	0.769	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	124.2	174.6	0	0	0	0	0	109.8	L241	L241-A243 PolarHBondContact O-N 3.03Å
244	N	61.9	Low	69.5	Low	130 Å²	130	97.9 Å²	97.9	70%	0.695	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	19.5	-173.9	-49.7	-51.3	0	0	0	115.8	E242 Y246 S247	E242-N244 PolarHBondContact O-N 3.24Å; N244-Y246 PolarHBondContact O-N 2.83Å; N244-S247 WeakPolarHBondContact O-CB 3.4Å; N244-S247 PolarHBondContact O-N 3.02Å; N244-S247 PolarHBondContact O-OG 2.86Å
245	A	52.7	Low	69.7	Low	34 Å²	34	92.5 Å²	92.5	28%	0.281	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-24.9	177.2	0	0	0	0	0	114.9	W239 E242	W239-A245 WeakPolarHBondContact O-CB 3.27Å; E242-A245 HydrophobicContact CB-CB 3.84Å; E242-A245 WeakPolarHBondContact O-CB 3.4Å; E242-A245 PolarHBondContact O-N 3.35Å
246	Y	57.4	Low	70.2	Confident	95 Å²	95	88.1 Å²	88.1	37%	0.373	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	7.2	-179.5	-52.6	-61.6	0	0	0	114.1	E240 N244 E248 L249 L250	E240-Y246 PolarHBondContact OE1-OH 3.03Å; E240-Y246 WeakPolarHBondContact OE2-CE2 3.43Å; E240-Y246 PolarHBondContact OE2-OH 3.17Å; N244-Y246 PolarHBondContact O-N 2.83Å; Y246-E248 PolarHBondContact O-N 3.5Å; Y246-L249 HydrophobicContact CD1-CD1 3.48Å; Y246-L249 VanDerWaalsContact CD1-CD1 3.48Å; Y246-L249 HydrophobicContact CD1-CG 4.38Å; Y246-L249 HydrophobicContact CE1-CD1 4.28Å; Y246-L249 HydrophobicContact CG-CD1 4.27Å; Y246-L249 WeakPolarHBondContact O-CB 3.43Å; Y246-L249 PolarHBondContact O-N 2.95Å; Y246-L250 PolarHBondContact O-N 3.06Å
247	S	61.8	Low	70.8	Confident	58 Å²	58	85.8 Å²	85.8	41%	0.406	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-35.1	179.2	58.7	0	0	0	0	111.8	N244 L249 L250 E251	N244-S247 WeakPolarHBondContact O-CB 3.4Å; N244-S247 PolarHBondContact O-N 3.02Å; N244-S247 PolarHBondContact O-OG 2.86Å; S247-L249 VanDerWaalsContact C-N 3.33Å; S247-L250 WeakPolarHBondContact O-CB 3.5Å; S247-L250 PolarHBondContact O-N 3.04Å; S247-L250 VanDerWaalsContact O-N 3.13Å; S247-E251 PolarHBondContact O-N 3.41Å
248	E	62.4	Low	71	Confident	154 Å²	154	86.8 Å²	86.8	72%	0.72	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-69	-29.1	175	-62	-177.4	-177.1	0	0	112.3	Y246 L250 E251	Y246-E248 PolarHBondContact O-N 3.5Å; E248-L250 PolarHBondContact O-N 3.08Å; E248-E251 WeakPolarHBondContact O-CB 3.35Å; E248-E251 PolarHBondContact O-N 3.39Å
249	L	59.8	Low	71.2	Confident	139 Å²	139	91.8 Å²	91.8	73%	0.728	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-69.5	-18.4	172.1	-63.7	-177.5	0	0	0	112.8	Y246 S247	Y246-L249 HydrophobicContact CD1-CD1 3.48Å; Y246-L249 VanDerWaalsContact CD1-CD1 3.48Å; Y246-L249 HydrophobicContact CD1-CG 4.38Å; Y246-L249 HydrophobicContact CE1-CD1 4.28Å; Y246-L249 HydrophobicContact CG-CD1 4.27Å; Y246-L249 WeakPolarHBondContact O-CB 3.43Å; Y246-L249 PolarHBondContact O-N 2.95Å; S247-L249 VanDerWaalsContact C-N 3.33Å
250	L	60	Low	71.8	Confident	145 Å²	145	93.1 Å²	93.1	76%	0.759	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-86.5	-13.4	171.5	-59.5	172.5	0	0	0	112	Y246 S247 E248 V252	Y246-L250 PolarHBondContact O-N 3.06Å; S247-L250 WeakPolarHBondContact O-CB 3.5Å; S247-L250 PolarHBondContact O-N 3.04Å; S247-L250 VanDerWaalsContact O-N 3.13Å; E248-L250 PolarHBondContact O-N 3.08Å; L250-V252 PolarHBondContact O-N 2.99Å; L250-V252 VanDerWaalsContact O-N 3.11Å
251	E	61.8	Low	72.8	Confident	156 Å²	156	90.7 Å²	90.7	73%	0.729	49%	0.487	S	S	*	.			trans	-73.8	102	172.8	-68.4	-164.1	164.8	0	0	110	S247 E248 Y253	S247-E251 PolarHBondContact O-N 3.41Å; E248-E251 WeakPolarHBondContact O-CB 3.35Å; E248-E251 PolarHBondContact O-N 3.39Å; E251-Y253 PolarHBondContact O-N 3.4Å
252	V	70.1	Confident	73.9	Confident	89 Å²	89	89.1 Å²	89.1	54%	0.539	48%	0.479	S	S	.	.			trans	-74.7	113.8	175	179.5	0	0	0	0	108.5	L250 N254	L250-V252 PolarHBondContact O-N 2.99Å; L250-V252 VanDerWaalsContact O-N 3.11Å; V252-N254 PolarHBondContact O-N 3.27Å; V252-N254 VanDerWaalsContact O-N 3.11Å
253	Y	79.7	Confident	75	Confident	79 Å²	79	83.5 Å²	83.5	31%	0.31	45%	0.454	S	S	.	.			trans	-48.4	118.9	175	-168.7	-91.8	0	0	0	111.3	E251 H255 D257 R279	E251-Y253 PolarHBondContact O-N 3.4Å; Y253-H255 HydrophobicContact CE1-CB 3.89Å; Y253-H255 VanDerWaalsContact CE1-O 3.32Å; Y253-H255 WeakPolarHBondContact CE1-O 3.31Å; Y253-H255 HydrophobicContact CE2-CB 4.48Å; Y253-D257 VanDerWaalsContact CE1-OD2 3.24Å; Y253-D257 WeakPolarHBondContact CE1-OD2 3.31Å; Y253-D257 PolarHBondContact OH-OD1 2.72Å; Y253-D257 PolarHBondContact OH-OD2 3.01Å; Y253-R279 WeakPolarHBondContact O-CD 3.43Å
254	N	83.9	Confident	76.4	Confident	85 Å²	85	86.8 Å²	86.8	46%	0.455	46%	0.459	S	S	.	.			trans	-129.6	23.8	-169.4	64.8	5.4	0	0	0	113.2	V252 T268	V252-N254 PolarHBondContact O-N 3.27Å; V252-N254 VanDerWaalsContact O-N 3.11Å; N254-T268 WeakPolarHBondContact O-CA 3.34Å
255	H	90.2	Very high	77.6	Confident	58 Å²	58	87.1 Å²	87.1	27%	0.269	46%	0.456	S	S	.	.			trans	-103.4	140.3	-179.2	-176.8	-93.2	0	0	0	112.5	Y253 D257 R267 G287	Y253-H255 HydrophobicContact CE1-CB 3.89Å; Y253-H255 VanDerWaalsContact CE1-O 3.32Å; Y253-H255 WeakPolarHBondContact CE1-O 3.31Å; Y253-H255 HydrophobicContact CE2-CB 4.48Å; H255-D257 IonicContact CE1-OD1 3.49Å; H255-D257 PolarHBondContact CE1-OD1 3.45Å; H255-D257 IonicContact CG-OD1 3.94Å; H255-D257 IonicContact ND1-OD1 2.78Å; H255-D257 PolarHBondContact ND1-OD1 3.37Å; H255-R267 CarbonylContact C-O 3.55Å; H255-R267 WeakPolarHBondContact CA-O 3.4Å; H255-R267 VanDerWaalsContact CD2-CB 3.49Å; H255-R267 WeakPolarHBondContact CD2-CB 3.31Å; H255-R267 WeakPolarHBondContact NE2-CB 3.17Å; H255-R267 WeakPolarHBondContact NE2-CD 3.36Å; H255-G287 CarbonylContact O-C 3.39Å; H255-G287 WeakPolarHBondContact O-CA 3.49Å
256	C	91.9	Very high	79.3	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	46%	0.457	C	S	.	.			trans	-88.7	108.7	173.3	-178.6	0	0	0	0	111.4	R267 H289	C256-R267 HydrophobicContact CB-CB 4.39Å; C256-R267 PolarHBondContact N-O 3.1Å; C256-R267 PolarHBondContact O-NH1 3.08Å; C256-H289 VanDerWaalsContact CB-CE1 3.48Å; C256-H289 WeakPolarHBondContact CB-CE1 3.28Å; C256-H289 WeakPolarHBondContact CB-ND1 3.34Å; C256-H289 PolarHBondContact SG-N 2.88Å; C256-H289 PolarHBondContact SG-ND1 2.9Å; C256-H289 VanDerWaalsContact SG-ND1 3.36Å
257	D	92	Very high	80.9	Confident	36 Å²	36	86.7 Å²	86.7	19%	0.193	46%	0.456	C	S	.	.			trans	-91.5	6	-179.4	-56.6	-47.5	0	0	0	113.5	Y253 H255 V259 R286 G287	Y253-D257 VanDerWaalsContact CE1-OD2 3.24Å; Y253-D257 WeakPolarHBondContact CE1-OD2 3.31Å; Y253-D257 PolarHBondContact OH-OD1 2.72Å; Y253-D257 PolarHBondContact OH-OD2 3.01Å; H255-D257 IonicContact CE1-OD1 3.49Å; H255-D257 PolarHBondContact CE1-OD1 3.45Å; H255-D257 IonicContact CG-OD1 3.94Å; H255-D257 IonicContact ND1-OD1 2.78Å; H255-D257 PolarHBondContact ND1-OD1 3.37Å; D257-V259 PolarHBondContact O-N 3.17Å; D257-R286 WeakPolarHBondContact OD2-CA 3.23Å; D257-G287 WeakPolarHBondContact CB-O 3.2Å; D257-G287 PolarHBondContact N-O 2.66Å; D257-G287 PolarHBondContact OD2-N 3.31Å
258	S	86.1	Confident	82.2	Confident	22 Å²	22	88 Å²	88	15%	0.154	46%	0.462	C	S	.	.			trans	-58.1	137.1	171.8	-175.8	0	0	0	0	109.8	I260 R267 C292	S258-I260 PolarHBondContact O-N 2.85Å; S258-I260 VanDerWaalsContact O-N 3.12Å; S258-I260 PolarHBondContact OG-O 3.08Å; S258-R267 PolarHBondContact O-NH1 2.83Å; S258-C292 PolarHBondContact OG-O 3.24Å
259	V	85.4	Confident	83.5	Confident	139 Å²	139	84.6 Å²	84.6	84%	0.842	44%	0.443	S	S	*	.	S	Bend	trans	-51.9	-39.5	179.4	-179.3	0	0	0	0	110	D257	D257-V259 PolarHBondContact O-N 3.17Å
260	I	88.6	Confident	84.9	Confident	119 Å²	119	80.8 Å²	80.8	61%	0.61	43%	0.428	S	S	*	.	S	Bend	trans	-117.8	113.6	175.9	-55.7	175.8	0	0	0	108.8	S258 L262	S258-I260 PolarHBondContact O-N 2.85Å; S258-I260 VanDerWaalsContact O-N 3.12Å; S258-I260 PolarHBondContact OG-O 3.08Å; I260-L262 HydrophobicContact CG2-CD2 4.12Å
261	C	91.7	Very high	86.2	Confident	31 Å²	31	80.3 Å²	80.3	21%	0.209	42%	0.42	C	S	.	.			trans	-91.3	124.3	173.5	-174.4	0	0	0	0	110.2	R267	C261-R267 HydrophobicContact CB-CG 3.96Å
262	L	89.9	Confident	87.3	Confident	79 Å²	79	81.9 Å²	81.9	41%	0.414	42%	0.424	S	S	.	.			trans	-94.3	7.9	178.6	-57.9	177.6	0	0	0	112.8	I260 F275 K291 C292	I260-L262 HydrophobicContact CG2-CD2 4.12Å; L262-F275 VanDerWaalsContact O-CE1 3.32Å; L262-F275 WeakPolarHBondContact O-CE1 3.23Å; L262-K291 HydrophobicContact CD1-CD 4.49Å; L262-K291 HydrophobicContact CD1-CG 4.09Å; L262-K291 WeakPolarHBondContact CD1-O 3.29Å; L262-C292 PolarHBondContact N-SG 3Å
263	C	89.6	Confident	88.1	Confident	13 Å²	13	78.8 Å²	78.8	9%	0.088	41%	0.41	C	S	.	.			trans	-93	120.9	-178.7	-167	0	0	0	0	110.9	E265 G266 F275 H289	C263-E265 VanDerWaalsContact C-N 3.3Å; C263-E265 PolarHBondContact O-N 3.41Å; C263-G266 PolarHBondContact O-N 3.04Å; C263-F275 HydrophobicContact CB-CD1 3.63Å; C263-F275 HydrophobicContact CB-CE1 3.85Å; C263-H289 VanDerWaalsContact CB-CE1 3.46Å; C263-H289 WeakPolarHBondContact CB-CE1 3.22Å
264	N	87.7	Confident	88.5	Confident	161 Å²	161	80.9 Å²	80.9	86%	0.861	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-21.5	-179.8	-63.7	-4.8	0	0	0	113	G266	N264-G266 PolarHBondContact O-N 3.31Å
265	E	87.8	Confident	88.8	Confident	137 Å²	137	79.6 Å²	79.6	64%	0.64	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	3.1	178.5	-57.9	-60.3	142.5	0	0	112.6	C263 Y269	C263-E265 VanDerWaalsContact C-N 3.3Å; C263-E265 PolarHBondContact O-N 3.41Å; E265-Y269 HydrophobicContact CB-CD1 3.74Å; E265-Y269 HydrophobicContact CB-CD2 3.69Å; E265-Y269 HydrophobicContact CB-CE1 4.25Å; E265-Y269 HydrophobicContact CB-CE2 4.23Å; E265-Y269 HydrophobicContact CB-CG 3.41Å; E265-Y269 VanDerWaalsContact CB-CG 3.41Å; E265-Y269 HydrophobicContact CG-CD1 4.15Å; E265-Y269 HydrophobicContact CG-CD2 4.17Å; E265-Y269 HydrophobicContact CG-CE1 4.14Å; E265-Y269 HydrophobicContact CG-CE2 4.19Å; E265-Y269 HydrophobicContact CG-CG 4.14Å
266	G	87.4	Confident	88.9	Confident	30 Å²	30	79.3 Å²	79.3	31%	0.309	41%	0.407	S	S	.	.			trans	94.4	176.6	179	0	0	0	0	0	114.3	C263 N264	C263-G266 PolarHBondContact O-N 3.04Å; N264-G266 PolarHBondContact O-N 3.31Å
267	R	91.2	Very high	88.9	Confident	90 Å²	90	80 Å²	80	34%	0.34	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-23.7	-169.6	-66.3	178	174.4	-88.9	2	114	H255 C256 S258 C261	H255-R267 CarbonylContact C-O 3.55Å; H255-R267 WeakPolarHBondContact CA-O 3.4Å; H255-R267 VanDerWaalsContact CD2-CB 3.49Å; H255-R267 WeakPolarHBondContact CD2-CB 3.31Å; H255-R267 WeakPolarHBondContact NE2-CB 3.17Å; H255-R267 WeakPolarHBondContact NE2-CD 3.36Å; C256-R267 HydrophobicContact CB-CB 4.39Å; C256-R267 PolarHBondContact N-O 3.1Å; C256-R267 PolarHBondContact O-NH1 3.08Å; S258-R267 PolarHBondContact O-NH1 2.83Å; C261-R267 HydrophobicContact CB-CG 3.96Å
268	T	88.9	Confident	88.9	Confident	87 Å²	87	78.7 Å²	78.7	53%	0.534	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.8	178.6	51.2	0	0	0	0	113.3	N254 S270	N254-T268 WeakPolarHBondContact O-CA 3.34Å; T268-S270 PolarHBondContact O-N 3.29Å
269	Y	90.1	Very high	89.1	Confident	81 Å²	81	83.2 Å²	83.2	32%	0.318	42%	0.418	S	S	.	.			trans	-73.1	124.8	176.4	178	-99.3	0	0	0	110.1	E265 K271 F275 H289	E265-Y269 HydrophobicContact CB-CD1 3.74Å; E265-Y269 HydrophobicContact CB-CD2 3.69Å; E265-Y269 HydrophobicContact CB-CE1 4.25Å; E265-Y269 HydrophobicContact CB-CE2 4.23Å; E265-Y269 HydrophobicContact CB-CG 3.41Å; E265-Y269 VanDerWaalsContact CB-CG 3.41Å; E265-Y269 HydrophobicContact CG-CD1 4.15Å; E265-Y269 HydrophobicContact CG-CD2 4.17Å; E265-Y269 HydrophobicContact CG-CE1 4.14Å; E265-Y269 HydrophobicContact CG-CE2 4.19Å; E265-Y269 HydrophobicContact CG-CG 4.14Å; Y269-K271 HydrophobicContact CE1-CB 3.95Å; Y269-K271 VanDerWaalsContact OH-CD 3.23Å; Y269-K271 WeakPolarHBondContact OH-CD 3.36Å; Y269-F275 HydrophobicContact CD1-CB 4.36Å; Y269-F275 HydrophobicContact CE1-CB 4.28Å; Y269-H289 PolarHBondContact O-NE2 3.31Å
270	S	88.7	Confident	89.3	Confident	59 Å²	59	76.8 Å²	76.8	41%	0.413	38%	0.378	S	S	.	.			trans	-133.7	120.3	176.5	-170.7	0	0	0	0	110.5	T268 F275 V277	T268-S270 PolarHBondContact O-N 3.29Å; S270-F275 WeakPolarHBondContact CA-O 3.3Å; S270-V277 PolarHBondContact OG-N 2.96Å; S270-V277 VanDerWaalsContact OG-N 3.08Å
271	K	86.9	Confident	89.2	Confident	135 Å²	135	74.1 Å²	74.1	59%	0.587	37%	0.37	S	S	*	.			trans	-141.8	139.9	175.2	-174.5	175.3	-179	177	0	110	Y269 G273 F275 E276	Y269-K271 HydrophobicContact CE1-CB 3.95Å; Y269-K271 VanDerWaalsContact OH-CD 3.23Å; Y269-K271 WeakPolarHBondContact OH-CD 3.36Å; K271-G273 PolarHBondContact O-N 2.99Å; K271-F275 PolarHBondContact N-O 3.42Å; K271-F275 VanDerWaalsContact N-O 3.07Å; K271-F275 CarbonylContact O-C 3.24Å; K271-F275 VanDerWaalsContact O-C 3.24Å; K271-E276 WeakPolarHBondContact O-CA 3.37Å; K271-E276 WeakPolarHBondContact O-CB 3.03Å; K271-E276 PolarHBondContact O-N 2.86Å
272	K	84.9	Confident	88.7	Confident	190 Å²	190	76.4 Å²	76.4	83%	0.826	38%	0.379	S	S	*	.	S	Bend	trans	-45.9	129.6	178	-74.8	-170.8	174.9	-175.9	0	111.6
273	G	87.2	Confident	88.5	Confident	23 Å²	23	75.1 Å²	75.1	24%	0.237	38%	0.376	C	S	.	.	S	Bend	trans	120.9	-146.8	-175.6	0	0	0	0	0	112.8	K271 F275 E276 R290	K271-G273 PolarHBondContact O-N 2.99Å; G273-F275 VanDerWaalsContact C-N 3.26Å; G273-F275 PolarHBondContact O-N 2.99Å; G273-E276 PolarHBondContact O-N 3.18Å; G273-R290 PolarHBondContact O-NH1 3.44Å
274	W	88.9	Confident	88.2	Confident	124 Å²	124	75.8 Å²	75.8	47%	0.47	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.3	-176.3	-70.5	112.9	0	0	0	114.9	R290 K291 L295 L297	W274-R290 PolarHBondContact O-N 3.37Å; W274-K291 HydrophobicContact CB-CB 4.3Å; W274-K291 PolarHBondContact O-N 3.35Å; W274-L295 WeakPolarHBondContact CZ3-O 3.4Å; W274-L297 HydrophobicContact CD2-CD1 4.44Å; W274-L297 HydrophobicContact CD2-CD2 3.75Å; W274-L297 HydrophobicContact CD2-CG 3.84Å; W274-L297 VanDerWaalsContact CE2-CG 3.43Å; W274-L297 HydrophobicContact CE3-CD2 4.33Å; W274-L297 HydrophobicContact CE3-CG 4.13Å; W274-L297 HydrophobicContact CG-CD2 3.98Å; W274-L297 HydrophobicContact CH2-CD1 4Å; W274-L297 HydrophobicContact CH2-CG 3.73Å; W274-L297 HydrophobicContact CZ2-CD1 3.3Å; W274-L297 HydrophobicContact CZ2-CD2 4.16Å; W274-L297 HydrophobicContact CZ2-CG 3.4Å; W274-L297 HydrophobicContact CZ3-CG 4.08Å
275	F	90.5	Very high	88.1	Confident	57 Å²	57	72 Å²	72	25%	0.25	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	30.7	-178.9	-61.4	-69.3	0	0	0	112	L262 C263 Y269 S270 K271 G273 H289 K291	L262-F275 VanDerWaalsContact O-CE1 3.32Å; L262-F275 WeakPolarHBondContact O-CE1 3.23Å; C263-F275 HydrophobicContact CB-CD1 3.63Å; C263-F275 HydrophobicContact CB-CE1 3.85Å; Y269-F275 HydrophobicContact CD1-CB 4.36Å; Y269-F275 HydrophobicContact CE1-CB 4.28Å; S270-F275 WeakPolarHBondContact CA-O 3.3Å; K271-F275 PolarHBondContact N-O 3.42Å; K271-F275 VanDerWaalsContact N-O 3.07Å; K271-F275 CarbonylContact O-C 3.24Å; K271-F275 VanDerWaalsContact O-C 3.24Å; G273-F275 VanDerWaalsContact C-N 3.26Å; G273-F275 PolarHBondContact O-N 2.99Å; F275-H289 PolarHBondContact O-CD2 3.26Å; F275-K291 HydrophobicContact CE1-CB 4.35Å; F275-K291 HydrophobicContact CE1-CD 3.94Å; F275-K291 HydrophobicContact CZ-CD 3.73Å
276	E	91.3	Very high	88.1	Confident	52 Å²	52	69.5 Å²	69.5	24%	0.243	36%	0.356	C	S	.	.			trans	-83.5	130	165.2	-169.7	174.1	165	0	0	108.5	K271 G273 I278 H289 R290	K271-E276 WeakPolarHBondContact O-CA 3.37Å; K271-E276 WeakPolarHBondContact O-CB 3.03Å; K271-E276 PolarHBondContact O-N 2.86Å; G273-E276 PolarHBondContact O-N 3.18Å; E276-I278 HydrophobicContact CG-CD1 4.19Å; E276-I278 PolarHBondContact O-N 2.63Å; E276-H289 WeakPolarHBondContact O-CA 3.5Å; E276-R290 VanDerWaalsContact CD-NH2 3.3Å; E276-R290 PolarHBondContact O-N 3.17Å; E276-R290 IonicContact OE1-NH2 3.97Å; E276-R290 IonicContact OE2-CZ 2.72Å; E276-R290 IonicContact OE2-NH1 2.77Å; E276-R290 PolarHBondContact OE2-NH1 3.09Å; E276-R290 IonicContact OE2-NH2 3.15Å; E276-R290 PolarHBondContact OE2-NH2 3.14Å
277	V	91.9	Very high	88.3	Confident	15 Å²	15	68 Å²	68	9%	0.091	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.1	175	179.1	0	0	0	0	109	S270 T288 H289	S270-V277 PolarHBondContact OG-N 2.96Å; S270-V277 VanDerWaalsContact OG-N 3.08Å; V277-T288 CarbonylContact C-O 3.57Å; V277-T288 WeakPolarHBondContact CA-O 3.48Å; V277-H289 VanDerWaalsContact CG2-CD2 3.41Å; V277-H289 WeakPolarHBondContact CG2-CD2 3.47Å; V277-H289 WeakPolarHBondContact CG2-NE2 3.45Å
278	I	91.2	Very high	88.4	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.046	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.1	174	-50.8	-55.3	0	0	0	108.1	E276 G287 T288 R290 L295 W302	E276-I278 HydrophobicContact CG-CD1 4.19Å; E276-I278 PolarHBondContact O-N 2.63Å; I278-G287 CarbonylContact O-C 3.6Å; I278-G287 VanDerWaalsContact O-CA 3.28Å; I278-G287 WeakPolarHBondContact O-CA 3.24Å; I278-T288 PolarHBondContact N-O 2.76Å; I278-T288 PolarHBondContact O-N 2.89Å; I278-R290 HydrophobicContact CD1-CG 4.11Å; I278-R290 HydrophobicContact CG1-CG 3.64Å; I278-L295 HydrophobicContact CB-CD1 4.42Å; I278-L295 HydrophobicContact CG1-CD1 4.39Å; I278-W302 HydrophobicContact CG2-CB 3.85Å
279	R	91.7	Very high	88.6	Confident	117 Å²	117	59.7 Å²	59.7	44%	0.442	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.9	179.6	-66	179.2	-66.2	165.4	-0.3	110.9	Y253 C281 R286	Y253-R279 WeakPolarHBondContact O-CD 3.43Å; R279-C281 PolarHBondContact O-N 2.82Å; R279-R286 CarbonylContact C-O 3.53Å; R279-R286 WeakPolarHBondContact CA-O 3.44Å
280	C	89.4	Confident	88.7	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.02	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-59.1	122.8	170.9	179.5	0	0	0	0	109.1	L282 C283 G284 R286 W302 C304	C280-L282 PolarHBondContact O-N 3.2Å; C280-L282 PolarHBondContact SG-N 3.26Å; C280-C283 VanDerWaalsContact CB-SG 3.54Å; C280-G284 VanDerWaalsContact O-CA 3.29Å; C280-G284 WeakPolarHBondContact O-CA 3.31Å; C280-G284 PolarHBondContact O-N 3.2Å; C280-R286 PolarHBondContact N-O 3.43Å; C280-W302 CarbonylContact C-O 3.43Å; C280-W302 VanDerWaalsContact CA-O 3.23Å; C280-W302 WeakPolarHBondContact CA-O 3.46Å; C280-W302 HydrophobicContact CB-CE3 4.18Å; C280-W302 HydrophobicContact CB-CZ3 3.94Å; C280-C304 HydrophobicContact CB-CB 4.16Å; C280-C304 PolarHBondContact SG-N 3.38Å
281	C	86.4	Confident	88.7	Confident	63 Å²	63	58.1 Å²	58.1	43%	0.426	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.5	180	62.5	0	0	0	0	113.3	R279 W302 L317	R279-C281 PolarHBondContact O-N 2.82Å; C281-W302 PolarHBondContact N-O 3.37Å; C281-W302 PolarHBondContact SG-O 3.35Å; C281-W302 VanDerWaalsContact SG-O 3.4Å; C281-L317 WeakPolarHBondContact SG-CD2 3.42Å
282	L	81.9	Confident	88.9	Confident	79 Å²	79	52.3 Å²	52.3	41%	0.414	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-51.3	-178.6	-61.3	176.2	0	0	0	112.1	C280 A303 C307 T311 A315	C280-L282 PolarHBondContact O-N 3.2Å; C280-L282 PolarHBondContact SG-N 3.26Å; L282-A303 HydrophobicContact CD1-CB 4.04Å; L282-A303 HydrophobicContact CG-CB 4.48Å; L282-C307 HydrophobicContact CB-CB 3.88Å; L282-C307 HydrophobicContact CD1-CB 3.61Å; L282-C307 HydrophobicContact CG-CB 4.34Å; L282-T311 HydrophobicContact CD1-CG2 4.27Å; L282-A315 HydrophobicContact CD1-CB 4.41Å
283	C	84.5	Confident	89.1	Confident	52 Å²	52	45.1 Å²	45.1	35%	0.351	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-21.5	-177.8	67.4	0	0	0	0	114.6	C280 S285	C280-C283 VanDerWaalsContact CB-SG 3.54Å; C283-S285 PolarHBondContact O-N 2.85Å; C283-S285 PolarHBondContact O-OG 3.08Å
284	G	84.6	Confident	89.1	Confident	28 Å²	28	51.3 Å²	51.3	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	66.3	-16.2	-173.5	0	0	0	0	0	115.6	C280	C280-G284 VanDerWaalsContact O-CA 3.29Å; C280-G284 WeakPolarHBondContact O-CA 3.31Å; C280-G284 PolarHBondContact O-N 3.2Å
285	S	83.8	Confident	89.1	Confident	80 Å²	80	46.7 Å²	46.7	56%	0.559	25%	0.25	S	C	*	.	S	Bend	trans	-91.6	0.5	-172.1	-40.3	0	0	0	0	115.2	C283	C283-S285 PolarHBondContact O-N 2.85Å; C283-S285 PolarHBondContact O-OG 3.08Å
286	R	89.1	Confident	89	Confident	85 Å²	85	51.3 Å²	51.3	32%	0.321	27%	0.269	S	S	.	.			trans	-126.5	150.6	170.4	-54.4	-162.8	87.5	-175.1	2.4	109.9	D257 R279 C280 W302 C304 D306	D257-R286 WeakPolarHBondContact OD2-CA 3.23Å; R279-R286 CarbonylContact C-O 3.53Å; R279-R286 WeakPolarHBondContact CA-O 3.44Å; C280-R286 PolarHBondContact N-O 3.43Å; R286-W302 HydrophobicContact CB-CH2 4.32Å; R286-W302 HydrophobicContact CB-CZ3 4.43Å; R286-C304 HydrophobicContact CB-CB 4.01Å; R286-C304 HydrophobicContact CG-CB 4.34Å; R286-D306 WeakPolarHBondContact CD-OD2 3.39Å; R286-D306 IonicContact CZ-OD2 2.89Å; R286-D306 IonicContact NE-OD2 3.6Å; R286-D306 IonicContact NH1-OD1 2.65Å; R286-D306 IonicContact NH1-OD2 3.18Å; R286-D306 PolarHBondContact NH1-OD2 2.91Å
287	G	91.8	Very high	88.7	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.1	-179.6	0	0	0	0	0	112.4	H255 D257 I278	H255-G287 CarbonylContact O-C 3.39Å; H255-G287 WeakPolarHBondContact O-CA 3.49Å; D257-G287 WeakPolarHBondContact CB-O 3.2Å; D257-G287 PolarHBondContact N-O 2.66Å; D257-G287 PolarHBondContact OD2-N 3.31Å; I278-G287 CarbonylContact O-C 3.6Å; I278-G287 VanDerWaalsContact O-CA 3.28Å; I278-G287 WeakPolarHBondContact O-CA 3.24Å
288	T	92.6	Very high	88.3	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	145	170.8	-169.9	0	0	0	0	110.5	V277 I278 S293 L295 W302	V277-T288 CarbonylContact C-O 3.57Å; V277-T288 WeakPolarHBondContact CA-O 3.48Å; I278-T288 PolarHBondContact N-O 2.76Å; I278-T288 PolarHBondContact O-N 2.89Å; T288-S293 WeakPolarHBondContact CB-OG 3.29Å; T288-S293 WeakPolarHBondContact CG2-OG 2.98Å; T288-S293 PolarHBondContact OG1-OG 3.21Å; T288-L295 HydrophobicContact CG2-CD1 3.93Å; T288-W302 HydrophobicContact CG2-CD2 3.64Å; T288-W302 HydrophobicContact CG2-CE3 3.95Å; T288-W302 HydrophobicContact CG2-CG 4.16Å; T288-W302 HydrophobicContact CG2-CH2 4.07Å; T288-W302 HydrophobicContact CG2-CZ2 3.76Å; T288-W302 HydrophobicContact CG2-CZ3 4.16Å
289	H	93.8	Very high	87.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.7	165	-63.5	122.9	0	0	0	109.3	C256 C263 Y269 F275 E276 V277 K291 C292 S293	C256-H289 VanDerWaalsContact CB-CE1 3.48Å; C256-H289 WeakPolarHBondContact CB-CE1 3.28Å; C256-H289 WeakPolarHBondContact CB-ND1 3.34Å; C256-H289 PolarHBondContact SG-N 2.88Å; C256-H289 PolarHBondContact SG-ND1 2.9Å; C256-H289 VanDerWaalsContact SG-ND1 3.36Å; C263-H289 VanDerWaalsContact CB-CE1 3.46Å; C263-H289 WeakPolarHBondContact CB-CE1 3.22Å; Y269-H289 PolarHBondContact O-NE2 3.31Å; F275-H289 PolarHBondContact O-CD2 3.26Å; E276-H289 WeakPolarHBondContact O-CA 3.5Å; V277-H289 VanDerWaalsContact CG2-CD2 3.41Å; V277-H289 WeakPolarHBondContact CG2-CD2 3.47Å; V277-H289 WeakPolarHBondContact CG2-NE2 3.45Å; H289-K291 PolarHBondContact O-N 2.85Å; H289-K291 VanDerWaalsContact O-N 3.13Å; H289-C292 HydrophobicContact CB-CB 4.05Å; H289-C292 PolarHBondContact O-N 3.37Å; H289-S293 PolarHBondContact O-N 3.5Å
290	R	90.9	Very high	87.3	Confident	13 Å²	13	58.9 Å²	58.9	5%	0.049	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-47.8	-46.9	174.9	-65.7	-171.2	179	109.7	3.1	112.5	G273 W274 E276 I278 C292 S293 D294 L295 K296 L297 T299	G273-R290 PolarHBondContact O-NH1 3.44Å; W274-R290 PolarHBondContact O-N 3.37Å; E276-R290 VanDerWaalsContact CD-NH2 3.3Å; E276-R290 PolarHBondContact O-N 3.17Å; E276-R290 IonicContact OE1-NH2 3.97Å; E276-R290 IonicContact OE2-CZ 2.72Å; E276-R290 IonicContact OE2-NH1 2.77Å; E276-R290 PolarHBondContact OE2-NH1 3.09Å; E276-R290 IonicContact OE2-NH2 3.15Å; E276-R290 PolarHBondContact OE2-NH2 3.14Å; I278-R290 HydrophobicContact CD1-CG 4.11Å; I278-R290 HydrophobicContact CG1-CG 3.64Å; R290-C292 VanDerWaalsContact C-N 3.33Å; R290-C292 PolarHBondContact O-N 3.48Å; R290-S293 PolarHBondContact O-N 2.81Å; R290-D294 PolarHBondContact O-N 3.5Å; R290-L295 HydrophobicContact CB-CB 4.13Å; R290-L295 HydrophobicContact CG-CB 4.41Å; R290-L295 PolarHBondContact O-N 3.4Å; R290-K296 WeakPolarHBondContact CD-O 3.21Å; R290-L297 PolarHBondContact NE-O 3.12Å; R290-T299 PolarHBondContact NE-O 3.22Å; R290-T299 VanDerWaalsContact NE-O 3.1Å
291	K	90.1	Very high	87.1	Confident	94 Å²	94	62.4 Å²	62.4	41%	0.409	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-67.3	-27.9	179.1	-159.9	-180	-179.7	-177.2	0	114.2	L262 W274 F275 H289 S293	L262-K291 HydrophobicContact CD1-CD 4.49Å; L262-K291 HydrophobicContact CD1-CG 4.09Å; L262-K291 WeakPolarHBondContact CD1-O 3.29Å; W274-K291 HydrophobicContact CB-CB 4.3Å; W274-K291 PolarHBondContact O-N 3.35Å; F275-K291 HydrophobicContact CE1-CB 4.35Å; F275-K291 HydrophobicContact CE1-CD 3.94Å; F275-K291 HydrophobicContact CZ-CD 3.73Å; H289-K291 PolarHBondContact O-N 2.85Å; H289-K291 VanDerWaalsContact O-N 3.13Å; K291-S293 VanDerWaalsContact C-N 3.31Å
292	C	91.6	Very high	87.3	Confident	13 Å²	13	61.5 Å²	61.5	9%	0.088	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-83.4	-8.5	-175.5	-61.7	0	0	0	0	113.4	S258 L262 H289 R290	S258-C292 PolarHBondContact OG-O 3.24Å; L262-C292 PolarHBondContact N-SG 3Å; H289-C292 HydrophobicContact CB-CB 4.05Å; H289-C292 PolarHBondContact O-N 3.37Å; R290-C292 VanDerWaalsContact C-N 3.33Å; R290-C292 PolarHBondContact O-N 3.48Å
293	S	87.5	Confident	87.6	Confident	39 Å²	39	58.4 Å²	58.4	27%	0.273	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-131.9	26	175.8	-64.2	0	0	0	0	112	T288 H289 R290 K291 L295	T288-S293 WeakPolarHBondContact CB-OG 3.29Å; T288-S293 WeakPolarHBondContact CG2-OG 2.98Å; T288-S293 PolarHBondContact OG1-OG 3.21Å; H289-S293 PolarHBondContact O-N 3.5Å; R290-S293 PolarHBondContact O-N 2.81Å; K291-S293 VanDerWaalsContact C-N 3.31Å; S293-L295 WeakPolarHBondContact O-CD2 3.46Å; S293-L295 PolarHBondContact O-N 3.38Å; S293-L295 VanDerWaalsContact O-N 3.1Å
294	D	88.1	Confident	87.8	Confident	154 Å²	154	56 Å²	56	82%	0.824	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	35.4	177.7	-64.4	-36.2	0	0	0	114.6	R290	R290-D294 PolarHBondContact O-N 3.5Å
295	L	88.5	Confident	87.7	Confident	27 Å²	27	59.2 Å²	59.2	14%	0.141	31%	0.31	C	S	.	.			trans	-81.8	147.3	177.6	-51.7	-180	0	0	0	110.8	W274 I278 T288 R290 S293 T299 W302	W274-L295 WeakPolarHBondContact CZ3-O 3.4Å; I278-L295 HydrophobicContact CB-CD1 4.42Å; I278-L295 HydrophobicContact CG1-CD1 4.39Å; T288-L295 HydrophobicContact CG2-CD1 3.93Å; R290-L295 HydrophobicContact CB-CB 4.13Å; R290-L295 HydrophobicContact CG-CB 4.41Å; R290-L295 PolarHBondContact O-N 3.4Å; S293-L295 WeakPolarHBondContact O-CD2 3.46Å; S293-L295 PolarHBondContact O-N 3.38Å; S293-L295 VanDerWaalsContact O-N 3.1Å; L295-T299 HydrophobicContact CB-CG2 4.25Å; L295-T299 HydrophobicContact CD1-CG2 4.39Å; L295-T299 HydrophobicContact CD2-CG2 4.42Å; L295-W302 HydrophobicContact CD1-CB 4.01Å; L295-W302 HydrophobicContact CD1-CG 3.99Å
296	K	88.3	Confident	87.8	Confident	153 Å²	153	59.5 Å²	59.5	67%	0.665	31%	0.305	S	S	*	.			trans	-70	155.2	176.1	-61.1	177.1	-178.1	173.4	0	110.4	R290 N298 T299	R290-K296 WeakPolarHBondContact CD-O 3.21Å; K296-N298 WeakPolarHBondContact CB-OD1 3.35Å; K296-N298 PolarHBondContact O-N 3.16Å; K296-T299 PolarHBondContact N-OG1 3.03Å; K296-T299 WeakPolarHBondContact O-CB 3.34Å; K296-T299 PolarHBondContact O-N 3.1Å; K296-T299 PolarHBondContact O-OG1 2.91Å
297	L	85.9	Confident	87.5	Confident	89 Å²	89	56.5 Å²	56.5	47%	0.466	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.9	-178.7	-91.4	159.4	0	0	0	114.9	W274 R290	W274-L297 HydrophobicContact CD2-CD1 4.44Å; W274-L297 HydrophobicContact CD2-CD2 3.75Å; W274-L297 HydrophobicContact CD2-CG 3.84Å; W274-L297 VanDerWaalsContact CE2-CG 3.43Å; W274-L297 HydrophobicContact CE3-CD2 4.33Å; W274-L297 HydrophobicContact CE3-CG 4.13Å; W274-L297 HydrophobicContact CG-CD2 3.98Å; W274-L297 HydrophobicContact CH2-CD1 4Å; W274-L297 HydrophobicContact CH2-CG 3.73Å; W274-L297 HydrophobicContact CZ2-CD1 3.3Å; W274-L297 HydrophobicContact CZ2-CD2 4.16Å; W274-L297 HydrophobicContact CZ2-CG 3.4Å; W274-L297 HydrophobicContact CZ3-CG 4.08Å; R290-L297 PolarHBondContact NE-O 3.12Å
298	N	82.1	Confident	87.1	Confident	130 Å²	130	60 Å²	60	70%	0.695	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	0.5	-178.6	60.7	-20.7	0	0	0	113.7	K296 T300	K296-N298 WeakPolarHBondContact CB-OD1 3.35Å; K296-N298 PolarHBondContact O-N 3.16Å; N298-T300 PolarHBondContact O-N 3.35Å
299	T	82.7	Confident	86.4	Confident	23 Å²	23	64.9 Å²	64.9	14%	0.141	34%	0.341	C	S	.	.			trans	-67.7	130.3	177.9	-58.5	0	0	0	0	109.9	R290 L295 K296 D301	R290-T299 PolarHBondContact NE-O 3.22Å; R290-T299 VanDerWaalsContact NE-O 3.1Å; L295-T299 HydrophobicContact CB-CG2 4.25Å; L295-T299 HydrophobicContact CD1-CG2 4.39Å; L295-T299 HydrophobicContact CD2-CG2 4.42Å; K296-T299 PolarHBondContact N-OG1 3.03Å; K296-T299 WeakPolarHBondContact O-CB 3.34Å; K296-T299 PolarHBondContact O-N 3.1Å; K296-T299 PolarHBondContact O-OG1 2.91Å; T299-D301 VanDerWaalsContact CG2-O 3.22Å; T299-D301 WeakPolarHBondContact CG2-O 3.34Å
300	T	80.9	Confident	85.6	Confident	110 Å²	110	69 Å²	69	68%	0.675	38%	0.376	S	S	*	.			trans	-124.1	-12.3	176.6	56.4	0	0	0	0	112.2	N298	N298-T300 PolarHBondContact O-N 3.35Å
301	D	83.6	Confident	84.9	Confident	78 Å²	78	70.8 Å²	70.8	42%	0.417	39%	0.388	S	S	.	.			trans	-109.5	111.5	-177.1	53.7	-38.9	0	0	0	109.1	T299 L317	T299-D301 VanDerWaalsContact CG2-O 3.22Å; T299-D301 WeakPolarHBondContact CG2-O 3.34Å; D301-L317 HydrophobicContact CB-CD1 4.24Å
302	W	90.1	Very high	83.5	Confident	43 Å²	43	73 Å²	73	16%	0.163	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-143.8	141.5	176.7	171.1	73.3	0	0	0	108.5	I278 C280 C281 R286 T288 L295 C304	I278-W302 HydrophobicContact CG2-CB 3.85Å; C280-W302 CarbonylContact C-O 3.43Å; C280-W302 VanDerWaalsContact CA-O 3.23Å; C280-W302 WeakPolarHBondContact CA-O 3.46Å; C280-W302 HydrophobicContact CB-CE3 4.18Å; C280-W302 HydrophobicContact CB-CZ3 3.94Å; C281-W302 PolarHBondContact N-O 3.37Å; C281-W302 PolarHBondContact SG-O 3.35Å; C281-W302 VanDerWaalsContact SG-O 3.4Å; R286-W302 HydrophobicContact CB-CH2 4.32Å; R286-W302 HydrophobicContact CB-CZ3 4.43Å; T288-W302 HydrophobicContact CG2-CD2 3.64Å; T288-W302 HydrophobicContact CG2-CE3 3.95Å; T288-W302 HydrophobicContact CG2-CG 4.16Å; T288-W302 HydrophobicContact CG2-CH2 4.07Å; T288-W302 HydrophobicContact CG2-CZ2 3.76Å; T288-W302 HydrophobicContact CG2-CZ3 4.16Å; L295-W302 HydrophobicContact CD1-CB 4.01Å; L295-W302 HydrophobicContact CD1-CG 3.99Å; W302-C304 HydrophobicContact CH2-CB 3.71Å; W302-C304 HydrophobicContact CZ2-CB 4.06Å; W302-C304 HydrophobicContact CZ3-CB 4.26Å
303	A	88.9	Confident	81.9	Confident	15 Å²	15	75.2 Å²	75.2	12%	0.124	43%	0.43	C	S	.	.			trans	-117.7	139.3	172.7	0	0	0	0	0	109.4	L282 I308	L282-A303 HydrophobicContact CD1-CB 4.04Å; L282-A303 HydrophobicContact CG-CB 4.48Å; A303-I308 HydrophobicContact CB-CD1 4.19Å; A303-I308 HydrophobicContact CB-CG1 3.76Å; A303-I308 WeakPolarHBondContact O-CD1 3.3Å
304	C	88.9	Confident	79.9	Confident	2 Å²	2	82.1 Å²	82.1	1%	0.014	46%	0.455	C	S	.	.			trans	-74.3	158.9	175.7	71.4	0	0	0	0	111.1	C280 R286 W302 D306 C307 I308	C280-C304 HydrophobicContact CB-CB 4.16Å; C280-C304 PolarHBondContact SG-N 3.38Å; R286-C304 HydrophobicContact CB-CB 4.01Å; R286-C304 HydrophobicContact CG-CB 4.34Å; W302-C304 HydrophobicContact CH2-CB 3.71Å; W302-C304 HydrophobicContact CZ2-CB 4.06Å; W302-C304 HydrophobicContact CZ3-CB 4.26Å; C304-D306 PolarHBondContact O-N 2.78Å; C304-C307 PolarHBondContact O-N 3.06Å; C304-C307 VanDerWaalsContact O-N 3.1Å; C304-C307 PolarHBondContact SG-SG 3.06Å; C304-I308 WeakPolarHBondContact O-CG1 3.39Å; C304-I308 PolarHBondContact O-N 3.08Å
305	I	83.5	Confident	77.8	Confident	95 Å²	95	76.9 Å²	76.9	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-55.5	-38.2	-177.7	-170.3	60.5	0	0	0	112.7	I308 N309	I305-I308 PolarHBondContact O-N 2.56Å; I305-N309 WeakPolarHBondContact O-CB 3.4Å; I305-N309 PolarHBondContact O-N 2.83Å; I305-N309 PolarHBondContact O-ND2 3.31Å
306	D	84.3	Confident	75.7	Confident	85 Å²	85	80.7 Å²	80.7	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-42.9	-179.6	-49.8	-46.5	0	0	0	111.1	R286 C304 N309 A310	R286-D306 WeakPolarHBondContact CD-OD2 3.39Å; R286-D306 IonicContact CZ-OD2 2.89Å; R286-D306 IonicContact NE-OD2 3.6Å; R286-D306 IonicContact NH1-OD1 2.65Å; R286-D306 IonicContact NH1-OD2 3.18Å; R286-D306 PolarHBondContact NH1-OD2 2.91Å; C304-D306 PolarHBondContact O-N 2.78Å; D306-N309 PolarHBondContact O-N 3.37Å; D306-A310 VanDerWaalsContact O-CB 3.31Å; D306-A310 WeakPolarHBondContact O-CB 3.46Å; D306-A310 PolarHBondContact O-N 3.26Å
307	C	84.2	Confident	73.8	Confident	22 Å²	22	77.6 Å²	77.6	15%	0.149	45%	0.452	C	S	.	.	H	α-helix	trans	-73.6	-33	178	-66.5	0	0	0	0	112.9	L282 C304 N309 A310 T311	L282-C307 HydrophobicContact CB-CB 3.88Å; L282-C307 HydrophobicContact CD1-CB 3.61Å; L282-C307 HydrophobicContact CG-CB 4.34Å; C304-C307 PolarHBondContact O-N 3.06Å; C304-C307 VanDerWaalsContact O-N 3.1Å; C304-C307 PolarHBondContact SG-SG 3.06Å; C307-N309 VanDerWaalsContact C-N 3.35Å; C307-A310 PolarHBondContact O-N 3.42Å; C307-T311 WeakPolarHBondContact O-CB 3.47Å; C307-T311 WeakPolarHBondContact O-CG2 3.25Å; C307-T311 PolarHBondContact O-N 3.08Å; C307-T311 PolarHBondContact O-OG1 2.95Å
308	I	82	Confident	71.5	Confident	74 Å²	74	79.6 Å²	79.6	38%	0.379	47%	0.468	S	S	.	.	H	α-helix	trans	-62.6	-46.2	172.6	-69.1	167.3	0	0	0	109.7	A303 C304 I305 T311 D312 G313	A303-I308 HydrophobicContact CB-CD1 4.19Å; A303-I308 HydrophobicContact CB-CG1 3.76Å; A303-I308 WeakPolarHBondContact O-CD1 3.3Å; C304-I308 WeakPolarHBondContact O-CG1 3.39Å; C304-I308 PolarHBondContact O-N 3.08Å; I305-I308 PolarHBondContact O-N 2.56Å; I308-T311 PolarHBondContact O-N 2.68Å; I308-T311 PolarHBondContact O-OG1 3.28Å; I308-D312 PolarHBondContact O-N 3.39Å; I308-G313 PolarHBondContact O-N 3.41Å
309	N	78.9	Confident	69.2	Low	104 Å²	104	77.6 Å²	77.6	56%	0.556	47%	0.469	S	S	*	.	H	α-helix	trans	-65.8	-38.6	178.1	-68.3	-17.4	0	0	0	112.1	I305 D306 C307 T311	I305-N309 WeakPolarHBondContact O-CB 3.4Å; I305-N309 PolarHBondContact O-N 2.83Å; I305-N309 PolarHBondContact O-ND2 3.31Å; D306-N309 PolarHBondContact O-N 3.37Å; C307-N309 VanDerWaalsContact C-N 3.35Å; N309-T311 PolarHBondContact O-N 2.92Å
310	A	77.3	Confident	66.7	Low	87 Å²	87	81.6 Å²	81.6	72%	0.719	50%	0.498	S	S	*	.	H	α-helix	trans	-71.4	-15.6	179.5	0	0	0	0	0	114	D306 C307	D306-A310 VanDerWaalsContact O-CB 3.31Å; D306-A310 WeakPolarHBondContact O-CB 3.46Å; D306-A310 PolarHBondContact O-N 3.26Å; C307-A310 PolarHBondContact O-N 3.42Å
311	T	74.4	Confident	64.3	Low	50 Å²	50	82.7 Å²	82.7	31%	0.307	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	10.7	-177.5	54.7	0	0	0	0	113.5	L282 C307 I308 N309 G313 K314 A315	L282-T311 HydrophobicContact CD1-CG2 4.27Å; C307-T311 WeakPolarHBondContact O-CB 3.47Å; C307-T311 WeakPolarHBondContact O-CG2 3.25Å; C307-T311 PolarHBondContact O-N 3.08Å; C307-T311 PolarHBondContact O-OG1 2.95Å; I308-T311 PolarHBondContact O-N 2.68Å; I308-T311 PolarHBondContact O-OG1 3.28Å; N309-T311 PolarHBondContact O-N 2.92Å; T311-G313 PolarHBondContact O-N 3.26Å; T311-K314 PolarHBondContact O-N 3.44Å; T311-A315 HydrophobicContact CG2-CB 4.07Å
312	D	61.9	Low	61.9	Low	139 Å²	139	87.7 Å²	87.7	74%	0.743	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	27.9	-176.4	-68.6	-26.6	0	0	0	113.7	I308 K314	I308-D312 PolarHBondContact O-N 3.39Å; D312-K314 PolarHBondContact O-N 2.95Å
313	G	57.7	Low	58.9	Low	61 Å²	61	91.2 Å²	91.2	63%	0.629	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.4	10.4	-175.9	0	0	0	0	0	115.7	I308 T311	I308-G313 PolarHBondContact O-N 3.41Å; T311-G313 PolarHBondContact O-N 3.26Å
314	K	46.5	Very low	56.4	Low	184 Å²	184	94.2 Å²	94.2	80%	0.8	59%	0.591	S	S	*	*			trans	-94.4	-2.4	-177.1	-70.9	-176.8	-178.5	174.6	0	115	T311 D312 S316	T311-K314 PolarHBondContact O-N 3.44Å; D312-K314 PolarHBondContact O-N 2.95Å; K314-S316 PolarHBondContact O-N 3.15Å
315	A	42.6	Very low	53.5	Low	44 Å²	44	103 Å²	103	36%	0.364	63%	0.632	S	S	.	*			trans	-72.2	109.1	180	0	0	0	0	0	111.2	L282 T311 L317	L282-A315 HydrophobicContact CD1-CB 4.41Å; T311-A315 HydrophobicContact CG2-CB 4.07Å; A315-L317 PolarHBondContact O-N 3.25Å
316	S	45.6	Very low	50.8	Low	107 Å²	107	108.2 Å²	108.2	75%	0.748	65%	0.651	S	S	*	*			trans	-62.4	126.3	161.3	-101	0	0	0	0	108.9	K314 V318	K314-S316 PolarHBondContact O-N 3.15Å; S316-V318 WeakPolarHBondContact O-CG2 3.49Å; S316-V318 PolarHBondContact O-N 3.04Å
317	L	48.7	Very low	48.2	Very low	87 Å²	87	114.9 Å²	114.9	46%	0.455	67%	0.67	S	S	.	*			trans	-65.3	94.3	175.8	-63.8	164.4	0	0	0	108.4	C281 D301 A315 A319	C281-L317 WeakPolarHBondContact SG-CD2 3.42Å; D301-L317 HydrophobicContact CB-CD1 4.24Å; A315-L317 PolarHBondContact O-N 3.25Å; L317-A319 PolarHBondContact O-N 3.08Å
318	V	37.2	Very low	45.4	Very low	132 Å²	132	118.4 Å²	118.4	80%	0.8	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-65.6	126.8	-179.3	-174.5	0	0	0	0	109.4	S316 S320	S316-V318 WeakPolarHBondContact O-CG2 3.49Å; S316-V318 PolarHBondContact O-N 3.04Å; V318-S320 PolarHBondContact O-N 3.44Å
319	A	32.7	Very low	43.1	Very low	88 Å²	88	122.7 Å²	122.7	73%	0.727	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-64.5	131.3	174.1	0	0	0	0	0	110.6	L317	L317-A319 PolarHBondContact O-N 3.08Å
320	S	30.1	Very low	40.9	Very low	106 Å²	106	124.3 Å²	124.3	74%	0.741	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62.8	134.1	172.1	-79.8	0	0	0	0	111	V318 Q322	V318-S320 PolarHBondContact O-N 3.44Å; S320-Q322 PolarHBondContact O-N 2.93Å
321	P	30.5	Very low	38.6	Very low	133 Å²	133	126.2 Å²	126.2	86%	0.864	73%	0.734	S	S	*	*			trans	-73.7	100.9	169.5	24.4	-22.3	0	0	0	109.5
322	Q	33.1	Very low	36.7	Very low	184 Å²	184	133.2 Å²	133.2	86%	0.86	76%	0.76	S	S	*	*			trans	-99.4	97.3	160.5	-73.5	-167.6	1.4	0	0	109.3	S320	S320-Q322 PolarHBondContact O-N 2.93Å
323	S	28.9	Very low	35.3	Very low	117 Å²	117	137 Å²	137	82%	0.818	76%	0.764	S	S	*	*			trans	-164.1	131.4	143.8	57	0	0	0	0	109.6	Q325	S323-Q325 PolarHBondContact O-N 2.72Å
324	G	35.9	Very low	33.9	Very low	78 Å²	78	141.3 Å²	141.3	80%	0.804	77%	0.767	S	S	*	*			trans	-67.1	120.6	-165.2	0	0	0	0	0	114.2	K326	G324-K326 PolarHBondContact O-N 2.77Å
325	Q	27.3	Very low	33	Very low	185 Å²	185	141 Å²	141	86%	0.864	77%	0.774	S	S	*	*			trans	-72.9	104.6	149.9	-74.2	-171.6	-26.6	0	0	107.9	S323 R327	S323-Q325 PolarHBondContact O-N 2.72Å; Q325-R327 VanDerWaalsContact C-N 3.31Å; Q325-R327 PolarHBondContact O-N 2.85Å
326	K	27.4	Very low	32.2	Very low	205 Å²	205	143.7 Å²	143.7	89%	0.891	79%	0.785	S	S	*	*			trans	-53.2	103.9	155	-75.4	179.5	177.3	177.1	0	106.5	G324 S328	G324-K326 PolarHBondContact O-N 2.77Å; K326-S328 PolarHBondContact O-N 3.21Å
327	R	29	Very low	31.4	Very low	225 Å²	225	143.8 Å²	143.8	85%	0.849	78%	0.783	S	S	*	*			trans	-53.9	111.6	168.8	-72.9	179	172.5	176.7	-3.6	107.2	Q325 L329	Q325-R327 VanDerWaalsContact C-N 3.31Å; Q325-R327 PolarHBondContact O-N 2.85Å; R327-L329 PolarHBondContact O-N 3.37Å
328	S	26.7	Very low	30.3	Very low	97 Å²	97	147.9 Å²	147.9	68%	0.678	81%	0.805	S	S	*	*			trans	-61.5	104.5	165.7	176.1	0	0	0	0	107.4	K326 L330	K326-S328 PolarHBondContact O-N 3.21Å; S328-L330 PolarHBondContact O-N 2.65Å
329	L	33.5	Very low	29.7	Very low	164 Å²	164	147.5 Å²	147.5	86%	0.859	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	41.5	176.7	-77.4	165.1	0	0	0	111.9	R327	R327-L329 PolarHBondContact O-N 3.37Å
330	L	31.5	Very low	29.5	Very low	137 Å²	137	147.1 Å²	147.1	72%	0.717	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	3.1	-176.7	-77.7	168.3	0	0	0	115.8	S328 K332	S328-L330 PolarHBondContact O-N 2.65Å; L330-K332 PolarHBondContact O-N 3.31Å
331	S	30.2	Very low	29.5	Very low	128 Å²	128	148.1 Å²	148.1	90%	0.895	80%	0.799	S	S	*	*			trans	-81.1	13.6	170.4	-136.6	0	0	0	0	114.3
332	K	33.6	Very low	29.6	Very low	196 Å²	196	149.9 Å²	149.9	85%	0.852	80%	0.801	S	S	*	*			trans	-104.1	54.5	175.4	-88.1	-168.9	175.4	-176.1	0	111.5	L330	L330-K332 PolarHBondContact O-N 3.31Å
333	R	32.5	Very low	29.7	Very low	220 Å²	220	144.7 Å²	144.7	83%	0.83	80%	0.796	S	S	*	*	S	Bend	trans	-148.6	81.4	163.3	-72.4	-165.7	-180	171.5	-0.3	111.2
334	H	27.6	Very low	29.6	Very low	151 Å²	151	144.1 Å²	144.1	70%	0.699	79%	0.791	S	S	*	*			trans	166.9	70	135.3	-92.5	-69.7	0	0	0	108.2
335	L	28	Very low	29.6	Very low	177 Å²	177	150 Å²	150	93%	0.927	79%	0.794	S	S	*	*			trans	-92.9	87.8	154	-85.2	157.9	0	0	0	105.6
336	T	26.9	Very low	29.5	Very low	100 Å²	100	148.3 Å²	148.3	61%	0.613	78%	0.78	S	S	*	*			trans	-74.9	141.8	147.6	39.3	0	0	0	0	107.1	L338	T336-L338 PolarHBondContact O-N 3.28Å
337	P	27.5	Very low	29.6	Very low	109 Å²	109	144 Å²	144	71%	0.708	77%	0.773	S	S	*	*			trans	-56.7	127.2	176.5	16.4	-20	0	0	0	108.3	T339	P337-T339 PolarHBondContact O-N 3.01Å
338	L	26.8	Very low	29.3	Very low	173 Å²	173	139.4 Å²	139.4	91%	0.906	77%	0.774	S	S	*	*			trans	-69.5	76.5	172	-154.1	84.4	0	0	0	107.2	T336 S340	T336-L338 PolarHBondContact O-N 3.28Å; L338-S340 PolarHBondContact O-N 3.09Å; L338-S340 VanDerWaalsContact O-N 3.15Å
339	T	25	Very low	29.2	Very low	124 Å²	124	140.1 Å²	140.1	76%	0.761	77%	0.774	S	S	*	*			trans	-69	101.8	158.1	38.7	0	0	0	0	106	P337 P341	P337-T339 PolarHBondContact O-N 3.01Å; T339-P341 WeakPolarHBondContact O-CD 3.47Å
340	S	27.5	Very low	29.1	Very low	80 Å²	80	144 Å²	144	56%	0.559	78%	0.778	S	S	*	*			trans	-70.3	121.3	170.9	43.3	0	0	0	0	109.2	L338 L342	L338-S340 PolarHBondContact O-N 3.09Å; L338-S340 VanDerWaalsContact O-N 3.15Å; S340-L342 VanDerWaalsContact C-N 3.27Å; S340-L342 PolarHBondContact O-N 2.78Å
341	P	29.4	Very low	29.2	Very low	127 Å²	127	142.6 Å²	142.6	83%	0.825	77%	0.774	S	S	*	*			trans	-85.5	73.9	164.2	32.2	-25.6	0	0	0	108.3	T339	T339-P341 WeakPolarHBondContact O-CD 3.47Å
342	L	32.5	Very low	29.7	Very low	171 Å²	171	146.9 Å²	146.9	90%	0.895	77%	0.771	S	S	*	*			trans	-99.3	78.5	165	-79.5	170.1	0	0	0	109	S340	S340-L342 VanDerWaalsContact C-N 3.27Å; S340-L342 PolarHBondContact O-N 2.78Å
343	G	37.1	Very low	30.3	Very low	74 Å²	74	139 Å²	139	76%	0.763	74%	0.74	S	S	*	*			trans	-168	41.8	-179	0	0	0	0	0	113.1
344	C	25.7	Very low	31.5	Very low	106 Å²	106	135.5 Å²	135.5	72%	0.716	74%	0.737	S	S	*	*			trans	-128.5	109.8	163.8	-138.8	0	0	0	0	110.9
345	K	35.1	Very low	33.8	Very low	201 Å²	201	129.5 Å²	129.5	87%	0.874	71%	0.713	S	S	*	*			trans	-54.8	135	175.2	-61.4	169	178.1	172.2	0	110.3
346	R	25.4	Very low	36.3	Very low	150 Å²	150	122 Å²	122	57%	0.566	67%	0.674	S	S	*	*			trans	-133.8	144.7	143	-79.1	-169.4	-179.8	-162.9	-0.7	111.9	S365 H366	R346-S365 PolarHBondContact NH1-OG 3.45Å; R346-S365 VanDerWaalsContact NH2-CB 3.34Å; R346-S365 PolarHBondContact NH2-O 3.43Å; R346-S365 PolarHBondContact NH2-OG 3.06Å; R346-H366 PolarHBondContact NH2-CE1 3.14Å
347	P	29.9	Very low	38.8	Very low	113 Å²	113	120 Å²	120	73%	0.734	66%	0.658	S	S	*	*			trans	-73.8	132	-172.9	-2.2	20.5	0	0	0	109.5	T349	P347-T349 VanDerWaalsContact C-N 3.27Å; P347-T349 PolarHBondContact O-N 3.16Å
348	C	22.9	Very low	41.3	Very low	129 Å²	129	119.3 Å²	119.3	87%	0.872	65%	0.646	S	S	*	*			trans	-75.4	84.2	168.7	-160.1	0	0	0	0	108.7
349	T	25	Very low	44	Very low	112 Å²	112	111.7 Å²	111.7	69%	0.687	61%	0.605	S	S	*	*			trans	-77.3	117.7	154.6	35.5	0	0	0	0	107.3	P347 V351	P347-T349 VanDerWaalsContact C-N 3.27Å; P347-T349 PolarHBondContact O-N 3.16Å; T349-V351 VanDerWaalsContact C-N 3.32Å; T349-V351 PolarHBondContact O-N 3.35Å
350	R	32.2	Very low	46.9	Very low	247 Å²	247	105.8 Å²	105.8	93%	0.932	57%	0.569	S	S	*	*			trans	-58.3	94.9	168.3	-76.7	179.8	175.7	178.9	-2.3	109.2
351	V	32.8	Very low	49.4	Very low	107 Å²	107	106.3 Å²	106.3	65%	0.648	56%	0.559	S	S	*	*			trans	-134.7	120.3	160.7	-175.5	0	0	0	0	104.7	T349	T349-V351 VanDerWaalsContact C-N 3.32Å; T349-V351 PolarHBondContact O-N 3.35Å
352	R	40.3	Very low	51.8	Low	218 Å²	218	103 Å²	103	82%	0.823	54%	0.538	S	S	*	.			trans	-61.6	126.9	164.9	-86.6	-179.4	170.3	173.9	-4.9	105.6	D354	R352-D354 PolarHBondContact O-N 2.91Å
353	P	47.2	Very low	54.1	Low	31 Å²	31	96.8 Å²	96.8	20%	0.201	51%	0.506	C	S	.	.			trans	-64.1	122.7	170.2	11.3	-6.5	0	0	0	107.7	S355 L359 F591	P353-S355 VanDerWaalsContact C-N 3.32Å; P353-L359 HydrophobicContact CB-CD1 4.17Å; P353-L359 HydrophobicContact CB-CD2 3.66Å; P353-L359 HydrophobicContact CB-CG 3.7Å; P353-L359 HydrophobicContact CG-CD1 4.06Å; P353-L359 HydrophobicContact CG-CD2 3.38Å; P353-L359 HydrophobicContact CG-CG 3.85Å; P353-F591 HydrophobicContact CG-CE2 4.5Å; P353-F591 HydrophobicContact CG-CZ 4.39Å
354	D	57.1	Low	55.7	Low	145 Å²	145	95.2 Å²	95.2	78%	0.775	48%	0.48	S	S	*	.			trans	-85.6	-8.4	-177.5	-72.3	-32.8	0	0	0	111.6	R352	R352-D354 PolarHBondContact O-N 2.91Å
355	S	75.6	Confident	57	Low	26 Å²	26	92.4 Å²	92.4	18%	0.182	46%	0.461	C	S	.	.			trans	-147	145.5	-174	105.6	0	0	0	0	114.2	P353 E357 E358	P353-S355 VanDerWaalsContact C-N 3.32Å; S355-E357 WeakPolarHBondContact CB-OE2 3.47Å; S355-E357 PolarHBondContact O-N 3.42Å; S355-E357 PolarHBondContact OG-N 3.05Å; S355-E357 PolarHBondContact OG-OE2 2.88Å; S355-E358 PolarHBondContact O-N 3.34Å; S355-E358 PolarHBondContact OG-N 2.85Å
356	P	80.3	Confident	57.9	Low	18 Å²	18	89 Å²	89	12%	0.117	45%	0.448	C	S	.	.	H	α-helix	trans	-64	-28.9	177.9	24.2	-30.7	0	0	0	112.5	E358 L359 L360 I594 F595 V598	P356-E358 PolarHBondContact O-N 2.91Å; P356-L359 PolarHBondContact O-N 3.37Å; P356-L360 WeakPolarHBondContact O-CG 3.5Å; P356-L360 PolarHBondContact O-N 2.76Å; P356-I594 HydrophobicContact CB-CG2 4Å; P356-I594 HydrophobicContact CG-CG2 4.17Å; P356-F595 HydrophobicContact CB-CD1 4.05Å; P356-F595 HydrophobicContact CB-CE1 3.88Å; P356-F595 HydrophobicContact CB-CZ 4.23Å; P356-V598 HydrophobicContact CB-CG2 3.81Å; P356-V598 HydrophobicContact CG-CG2 3.87Å
357	E	80.8	Confident	59.4	Low	59 Å²	59	86.3 Å²	86.3	28%	0.276	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-41	179.8	-59.3	78.2	-170.4	0	0	112.1	S355 L359 L360 R361 A667 V668	S355-E357 WeakPolarHBondContact CB-OE2 3.47Å; S355-E357 PolarHBondContact O-N 3.42Å; S355-E357 PolarHBondContact OG-N 3.05Å; S355-E357 PolarHBondContact OG-OE2 2.88Å; E357-L359 VanDerWaalsContact C-N 3.35Å; E357-L360 PolarHBondContact O-N 2.81Å; E357-R361 WeakPolarHBondContact O-CG 3.19Å; E357-R361 PolarHBondContact O-N 3.27Å; E357-A667 WeakPolarHBondContact CG-O 3.21Å; E357-V668 WeakPolarHBondContact CB-O 3.23Å
358	E	79.8	Confident	60.7	Low	95 Å²	95	82.2 Å²	82.2	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-65.3	-40.5	177.3	-71.8	-176.9	167.6	0	0	111.8	S355 P356 R361 S362	S355-E358 PolarHBondContact O-N 3.34Å; S355-E358 PolarHBondContact OG-N 2.85Å; P356-E358 PolarHBondContact O-N 2.91Å; E358-R361 PolarHBondContact O-N 2.84Å; E358-S362 PolarHBondContact O-N 3.44Å
359	L	83	Confident	62.4	Low	12 Å²	12	82.5 Å²	82.5	6%	0.063	43%	0.425	C	S	.	.	H	α-helix	trans	-62.5	-47.9	176.2	-73	175.2	0	0	0	110.8	P353 P356 E357 R361 S362 F591 F595	P353-L359 HydrophobicContact CB-CD1 4.17Å; P353-L359 HydrophobicContact CB-CD2 3.66Å; P353-L359 HydrophobicContact CB-CG 3.7Å; P353-L359 HydrophobicContact CG-CD1 4.06Å; P353-L359 HydrophobicContact CG-CD2 3.38Å; P353-L359 HydrophobicContact CG-CG 3.85Å; P356-L359 PolarHBondContact O-N 3.37Å; E357-L359 VanDerWaalsContact C-N 3.35Å; L359-R361 PolarHBondContact O-N 2.78Å; L359-S362 WeakPolarHBondContact O-CB 3.36Å; L359-S362 PolarHBondContact O-N 2.99Å; L359-S362 PolarHBondContact O-OG 2.8Å; L359-F591 HydrophobicContact CD1-CB 4.43Å; L359-F591 HydrophobicContact CD1-CD2 3.71Å; L359-F591 HydrophobicContact CD1-CE2 4.27Å; L359-F591 HydrophobicContact CD1-CG 4.22Å; L359-F591 HydrophobicContact CD2-CE2 4.32Å; L359-F595 HydrophobicContact CB-CE2 4.3Å; L359-F595 HydrophobicContact CB-CZ 3.89Å; L359-F595 HydrophobicContact CD1-CE2 3.63Å; L359-F595 HydrophobicContact CD1-CZ 4.08Å
360	L	84.5	Confident	64.5	Low	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-63.5	-40.3	177.5	-69	173.3	0	0	0	112.4	P356 E357 S362 L363 L472 V473 V584 F595 A667 V668	P356-L360 WeakPolarHBondContact O-CG 3.5Å; P356-L360 PolarHBondContact O-N 2.76Å; E357-L360 PolarHBondContact O-N 2.81Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 3.16Å; L360-L363 HydrophobicContact CD2-CD1 4.17Å; L360-L363 WeakPolarHBondContact O-CB 3.49Å; L360-L363 PolarHBondContact O-N 3.28Å; L360-L472 HydrophobicContact CD1-CB 4.39Å; L360-L472 HydrophobicContact CD2-CB 4.27Å; L360-V473 HydrophobicContact CD2-CG2 4.23Å; L360-V584 HydrophobicContact CD2-CG2 4.41Å; L360-F595 HydrophobicContact CD1-CE1 4.17Å; L360-F595 HydrophobicContact CD2-CE1 4Å; L360-F595 HydrophobicContact CD2-CZ 4.41Å; L360-F595 HydrophobicContact CG-CE1 3.89Å; L360-F595 HydrophobicContact CG-CZ 4.3Å; L360-A667 HydrophobicContact CD1-CB 4.17Å; L360-A667 WeakPolarHBondContact CD1-O 3.15Å; L360-V668 HydrophobicContact CB-CG2 4.32Å
361	R	80.6	Confident	66.6	Low	92 Å²	92	71.3 Å²	71.3	35%	0.347	39%	0.386	S	S	.	.	H	α-helix	trans	-60.8	-35.9	174.3	-77.6	-175.1	-124.1	113.8	3.7	112.8	E357 E358 L359 L363 L364 V668	E357-R361 WeakPolarHBondContact O-CG 3.19Å; E357-R361 PolarHBondContact O-N 3.27Å; E358-R361 PolarHBondContact O-N 2.84Å; L359-R361 PolarHBondContact O-N 2.78Å; R361-L363 PolarHBondContact O-N 2.79Å; R361-L364 PolarHBondContact O-N 2.83Å; R361-V668 HydrophobicContact CB-CG1 4.32Å; R361-V668 HydrophobicContact CG-CG1 3.19Å; R361-V668 PolarHBondContact NE-O 3.45Å; R361-V668 PolarHBondContact NH2-O 3.38Å; R361-V668 VanDerWaalsContact NH2-O 3.07Å
362	S	80.7	Confident	69	Low	56 Å²	56	66.9 Å²	66.9	39%	0.392	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-25.2	-179	81.5	0	0	0	0	112.8	E358 L359 L360 L364 S365	E358-S362 PolarHBondContact O-N 3.44Å; L359-S362 WeakPolarHBondContact O-CB 3.36Å; L359-S362 PolarHBondContact O-N 2.99Å; L359-S362 PolarHBondContact O-OG 2.8Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 3.16Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-L364 PolarHBondContact O-N 2.74Å; S362-S365 WeakPolarHBondContact O-CB 3.26Å; S362-S365 PolarHBondContact O-N 2.93Å; S362-S365 PolarHBondContact O-OG 2.93Å
363	L	80.1	Confident	71.1	Confident	42 Å²	42	60.5 Å²	60.5	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-71	-25.7	179.8	-58.7	177.6	0	0	0	113	L360 R361 V473 L582 V584 Q587	L360-L363 HydrophobicContact CD2-CD1 4.17Å; L360-L363 WeakPolarHBondContact O-CB 3.49Å; L360-L363 PolarHBondContact O-N 3.28Å; R361-L363 PolarHBondContact O-N 2.79Å; L363-V473 HydrophobicContact CB-CG1 4.43Å; L363-V473 HydrophobicContact CD1-CG2 4.04Å; L363-L582 WeakPolarHBondContact CD2-O 3.5Å; L363-V584 HydrophobicContact CD1-CG2 3.9Å; L363-Q587 HydrophobicContact CD1-CG 4.24Å; L363-Q587 HydrophobicContact CD2-CG 3.87Å; L363-Q587 HydrophobicContact CG-CG 4.45Å
364	L	70.4	Confident	72.9	Confident	40 Å²	40	59 Å²	59	21%	0.209	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	14	177.6	-82.2	172.3	0	0	0	114.4	R361 S362 H366 P367 V473	R361-L364 PolarHBondContact O-N 2.83Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-L364 PolarHBondContact O-N 2.74Å; L364-H366 CarbonylContact O-C 3.56Å; L364-H366 PolarHBondContact O-N 3.38Å; L364-P367 WeakPolarHBondContact O-CD 3.34Å; L364-P367 WeakPolarHBondContact O-CG 3.3Å; L364-V473 HydrophobicContact CD1-CG1 3.57Å; L364-V473 WeakPolarHBondContact CD1-O 3.48Å; L364-V473 HydrophobicContact CD2-CG1 3.87Å; L364-V473 HydrophobicContact CG-CG1 3.31Å
365	S	52.6	Low	74.2	Confident	47 Å²	47	56.2 Å²	56.2	33%	0.329	31%	0.312	S	S	.	.	S	Bend	trans	-66.8	-0.8	-157.4	56.9	0	0	0	0	116.8	R346 S362	R346-S365 PolarHBondContact NH1-OG 3.45Å; R346-S365 VanDerWaalsContact NH2-CB 3.34Å; R346-S365 PolarHBondContact NH2-O 3.43Å; R346-S365 PolarHBondContact NH2-OG 3.06Å; S362-S365 WeakPolarHBondContact O-CB 3.26Å; S362-S365 PolarHBondContact O-N 2.93Å; S362-S365 PolarHBondContact O-OG 2.93Å
366	H	54.2	Low	74.7	Confident	130 Å²	130	55 Å²	55	60%	0.602	30%	0.304	S	S	*	.	S	Bend	trans	-133.7	81.4	161	-62.9	-21.4	0	0	0	110.8	R346 L364 S368	R346-H366 PolarHBondContact NH2-CE1 3.14Å; L364-H366 CarbonylContact O-C 3.56Å; L364-H366 PolarHBondContact O-N 3.38Å; H366-S368 PolarHBondContact O-N 2.95Å
367	P	56.7	Low	74.8	Confident	93 Å²	93	58.5 Å²	58.5	60%	0.604	32%	0.319	S	S	*	.			trans	-63.6	125.6	178.1	-9.6	22.7	0	0	0	109	L364	L364-P367 WeakPolarHBondContact O-CD 3.34Å; L364-P367 WeakPolarHBondContact O-CG 3.3Å
368	S	57.8	Low	74.6	Confident	28 Å²	28	64.2 Å²	64.2	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	138.8	174.8	179.5	0	0	0	0	109.7	H366 V370 H398	H366-S368 PolarHBondContact O-N 2.95Å; S368-V370 PolarHBondContact O-N 3.12Å; S368-V370 VanDerWaalsContact O-N 3.11Å; S368-V370 PolarHBondContact OG-N 3.29Å; S368-H398 VanDerWaalsContact CB-CD2 3.44Å; S368-H398 WeakPolarHBondContact CB-CD2 3.25Å; S368-H398 PolarHBondContact OG-CD2 3.26Å
369	P	58.5	Low	74.4	Confident	135 Å²	135	64.2 Å²	64.2	88%	0.877	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	-9.4	172.5	28.9	-34.9	0	0	0	112.3
370	V	69.1	Low	74.6	Confident	77 Å²	77	68.5 Å²	68.5	47%	0.467	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.2	177.6	-174.2	0	0	0	0	109.6	S368 H398 S399	S368-V370 PolarHBondContact O-N 3.12Å; S368-V370 VanDerWaalsContact O-N 3.11Å; S368-V370 PolarHBondContact OG-N 3.29Å; V370-H398 WeakPolarHBondContact O-CB 3.32Å; V370-S399 PolarHBondContact O-N 2.89Å; V370-S399 PolarHBondContact O-OG 2.85Å
371	S	76.8	Confident	74.9	Confident	47 Å²	47	68.5 Å²	68.5	33%	0.329	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.4	174.6	65.9	0	0	0	0	111.4	Q373 S399	S371-Q373 PolarHBondContact O-N 2.91Å; S371-Q373 PolarHBondContact OG-NE2 3.31Å; S371-S399 CarbonylContact C-O 3.57Å; S371-S399 WeakPolarHBondContact CA-O 3.29Å; S371-S399 WeakPolarHBondContact CA-OG 3.1Å; S371-S399 WeakPolarHBondContact CB-OG 3.34Å
372	A	82.1	Confident	75.5	Confident	14 Å²	14	65.4 Å²	65.4	12%	0.116	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121.2	166.6	0	0	0	0	0	109.8	L388 H398 S399 L400 S401	A372-L388 HydrophobicContact CB-CD1 4.05Å; A372-H398 HydrophobicContact CB-CB 4.11Å; A372-S399 PolarHBondContact N-O 2.96Å; A372-L400 HydrophobicContact CB-CD2 4.37Å; A372-S401 PolarHBondContact O-N 3.42Å
373	Q	84.7	Confident	76.1	Confident	84 Å²	84	65.4 Å²	65.4	39%	0.393	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.4	179.5	-65.3	-65.3	-32.7	0	0	110.6	S371 R391 S401	S371-Q373 PolarHBondContact O-N 2.91Å; S371-Q373 PolarHBondContact OG-NE2 3.31Å; Q373-R391 PolarHBondContact O-NH1 3.46Å; Q373-R391 PolarHBondContact O-NH2 3.11Å; Q373-S401 CarbonylContact C-O 3.41Å; Q373-S401 WeakPolarHBondContact CA-O 3.3Å; Q373-S401 VanDerWaalsContact NE2-CB 3.29Å; Q373-S401 PolarHBondContact NE2-OG 2.83Å; Q373-S401 PolarHBondContact OE1-OG 3Å
374	V	86.1	Confident	76.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.2	176.2	-173.1	0	0	0	0	108	V376 A384 L388 L400 S401 V402 R403 F426	V374-V376 HydrophobicContact CG1-CG2 4.11Å; V374-A384 HydrophobicContact CG1-CB 4.09Å; V374-L388 HydrophobicContact CG2-CD1 4.2Å; V374-L388 HydrophobicContact CG2-CD2 3.78Å; V374-L388 HydrophobicContact CG2-CG 4.42Å; V374-L400 HydrophobicContact CG2-CD2 4.36Å; V374-S401 PolarHBondContact N-O 3.44Å; V374-V402 HydrophobicContact CB-CG2 4.24Å; V374-V402 WeakPolarHBondContact O-CA 3.39Å; V374-R403 PolarHBondContact O-N 3.3Å; V374-F426 HydrophobicContact CG1-CE1 4.5Å; V374-F426 HydrophobicContact CG1-CE2 4.04Å; V374-F426 HydrophobicContact CG1-CZ 3.94Å
375	E	84.8	Confident	77.8	Confident	86 Å²	86	61.9 Å²	61.9	40%	0.402	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.4	174.8	-66.7	-170.9	153.5	0	0	109	R403 K405	E375-R403 WeakPolarHBondContact CA-O 3.43Å; E375-K405 VanDerWaalsContact CD-CE 3.46Å; E375-K405 WeakPolarHBondContact OE2-CE 3.41Å; E375-K405 IonicContact OE2-NZ 3.7Å; E375-K405 PolarHBondContact OE2-NZ 2.98Å
376	V	85.1	Confident	79.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.4	-179.3	-170.3	0	0	0	0	108.8	V374 A384 V402 R403 F404 K405 F426	V374-V376 HydrophobicContact CG1-CG2 4.11Å; V376-A384 HydrophobicContact CB-CB 4.47Å; V376-A384 HydrophobicContact CG2-CB 4.05Å; V376-V402 HydrophobicContact CG2-CG1 3.76Å; V376-R403 PolarHBondContact N-O 3.19Å; V376-F404 HydrophobicContact CB-CD1 3.67Å; V376-F404 HydrophobicContact CB-CE1 3.65Å; V376-F404 HydrophobicContact CB-CG 4.15Å; V376-F404 HydrophobicContact CB-CZ 4.11Å; V376-F404 HydrophobicContact CG1-CD1 3.78Å; V376-F404 HydrophobicContact CG1-CE1 3.45Å; V376-F404 VanDerWaalsContact CG1-CE1 3.45Å; V376-F404 HydrophobicContact CG1-CZ 4.15Å; V376-F404 HydrophobicContact CG2-CE1 4.18Å; V376-F404 HydrophobicContact CG2-CE2 4.44Å; V376-F404 HydrophobicContact CG2-CZ 4.14Å; V376-F404 WeakPolarHBondContact O-CA 3.3Å; V376-K405 PolarHBondContact O-N 3.04Å; V376-F426 HydrophobicContact CG2-CD2 3.55Å; V376-F426 HydrophobicContact CG2-CE2 3.86Å; V376-F426 HydrophobicContact CG2-CG 4.48Å
377	H	81.8	Confident	81.7	Confident	92 Å²	92	59 Å²	59	43%	0.426	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-97.2	123.3	175.5	-74.2	-90.1	0	0	0	109	D379 Q380 K405	H377-D379 PolarHBondContact O-N 2.99Å; H377-Q380 WeakPolarHBondContact O-CB 3.37Å; H377-Q380 PolarHBondContact O-N 3.13Å; H377-K405 WeakPolarHBondContact CE1-CD 3.39Å; H377-K405 PolarHBondContact CE1-NZ 3Å; H377-K405 VanDerWaalsContact CE1-NZ 3.31Å; H377-K405 PolarHBondContact NE2-NZ 3.27Å
378	R	76.7	Confident	83.4	Confident	179 Å²	179	54.8 Å²	54.8	68%	0.675	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	-120.6	-173.2	-57.2	178.6	-178.9	176	-0.6	111.9	D406	R378-D406 WeakPolarHBondContact CG-OD2 3.45Å; R378-D406 PolarHBondContact N-OD2 2.88Å
379	D	76.3	Confident	85.1	Confident	94 Å²	94	54.3 Å²	54.3	50%	0.503	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	8.7	178.2	59.4	-17.1	0	0	0	112.5	H377 A381 L429 Q433	H377-D379 PolarHBondContact O-N 2.99Å; D379-A381 VanDerWaalsContact C-N 3.27Å; D379-A381 PolarHBondContact O-N 3.35Å; D379-L429 HydrophobicContact CB-CD2 4.25Å; D379-L429 WeakPolarHBondContact O-CD2 3.33Å; D379-Q433 PolarHBondContact O-NE2 3.31Å
380	Q	86.6	Confident	86.7	Confident	102 Å²	102	53.2 Å²	53.2	48%	0.477	27%	0.265	S	S	.	.			trans	-82.3	60.6	-172.1	-61	-174.7	-16.2	0	0	113.8	H377 L382 S383 A384	H377-Q380 WeakPolarHBondContact O-CB 3.37Å; H377-Q380 PolarHBondContact O-N 3.13Å; Q380-L382 PolarHBondContact O-N 3.42Å; Q380-S383 PolarHBondContact O-N 3.25Å; Q380-A384 PolarHBondContact O-N 3.11Å
381	A	90.8	Very high	87.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-41.4	-178.8	0	0	0	0	0	113.1	D379 S383 A384 G385 F426 L429 L430	D379-A381 VanDerWaalsContact C-N 3.27Å; D379-A381 PolarHBondContact O-N 3.35Å; A381-S383 PolarHBondContact O-N 3.27Å; A381-A384 PolarHBondContact O-N 2.66Å; A381-G385 PolarHBondContact O-N 3.21Å; A381-F426 HydrophobicContact CB-CD2 3.88Å; A381-F426 HydrophobicContact CB-CE2 3.9Å; A381-F426 WeakPolarHBondContact O-CE2 3.44Å; A381-L429 HydrophobicContact CB-CB 4Å; A381-L429 HydrophobicContact CB-CD2 3.95Å; A381-L429 HydrophobicContact CB-CG 3.73Å; A381-L430 HydrophobicContact CB-CB 4.13Å
382	L	94.2	Very high	88	Confident	28 Å²	28	58.2 Å²	58.2	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-44.7	179.8	177.9	58	0	0	0	112	Q380 A384 G385 L386 L430 Q433 I434 I464 L467	Q380-L382 PolarHBondContact O-N 3.42Å; L382-A384 VanDerWaalsContact C-N 3.34Å; L382-A384 PolarHBondContact O-N 2.87Å; L382-G385 PolarHBondContact O-N 3.26Å; L382-L386 HydrophobicContact CD1-CD1 4.32Å; L382-L386 HydrophobicContact CD1-CD2 4.49Å; L382-L386 HydrophobicContact CD1-CG 4.13Å; L382-L386 HydrophobicContact CG-CD1 4.23Å; L382-L386 HydrophobicContact CG-CG 4.47Å; L382-L386 VanDerWaalsContact O-CG 3.3Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 3.12Å; L382-L430 HydrophobicContact CB-CD1 4.27Å; L382-L430 HydrophobicContact CD1-CD1 4.07Å; L382-Q433 HydrophobicContact CB-CB 3.82Å; L382-Q433 HydrophobicContact CD2-CB 4.48Å; L382-I434 HydrophobicContact CD1-CG1 3.88Å; L382-I464 HydrophobicContact CD1-CD1 3.68Å; L382-L467 HydrophobicContact CD1-CD1 3.96Å
383	S	93.3	Very high	88	Confident	56 Å²	56	63.5 Å²	63.5	39%	0.392	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-45.1	176.9	-167.9	0	0	0	0	111.2	Q380 A381 G385 L386 D387	Q380-S383 PolarHBondContact O-N 3.25Å; A381-S383 PolarHBondContact O-N 3.27Å; S383-G385 VanDerWaalsContact C-N 3.31Å; S383-G385 PolarHBondContact O-N 2.88Å; S383-L386 PolarHBondContact O-N 3.29Å; S383-D387 WeakPolarHBondContact O-CB 3.22Å; S383-D387 PolarHBondContact O-N 3.23Å
384	A	92.8	Very high	88.1	Confident	8 Å²	8	61.9 Å²	61.9	7%	0.066	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-35.7	177.8	0	0	0	0	0	112.5	V374 V376 Q380 A381 L382 L388 F426	V374-A384 HydrophobicContact CG1-CB 4.09Å; V376-A384 HydrophobicContact CB-CB 4.47Å; V376-A384 HydrophobicContact CG2-CB 4.05Å; Q380-A384 PolarHBondContact O-N 3.11Å; A381-A384 PolarHBondContact O-N 2.66Å; L382-A384 VanDerWaalsContact C-N 3.34Å; L382-A384 PolarHBondContact O-N 2.87Å; A384-L388 PolarHBondContact O-N 3.5Å; A384-L388 VanDerWaalsContact O-N 3.08Å; A384-F426 HydrophobicContact CB-CE2 4.38Å
385	G	93.9	Very high	87.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.3	-46.8	172.9	0	0	0	0	0	112.5	A381 L382 S383 D387 L388 V389	A381-G385 PolarHBondContact O-N 3.21Å; L382-G385 PolarHBondContact O-N 3.26Å; S383-G385 VanDerWaalsContact C-N 3.31Å; S383-G385 PolarHBondContact O-N 2.88Å; G385-D387 VanDerWaalsContact C-N 3.32Å; G385-D387 PolarHBondContact O-N 2.74Å; G385-L388 WeakPolarHBondContact O-CA 3.32Å; G385-L388 VanDerWaalsContact O-CB 3.31Å; G385-L388 WeakPolarHBondContact O-CB 3.47Å; G385-L388 PolarHBondContact O-N 3.48Å; G385-V389 PolarHBondContact O-N 3.16Å
386	L	94.8	Very high	88	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.12	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-44.3	175.8	-67.2	174.5	0	0	0	111.2	L382 S383 L388 V389 R390 L460 D463 L467	L382-L386 HydrophobicContact CD1-CD1 4.32Å; L382-L386 HydrophobicContact CD1-CD2 4.49Å; L382-L386 HydrophobicContact CD1-CG 4.13Å; L382-L386 HydrophobicContact CG-CD1 4.23Å; L382-L386 HydrophobicContact CG-CG 4.47Å; L382-L386 VanDerWaalsContact O-CG 3.3Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 3.12Å; S383-L386 PolarHBondContact O-N 3.29Å; L386-L388 PolarHBondContact O-N 3.33Å; L386-V389 WeakPolarHBondContact O-CG2 3.39Å; L386-V389 PolarHBondContact O-N 3.21Å; L386-R390 VanDerWaalsContact O-CB 3.28Å; L386-R390 WeakPolarHBondContact O-CB 3.17Å; L386-R390 WeakPolarHBondContact O-CD 3.44Å; L386-R390 WeakPolarHBondContact O-CG 3.33Å; L386-R390 PolarHBondContact O-N 3.29Å; L386-L460 HydrophobicContact CD1-CD1 3.83Å; L386-L460 HydrophobicContact CD2-CD1 3.62Å; L386-L460 HydrophobicContact CG-CD1 4.39Å; L386-D463 HydrophobicContact CD2-CB 3.49Å; L386-D463 VanDerWaalsContact CD2-CB 3.49Å; L386-L467 HydrophobicContact CD2-CD1 3.81Å; L386-L467 HydrophobicContact CG-CD1 4.25Å
387	D	93.1	Very high	87.9	Confident	93 Å²	93	64.9 Å²	64.9	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-22.3	175.6	-73.3	-19.5	0	0	0	113.2	S383 G385 R391	S383-D387 WeakPolarHBondContact O-CB 3.22Å; S383-D387 PolarHBondContact O-N 3.23Å; G385-D387 VanDerWaalsContact C-N 3.32Å; G385-D387 PolarHBondContact O-N 2.74Å; D387-R391 WeakPolarHBondContact O-CG 3.47Å; D387-R391 PolarHBondContact O-NE 3.2Å; D387-R391 VanDerWaalsContact O-NE 3.15Å
388	L	92.9	Very high	88.1	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-77.2	-53.3	174.2	172.3	68.6	0	0	0	111.2	A372 V374 A384 G385 L386 R390 R391 F394 L400	A372-L388 HydrophobicContact CB-CD1 4.05Å; V374-L388 HydrophobicContact CG2-CD1 4.2Å; V374-L388 HydrophobicContact CG2-CD2 3.78Å; V374-L388 HydrophobicContact CG2-CG 4.42Å; A384-L388 PolarHBondContact O-N 3.5Å; A384-L388 VanDerWaalsContact O-N 3.08Å; G385-L388 WeakPolarHBondContact O-CA 3.32Å; G385-L388 VanDerWaalsContact O-CB 3.31Å; G385-L388 WeakPolarHBondContact O-CB 3.47Å; G385-L388 PolarHBondContact O-N 3.48Å; L386-L388 PolarHBondContact O-N 3.33Å; L388-R390 VanDerWaalsContact C-N 3.25Å; L388-R390 PolarHBondContact O-N 2.76Å; L388-R391 WeakPolarHBondContact O-CG 3.15Å; L388-R391 PolarHBondContact O-N 3.24Å; L388-F394 HydrophobicContact CD1-CD2 3.99Å; L388-F394 HydrophobicContact CD1-CE2 4.23Å; L388-F394 HydrophobicContact CD2-CE2 4.17Å; L388-F394 HydrophobicContact CG-CD2 3.92Å; L388-F394 HydrophobicContact CG-CE2 3.85Å; L388-F394 WeakPolarHBondContact O-CD2 3.33Å; L388-L400 HydrophobicContact CD2-CD2 3.75Å
389	V	93.4	Very high	88.4	Confident	18 Å²	18	55.8 Å²	55.8	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-70.5	-24	-174.9	-61.5	0	0	0	0	112.5	G385 L386 R391 F394 D463 L467 L470	G385-V389 PolarHBondContact O-N 3.16Å; L386-V389 WeakPolarHBondContact O-CG2 3.39Å; L386-V389 PolarHBondContact O-N 3.21Å; V389-R391 VanDerWaalsContact C-N 3.33Å; V389-R391 PolarHBondContact O-N 2.99Å; V389-F394 HydrophobicContact CB-CD1 4.47Å; V389-F394 HydrophobicContact CB-CE1 4.34Å; V389-F394 HydrophobicContact CG1-CE1 4.13Å; V389-F394 HydrophobicContact CG1-CE2 4.39Å; V389-F394 HydrophobicContact CG1-CZ 3.99Å; V389-D463 HydrophobicContact CG2-CB 4.09Å; V389-L467 HydrophobicContact CG1-CD2 3.73Å; V389-L467 HydrophobicContact CG1-CG 4.13Å; V389-L470 HydrophobicContact CG1-CD1 3.76Å
390	R	91.9	Very high	88.9	Confident	112 Å²	112	52 Å²	52	42%	0.423	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.6	177	-67.5	172.3	175.1	-178.1	-5.4	114.2	L386 L388 E458 D463	L386-R390 VanDerWaalsContact O-CB 3.28Å; L386-R390 WeakPolarHBondContact O-CB 3.17Å; L386-R390 WeakPolarHBondContact O-CD 3.44Å; L386-R390 WeakPolarHBondContact O-CG 3.33Å; L386-R390 PolarHBondContact O-N 3.29Å; L388-R390 VanDerWaalsContact C-N 3.25Å; L388-R390 PolarHBondContact O-N 2.76Å; R390-E458 PolarHBondContact NH2-O 3.22Å; R390-D463 IonicContact CZ-OD2 3.3Å; R390-D463 IonicContact NE-OD1 2.7Å; R390-D463 IonicContact NE-OD2 3.54Å; R390-D463 PolarHBondContact NE-OD2 2.86Å; R390-D463 IonicContact NH2-OD2 3.12Å; R390-D463 PolarHBondContact NH2-OD2 3.3Å
391	R	90.1	Very high	88.8	Confident	96 Å²	96	49 Å²	49	36%	0.362	26%	0.264	S	S	.	.	S	Bend	trans	-72.1	141.4	178.3	-57.7	-178.3	-175.4	169.1	-0.5	110.7	Q373 D387 L388 V389 N393 F394	Q373-R391 PolarHBondContact O-NH1 3.46Å; Q373-R391 PolarHBondContact O-NH2 3.11Å; D387-R391 WeakPolarHBondContact O-CG 3.47Å; D387-R391 PolarHBondContact O-NE 3.2Å; D387-R391 VanDerWaalsContact O-NE 3.15Å; L388-R391 WeakPolarHBondContact O-CG 3.15Å; L388-R391 PolarHBondContact O-N 3.24Å; V389-R391 VanDerWaalsContact C-N 3.33Å; V389-R391 PolarHBondContact O-N 2.99Å; R391-N393 WeakPolarHBondContact CB-OD1 3.34Å; R391-N393 PolarHBondContact O-N 3.08Å; R391-N393 VanDerWaalsContact O-N 3.15Å; R391-F394 HydrophobicContact CB-CB 4.23Å; R391-F394 VanDerWaalsContact O-CB 3.24Å; R391-F394 WeakPolarHBondContact O-CB 3.45Å; R391-F394 PolarHBondContact O-N 2.93Å; R391-F394 VanDerWaalsContact O-N 3.08Å
392	T	82.1	Confident	88.6	Confident	134 Å²	134	49.8 Å²	49.8	82%	0.822	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.2	179.2	55.5	0	0	0	0	114.1
393	N	83.3	Confident	88.1	Confident	124 Å²	124	55.5 Å²	55.5	66%	0.663	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	18.8	178.3	68.4	-26	0	0	0	112.2	R391 D395	R391-N393 WeakPolarHBondContact CB-OD1 3.34Å; R391-N393 PolarHBondContact O-N 3.08Å; R391-N393 VanDerWaalsContact O-N 3.15Å; N393-D395 PolarHBondContact O-N 3.13Å
394	F	85.7	Confident	87.5	Confident	50 Å²	50	53.4 Å²	53.4	22%	0.219	27%	0.272	C	S	.	.			trans	-64.8	125.8	177	175.4	-112.8	0	0	0	110	L388 V389 R391 P396 L470	L388-F394 HydrophobicContact CD1-CD2 3.99Å; L388-F394 HydrophobicContact CD1-CE2 4.23Å; L388-F394 HydrophobicContact CD2-CE2 4.17Å; L388-F394 HydrophobicContact CG-CD2 3.92Å; L388-F394 HydrophobicContact CG-CE2 3.85Å; L388-F394 WeakPolarHBondContact O-CD2 3.33Å; V389-F394 HydrophobicContact CB-CD1 4.47Å; V389-F394 HydrophobicContact CB-CE1 4.34Å; V389-F394 HydrophobicContact CG1-CE1 4.13Å; V389-F394 HydrophobicContact CG1-CE2 4.39Å; V389-F394 HydrophobicContact CG1-CZ 3.99Å; R391-F394 HydrophobicContact CB-CB 4.23Å; R391-F394 VanDerWaalsContact O-CB 3.24Å; R391-F394 WeakPolarHBondContact O-CB 3.45Å; R391-F394 PolarHBondContact O-N 2.93Å; R391-F394 VanDerWaalsContact O-N 3.08Å; F394-P396 HydrophobicContact CE1-CB 3.93Å; F394-P396 HydrophobicContact CE1-CG 4.41Å; F394-P396 HydrophobicContact CZ-CB 3.73Å; F394-L470 HydrophobicContact CE2-CD1 4.26Å; F394-L470 HydrophobicContact CZ-CD1 3.75Å; F394-L470 HydrophobicContact CZ-CD2 4.18Å; F394-L470 HydrophobicContact CZ-CG 4.46Å
395	D	83.3	Confident	86.5	Confident	61 Å²	61	57.5 Å²	57.5	33%	0.326	29%	0.288	S	S	.	.			trans	-124.7	116.3	170.3	-176.5	-24.6	0	0	0	107.2	N393 T397 H398	N393-D395 PolarHBondContact O-N 3.13Å; D395-T397 VanDerWaalsContact CG-OG1 3.25Å; D395-T397 PolarHBondContact O-N 3.39Å; D395-T397 WeakPolarHBondContact OD1-CB 3.27Å; D395-T397 WeakPolarHBondContact OD1-CG2 3.49Å; D395-T397 PolarHBondContact OD1-N 3.38Å; D395-T397 PolarHBondContact OD1-OG1 2.97Å; D395-T397 PolarHBondContact OD2-OG1 3.27Å; D395-H398 WeakPolarHBondContact O-CB 3.4Å; D395-H398 PolarHBondContact O-N 3.37Å; D395-H398 IonicContact OD2-CD2 3.87Å; D395-H398 IonicContact OD2-NE2 3.26Å
396	P	85.9	Confident	85.1	Confident	32 Å²	32	60.7 Å²	60.7	21%	0.208	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.1	-176.3	29.1	-36.1	0	0	0	113.5	F394 H398 L470 H474 T581 L582	F394-P396 HydrophobicContact CE1-CB 3.93Å; F394-P396 HydrophobicContact CE1-CG 4.41Å; F394-P396 HydrophobicContact CZ-CB 3.73Å; P396-H398 VanDerWaalsContact C-N 3.3Å; P396-L470 HydrophobicContact CB-CD2 3.96Å; P396-H474 PolarHBondContact O-NE2 2.98Å; P396-T581 HydrophobicContact CB-CG2 3.6Å; P396-T581 HydrophobicContact CG-CG2 4.16Å; P396-L582 HydrophobicContact CB-CD1 4.41Å; P396-L582 HydrophobicContact CB-CD2 3.86Å; P396-L582 HydrophobicContact CB-CG 3.93Å; P396-L582 HydrophobicContact CG-CD2 4.11Å; P396-L582 HydrophobicContact CG-CG 4.48Å
397	T	84.3	Confident	83.2	Confident	57 Å²	57	65.1 Å²	65.1	35%	0.35	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.3	179	70.9	0	0	0	0	113.3	D395 L582	D395-T397 VanDerWaalsContact CG-OG1 3.25Å; D395-T397 PolarHBondContact O-N 3.39Å; D395-T397 WeakPolarHBondContact OD1-CB 3.27Å; D395-T397 WeakPolarHBondContact OD1-CG2 3.49Å; D395-T397 PolarHBondContact OD1-N 3.38Å; D395-T397 PolarHBondContact OD1-OG1 2.97Å; D395-T397 PolarHBondContact OD2-OG1 3.27Å; T397-L582 HydrophobicContact CG2-CD2 3.96Å
398	H	85.2	Confident	81.1	Confident	39 Å²	39	69.5 Å²	69.5	18%	0.181	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.2	177.1	-72.1	176.2	0	0	0	111.7	S368 V370 A372 D395 P396 H474	S368-H398 VanDerWaalsContact CB-CD2 3.44Å; S368-H398 WeakPolarHBondContact CB-CD2 3.25Å; S368-H398 PolarHBondContact OG-CD2 3.26Å; V370-H398 WeakPolarHBondContact O-CB 3.32Å; A372-H398 HydrophobicContact CB-CB 4.11Å; D395-H398 WeakPolarHBondContact O-CB 3.4Å; D395-H398 PolarHBondContact O-N 3.37Å; D395-H398 IonicContact OD2-CD2 3.87Å; D395-H398 IonicContact OD2-NE2 3.26Å; P396-H398 VanDerWaalsContact C-N 3.3Å; H398-H474 PolarHBondContact O-CE1 3.25Å
399	S	83	Confident	78.9	Confident	41 Å²	41	77.4 Å²	77.4	29%	0.287	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	145.3	173.7	56.6	0	0	0	0	110.8	V370 S371 A372	V370-S399 PolarHBondContact O-N 2.89Å; V370-S399 PolarHBondContact O-OG 2.85Å; S371-S399 CarbonylContact C-O 3.57Å; S371-S399 WeakPolarHBondContact CA-O 3.29Å; S371-S399 WeakPolarHBondContact CA-OG 3.1Å; S371-S399 WeakPolarHBondContact CB-OG 3.34Å; A372-S399 PolarHBondContact N-O 2.96Å
400	L	85.8	Confident	76.8	Confident	14 Å²	14	78.9 Å²	78.9	7%	0.073	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.5	179.3	-60.4	177.5	0	0	0	110.6	A372 V374 L388 R423 L427 H474	A372-L400 HydrophobicContact CB-CD2 4.37Å; V374-L400 HydrophobicContact CG2-CD2 4.36Å; L388-L400 HydrophobicContact CD2-CD2 3.75Å; L400-R423 HydrophobicContact CB-CG 4.32Å; L400-L427 HydrophobicContact CD1-CD2 4.18Å; L400-H474 HydrophobicContact CD1-CB 4Å
401	S	85.1	Confident	74.7	Confident	39 Å²	39	79.1 Å²	79.1	27%	0.273	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109	170.8	170.1	0	0	0	0	108.8	A372 Q373 V374	A372-S401 PolarHBondContact O-N 3.42Å; Q373-S401 CarbonylContact C-O 3.41Å; Q373-S401 WeakPolarHBondContact CA-O 3.3Å; Q373-S401 VanDerWaalsContact NE2-CB 3.29Å; Q373-S401 PolarHBondContact NE2-OG 2.83Å; Q373-S401 PolarHBondContact OE1-OG 3Å; V374-S401 PolarHBondContact N-O 3.44Å
402	V	86.1	Confident	72.6	Confident	16 Å²	16	77.6 Å²	77.6	10%	0.097	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134	-173	-173.4	0	0	0	0	111.1	V374 V376 F404 T422 R423 F426	V374-V402 HydrophobicContact CB-CG2 4.24Å; V374-V402 WeakPolarHBondContact O-CA 3.39Å; V376-V402 HydrophobicContact CG2-CG1 3.76Å; V402-F404 HydrophobicContact CG1-CD2 4.15Å; V402-F404 HydrophobicContact CG1-CE2 3.72Å; V402-F404 HydrophobicContact CG1-CZ 4.45Å; V402-T422 HydrophobicContact CB-CG2 4.18Å; V402-T422 HydrophobicContact CG1-CG2 4.24Å; V402-T422 WeakPolarHBondContact O-CG2 3.44Å; V402-R423 HydrophobicContact CG2-CB 4.32Å; V402-F426 HydrophobicContact CB-CB 4.43Å; V402-F426 HydrophobicContact CG1-CB 3.83Å; V402-F426 HydrophobicContact CG1-CD2 4.34Å; V402-F426 HydrophobicContact CG1-CG 4.03Å; V402-F426 HydrophobicContact CG2-CB 4.1Å; V402-F426 HydrophobicContact CG2-CD1 3.88Å; V402-F426 HydrophobicContact CG2-CG 4.05Å
403	R	83.4	Confident	70.7	Confident	149 Å²	149	75.1 Å²	75.1	56%	0.562	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	127.4	173.6	-174.4	-177.1	-66.2	176.3	-1.3	110.3	V374 E375 V376	V374-R403 PolarHBondContact O-N 3.3Å; E375-R403 WeakPolarHBondContact CA-O 3.43Å; V376-R403 PolarHBondContact N-O 3.19Å
404	F	80.9	Confident	68.7	Low	11 Å²	11	74 Å²	74	5%	0.048	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	172.3	-72	-101.2	0	0	0	109.8	V376 V402 L410 T422 Y425 F426	V376-F404 HydrophobicContact CB-CD1 3.67Å; V376-F404 HydrophobicContact CB-CE1 3.65Å; V376-F404 HydrophobicContact CB-CG 4.15Å; V376-F404 HydrophobicContact CB-CZ 4.11Å; V376-F404 HydrophobicContact CG1-CD1 3.78Å; V376-F404 HydrophobicContact CG1-CE1 3.45Å; V376-F404 VanDerWaalsContact CG1-CE1 3.45Å; V376-F404 HydrophobicContact CG1-CZ 4.15Å; V376-F404 HydrophobicContact CG2-CE1 4.18Å; V376-F404 HydrophobicContact CG2-CE2 4.44Å; V376-F404 HydrophobicContact CG2-CZ 4.14Å; V376-F404 WeakPolarHBondContact O-CA 3.3Å; V402-F404 HydrophobicContact CG1-CD2 4.15Å; V402-F404 HydrophobicContact CG1-CE2 3.72Å; V402-F404 HydrophobicContact CG1-CZ 4.45Å; F404-L410 HydrophobicContact CB-CD1 3.61Å; F404-L410 HydrophobicContact CD1-CD1 4.36Å; F404-L410 HydrophobicContact CD1-CD2 4.13Å; F404-L410 HydrophobicContact CE1-CD2 4.5Å; F404-L410 HydrophobicContact CG-CD1 3.96Å; F404-L410 HydrophobicContact CG-CD2 4.48Å; F404-T422 HydrophobicContact CD2-CG2 3.6Å; F404-T422 HydrophobicContact CE2-CG2 3.67Å; F404-Y425 HydrophobicContact CE1-CD1 4.29Å; F404-Y425 HydrophobicContact CE1-CE1 4.08Å; F404-Y425 HydrophobicContact CE2-CD1 4.02Å; F404-Y425 AromaticContact CZ-CD1 3.63Å; F404-Y425 HydrophobicContact CZ-CD1 3.63Å; F404-Y425 AromaticContact CZ-CE1 3.89Å; F404-Y425 HydrophobicContact CZ-CE1 3.89Å; F404-F426 HydrophobicContact CE2-CB 4.31Å; F404-F426 HydrophobicContact CZ-CB 4.14Å
405	K	71.7	Confident	66.8	Low	94 Å²	94	75.9 Å²	75.9	41%	0.409	40%	0.403	S	S	.	.	S	Bend	trans	-80.6	-23	-177.4	-80.9	173.2	176	166.8	0	114	E375 V376 H377 E407	E375-K405 VanDerWaalsContact CD-CE 3.46Å; E375-K405 WeakPolarHBondContact OE2-CE 3.41Å; E375-K405 IonicContact OE2-NZ 3.7Å; E375-K405 PolarHBondContact OE2-NZ 2.98Å; V376-K405 PolarHBondContact O-N 3.04Å; H377-K405 WeakPolarHBondContact CE1-CD 3.39Å; H377-K405 PolarHBondContact CE1-NZ 3Å; H377-K405 VanDerWaalsContact CE1-NZ 3.31Å; H377-K405 PolarHBondContact NE2-NZ 3.27Å; K405-E407 PolarHBondContact O-N 3.24Å
406	D	65.4	Low	64.9	Low	68 Å²	68	79.8 Å²	79.8	36%	0.364	42%	0.419	S	S	.	.			trans	-102.5	68.5	-177.1	-63.8	-51.6	0	0	0	111	R378 Q408	R378-D406 WeakPolarHBondContact CG-OD2 3.45Å; R378-D406 PolarHBondContact N-OD2 2.88Å; D406-Q408 PolarHBondContact O-N 2.89Å; D406-Q408 VanDerWaalsContact O-N 3.07Å
407	E	54.1	Low	63.3	Low	116 Å²	116	86 Å²	86	54%	0.542	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.2	-175.9	-64.2	-156.3	155.8	0	0	115.1	K405 R417	K405-E407 PolarHBondContact O-N 3.24Å; E407-R417 IonicContact OE1-NH1 3.78Å; E407-R417 PolarHBondContact OE1-NH1 2.92Å; E407-R417 VanDerWaalsContact OE1-NH1 3.12Å; E407-R417 IonicContact OE2-CZ 2.72Å; E407-R417 IonicContact OE2-NH1 3.01Å; E407-R417 PolarHBondContact OE2-NH1 3Å
408	Q	49.9	Very low	62	Low	185 Å²	185	87 Å²	87	86%	0.864	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.2	-175.3	-66.1	-179.8	-3	0	0	114.1	D406	D406-Q408 PolarHBondContact O-N 2.89Å; D406-Q408 VanDerWaalsContact O-N 3.07Å
409	H	46.1	Very low	60.9	Low	170 Å²	170	87.9 Å²	87.9	79%	0.787	46%	0.464	S	S	*	.	S	Bend	trans	-123.7	3.1	-175.7	-76	-77.2	0	0	0	114.4	T411	H409-T411 PolarHBondContact O-N 3.38Å
410	L	49.5	Very low	60.2	Low	49 Å²	49	90.7 Å²	90.7	26%	0.257	48%	0.475	S	S	.	.			trans	-78.6	121.7	175.7	-72	164.3	0	0	0	109.9	F404 L412 Y425	F404-L410 HydrophobicContact CB-CD1 3.61Å; F404-L410 HydrophobicContact CD1-CD1 4.36Å; F404-L410 HydrophobicContact CD1-CD2 4.13Å; F404-L410 HydrophobicContact CE1-CD2 4.5Å; F404-L410 HydrophobicContact CG-CD1 3.96Å; F404-L410 HydrophobicContact CG-CD2 4.48Å; L410-L412 HydrophobicContact CB-CD1 4.1Å; L410-L412 HydrophobicContact CD1-CD1 4.44Å; L410-L412 HydrophobicContact CD2-CD1 4.12Å; L410-L412 HydrophobicContact CG-CD1 4.46Å; L410-L412 PolarHBondContact O-N 3.23Å; L410-Y425 HydrophobicContact CD2-CE1 3.91Å
411	T	47.7	Very low	59.4	Low	117 Å²	117	91.8 Å²	91.8	72%	0.718	49%	0.486	S	S	*	.			trans	-70.7	39.2	167.1	37.5	0	0	0	0	112.1	H409	H409-T411 PolarHBondContact O-N 3.38Å
412	L	45.7	Very low	59	Low	64 Å²	64	91.1 Å²	91.1	34%	0.335	48%	0.481	S	S	.	.			trans	-94	124.1	173.3	-92.1	124.8	0	0	0	109.5	L410 S414 Y425	L410-L412 HydrophobicContact CB-CD1 4.1Å; L410-L412 HydrophobicContact CD1-CD1 4.44Å; L410-L412 HydrophobicContact CD2-CD1 4.12Å; L410-L412 HydrophobicContact CG-CD1 4.46Å; L410-L412 PolarHBondContact O-N 3.23Å; L412-S414 PolarHBondContact O-N 2.93Å; L412-Y425 HydrophobicContact CD1-CD1 3.85Å; L412-Y425 HydrophobicContact CD1-CE1 4.02Å; L412-Y425 HydrophobicContact CD1-CG 4.12Å
413	P	41.8	Very low	58.9	Low	81 Å²	81	93.1 Å²	93.1	53%	0.526	49%	0.487	S	S	.	.			trans	-55.1	129.8	175.4	-23.4	33.1	0	0	0	110.6	T415	P413-T415 PolarHBondContact O-N 3.24Å
414	S	43.1	Very low	58.7	Low	102 Å²	102	88.3 Å²	88.3	71%	0.713	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	15.6	-165	42.6	0	0	0	0	115.9	L412	L412-S414 PolarHBondContact O-N 2.93Å
415	T	44.5	Very low	58.8	Low	88 Å²	88	91.2 Å²	91.2	54%	0.54	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	2.1	-171.1	48.5	0	0	0	0	117.2	P413	P413-T415 PolarHBondContact O-N 3.24Å
416	H	44.4	Very low	59.5	Low	143 Å²	143	86.9 Å²	86.9	66%	0.662	46%	0.462	S	S	*	.			trans	-138.3	67.1	167	-77.1	-72	0	0	0	112.4	T418	H416-T418 PolarHBondContact O-N 3.46Å
417	R	51.9	Low	60.7	Low	164 Å²	164	83.7 Å²	83.7	62%	0.619	45%	0.445	S	S	*	.			trans	-78.8	58.8	164	-71.3	-171.4	-131	-152.3	0.5	110.9	E407	E407-R417 IonicContact OE1-NH1 3.78Å; E407-R417 PolarHBondContact OE1-NH1 2.92Å; E407-R417 VanDerWaalsContact OE1-NH1 3.12Å; E407-R417 IonicContact OE2-CZ 2.72Å; E407-R417 IonicContact OE2-NH1 3.01Å; E407-R417 PolarHBondContact OE2-NH1 3Å
418	T	56.5	Low	62.1	Low	77 Å²	77	80.7 Å²	80.7	47%	0.472	43%	0.433	S	S	.	.			trans	-78.3	143.3	160.9	35	0	0	0	0	108.2	H416 D420 A421	H416-T418 PolarHBondContact O-N 3.46Å; T418-D420 PolarHBondContact O-N 2.99Å; T418-A421 PolarHBondContact O-N 3.41Å
419	G	63.1	Low	63.9	Low	57 Å²	57	72.9 Å²	72.9	59%	0.588	40%	0.397	S	S	*	.	H	α-helix	trans	-54	-26.4	-179.4	0	0	0	0	0	113.5	R423	G419-R423 WeakPolarHBondContact O-CB 3.31Å; G419-R423 PolarHBondContact O-N 2.99Å; G419-R423 VanDerWaalsContact O-N 3.12Å
420	D	68.1	Low	66.1	Low	100 Å²	100	64.9 Å²	64.9	54%	0.535	36%	0.36	S	S	.	.	H	α-helix	trans	-69.4	-40.2	177.5	-68.5	-34	0	0	0	114.1	T418 R423 K424	T418-D420 PolarHBondContact O-N 2.99Å; D420-R423 PolarHBondContact O-N 2.91Å; D420-R423 IonicContact OD1-CZ 3.57Å; D420-R423 IonicContact OD1-NE 3.71Å; D420-R423 IonicContact OD1-NH2 2.66Å; D420-R423 PolarHBondContact OD1-NH2 3.43Å; D420-K424 WeakPolarHBondContact O-CB 3.41Å; D420-K424 PolarHBondContact O-N 2.86Å
421	A	69.1	Low	68.2	Low	37 Å²	37	63 Å²	63	31%	0.306	35%	0.35	S	S	.	.	H	α-helix	trans	-67.6	-41.9	179.8	0	0	0	0	0	111.4	T418 K424 Y425	T418-A421 PolarHBondContact O-N 3.41Å; A421-K424 PolarHBondContact O-N 3.3Å; A421-Y425 PolarHBondContact O-N 2.97Å
422	T	76.1	Confident	70.2	Confident	25 Å²	25	62.8 Å²	62.8	15%	0.153	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-38.3	176.8	-51.2	0	0	0	0	112.1	V402 F404 F426	V402-T422 HydrophobicContact CB-CG2 4.18Å; V402-T422 HydrophobicContact CG1-CG2 4.24Å; V402-T422 WeakPolarHBondContact O-CG2 3.44Å; F404-T422 HydrophobicContact CD2-CG2 3.6Å; F404-T422 HydrophobicContact CE2-CG2 3.67Å; T422-F426 PolarHBondContact O-N 3.08Å; T422-F426 VanDerWaalsContact O-N 3.13Å
423	R	83.9	Confident	72.5	Confident	58 Å²	58	62 Å²	62	22%	0.219	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-48.4	173.2	175	178.8	58.6	157	-6.4	111.3	L400 V402 G419 D420 F426 L427 H474	L400-R423 HydrophobicContact CB-CG 4.32Å; V402-R423 HydrophobicContact CG2-CB 4.32Å; G419-R423 WeakPolarHBondContact O-CB 3.31Å; G419-R423 PolarHBondContact O-N 2.99Å; G419-R423 VanDerWaalsContact O-N 3.12Å; D420-R423 PolarHBondContact O-N 2.91Å; D420-R423 IonicContact OD1-CZ 3.57Å; D420-R423 IonicContact OD1-NE 3.71Å; D420-R423 IonicContact OD1-NH2 2.66Å; D420-R423 PolarHBondContact OD1-NH2 3.43Å; R423-F426 WeakPolarHBondContact O-CB 3.38Å; R423-F426 PolarHBondContact O-N 3.23Å; R423-L427 HydrophobicContact CG-CD1 4.21Å; R423-L427 WeakPolarHBondContact O-CG 3.18Å; R423-L427 PolarHBondContact O-N 3.17Å; R423-H474 PolarHBondContact NH1-O 2.97Å
424	K	80.3	Confident	75.1	Confident	48 Å²	48	58.1 Å²	58.1	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-50.4	179.8	-179.7	165.9	178.4	157.8	0	111.4	D420 A421 F426 L427 D428 E664	D420-K424 WeakPolarHBondContact O-CB 3.41Å; D420-K424 PolarHBondContact O-N 2.86Å; A421-K424 PolarHBondContact O-N 3.3Å; K424-F426 VanDerWaalsContact C-N 3.27Å; K424-F426 PolarHBondContact O-N 2.85Å; K424-L427 PolarHBondContact O-N 3.38Å; K424-D428 PolarHBondContact O-N 2.88Å; K424-E664 PolarHBondContact NZ-O 2.87Å
425	Y	81.1	Confident	77.5	Confident	73 Å²	73	55.3 Å²	55.3	29%	0.286	29%	0.286	S	S	.	.	H	α-helix	trans	-55.8	-40.6	176.6	180	-107.8	0	0	0	113.1	F404 L410 L412 A421 D428 L429	F404-Y425 HydrophobicContact CE1-CD1 4.29Å; F404-Y425 HydrophobicContact CE1-CE1 4.08Å; F404-Y425 HydrophobicContact CE2-CD1 4.02Å; F404-Y425 AromaticContact CZ-CD1 3.63Å; F404-Y425 HydrophobicContact CZ-CD1 3.63Å; F404-Y425 AromaticContact CZ-CE1 3.89Å; F404-Y425 HydrophobicContact CZ-CE1 3.89Å; L410-Y425 HydrophobicContact CD2-CE1 3.91Å; L412-Y425 HydrophobicContact CD1-CD1 3.85Å; L412-Y425 HydrophobicContact CD1-CE1 4.02Å; L412-Y425 HydrophobicContact CD1-CG 4.12Å; A421-Y425 PolarHBondContact O-N 2.97Å; Y425-D428 PolarHBondContact O-N 2.88Å; Y425-L429 HydrophobicContact CE1-CD2 4.46Å; Y425-L429 WeakPolarHBondContact O-CB 3.32Å; Y425-L429 PolarHBondContact O-N 3.43Å
426	F	88.1	Confident	79.9	Confident	3 Å²	3	56.1 Å²	56.1	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-42.8	174.3	164	-100.4	0	0	0	112.9	V374 V376 A381 A384 V402 F404 T422 R423 K424 L429 L430	V374-F426 HydrophobicContact CG1-CE1 4.5Å; V374-F426 HydrophobicContact CG1-CE2 4.04Å; V374-F426 HydrophobicContact CG1-CZ 3.94Å; V376-F426 HydrophobicContact CG2-CD2 3.55Å; V376-F426 HydrophobicContact CG2-CE2 3.86Å; V376-F426 HydrophobicContact CG2-CG 4.48Å; A381-F426 HydrophobicContact CB-CD2 3.88Å; A381-F426 HydrophobicContact CB-CE2 3.9Å; A381-F426 WeakPolarHBondContact O-CE2 3.44Å; A384-F426 HydrophobicContact CB-CE2 4.38Å; V402-F426 HydrophobicContact CB-CB 4.43Å; V402-F426 HydrophobicContact CG1-CB 3.83Å; V402-F426 HydrophobicContact CG1-CD2 4.34Å; V402-F426 HydrophobicContact CG1-CG 4.03Å; V402-F426 HydrophobicContact CG2-CB 4.1Å; V402-F426 HydrophobicContact CG2-CD1 3.88Å; V402-F426 HydrophobicContact CG2-CG 4.05Å; F404-F426 HydrophobicContact CE2-CB 4.31Å; F404-F426 HydrophobicContact CZ-CB 4.14Å; T422-F426 PolarHBondContact O-N 3.08Å; T422-F426 VanDerWaalsContact O-N 3.13Å; R423-F426 WeakPolarHBondContact O-CB 3.38Å; R423-F426 PolarHBondContact O-N 3.23Å; K424-F426 VanDerWaalsContact C-N 3.27Å; K424-F426 PolarHBondContact O-N 2.85Å; F426-L429 PolarHBondContact O-N 2.9Å; F426-L430 HydrophobicContact CE1-CD2 4Å; F426-L430 HydrophobicContact CZ-CD2 3.93Å; F426-L430 WeakPolarHBondContact O-CB 3.4Å; F426-L430 PolarHBondContact O-N 3.38Å
427	L	89.7	Confident	82.3	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-37.6	178.9	-64.6	177.5	0	0	0	111.8	L400 R423 K424 L430 M431 H474	L400-L427 HydrophobicContact CD1-CD2 4.18Å; R423-L427 HydrophobicContact CG-CD1 4.21Å; R423-L427 WeakPolarHBondContact O-CG 3.18Å; R423-L427 PolarHBondContact O-N 3.17Å; K424-L427 PolarHBondContact O-N 3.38Å; L427-L430 PolarHBondContact O-N 3.43Å; L427-M431 WeakPolarHBondContact O-CB 3.31Å; L427-M431 PolarHBondContact O-N 3.45Å; L427-H474 HydrophobicContact CD1-CB 4.15Å
428	D	84.4	Confident	84.4	Confident	53 Å²	53	46.5 Å²	46.5	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-49.7	175.3	-64	-31	0	0	0	110.9	K424 Y425 L430 M431 Q432 P477	K424-D428 PolarHBondContact O-N 2.88Å; Y425-D428 PolarHBondContact O-N 2.88Å; D428-L430 VanDerWaalsContact C-N 3.33Å; D428-L430 PolarHBondContact O-N 3.42Å; D428-M431 PolarHBondContact O-N 3.31Å; D428-Q432 PolarHBondContact O-N 2.88Å; D428-P477 VanDerWaalsContact OD1-CD 3.3Å; D428-P477 WeakPolarHBondContact OD1-CD 3.49Å
429	L	87	Confident	86.3	Confident	20 Å²	20	42.8 Å²	42.8	11%	0.105	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-38.2	177.5	-173.6	59.3	0	0	0	112	D379 A381 Y425 F426 Q432 Q433	D379-L429 HydrophobicContact CB-CD2 4.25Å; D379-L429 WeakPolarHBondContact O-CD2 3.33Å; A381-L429 HydrophobicContact CB-CB 4Å; A381-L429 HydrophobicContact CB-CD2 3.95Å; A381-L429 HydrophobicContact CB-CG 3.73Å; Y425-L429 HydrophobicContact CE1-CD2 4.46Å; Y425-L429 WeakPolarHBondContact O-CB 3.32Å; Y425-L429 PolarHBondContact O-N 3.43Å; F426-L429 PolarHBondContact O-N 2.9Å; L429-Q432 PolarHBondContact O-N 3.44Å; L429-Q433 WeakPolarHBondContact O-CG 3.16Å; L429-Q433 PolarHBondContact O-N 3.2Å
430	L	92.8	Very high	87.9	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-47.7	175.3	177.3	60.3	0	0	0	110.8	A381 L382 F426 L427 D428 Q432 Q433 I434 L467 C471	A381-L430 HydrophobicContact CB-CB 4.13Å; L382-L430 HydrophobicContact CB-CD1 4.27Å; L382-L430 HydrophobicContact CD1-CD1 4.07Å; F426-L430 HydrophobicContact CE1-CD2 4Å; F426-L430 HydrophobicContact CZ-CD2 3.93Å; F426-L430 WeakPolarHBondContact O-CB 3.4Å; F426-L430 PolarHBondContact O-N 3.38Å; L427-L430 PolarHBondContact O-N 3.43Å; D428-L430 VanDerWaalsContact C-N 3.33Å; D428-L430 PolarHBondContact O-N 3.42Å; L430-Q432 VanDerWaalsContact C-N 3.34Å; L430-Q432 PolarHBondContact O-N 3.49Å; L430-Q433 PolarHBondContact O-N 2.56Å; L430-I434 HydrophobicContact CD1-CD1 3.91Å; L430-I434 HydrophobicContact CD1-CG1 4.08Å; L430-I434 HydrophobicContact CG-CD1 3.83Å; L430-I434 HydrophobicContact CG-CG1 4.4Å; L430-I434 VanDerWaalsContact O-CG1 3.26Å; L430-I434 WeakPolarHBondContact O-CG1 3.37Å; L430-I434 PolarHBondContact O-N 2.8Å; L430-L467 HydrophobicContact CD1-CD1 4.42Å; L430-L467 HydrophobicContact CD2-CD2 4.14Å; L430-C471 VanDerWaalsContact CD2-SG 3.58Å
431	M	93.1	Very high	89.2	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-45.5	178.5	-170.1	63.5	77.9	0	0	111.3	L427 D428 Q433 I434 Q435 L468 C471 P477 I479 F481	L427-M431 WeakPolarHBondContact O-CB 3.31Å; L427-M431 PolarHBondContact O-N 3.45Å; D428-M431 PolarHBondContact O-N 3.31Å; M431-Q433 VanDerWaalsContact C-N 3.31Å; M431-Q433 PolarHBondContact O-N 3.43Å; M431-I434 PolarHBondContact O-N 2.8Å; M431-Q435 WeakPolarHBondContact O-CB 3.4Å; M431-Q435 PolarHBondContact O-N 3.5Å; M431-L468 HydrophobicContact CE-CD2 4.19Å; M431-L468 HydrophobicContact SD-CD2 3.74Å; M431-C471 HydrophobicContact CE-CB 3.71Å; M431-P477 HydrophobicContact CB-CG 3.8Å; M431-P477 HydrophobicContact CE-CG 4.46Å; M431-P477 WeakPolarHBondContact CE-O 3.35Å; M431-P477 HydrophobicContact CG-CG 4.01Å; M431-I479 HydrophobicContact CE-CG1 3.87Å; M431-I479 HydrophobicContact SD-CG1 4.32Å; M431-F481 HydrophobicContact CG-CE1 4.43Å; M431-F481 HydrophobicContact SD-CE1 3.78Å
432	Q	90.4	Very high	90.3	Very high	111 Å²	111	38.2 Å²	38.2	52%	0.519	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-40.6	176.8	-172.2	-174.6	4.6	0	0	112.1	D428 L429 L430 N436	D428-Q432 PolarHBondContact O-N 2.88Å; L429-Q432 PolarHBondContact O-N 3.44Å; L430-Q432 VanDerWaalsContact C-N 3.34Å; L430-Q432 PolarHBondContact O-N 3.49Å; Q432-N436 PolarHBondContact O-N 3.08Å; Q432-N436 PolarHBondContact O-ND2 2.95Å
433	Q	94.1	Very high	90.9	Very high	48 Å²	48	40 Å²	40	22%	0.224	21%	0.206	C	C	.	.	H	α-helix	trans	-74.5	-35.2	178.6	-72.2	-176.6	1.7	0	0	113.1	D379 L382 L429 L430 M431 N436 S437	D379-Q433 PolarHBondContact O-NE2 3.31Å; L382-Q433 HydrophobicContact CB-CB 3.82Å; L382-Q433 HydrophobicContact CD2-CB 4.48Å; L429-Q433 WeakPolarHBondContact O-CG 3.16Å; L429-Q433 PolarHBondContact O-N 3.2Å; L430-Q433 PolarHBondContact O-N 2.56Å; M431-Q433 VanDerWaalsContact C-N 3.31Å; M431-Q433 PolarHBondContact O-N 3.43Å; Q433-N436 CarbonylContact O-C 3.52Å; Q433-N436 PolarHBondContact O-N 3.44Å; Q433-S437 PolarHBondContact O-N 3.18Å; Q433-S437 VanDerWaalsContact O-N 3.08Å
434	I	96.1	Very high	90.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-47.9	172.5	-70.7	171.6	0	0	0	109.9	L382 L430 M431 N436 S437 F440 I464 L467 L468 F481	L382-I434 HydrophobicContact CD1-CG1 3.88Å; L430-I434 HydrophobicContact CD1-CD1 3.91Å; L430-I434 HydrophobicContact CD1-CG1 4.08Å; L430-I434 HydrophobicContact CG-CD1 3.83Å; L430-I434 HydrophobicContact CG-CG1 4.4Å; L430-I434 VanDerWaalsContact O-CG1 3.26Å; L430-I434 WeakPolarHBondContact O-CG1 3.37Å; L430-I434 PolarHBondContact O-N 2.8Å; M431-I434 PolarHBondContact O-N 2.8Å; I434-N436 PolarHBondContact O-N 3.42Å; I434-S437 VanDerWaalsContact O-CB 3.28Å; I434-S437 WeakPolarHBondContact O-CB 3.3Å; I434-S437 PolarHBondContact O-N 3.1Å; I434-S437 PolarHBondContact O-OG 3.14Å; I434-F440 HydrophobicContact CG2-CD2 4.41Å; I434-F440 HydrophobicContact CG2-CE2 3.73Å; I434-F440 WeakPolarHBondContact O-CD2 3.31Å; I434-I464 HydrophobicContact CG1-CD1 3.9Å; I434-I464 HydrophobicContact CG2-CD1 4.22Å; I434-I464 HydrophobicContact CG2-CG2 3.79Å; I434-L467 HydrophobicContact CD1-CB 3.87Å; I434-L468 HydrophobicContact CD1-CD2 4.26Å; I434-L468 HydrophobicContact CD1-CG 4.5Å; I434-L468 HydrophobicContact CG2-CD2 3.91Å; I434-L468 HydrophobicContact CG2-CG 4.32Å; I434-F481 HydrophobicContact CG2-CZ 4.19Å
435	Q	94.2	Very high	91	Very high	42 Å²	42	40.4 Å²	40.4	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-32.7	178.6	-179.9	-179.1	-16.9	0	0	113	M431 F481	M431-Q435 WeakPolarHBondContact O-CB 3.4Å; M431-Q435 PolarHBondContact O-N 3.5Å; Q435-F481 HydrophobicContact CB-CD1 3.75Å; Q435-F481 HydrophobicContact CB-CD2 4.47Å; Q435-F481 HydrophobicContact CB-CE1 3.74Å; Q435-F481 HydrophobicContact CB-CE2 4.44Å; Q435-F481 HydrophobicContact CB-CG 4.18Å; Q435-F481 HydrophobicContact CB-CZ 4.11Å; Q435-F481 HydrophobicContact CG-CB 4.13Å; Q435-F481 HydrophobicContact CG-CD1 3.79Å; Q435-F481 HydrophobicContact CG-CD2 4.1Å; Q435-F481 HydrophobicContact CG-CE1 4.25Å; Q435-F481 HydrophobicContact CG-CG 3.75Å
436	N	92.9	Very high	91.4	Very high	105 Å²	105	39.4 Å²	39.4	56%	0.561	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	8.1	-178.8	-65.8	-51.4	0	0	0	113.5	Q432 Q433 I434	Q432-N436 PolarHBondContact O-N 3.08Å; Q432-N436 PolarHBondContact O-ND2 2.95Å; Q433-N436 CarbonylContact O-C 3.52Å; Q433-N436 PolarHBondContact O-N 3.44Å; I434-N436 PolarHBondContact O-N 3.42Å
437	S	95.6	Very high	91.8	Very high	17 Å²	17	40.4 Å²	40.4	12%	0.119	24%	0.235	C	C	.	.	S	Bend	trans	-76.8	165.4	179.5	72.8	0	0	0	0	112.4	Q433 I434 V439 F440	Q433-S437 PolarHBondContact O-N 3.18Å; Q433-S437 VanDerWaalsContact O-N 3.08Å; I434-S437 VanDerWaalsContact O-CB 3.28Å; I434-S437 WeakPolarHBondContact O-CB 3.3Å; I434-S437 PolarHBondContact O-N 3.1Å; I434-S437 PolarHBondContact O-OG 3.14Å; S437-V439 PolarHBondContact O-N 3.32Å; S437-V439 VanDerWaalsContact O-N 3.08Å; S437-V439 PolarHBondContact OG-N 3.26Å; S437-F440 PolarHBondContact O-N 3.22Å
438	V	95.5	Very high	92.1	Very high	88 Å²	88	40.5 Å²	40.5	53%	0.533	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.3	176.3	-60.7	0	0	0	0	114.1	F440 A450 A455 L460	V438-F440 VanDerWaalsContact C-N 3.31Å; V438-A450 WeakPolarHBondContact O-CB 3.43Å; V438-A455 HydrophobicContact CG2-CB 4.46Å; V438-L460 HydrophobicContact CG2-CD2 3.99Å
439	V	97.1	Very high	92.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.3	180	168.3	0	0	0	0	111.9	S437 L449 A450 A455 L460 Y461 I464	S437-V439 PolarHBondContact O-N 3.32Å; S437-V439 VanDerWaalsContact O-N 3.08Å; S437-V439 PolarHBondContact OG-N 3.26Å; V439-L449 HydrophobicContact CG1-CD2 3.7Å; V439-L449 WeakPolarHBondContact O-CA 3.32Å; V439-A450 PolarHBondContact O-N 3.06Å; V439-A455 HydrophobicContact CG2-CB 4.42Å; V439-L460 HydrophobicContact CG2-CD2 3.76Å; V439-L460 HydrophobicContact CG2-CG 3.83Å; V439-Y461 HydrophobicContact CB-CE1 4.3Å; V439-Y461 HydrophobicContact CG1-CD1 3.63Å; V439-Y461 HydrophobicContact CG1-CE1 3.7Å; V439-Y461 HydrophobicContact CG2-CD1 4.32Å; V439-Y461 HydrophobicContact CG2-CE1 4.26Å; V439-I464 HydrophobicContact CG1-CG2 4.42Å; V439-I464 HydrophobicContact CG2-CG1 4.1Å
440	F	96.9	Very high	93.1	Very high	12 Å²	12	38 Å²	38	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.9	-174.5	-63.9	-77.8	0	0	0	112.3	I434 S437 V438 K447 N448 L449 I464 L468 F481 F482 L486	I434-F440 HydrophobicContact CG2-CD2 4.41Å; I434-F440 HydrophobicContact CG2-CE2 3.73Å; I434-F440 WeakPolarHBondContact O-CD2 3.31Å; S437-F440 PolarHBondContact O-N 3.22Å; V438-F440 VanDerWaalsContact C-N 3.31Å; F440-K447 HydrophobicContact CB-CB 4.15Å; F440-K447 HydrophobicContact CB-CD 4.3Å; F440-K447 HydrophobicContact CB-CG 4.41Å; F440-K447 HydrophobicContact CD1-CB 4.31Å; F440-N448 CarbonylContact C-O 3.47Å; F440-N448 VanDerWaalsContact CA-O 3.32Å; F440-N448 WeakPolarHBondContact CA-O 3.48Å; F440-L449 HydrophobicContact CD1-CD2 3.84Å; F440-L449 HydrophobicContact CE1-CD2 3.53Å; F440-L449 HydrophobicContact CZ-CD2 4.16Å; F440-I464 HydrophobicContact CE2-CG2 3.86Å; F440-I464 HydrophobicContact CZ-CG2 4.2Å; F440-L468 HydrophobicContact CZ-CD1 4.31Å; F440-F481 HydrophobicContact CD1-CE2 4.01Å; F440-F481 HydrophobicContact CD2-CE2 4.09Å; F440-F481 HydrophobicContact CD2-CZ 4.45Å; F440-F481 AromaticContact CE1-CE2 3.96Å; F440-F481 HydrophobicContact CE1-CE2 3.96Å; F440-F481 HydrophobicContact CE2-CE2 4.04Å; F440-F481 HydrophobicContact CE2-CZ 4.14Å; F440-F481 HydrophobicContact CG-CE2 4.08Å; F440-F481 AromaticContact CZ-CE2 3.99Å; F440-F481 HydrophobicContact CZ-CE2 3.99Å; F440-F481 HydrophobicContact CZ-CZ 4.26Å; F440-F482 HydrophobicContact CE1-CD1 4.23Å; F440-F482 AromaticContact CE1-CE1 3.53Å; F440-F482 HydrophobicContact CE1-CE1 3.53Å; F440-F482 HydrophobicContact CE1-CZ 4.03Å; F440-F482 AromaticContact CZ-CE1 3.7Å; F440-F482 HydrophobicContact CZ-CE1 3.7Å; F440-F482 HydrophobicContact CZ-CZ 4.09Å; F440-L486 HydrophobicContact CD1-CD2 4.37Å; F440-L486 HydrophobicContact CE1-CD2 4.01Å
441	E	94.7	Very high	93.2	Very high	60 Å²	60	41 Å²	41	28%	0.28	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	160.8	175.3	58.9	172.2	-140.9	0	0	111.3	K447 N448 A450 T505	E441-K447 CarbonylContact O-C 3.6Å; E441-K447 VanDerWaalsContact O-CA 3.27Å; E441-K447 WeakPolarHBondContact O-CA 3.4Å; E441-N448 PolarHBondContact N-O 3.33Å; E441-N448 PolarHBondContact O-N 3.33Å; E441-A450 HydrophobicContact CB-CB 3.98Å; E441-A450 HydrophobicContact CG-CB 3.85Å; E441-T505 HydrophobicContact CB-CG2 4.28Å; E441-T505 HydrophobicContact CG-CG2 3.86Å; E441-T505 WeakPolarHBondContact OE1-CB 3.37Å; E441-T505 PolarHBondContact OE1-OG1 3.48Å
442	G	91.6	Very high	93.4	Very high	26 Å²	26	42.9 Å²	42.9	27%	0.268	25%	0.25	S	S	.	.	S	Bend	trans	106.1	-176.8	-179.7	0	0	0	0	0	114.5	K447 T505	G442-K447 WeakPolarHBondContact O-CD 3.47Å; G442-K447 WeakPolarHBondContact O-CE 3.4Å; G442-K447 PolarHBondContact O-NZ 2.55Å; G442-T505 VanDerWaalsContact CA-CG2 3.48Å
443	P	88.8	Confident	93.6	Very high	61 Å²	61	41.5 Å²	41.5	40%	0.396	25%	0.253	S	S	.	.	S	Bend	trans	-67.3	157.3	-177.2	28.1	-35.1	0	0	0	112.4	G445 S446 P506	P443-G445 PolarHBondContact O-N 3.08Å; P443-S446 WeakPolarHBondContact CD-O 3.46Å; P443-S446 CarbonylContact O-C 3.05Å; P443-S446 PolarHBondContact O-N 3.49Å; P443-P506 HydrophobicContact CG-CG 4.1Å
444	S	82.4	Confident	93.7	Very high	98 Å²	98	44 Å²	44	69%	0.685	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	131.4	172.5	-62.1	0	0	0	0	110.3	S446	S444-S446 VanDerWaalsContact C-N 3.32Å
445	G	83.8	Confident	93.7	Very high	17 Å²	17	44.1 Å²	44.1	18%	0.175	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	-6.5	-176.7	0	0	0	0	0	115.3	P443 F481	P443-G445 PolarHBondContact O-N 3.08Å; G445-F481 CarbonylContact C-O 3.54Å
446	S	90.9	Very high	93.6	Very high	53 Å²	53	44.4 Å²	44.4	37%	0.371	27%	0.268	S	S	.	.			trans	-151.8	72.4	176.1	-171.7	0	0	0	0	110.9	P443 S444 F481 S483	P443-S446 WeakPolarHBondContact CD-O 3.46Å; P443-S446 CarbonylContact O-C 3.05Å; P443-S446 PolarHBondContact O-N 3.49Å; S444-S446 VanDerWaalsContact C-N 3.32Å; S446-F481 PolarHBondContact N-O 3.38Å; S446-S483 WeakPolarHBondContact OG-CA 3.22Å; S446-S483 VanDerWaalsContact OG-CB 3.29Å; S446-S483 WeakPolarHBondContact OG-CB 3.33Å
447	K	95.1	Very high	93.6	Very high	23 Å²	23	48.6 Å²	48.6	10%	0.1	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-94	140.4	-178.4	-61.9	-78.7	-173.3	178.6	0	111.6	F440 E441 G442 F481 S483	F440-K447 HydrophobicContact CB-CB 4.15Å; F440-K447 HydrophobicContact CB-CD 4.3Å; F440-K447 HydrophobicContact CB-CG 4.41Å; F440-K447 HydrophobicContact CD1-CB 4.31Å; E441-K447 CarbonylContact O-C 3.6Å; E441-K447 VanDerWaalsContact O-CA 3.27Å; E441-K447 WeakPolarHBondContact O-CA 3.4Å; G442-K447 WeakPolarHBondContact O-CD 3.47Å; G442-K447 WeakPolarHBondContact O-CE 3.4Å; G442-K447 PolarHBondContact O-NZ 2.55Å; K447-F481 HydrophobicContact CB-CD2 3.93Å; K447-F481 WeakPolarHBondContact CB-O 3.41Å; K447-F481 HydrophobicContact CG-CD2 3.81Å; K447-F481 PolarHBondContact N-O 3.29Å; K447-S483 WeakPolarHBondContact O-CB 3.33Å; K447-S483 PolarHBondContact O-N 3.39Å
448	N	96.8	Very high	93.5	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	170.4	164.4	-79.8	-37.5	0	0	0	110.2	F440 E441 S483 H503 T505 M564	F440-N448 CarbonylContact C-O 3.47Å; F440-N448 VanDerWaalsContact CA-O 3.32Å; F440-N448 WeakPolarHBondContact CA-O 3.48Å; E441-N448 PolarHBondContact N-O 3.33Å; E441-N448 PolarHBondContact O-N 3.33Å; N448-S483 PolarHBondContact OD1-OG 3.02Å; N448-H503 PolarHBondContact ND2-O 2.98Å; N448-T505 WeakPolarHBondContact CB-OG1 3.2Å; N448-T505 PolarHBondContact ND2-N 2.83Å; N448-T505 PolarHBondContact ND2-OG1 3.38Å; N448-M564 HydrophobicContact CB-CE 4.47Å
449	L	96.9	Very high	93.4	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.3	169.4	-67.2	175.7	0	0	0	110.8	V439 F440 Y461 L486 P571 L572 L575	V439-L449 HydrophobicContact CG1-CD2 3.7Å; V439-L449 WeakPolarHBondContact O-CA 3.32Å; F440-L449 HydrophobicContact CD1-CD2 3.84Å; F440-L449 HydrophobicContact CE1-CD2 3.53Å; F440-L449 HydrophobicContact CZ-CD2 4.16Å; L449-Y461 HydrophobicContact CD2-CD1 4.33Å; L449-Y461 HydrophobicContact CD2-CE1 4.34Å; L449-L486 HydrophobicContact CD1-CD1 3.93Å; L449-L486 HydrophobicContact CG-CD1 3.71Å; L449-L486 HydrophobicContact CG-CD2 4.27Å; L449-P571 HydrophobicContact CD1-CB 4.26Å; L449-L572 HydrophobicContact CD1-CD2 3.74Å; L449-L572 HydrophobicContact CD1-CG 4.17Å; L449-L575 HydrophobicContact CD1-CD2 3.96Å; L449-L575 HydrophobicContact CD2-CD2 3.92Å; L449-L575 HydrophobicContact CG-CD2 4.38Å
450	A	96	Very high	93.5	Very high	12 Å²	12	51.5 Å²	51.5	10%	0.099	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-83.2	145.4	166.4	0	0	0	0	0	109.1	V438 V439 E441 D452 Y461	V438-A450 WeakPolarHBondContact O-CB 3.43Å; V439-A450 PolarHBondContact O-N 3.06Å; E441-A450 HydrophobicContact CB-CB 3.98Å; E441-A450 HydrophobicContact CG-CB 3.85Å; A450-D452 PolarHBondContact O-N 3.37Å; A450-Y461 PolarHBondContact O-OH 3.13Å
451	L	94.9	Very high	93.5	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.346	28%	0.282	S	S	.	.			trans	-91.3	93.7	172.2	-176.6	64.5	0	0	0	109.9	L456 M568 P571	L451-L456 HydrophobicContact CD1-CD1 3.95Å; L451-M568 HydrophobicContact CB-CE 3.59Å; L451-M568 HydrophobicContact CB-SD 3.84Å; L451-M568 HydrophobicContact CD1-SD 4.34Å; L451-P571 HydrophobicContact CD1-CG 3.57Å
452	D	96.7	Very high	93.6	Very high	49 Å²	49	51.1 Å²	51.1	26%	0.262	28%	0.282	S	S	.	.			trans	-108.4	122.8	178.8	-174.3	-77.2	0	0	0	111.4	A450 Q454 A455 L456 Y461	A450-D452 PolarHBondContact O-N 3.37Å; D452-Q454 VanDerWaalsContact C-N 3.33Å; D452-Q454 PolarHBondContact O-N 3.01Å; D452-Q454 WeakPolarHBondContact OD1-CA 3.18Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.49Å; D452-Q454 PolarHBondContact OD1-N 2.9Å; D452-A455 HydrophobicContact CB-CB 3.84Å; D452-A455 PolarHBondContact OD1-N 3.25Å; D452-L456 PolarHBondContact O-N 2.85Å; D452-L456 VanDerWaalsContact O-N 3.09Å; D452-Y461 PolarHBondContact N-OH 3.23Å
453	S	95.1	Very high	93.9	Very high	83 Å²	83	50.4 Å²	50.4	58%	0.58	27%	0.272	S	S	*	.	H	α-helix	trans	-72	-24.7	-176	70.5	0	0	0	0	113.9	R457	S453-R457 WeakPolarHBondContact O-CG 3.49Å; S453-R457 PolarHBondContact O-N 3.4Å; S453-R457 PolarHBondContact O-NE 3.38Å
454	Q	95.9	Very high	94.3	Very high	99 Å²	99	47.5 Å²	47.5	46%	0.463	25%	0.253	S	S	.	.	H	α-helix	trans	-79.2	-45.3	175.9	-177.6	171	-6.9	0	0	110.1	D452 L456 R457 E458	D452-Q454 VanDerWaalsContact C-N 3.33Å; D452-Q454 PolarHBondContact O-N 3.01Å; D452-Q454 WeakPolarHBondContact OD1-CA 3.18Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.49Å; D452-Q454 PolarHBondContact OD1-N 2.9Å; Q454-L456 PolarHBondContact O-N 3.09Å; Q454-R457 PolarHBondContact O-N 2.78Å; Q454-E458 HydrophobicContact CG-CG 4.44Å; Q454-E458 VanDerWaalsContact CG-OE1 3.3Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.26Å; Q454-E458 PolarHBondContact NE2-OE1 2.76Å; Q454-E458 PolarHBondContact O-N 3.43Å
455	A	95.8	Very high	95	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-39.3	173.5	0	0	0	0	0	111.9	V438 V439 D452 D459 L460 Y461	V438-A455 HydrophobicContact CG2-CB 4.46Å; V439-A455 HydrophobicContact CG2-CB 4.42Å; D452-A455 HydrophobicContact CB-CB 3.84Å; D452-A455 PolarHBondContact OD1-N 3.25Å; A455-D459 PolarHBondContact O-N 2.79Å; A455-L460 HydrophobicContact CB-CB 3.97Å; A455-L460 HydrophobicContact CB-CD2 3.96Å; A455-L460 HydrophobicContact CB-CG 4.5Å; A455-L460 WeakPolarHBondContact O-CB 3.41Å; A455-L460 PolarHBondContact O-N 3.1Å; A455-Y461 HydrophobicContact CB-CD2 4.21Å; A455-Y461 HydrophobicContact CB-CE2 3.55Å
456	L	92.1	Very high	95.6	Very high	49 Å²	49	42.1 Å²	42.1	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-43.2	173.7	-82.1	177	0	0	0	113.2	L451 D452 Q454 E458 D459 Y461 L570 P571	L451-L456 HydrophobicContact CD1-CD1 3.95Å; D452-L456 PolarHBondContact O-N 2.85Å; D452-L456 VanDerWaalsContact O-N 3.09Å; Q454-L456 PolarHBondContact O-N 3.09Å; L456-E458 VanDerWaalsContact C-N 3.32Å; L456-D459 PolarHBondContact O-N 3.41Å; L456-Y461 HydrophobicContact CB-CE2 4.48Å; L456-Y461 HydrophobicContact CD2-CD2 3.85Å; L456-Y461 HydrophobicContact CD2-CE2 3.8Å; L456-Y461 HydrophobicContact CG-CD2 4.27Å; L456-Y461 HydrophobicContact CG-CE2 3.75Å; L456-L570 HydrophobicContact CD1-CD2 4.39Å; L456-L570 HydrophobicContact CD2-CB 4.32Å; L456-L570 HydrophobicContact CD2-CD2 3.74Å; L456-L570 HydrophobicContact CD2-CG 3.73Å; L456-P571 HydrophobicContact CD1-CG 4.44Å; L456-P571 HydrophobicContact CD2-CG 4Å; L456-P571 HydrophobicContact CG-CG 4.44Å
457	R	93.5	Very high	95.9	Very high	192 Å²	192	39.7 Å²	39.7	73%	0.725	20%	0.196	S	C	*	.	H	α-helix	trans	-68.3	-34.4	-179.4	-76.3	-178.4	-64.4	151.7	2.6	112.5	S453 Q454 D459	S453-R457 WeakPolarHBondContact O-CG 3.49Å; S453-R457 PolarHBondContact O-N 3.4Å; S453-R457 PolarHBondContact O-NE 3.38Å; Q454-R457 PolarHBondContact O-N 2.78Å; R457-D459 VanDerWaalsContact C-N 3.3Å
458	E	92.8	Very high	96	Very high	93 Å²	93	38.6 Å²	38.6	44%	0.435	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.3	179.1	-65.4	178.7	-164.1	0	0	112.8	R390 Q454 L456 L460	R390-E458 PolarHBondContact NH2-O 3.22Å; Q454-E458 HydrophobicContact CG-CG 4.44Å; Q454-E458 VanDerWaalsContact CG-OE1 3.3Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.26Å; Q454-E458 PolarHBondContact NE2-OE1 2.76Å; Q454-E458 PolarHBondContact O-N 3.43Å; L456-E458 VanDerWaalsContact C-N 3.32Å; E458-L460 PolarHBondContact O-N 3.25Å
459	D	94.8	Very high	95.9	Very high	55 Å²	55	38.4 Å²	38.4	29%	0.294	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	26.8	178.5	-159.2	23.1	0	0	0	114.6	A455 L456 R457 Y461 F462 D463 R574	A455-D459 PolarHBondContact O-N 2.79Å; L456-D459 PolarHBondContact O-N 3.41Å; R457-D459 VanDerWaalsContact C-N 3.3Å; D459-Y461 VanDerWaalsContact C-N 3.26Å; D459-Y461 PolarHBondContact O-N 3.07Å; D459-F462 WeakPolarHBondContact O-CB 3.29Å; D459-F462 PolarHBondContact O-N 3.46Å; D459-F462 VanDerWaalsContact O-N 3.08Å; D459-F462 WeakPolarHBondContact OD1-CB 3.48Å; D459-D463 PolarHBondContact O-N 2.96Å; D459-R574 IonicContact OD1-CZ 2.88Å; D459-R574 IonicContact OD1-NE 2.85Å; D459-R574 PolarHBondContact OD1-NE 3.49Å; D459-R574 IonicContact OD1-NH2 2.65Å; D459-R574 PolarHBondContact OD1-NH2 3.48Å; D459-R574 IonicContact OD2-CZ 3.8Å; D459-R574 IonicContact OD2-NE 2.55Å; D459-R574 IonicContact OD2-NH2 2.88Å; D459-R574 PolarHBondContact OD2-NH2 3.4Å
460	L	97.3	Very high	95.7	Very high	18 Å²	18	38.2 Å²	38.2	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-31.1	-173.1	-175.6	61.7	0	0	0	112.5	L386 V438 V439 A455 E458 F462 D463 I464	L386-L460 HydrophobicContact CD1-CD1 3.83Å; L386-L460 HydrophobicContact CD2-CD1 3.62Å; L386-L460 HydrophobicContact CG-CD1 4.39Å; V438-L460 HydrophobicContact CG2-CD2 3.99Å; V439-L460 HydrophobicContact CG2-CD2 3.76Å; V439-L460 HydrophobicContact CG2-CG 3.83Å; A455-L460 HydrophobicContact CB-CB 3.97Å; A455-L460 HydrophobicContact CB-CD2 3.96Å; A455-L460 HydrophobicContact CB-CG 4.5Å; A455-L460 WeakPolarHBondContact O-CB 3.41Å; A455-L460 PolarHBondContact O-N 3.1Å; E458-L460 PolarHBondContact O-N 3.25Å; L460-F462 VanDerWaalsContact C-N 3.31Å; L460-F462 PolarHBondContact O-N 3.27Å; L460-D463 PolarHBondContact O-N 2.99Å; L460-I464 HydrophobicContact CD1-CD1 4.44Å; L460-I464 HydrophobicContact CD1-CG1 4.07Å; L460-I464 HydrophobicContact CG-CG1 4.08Å; L460-I464 WeakPolarHBondContact O-CB 3.33Å; L460-I464 WeakPolarHBondContact O-CG1 3.43Å; L460-I464 PolarHBondContact O-N 3.33Å
461	Y	97.7	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-38.8	176.3	-64.6	-86.9	0	0	0	112.2	V439 L449 A450 D452 A455 L456 D459 G465 P571 L575	V439-Y461 HydrophobicContact CB-CE1 4.3Å; V439-Y461 HydrophobicContact CG1-CD1 3.63Å; V439-Y461 HydrophobicContact CG1-CE1 3.7Å; V439-Y461 HydrophobicContact CG2-CD1 4.32Å; V439-Y461 HydrophobicContact CG2-CE1 4.26Å; L449-Y461 HydrophobicContact CD2-CD1 4.33Å; L449-Y461 HydrophobicContact CD2-CE1 4.34Å; A450-Y461 PolarHBondContact O-OH 3.13Å; D452-Y461 PolarHBondContact N-OH 3.23Å; A455-Y461 HydrophobicContact CB-CD2 4.21Å; A455-Y461 HydrophobicContact CB-CE2 3.55Å; L456-Y461 HydrophobicContact CB-CE2 4.48Å; L456-Y461 HydrophobicContact CD2-CD2 3.85Å; L456-Y461 HydrophobicContact CD2-CE2 3.8Å; L456-Y461 HydrophobicContact CG-CD2 4.27Å; L456-Y461 HydrophobicContact CG-CE2 3.75Å; D459-Y461 VanDerWaalsContact C-N 3.26Å; D459-Y461 PolarHBondContact O-N 3.07Å; Y461-G465 PolarHBondContact O-N 2.87Å; Y461-P571 HydrophobicContact CD1-CB 3.84Å; Y461-P571 HydrophobicContact CD2-CB 4.47Å; Y461-P571 HydrophobicContact CE1-CB 3.67Å; Y461-P571 HydrophobicContact CE1-CG 4.37Å; Y461-P571 HydrophobicContact CE2-CB 4.32Å; Y461-P571 HydrophobicContact CE2-CG 4.37Å; Y461-P571 HydrophobicContact CG-CB 4.24Å; Y461-L575 WeakPolarHBondContact O-CA 3.48Å; Y461-L575 WeakPolarHBondContact O-CD1 3.31Å
462	F	97.3	Very high	95.3	Very high	64 Å²	64	34.5 Å²	34.5	28%	0.281	17%	0.168	S	C	.	.	H	α-helix	trans	-69.1	-44.7	175.3	172.2	-91	0	0	0	111.5	D459 L460 I464 G465 S466 R574 E577 G578	D459-F462 WeakPolarHBondContact O-CB 3.29Å; D459-F462 PolarHBondContact O-N 3.46Å; D459-F462 VanDerWaalsContact O-N 3.08Å; D459-F462 WeakPolarHBondContact OD1-CB 3.48Å; L460-F462 VanDerWaalsContact C-N 3.31Å; L460-F462 PolarHBondContact O-N 3.27Å; F462-I464 VanDerWaalsContact C-N 3.34Å; F462-I464 PolarHBondContact O-N 3.36Å; F462-G465 PolarHBondContact O-N 3.35Å; F462-S466 PolarHBondContact O-N 3.29Å; F462-S466 PolarHBondContact O-OG 3.03Å; F462-R574 VanDerWaalsContact CA-O 3.31Å; F462-R574 WeakPolarHBondContact CA-O 3.37Å; F462-R574 HydrophobicContact CB-CB 4.37Å; F462-E577 HydrophobicContact CD2-CB 3.96Å; F462-E577 HydrophobicContact CE2-CB 4.26Å; F462-G578 WeakPolarHBondContact O-CA 3.44Å
463	D	97.3	Very high	95	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-44.9	178.4	-65.8	-37.2	0	0	0	111.2	L386 V389 R390 D459 L460 S466 L467	L386-D463 HydrophobicContact CD2-CB 3.49Å; L386-D463 VanDerWaalsContact CD2-CB 3.49Å; V389-D463 HydrophobicContact CG2-CB 4.09Å; R390-D463 IonicContact CZ-OD2 3.3Å; R390-D463 IonicContact NE-OD1 2.7Å; R390-D463 IonicContact NE-OD2 3.54Å; R390-D463 PolarHBondContact NE-OD2 2.86Å; R390-D463 IonicContact NH2-OD2 3.12Å; R390-D463 PolarHBondContact NH2-OD2 3.3Å; D459-D463 PolarHBondContact O-N 2.96Å; L460-D463 PolarHBondContact O-N 2.99Å; D463-S466 WeakPolarHBondContact O-CB 3.33Å; D463-S466 PolarHBondContact O-N 2.96Å; D463-L467 VanDerWaalsContact O-CG 3.3Å; D463-L467 WeakPolarHBondContact O-CG 3.41Å; D463-L467 PolarHBondContact O-N 2.64Å
464	I	98	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-43	176	-69.1	-67.9	0	0	0	111.1	L382 I434 V439 F440 L460 F462 S466 L467 L468 L575	L382-I464 HydrophobicContact CD1-CD1 3.68Å; I434-I464 HydrophobicContact CG1-CD1 3.9Å; I434-I464 HydrophobicContact CG2-CD1 4.22Å; I434-I464 HydrophobicContact CG2-CG2 3.79Å; V439-I464 HydrophobicContact CG1-CG2 4.42Å; V439-I464 HydrophobicContact CG2-CG1 4.1Å; F440-I464 HydrophobicContact CE2-CG2 3.86Å; F440-I464 HydrophobicContact CZ-CG2 4.2Å; L460-I464 HydrophobicContact CD1-CD1 4.44Å; L460-I464 HydrophobicContact CD1-CG1 4.07Å; L460-I464 HydrophobicContact CG-CG1 4.08Å; L460-I464 WeakPolarHBondContact O-CB 3.33Å; L460-I464 WeakPolarHBondContact O-CG1 3.43Å; L460-I464 PolarHBondContact O-N 3.33Å; F462-I464 VanDerWaalsContact C-N 3.34Å; F462-I464 PolarHBondContact O-N 3.36Å; I464-S466 VanDerWaalsContact C-N 3.27Å; I464-S466 PolarHBondContact O-N 3.38Å; I464-L467 PolarHBondContact O-N 2.92Å; I464-L468 HydrophobicContact CG2-CD1 3.99Å; I464-L468 HydrophobicContact CG2-CG 4.29Å; I464-L468 WeakPolarHBondContact O-CB 3.47Å; I464-L468 VanDerWaalsContact O-CG 3.27Å; I464-L468 WeakPolarHBondContact O-CG 3.45Å; I464-L468 PolarHBondContact O-N 3.32Å; I464-L575 HydrophobicContact CG2-CD1 4.17Å
465	G	97.4	Very high	93.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-41.2	174.9	0	0	0	0	0	112.1	Y461 F462 L468 A469 G578	Y461-G465 PolarHBondContact O-N 2.87Å; F462-G465 PolarHBondContact O-N 3.35Å; G465-L468 PolarHBondContact O-N 2.85Å; G465-A469 PolarHBondContact O-N 3.09Å; G465-A469 VanDerWaalsContact O-N 3.09Å; G465-G578 CarbonylContact C-O 3.58Å; G465-G578 CarbonylContact O-C 3.56Å
466	S	96.5	Very high	93.2	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-66	-42.6	176.8	-54.7	0	0	0	0	111.8	F462 D463 I464 A469 L470 G578 T581	F462-S466 PolarHBondContact O-N 3.29Å; F462-S466 PolarHBondContact O-OG 3.03Å; D463-S466 WeakPolarHBondContact O-CB 3.33Å; D463-S466 PolarHBondContact O-N 2.96Å; I464-S466 VanDerWaalsContact C-N 3.27Å; I464-S466 PolarHBondContact O-N 3.38Å; S466-A469 PolarHBondContact O-N 2.98Å; S466-L470 WeakPolarHBondContact O-CG 3.39Å; S466-L470 PolarHBondContact O-N 3.41Å; S466-G578 WeakPolarHBondContact CA-O 3.4Å; S466-G578 PolarHBondContact N-O 3.46Å; S466-G578 WeakPolarHBondContact OG-CA 3.34Å; S466-T581 PolarHBondContact OG-OG1 3.18Å
467	L	97	Very high	92.9	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-65.9	-40	176.8	-70.7	170	0	0	0	112.6	L382 L386 V389 L430 I434 D463 I464 A469 L470 C471	L382-L467 HydrophobicContact CD1-CD1 3.96Å; L386-L467 HydrophobicContact CD2-CD1 3.81Å; L386-L467 HydrophobicContact CG-CD1 4.25Å; V389-L467 HydrophobicContact CG1-CD2 3.73Å; V389-L467 HydrophobicContact CG1-CG 4.13Å; L430-L467 HydrophobicContact CD1-CD1 4.42Å; L430-L467 HydrophobicContact CD2-CD2 4.14Å; I434-L467 HydrophobicContact CD1-CB 3.87Å; D463-L467 VanDerWaalsContact O-CG 3.3Å; D463-L467 WeakPolarHBondContact O-CG 3.41Å; D463-L467 PolarHBondContact O-N 2.64Å; I464-L467 PolarHBondContact O-N 2.92Å; L467-A469 VanDerWaalsContact C-N 3.35Å; L467-L470 HydrophobicContact CD2-CD1 4.33Å; L467-L470 PolarHBondContact O-N 2.89Å; L467-C471 PolarHBondContact O-N 2.9Å; L467-C471 PolarHBondContact O-SG 2.86Å; L467-C471 VanDerWaalsContact O-SG 3.41Å
468	L	96.9	Very high	92.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.2	-43.8	174.4	-72.8	172	0	0	0	111.3	M431 I434 F440 I464 G465 C471 L472 I479 F481 F482 L575 L579	M431-L468 HydrophobicContact CE-CD2 4.19Å; M431-L468 HydrophobicContact SD-CD2 3.74Å; I434-L468 HydrophobicContact CD1-CD2 4.26Å; I434-L468 HydrophobicContact CD1-CG 4.5Å; I434-L468 HydrophobicContact CG2-CD2 3.91Å; I434-L468 HydrophobicContact CG2-CG 4.32Å; F440-L468 HydrophobicContact CZ-CD1 4.31Å; I464-L468 HydrophobicContact CG2-CD1 3.99Å; I464-L468 HydrophobicContact CG2-CG 4.29Å; I464-L468 WeakPolarHBondContact O-CB 3.47Å; I464-L468 VanDerWaalsContact O-CG 3.27Å; I464-L468 WeakPolarHBondContact O-CG 3.45Å; I464-L468 PolarHBondContact O-N 3.32Å; G465-L468 PolarHBondContact O-N 2.85Å; L468-C471 PolarHBondContact O-N 3.4Å; L468-L472 WeakPolarHBondContact O-CG 3.47Å; L468-L472 PolarHBondContact O-N 3.37Å; L468-I479 HydrophobicContact CB-CD1 4.16Å; L468-I479 HydrophobicContact CD1-CD1 4.48Å; L468-I479 HydrophobicContact CD2-CD1 4.01Å; L468-I479 HydrophobicContact CD2-CG1 3.98Å; L468-I479 HydrophobicContact CG-CD1 4.46Å; L468-F481 HydrophobicContact CD2-CZ 4.47Å; L468-F482 HydrophobicContact CD1-CE1 4.28Å; L468-F482 HydrophobicContact CD1-CZ 3.87Å; L468-L575 HydrophobicContact CD1-CD1 4.37Å; L468-L579 HydrophobicContact CB-CD2 3.94Å
469	A	94.7	Very high	92.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.8	-42.6	175.1	0	0	0	0	0	112.2	G465 S466 L467 L472 V473 T581 V584	G465-A469 PolarHBondContact O-N 3.09Å; G465-A469 VanDerWaalsContact O-N 3.09Å; S466-A469 PolarHBondContact O-N 2.98Å; L467-A469 VanDerWaalsContact C-N 3.35Å; A469-L472 PolarHBondContact O-N 2.86Å; A469-V473 WeakPolarHBondContact O-CB 3.27Å; A469-V473 WeakPolarHBondContact O-CG2 3.37Å; A469-V473 PolarHBondContact O-N 3.48Å; A469-T581 HydrophobicContact CB-CG2 4.27Å; A469-T581 WeakPolarHBondContact CB-O 3.41Å; A469-V584 HydrophobicContact CB-CB 4.14Å; A469-V584 HydrophobicContact CB-CG2 3.91Å
470	L	92.3	Very high	92.3	Very high	4 Å²	4	10 Å²	10	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-44.2	174.2	-70.9	170.4	0	0	0	111.9	V389 F394 P396 S466 L467 V473 H474 T581 L582	V389-L470 HydrophobicContact CG1-CD1 3.76Å; F394-L470 HydrophobicContact CE2-CD1 4.26Å; F394-L470 HydrophobicContact CZ-CD1 3.75Å; F394-L470 HydrophobicContact CZ-CD2 4.18Å; F394-L470 HydrophobicContact CZ-CG 4.46Å; P396-L470 HydrophobicContact CB-CD2 3.96Å; S466-L470 WeakPolarHBondContact O-CG 3.39Å; S466-L470 PolarHBondContact O-N 3.41Å; L467-L470 HydrophobicContact CD2-CD1 4.33Å; L467-L470 PolarHBondContact O-N 2.89Å; L470-V473 PolarHBondContact O-N 3.1Å; L470-H474 VanDerWaalsContact O-CB 3.29Å; L470-H474 WeakPolarHBondContact O-CB 3.46Å; L470-H474 PolarHBondContact O-CD2 3.48Å; L470-H474 PolarHBondContact O-N 2.86Å; L470-T581 HydrophobicContact CD2-CG2 4.47Å; L470-T581 HydrophobicContact CG-CG2 4.44Å; L470-L582 HydrophobicContact CD2-CD1 3.99Å
471	C	92.2	Very high	92.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.5	-50.3	175.8	-77.1	0	0	0	0	111.2	L430 M431 L467 L468 V473 G476	L430-C471 VanDerWaalsContact CD2-SG 3.58Å; M431-C471 HydrophobicContact CE-CB 3.71Å; L467-C471 PolarHBondContact O-N 2.9Å; L467-C471 PolarHBondContact O-SG 2.86Å; L467-C471 VanDerWaalsContact O-SG 3.41Å; L468-C471 PolarHBondContact O-N 3.4Å; C471-V473 VanDerWaalsContact C-N 3.3Å; C471-V473 PolarHBondContact O-N 3.21Å; C471-G476 VanDerWaalsContact O-CA 3.24Å; C471-G476 WeakPolarHBondContact O-CA 3.24Å; C471-G476 PolarHBondContact O-N 2.88Å
472	L	91.1	Very high	92.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.3	-38.6	-179.2	-74	177.4	0	0	0	112.5	L360 L468 A469 I479 V584 V598 F599 A667 V668	L360-L472 HydrophobicContact CD1-CB 4.39Å; L360-L472 HydrophobicContact CD2-CB 4.27Å; L468-L472 WeakPolarHBondContact O-CG 3.47Å; L468-L472 PolarHBondContact O-N 3.37Å; A469-L472 PolarHBondContact O-N 2.86Å; L472-I479 HydrophobicContact CD1-CD1 3.73Å; L472-I479 HydrophobicContact CD1-CG1 4.34Å; L472-I479 HydrophobicContact CD2-CD1 4.4Å; L472-I479 HydrophobicContact CD2-CG1 4.11Å; L472-I479 HydrophobicContact CG-CD1 4.13Å; L472-I479 HydrophobicContact CG-CG1 4.25Å; L472-V584 HydrophobicContact CD1-CG1 3.93Å; L472-V598 HydrophobicContact CD2-CG1 3.62Å; L472-F599 HydrophobicContact CD1-CE2 4.14Å; L472-F599 HydrophobicContact CD1-CZ 3.85Å; L472-A667 HydrophobicContact CD2-CB 3.67Å; L472-V668 WeakPolarHBondContact O-CG2 3.28Å
473	V	90	Very high	92	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-87.5	-37.4	-172.8	176.2	0	0	0	0	112.6	L360 L363 L364 A469 L470 C471 G475 L582 V584	L360-V473 HydrophobicContact CD2-CG2 4.23Å; L363-V473 HydrophobicContact CB-CG1 4.43Å; L363-V473 HydrophobicContact CD1-CG2 4.04Å; L364-V473 HydrophobicContact CD1-CG1 3.57Å; L364-V473 WeakPolarHBondContact CD1-O 3.48Å; L364-V473 HydrophobicContact CD2-CG1 3.87Å; L364-V473 HydrophobicContact CG-CG1 3.31Å; A469-V473 WeakPolarHBondContact O-CB 3.27Å; A469-V473 WeakPolarHBondContact O-CG2 3.37Å; A469-V473 PolarHBondContact O-N 3.48Å; L470-V473 PolarHBondContact O-N 3.1Å; C471-V473 VanDerWaalsContact C-N 3.3Å; C471-V473 PolarHBondContact O-N 3.21Å; V473-G475 PolarHBondContact O-N 2.87Å; V473-L582 HydrophobicContact CB-CD1 3.72Å; V473-L582 HydrophobicContact CG1-CD1 3.64Å; V473-L582 HydrophobicContact CG2-CB 4.2Å; V473-L582 HydrophobicContact CG2-CD1 4.08Å; V473-V584 HydrophobicContact CG2-CG2 3.39Å
474	H	85.6	Confident	91.8	Very high	9 Å²	9	10.7 Å²	10.7	4%	0.042	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	9.9	-178.2	-73.1	-78.4	0	0	0	114.5	P396 H398 L400 R423 L427 L470	P396-H474 PolarHBondContact O-NE2 2.98Å; H398-H474 PolarHBondContact O-CE1 3.25Å; L400-H474 HydrophobicContact CD1-CB 4Å; R423-H474 PolarHBondContact NH1-O 2.97Å; L427-H474 HydrophobicContact CD1-CB 4.15Å; L470-H474 VanDerWaalsContact O-CB 3.29Å; L470-H474 WeakPolarHBondContact O-CB 3.46Å; L470-H474 PolarHBondContact O-CD2 3.48Å; L470-H474 PolarHBondContact O-N 2.86Å
475	G	79.6	Confident	91.6	Very high	20 Å²	20	10.7 Å²	10.7	21%	0.206	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	26.4	174.2	0	0	0	0	0	114.8	V473	V473-G475 PolarHBondContact O-N 2.87Å
476	G	83.5	Confident	91.5	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.01	7%	0.065	C	C	.	.			trans	-76.2	179.4	170.4	0	0	0	0	0	112.9	C471 A667	C471-G476 VanDerWaalsContact O-CA 3.24Å; C471-G476 WeakPolarHBondContact O-CA 3.24Å; C471-G476 PolarHBondContact O-N 2.88Å; G476-A667 PolarHBondContact O-N 3.05Å
477	P	84.5	Confident	91.5	Very high	11 Å²	11	10.6 Å²	10.6	7%	0.071	6%	0.064	C	C	.	.			trans	-70.7	160.1	179	30.3	-33.3	0	0	0	110.9	D428 M431	D428-P477 VanDerWaalsContact OD1-CD 3.3Å; D428-P477 WeakPolarHBondContact OD1-CD 3.49Å; M431-P477 HydrophobicContact CB-CG 3.8Å; M431-P477 HydrophobicContact CE-CG 4.46Å; M431-P477 WeakPolarHBondContact CE-O 3.35Å; M431-P477 HydrophobicContact CG-CG 4.01Å
478	P	87.9	Confident	91.3	Very high	50 Å²	50	11.3 Å²	11.3	33%	0.325	7%	0.067	S	C	.	.			trans	-54	155	165.7	-22.2	33	0	0	0	111.2	V598 A667	P478-V598 HydrophobicContact CB-CG1 4.33Å; P478-A667 HydrophobicContact CG-CB 4.24Å
479	I	92.9	Very high	91.1	Very high	6 Å²	6	11.9 Å²	11.9	3%	0.031	7%	0.071	C	C	.	.			trans	-68.8	-50.1	177.3	-66.9	171.8	0	0	0	109	M431 L468 L472 F481 F482 V598 F599	M431-I479 HydrophobicContact CE-CG1 3.87Å; M431-I479 HydrophobicContact SD-CG1 4.32Å; L468-I479 HydrophobicContact CB-CD1 4.16Å; L468-I479 HydrophobicContact CD1-CD1 4.48Å; L468-I479 HydrophobicContact CD2-CD1 4.01Å; L468-I479 HydrophobicContact CD2-CG1 3.98Å; L468-I479 HydrophobicContact CG-CD1 4.46Å; L472-I479 HydrophobicContact CD1-CD1 3.73Å; L472-I479 HydrophobicContact CD1-CG1 4.34Å; L472-I479 HydrophobicContact CD2-CD1 4.4Å; L472-I479 HydrophobicContact CD2-CG1 4.11Å; L472-I479 HydrophobicContact CG-CD1 4.13Å; L472-I479 HydrophobicContact CG-CG1 4.25Å; I479-F481 HydrophobicContact CG2-CD1 4.03Å; I479-F481 HydrophobicContact CG2-CE1 3.78Å; I479-F481 HydrophobicContact CG2-CE2 4.42Å; I479-F481 HydrophobicContact CG2-CG 4.4Å; I479-F481 HydrophobicContact CG2-CZ 3.98Å; I479-F481 WeakPolarHBondContact O-CD1 3.42Å; I479-F481 PolarHBondContact O-N 2.89Å; I479-F482 HydrophobicContact CG2-CD1 3.51Å; I479-F482 HydrophobicContact CG2-CE1 3.56Å; I479-F482 HydrophobicContact CG2-CG 4.14Å; I479-F482 HydrophobicContact CG2-CZ 4.22Å; I479-V598 PolarHBondContact N-O 2.9Å; I479-F599 HydrophobicContact CB-CD1 4.42Å; I479-F599 HydrophobicContact CD1-CD1 3.56Å; I479-F599 HydrophobicContact CD1-CE1 3.32Å; I479-F599 HydrophobicContact CD1-CG 4.3Å; I479-F599 HydrophobicContact CD1-CZ 3.87Å; I479-F599 HydrophobicContact CG2-CD1 4.46Å
480	G	89.3	Confident	90.9	Very high	11 Å²	11	12.1 Å²	12.1	11%	0.113	7%	0.072	C	C	.	.			trans	54.1	7	167.3	0	0	0	0	0	117.8	V598 F599 D601 A602	G480-V598 PolarHBondContact N-O 3.34Å; G480-F599 CarbonylContact C-O 3.56Å; G480-F599 WeakPolarHBondContact CA-O 3.47Å; G480-F599 PolarHBondContact N-O 2.72Å; G480-F599 VanDerWaalsContact N-O 3.17Å; G480-D601 WeakPolarHBondContact CA-O 3.24Å; G480-A602 WeakPolarHBondContact O-CA 3.13Å; G480-A602 WeakPolarHBondContact O-CB 3.26Å; G480-A602 PolarHBondContact O-N 3.34Å
481	F	93.3	Very high	90.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.009	8%	0.075	C	C	.	.			trans	-124.1	-1.1	-178.1	69.2	-107.7	0	0	0	113.5	M431 I434 Q435 F440 G445 S446 K447 L468 I479 F599	M431-F481 HydrophobicContact CG-CE1 4.43Å; M431-F481 HydrophobicContact SD-CE1 3.78Å; I434-F481 HydrophobicContact CG2-CZ 4.19Å; Q435-F481 HydrophobicContact CB-CD1 3.75Å; Q435-F481 HydrophobicContact CB-CD2 4.47Å; Q435-F481 HydrophobicContact CB-CE1 3.74Å; Q435-F481 HydrophobicContact CB-CE2 4.44Å; Q435-F481 HydrophobicContact CB-CG 4.18Å; Q435-F481 HydrophobicContact CB-CZ 4.11Å; Q435-F481 HydrophobicContact CG-CB 4.13Å; Q435-F481 HydrophobicContact CG-CD1 3.79Å; Q435-F481 HydrophobicContact CG-CD2 4.1Å; Q435-F481 HydrophobicContact CG-CE1 4.25Å; Q435-F481 HydrophobicContact CG-CG 3.75Å; F440-F481 HydrophobicContact CD1-CE2 4.01Å; F440-F481 HydrophobicContact CD2-CE2 4.09Å; F440-F481 HydrophobicContact CD2-CZ 4.45Å; F440-F481 AromaticContact CE1-CE2 3.96Å; F440-F481 HydrophobicContact CE1-CE2 3.96Å; F440-F481 HydrophobicContact CE2-CE2 4.04Å; F440-F481 HydrophobicContact CE2-CZ 4.14Å; F440-F481 HydrophobicContact CG-CE2 4.08Å; F440-F481 AromaticContact CZ-CE2 3.99Å; F440-F481 HydrophobicContact CZ-CE2 3.99Å; F440-F481 HydrophobicContact CZ-CZ 4.26Å; G445-F481 CarbonylContact C-O 3.54Å; S446-F481 PolarHBondContact N-O 3.38Å; K447-F481 HydrophobicContact CB-CD2 3.93Å; K447-F481 WeakPolarHBondContact CB-O 3.41Å; K447-F481 HydrophobicContact CG-CD2 3.81Å; K447-F481 PolarHBondContact N-O 3.29Å; L468-F481 HydrophobicContact CD2-CZ 4.47Å; I479-F481 HydrophobicContact CG2-CD1 4.03Å; I479-F481 HydrophobicContact CG2-CE1 3.78Å; I479-F481 HydrophobicContact CG2-CE2 4.42Å; I479-F481 HydrophobicContact CG2-CG 4.4Å; I479-F481 HydrophobicContact CG2-CZ 3.98Å; I479-F481 WeakPolarHBondContact O-CD1 3.42Å; I479-F481 PolarHBondContact O-N 2.89Å; F481-F599 PolarHBondContact N-O 3.24Å
482	F	95.9	Very high	90.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-72.3	136	177.7	-78.6	17	0	0	0	110.2	F440 L468 I479 L486 L490 L575 F599 C600	F440-F482 HydrophobicContact CE1-CD1 4.23Å; F440-F482 AromaticContact CE1-CE1 3.53Å; F440-F482 HydrophobicContact CE1-CE1 3.53Å; F440-F482 HydrophobicContact CE1-CZ 4.03Å; F440-F482 AromaticContact CZ-CE1 3.7Å; F440-F482 HydrophobicContact CZ-CE1 3.7Å; F440-F482 HydrophobicContact CZ-CZ 4.09Å; L468-F482 HydrophobicContact CD1-CE1 4.28Å; L468-F482 HydrophobicContact CD1-CZ 3.87Å; I479-F482 HydrophobicContact CG2-CD1 3.51Å; I479-F482 HydrophobicContact CG2-CE1 3.56Å; I479-F482 HydrophobicContact CG2-CG 4.14Å; I479-F482 HydrophobicContact CG2-CZ 4.22Å; F482-L486 HydrophobicContact CB-CD2 4.3Å; F482-L486 HydrophobicContact CD1-CD2 4Å; F482-L486 HydrophobicContact CD2-CD2 3.84Å; F482-L486 HydrophobicContact CD2-CG 4.06Å; F482-L486 HydrophobicContact CE1-CD2 4.25Å; F482-L486 HydrophobicContact CE2-CD2 4.11Å; F482-L486 HydrophobicContact CE2-CG 4.45Å; F482-L486 HydrophobicContact CG-CD2 3.79Å; F482-L486 HydrophobicContact CG-CG 4.36Å; F482-L486 HydrophobicContact CZ-CD2 4.3Å; F482-L490 HydrophobicContact CD2-CD1 4.07Å; F482-L490 HydrophobicContact CE2-CD1 3.58Å; F482-L575 HydrophobicContact CZ-CD2 4.45Å; F482-F599 HydrophobicContact CB-CB 4.45Å; F482-F599 WeakPolarHBondContact CB-O 3.3Å; F482-F599 HydrophobicContact CD2-CB 4.39Å; F482-F599 AromaticContact CD2-CD1 3.65Å; F482-F599 HydrophobicContact CD2-CD1 3.65Å; F482-F599 HydrophobicContact CD2-CE1 4.49Å; F482-F599 HydrophobicContact CD2-CG 4.5Å; F482-F599 AromaticContact CE2-CD1 3.67Å; F482-F599 HydrophobicContact CE2-CD1 3.67Å; F482-F599 HydrophobicContact CE2-CE1 4.09Å; F482-F599 HydrophobicContact CG-CD1 4.37Å; F482-F599 HydrophobicContact CZ-CD1 4.42Å; F482-F599 PolarHBondContact N-O 3.23Å; F482-C600 WeakPolarHBondContact O-CA 3.49Å; F482-C600 PolarHBondContact O-SG 3.42Å; F482-C600 VanDerWaalsContact O-SG 3.33Å
483	S	95.1	Very high	90	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	11%	0.109	C	C	.	.			trans	-65.5	156.4	169.2	88.8	0	0	0	0	110.4	S446 K447 N448 G485 L486 Y487	S446-S483 WeakPolarHBondContact OG-CA 3.22Å; S446-S483 VanDerWaalsContact OG-CB 3.29Å; S446-S483 WeakPolarHBondContact OG-CB 3.33Å; K447-S483 WeakPolarHBondContact O-CB 3.33Å; K447-S483 PolarHBondContact O-N 3.39Å; N448-S483 PolarHBondContact OD1-OG 3.02Å; S483-G485 PolarHBondContact O-N 3.41Å; S483-G485 PolarHBondContact OG-N 2.92Å; S483-L486 PolarHBondContact O-N 2.85Å; S483-L486 PolarHBondContact OG-N 3.42Å; S483-Y487 PolarHBondContact O-N 3.35Å
484	H	93.8	Very high	89.6	Confident	100 Å²	100	23 Å²	23	46%	0.463	13%	0.128	S	C	.	.	H	α-helix	trans	-58.7	-36.3	172.5	-65.1	-163.8	0	0	0	111.2	Y487 Q488 F596	H484-Y487 PolarHBondContact O-N 3.06Å; H484-Q488 VanDerWaalsContact O-CB 3.31Å; H484-Q488 WeakPolarHBondContact O-CB 3.45Å; H484-Q488 PolarHBondContact O-N 2.79Å; H484-F596 AromaticContact CD2-CZ 3.63Å; H484-F596 AromaticContact CE1-CZ 3.78Å; H484-F596 AromaticContact CG-CZ 3.81Å; H484-F596 AromaticContact ND1-CZ 3.9Å; H484-F596 AromaticContact NE2-CE1 4Å; H484-F596 AromaticContact NE2-CZ 3.63Å
485	G	94	Very high	88.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-42.8	178	0	0	0	0	0	112.5	S483 C489	S483-G485 PolarHBondContact O-N 3.41Å; S483-G485 PolarHBondContact OG-N 2.92Å; G485-C489 WeakPolarHBondContact O-CB 3.34Å; G485-C489 PolarHBondContact O-N 3.05Å; G485-C489 PolarHBondContact O-SG 3.29Å
486	L	96.3	Very high	88.3	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-45.2	176.7	176.5	56.6	0	0	0	111.2	F440 L449 F482 S483 Q488 C489 L490 L572	F440-L486 HydrophobicContact CD1-CD2 4.37Å; F440-L486 HydrophobicContact CE1-CD2 4.01Å; L449-L486 HydrophobicContact CD1-CD1 3.93Å; L449-L486 HydrophobicContact CG-CD1 3.71Å; L449-L486 HydrophobicContact CG-CD2 4.27Å; F482-L486 HydrophobicContact CB-CD2 4.3Å; F482-L486 HydrophobicContact CD1-CD2 4Å; F482-L486 HydrophobicContact CD2-CD2 3.84Å; F482-L486 HydrophobicContact CD2-CG 4.06Å; F482-L486 HydrophobicContact CE1-CD2 4.25Å; F482-L486 HydrophobicContact CE2-CD2 4.11Å; F482-L486 HydrophobicContact CE2-CG 4.45Å; F482-L486 HydrophobicContact CG-CD2 3.79Å; F482-L486 HydrophobicContact CG-CG 4.36Å; F482-L486 HydrophobicContact CZ-CD2 4.3Å; S483-L486 PolarHBondContact O-N 2.85Å; S483-L486 PolarHBondContact OG-N 3.42Å; L486-Q488 VanDerWaalsContact C-N 3.33Å; L486-Q488 PolarHBondContact O-N 3.02Å; L486-C489 CarbonylContact O-C 3.53Å; L486-C489 WeakPolarHBondContact O-CB 3.39Å; L486-C489 PolarHBondContact O-N 2.87Å; L486-C489 VanDerWaalsContact O-N 3.16Å; L486-L490 HydrophobicContact CD1-CD1 3.9Å; L486-L490 HydrophobicContact CD1-CG 4Å; L486-L490 HydrophobicContact CG-CD1 3.98Å; L486-L490 HydrophobicContact CG-CG 4.49Å; L486-L490 WeakPolarHBondContact O-CG 3.28Å; L486-L490 PolarHBondContact O-N 2.86Å; L486-L572 HydrophobicContact CD1-CD2 3.87Å
487	Y	95.6	Very high	88	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-44.5	177.7	-168.6	-94.3	0	0	0	111.7	S483 H484 C489 L490 F491 Y493 V588 P592 F596 F599 C600	S483-Y487 PolarHBondContact O-N 3.35Å; H484-Y487 PolarHBondContact O-N 3.06Å; Y487-C489 VanDerWaalsContact C-N 3.35Å; Y487-C489 PolarHBondContact O-N 3.42Å; Y487-L490 PolarHBondContact O-N 3Å; Y487-F491 HydrophobicContact CD1-CD2 4.21Å; Y487-F491 AromaticContact CD2-CD2 3.58Å; Y487-F491 HydrophobicContact CD2-CD2 3.58Å; Y487-F491 AromaticContact CD2-CE2 3.72Å; Y487-F491 HydrophobicContact CD2-CE2 3.72Å; Y487-F491 HydrophobicContact CE1-CD2 4.12Å; Y487-F491 AromaticContact CE2-CD2 3.46Å; Y487-F491 HydrophobicContact CE2-CD2 3.46Å; Y487-F491 VanDerWaalsContact CE2-CD2 3.46Å; Y487-F491 AromaticContact CE2-CE2 3.57Å; Y487-F491 HydrophobicContact CE2-CE2 3.57Å; Y487-F491 AromaticContact CG-CD2 3.97Å; Y487-F491 HydrophobicContact CG-CD2 3.97Å; Y487-F491 AromaticContact CZ-CD2 3.76Å; Y487-F491 WeakPolarHBondContact O-CD2 3.32Å; Y487-F491 PolarHBondContact O-N 3.3Å; Y487-Y493 HydrophobicContact CD1-CD1 4.18Å; Y487-Y493 AromaticContact CE1-CD1 3.78Å; Y487-Y493 HydrophobicContact CE1-CD1 3.78Å; Y487-Y493 HydrophobicContact CE1-CG 4.24Å; Y487-V588 HydrophobicContact CE2-CG1 4.23Å; Y487-V588 WeakPolarHBondContact OH-CG1 3.11Å; Y487-P592 HydrophobicContact CE1-CB 4.42Å; Y487-P592 WeakPolarHBondContact OH-CA 3.29Å; Y487-P592 PolarHBondContact OH-O 2.76Å; Y487-F596 AromaticContact CD1-CD2 3.63Å; Y487-F596 HydrophobicContact CD1-CD2 3.63Å; Y487-F596 HydrophobicContact CD1-CE2 4.05Å; Y487-F596 HydrophobicContact CE1-CB 4.39Å; Y487-F596 AromaticContact CE1-CD2 3.7Å; Y487-F596 HydrophobicContact CE1-CD2 3.7Å; Y487-F596 HydrophobicContact CG-CD2 4.26Å; Y487-F596 PolarHBondContact OH-N 3.31Å; Y487-F599 HydrophobicContact CD2-CB 3.55Å; Y487-F599 HydrophobicContact CD2-CD1 4.39Å; Y487-F599 AromaticContact CD2-CG 3.94Å; Y487-F599 HydrophobicContact CD2-CG 3.94Å; Y487-F599 HydrophobicContact CE2-CB 3.63Å; Y487-F599 HydrophobicContact CE2-CD1 4.37Å; Y487-F599 AromaticContact CE2-CD2 3.85Å; Y487-F599 HydrophobicContact CE2-CD2 3.85Å; Y487-F599 AromaticContact CE2-CG 3.7Å; Y487-F599 HydrophobicContact CE2-CG 3.7Å; Y487-C600 WeakPolarHBondContact CB-SG 3.42Å
488	Q	92.4	Very high	87.8	Confident	16 Å²	16	38.5 Å²	38.5	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-41.6	174.1	-173.1	176.3	-13.7	0	0	111.9	H484 L486 L490 N492 Y493 C497 L499	H484-Q488 VanDerWaalsContact O-CB 3.31Å; H484-Q488 WeakPolarHBondContact O-CB 3.45Å; H484-Q488 PolarHBondContact O-N 2.79Å; L486-Q488 VanDerWaalsContact C-N 3.33Å; L486-Q488 PolarHBondContact O-N 3.02Å; Q488-L490 VanDerWaalsContact C-N 3.28Å; Q488-L490 PolarHBondContact O-N 2.96Å; Q488-N492 WeakPolarHBondContact O-CA 3.35Å; Q488-N492 PolarHBondContact O-N 2.72Å; Q488-Y493 WeakPolarHBondContact CA-O 3.2Å; Q488-Y493 WeakPolarHBondContact CB-O 3.38Å; Q488-C497 PolarHBondContact NE2-O 3.12Å; Q488-L499 HydrophobicContact CB-CD2 4.43Å; Q488-L499 HydrophobicContact CG-CD2 4.28Å
489	C	92.3	Very high	87.9	Confident	13 Å²	13	37.1 Å²	37.1	9%	0.088	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-34.7	174.9	-72	0	0	0	0	112.1	G485 L486 Y487 L572 R576	G485-C489 WeakPolarHBondContact O-CB 3.34Å; G485-C489 PolarHBondContact O-N 3.05Å; G485-C489 PolarHBondContact O-SG 3.29Å; L486-C489 CarbonylContact O-C 3.53Å; L486-C489 WeakPolarHBondContact O-CB 3.39Å; L486-C489 PolarHBondContact O-N 2.87Å; L486-C489 VanDerWaalsContact O-N 3.16Å; Y487-C489 VanDerWaalsContact C-N 3.35Å; Y487-C489 PolarHBondContact O-N 3.42Å; C489-L572 HydrophobicContact CB-CD1 4.17Å; C489-L572 HydrophobicContact CB-CD2 3.93Å; C489-R576 PolarHBondContact O-NH2 3.37Å
490	L	92.1	Very high	87.9	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-80.3	-42.2	-178.2	-70.9	170.4	0	0	0	113	F482 L486 Y487 Q488 L572 L575 R576	F482-L490 HydrophobicContact CD2-CD1 4.07Å; F482-L490 HydrophobicContact CE2-CD1 3.58Å; L486-L490 HydrophobicContact CD1-CD1 3.9Å; L486-L490 HydrophobicContact CD1-CG 4Å; L486-L490 HydrophobicContact CG-CD1 3.98Å; L486-L490 HydrophobicContact CG-CG 4.49Å; L486-L490 WeakPolarHBondContact O-CG 3.28Å; L486-L490 PolarHBondContact O-N 2.86Å; Y487-L490 PolarHBondContact O-N 3Å; Q488-L490 VanDerWaalsContact C-N 3.28Å; Q488-L490 PolarHBondContact O-N 2.96Å; L490-L572 HydrophobicContact CD2-CD2 3.73Å; L490-L572 HydrophobicContact CG-CD2 4.15Å; L490-L575 HydrophobicContact CD1-CD2 3.98Å; L490-L575 HydrophobicContact CD2-CD2 4.11Å; L490-R576 HydrophobicContact CD2-CG 3.63Å; L490-R576 PolarHBondContact O-NE 3.37Å
491	F	88.7	Confident	88.1	Confident	17 Å²	17	40.2 Å²	40.2	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-120	-0.7	-167.4	-54.5	-71.1	0	0	0	114.6	Y487 Y493 L579 F585 V588 F599	Y487-F491 HydrophobicContact CD1-CD2 4.21Å; Y487-F491 AromaticContact CD2-CD2 3.58Å; Y487-F491 HydrophobicContact CD2-CD2 3.58Å; Y487-F491 AromaticContact CD2-CE2 3.72Å; Y487-F491 HydrophobicContact CD2-CE2 3.72Å; Y487-F491 HydrophobicContact CE1-CD2 4.12Å; Y487-F491 AromaticContact CE2-CD2 3.46Å; Y487-F491 HydrophobicContact CE2-CD2 3.46Å; Y487-F491 VanDerWaalsContact CE2-CD2 3.46Å; Y487-F491 AromaticContact CE2-CE2 3.57Å; Y487-F491 HydrophobicContact CE2-CE2 3.57Å; Y487-F491 AromaticContact CG-CD2 3.97Å; Y487-F491 HydrophobicContact CG-CD2 3.97Å; Y487-F491 AromaticContact CZ-CD2 3.76Å; Y487-F491 WeakPolarHBondContact O-CD2 3.32Å; Y487-F491 PolarHBondContact O-N 3.3Å; F491-Y493 VanDerWaalsContact C-N 3.34Å; F491-Y493 PolarHBondContact O-N 3.08Å; F491-L579 HydrophobicContact CZ-CD1 4.3Å; F491-F585 HydrophobicContact CD1-CD2 4.11Å; F491-F585 AromaticContact CD1-CE2 3.63Å; F491-F585 HydrophobicContact CD1-CE2 3.63Å; F491-F585 HydrophobicContact CD1-CZ 4.2Å; F491-F585 AromaticContact CE1-CD2 3.33Å; F491-F585 HydrophobicContact CE1-CD2 3.33Å; F491-F585 AromaticContact CE1-CE2 3.28Å; F491-F585 HydrophobicContact CE1-CE2 3.28Å; F491-F585 HydrophobicContact CE1-CG 4.24Å; F491-F585 HydrophobicContact CE1-CZ 4.23Å; F491-F585 HydrophobicContact CZ-CD2 4.12Å; F491-F585 HydrophobicContact CZ-CE2 4.19Å; F491-V588 HydrophobicContact CD1-CB 4.17Å; F491-V588 HydrophobicContact CD1-CG1 3.61Å; F491-V588 HydrophobicContact CD2-CG1 3.93Å; F491-V588 HydrophobicContact CE1-CB 3.71Å; F491-V588 HydrophobicContact CE1-CG1 3.4Å; F491-V588 VanDerWaalsContact CE1-CG1 3.4Å; F491-V588 HydrophobicContact CE2-CG1 3.76Å; F491-V588 HydrophobicContact CG-CG1 3.86Å; F491-V588 HydrophobicContact CZ-CB 4.07Å; F491-V588 HydrophobicContact CZ-CG1 3.5Å; F491-V588 VanDerWaalsContact CZ-CG1 3.5Å; F491-F599 HydrophobicContact CE2-CD1 4.45Å; F491-F599 HydrophobicContact CE2-CE1 4.27Å; F491-F599 HydrophobicContact CZ-CE1 4.24Å; F491-F599 HydrophobicContact CZ-CZ 4.29Å
492	N	84.1	Confident	88.1	Confident	83 Å²	83	47.1 Å²	47.1	44%	0.444	27%	0.269	S	S	.	.			trans	52.5	49.9	-174	-171.4	33.7	0	0	0	112.2	Q488 P494 A495 N496	Q488-N492 WeakPolarHBondContact O-CA 3.35Å; Q488-N492 PolarHBondContact O-N 2.72Å; N492-P494 CarbonylContact O-C 3.4Å; N492-A495 WeakPolarHBondContact O-CA 3.09Å; N492-A495 PolarHBondContact O-N 3.27Å; N492-N496 PolarHBondContact OD1-N 3.19Å
493	Y	84.3	Confident	88	Confident	72 Å²	72	49.2 Å²	49.2	28%	0.282	28%	0.278	S	S	.	.			trans	-129.3	126.7	176.4	-179.1	-93.9	0	0	0	111.1	Y487 Q488 F491 P592 S593 F596	Y487-Y493 HydrophobicContact CD1-CD1 4.18Å; Y487-Y493 AromaticContact CE1-CD1 3.78Å; Y487-Y493 HydrophobicContact CE1-CD1 3.78Å; Y487-Y493 HydrophobicContact CE1-CG 4.24Å; Q488-Y493 WeakPolarHBondContact CA-O 3.2Å; Q488-Y493 WeakPolarHBondContact CB-O 3.38Å; F491-Y493 VanDerWaalsContact C-N 3.34Å; F491-Y493 PolarHBondContact O-N 3.08Å; Y493-P592 HydrophobicContact CD2-CB 3.97Å; Y493-P592 HydrophobicContact CD2-CG 3.83Å; Y493-P592 HydrophobicContact CG-CB 3.84Å; Y493-P592 HydrophobicContact CG-CG 4.2Å; Y493-S593 VanDerWaalsContact OH-CB 3.24Å; Y493-S593 WeakPolarHBondContact OH-CB 3.35Å; Y493-F596 AromaticContact CD1-CD2 3.83Å; Y493-F596 HydrophobicContact CD1-CD2 3.83Å; Y493-F596 HydrophobicContact CD1-CE2 4.46Å; Y493-F596 HydrophobicContact CE1-CB 4.27Å; Y493-F596 AromaticContact CE1-CD2 3.79Å; Y493-F596 HydrophobicContact CE1-CD2 3.79Å; Y493-F596 HydrophobicContact CE1-CE2 4.48Å; Y493-F596 HydrophobicContact CE1-CG 4.19Å
494	P	80.1	Confident	88	Confident	61 Å²	61	49.4 Å²	49.4	40%	0.396	28%	0.279	S	S	.	.	S	Bend	cis	-63.6	143.4	-4.3	-19.9	33.1	0	0	0	112.7	N492 N496	N492-P494 CarbonylContact O-C 3.4Å; P494-N496 PolarHBondContact O-N 2.88Å
495	A	67.3	Low	88	Confident	62 Å²	62	45 Å²	45	51%	0.512	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	133.9	-171.5	0	0	0	0	0	112.4	N492 C497	N492-A495 WeakPolarHBondContact O-CA 3.09Å; N492-A495 PolarHBondContact O-N 3.27Å; A495-C497 PolarHBondContact O-N 3.05Å
496	N	70.9	Confident	87.9	Confident	145 Å²	145	48.2 Å²	48.2	78%	0.775	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	21	176.1	-48.9	-46.5	0	0	0	114.5	N492 P494	N492-N496 PolarHBondContact OD1-N 3.19Å; P494-N496 PolarHBondContact O-N 2.88Å
497	C	77.5	Confident	87.4	Confident	62 Å²	62	56.4 Å²	56.4	42%	0.419	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-81.1	137.3	168.3	-70.9	0	0	0	0	109.7	Q488 A495	Q488-C497 PolarHBondContact NE2-O 3.12Å; A495-C497 PolarHBondContact O-N 3.05Å
498	P	80.4	Confident	87.2	Confident	99 Å²	99	58 Å²	58	64%	0.643	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-70.1	146.6	173.2	28.8	-32.9	0	0	0	110.4
499	L	90.8	Very high	87.1	Confident	21 Å²	21	62.9 Å²	62.9	11%	0.11	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-75.5	145.8	168	-66.9	172.5	0	0	0	109.3	Q488 H503 V560 M564 I565	Q488-L499 HydrophobicContact CB-CD2 4.43Å; Q488-L499 HydrophobicContact CG-CD2 4.28Å; L499-H503 HydrophobicContact CD2-CB 4.2Å; L499-V560 HydrophobicContact CB-CG1 3.67Å; L499-M564 HydrophobicContact CD1-CB 3.81Å; L499-M564 HydrophobicContact CD1-CG 4.5Å; L499-I565 HydrophobicContact CD1-CD1 3.76Å; L499-I565 HydrophobicContact CD1-CG1 3.78Å
500	S	92.6	Very high	87.1	Confident	48 Å²	48	64.3 Å²	64.3	34%	0.336	36%	0.355	S	S	.	.			trans	-126	170.1	179.5	71.8	0	0	0	0	111.3	N502 H503	S500-N502 PolarHBondContact O-N 2.84Å; S500-N502 VanDerWaalsContact O-N 3.08Å; S500-H503 PolarHBondContact N-ND1 2.88Å; S500-H503 WeakPolarHBondContact O-CB 3.27Å; S500-H503 PolarHBondContact O-N 3.49Å; S500-H503 PolarHBondContact O-ND1 3.07Å; S500-H503 PolarHBondContact OG-CE1 3.23Å; S500-H503 PolarHBondContact OG-ND1 2.64Å
501	L	93.5	Very high	87.2	Confident	33 Å²	33	64.9 Å²	64.9	17%	0.173	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-50.8	-34.6	177.9	-178.2	61.8	0	0	0	113.2	H503 M504 T511 V514 H515 A518	L501-H503 PolarHBondContact O-N 3.04Å; L501-M504 HydrophobicContact CD1-SD 3.78Å; L501-M504 WeakPolarHBondContact O-CB 3.07Å; L501-M504 PolarHBondContact O-N 3.15Å; L501-M504 VanDerWaalsContact O-N 3.13Å; L501-T511 HydrophobicContact CD1-CG2 4.15Å; L501-V514 HydrophobicContact CD1-CB 3.96Å; L501-V514 HydrophobicContact CD1-CG1 3.77Å; L501-H515 HydrophobicContact CD2-CB 4.07Å; L501-A518 HydrophobicContact CD2-CB 4.27Å
502	N	92.3	Very high	87.4	Confident	148 Å²	148	68.3 Å²	68.3	79%	0.791	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-66.3	-17.2	-179.6	-63.5	-13.3	0	0	0	113.7	S500	S500-N502 PolarHBondContact O-N 2.84Å; S500-N502 VanDerWaalsContact O-N 3.08Å
503	H	94.6	Very high	87.9	Confident	44 Å²	44	65.3 Å²	65.3	20%	0.204	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-87	-15.2	178.1	-61.1	95.3	0	0	0	112.7	N448 L499 S500 L501	N448-H503 PolarHBondContact ND2-O 2.98Å; L499-H503 HydrophobicContact CD2-CB 4.2Å; S500-H503 PolarHBondContact N-ND1 2.88Å; S500-H503 WeakPolarHBondContact O-CB 3.27Å; S500-H503 PolarHBondContact O-N 3.49Å; S500-H503 PolarHBondContact O-ND1 3.07Å; S500-H503 PolarHBondContact OG-CE1 3.23Å; S500-H503 PolarHBondContact OG-ND1 2.64Å; L501-H503 PolarHBondContact O-N 3.04Å
504	M	95.1	Very high	88.5	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.039	35%	0.345	C	S	.	.	S	Bend	trans	-73.4	152.1	179	-60.2	-176.6	67.8	0	0	111	L501 F510 T511 V514 V560 T563 M564	L501-M504 HydrophobicContact CD1-SD 3.78Å; L501-M504 WeakPolarHBondContact O-CB 3.07Å; L501-M504 PolarHBondContact O-N 3.15Å; L501-M504 VanDerWaalsContact O-N 3.13Å; M504-F510 HydrophobicContact CE-CB 4.39Å; M504-T511 HydrophobicContact CB-CG2 4.08Å; M504-T511 WeakPolarHBondContact CB-OG1 3.45Å; M504-V514 HydrophobicContact CE-CG2 4.06Å; M504-V514 HydrophobicContact SD-CB 4.22Å; M504-V514 HydrophobicContact SD-CG1 4.29Å; M504-V514 HydrophobicContact SD-CG2 4.16Å; M504-V560 HydrophobicContact CG-CG1 4.33Å; M504-V560 HydrophobicContact CG-CG2 4.32Å; M504-V560 HydrophobicContact SD-CB 4.42Å; M504-V560 HydrophobicContact SD-CG2 3.72Å; M504-T563 HydrophobicContact CE-CG2 3.6Å; M504-M564 HydrophobicContact CG-CG 4.29Å
505	T	94	Very high	89.2	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.043	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-60.9	123.3	175.7	-46.9	0	0	0	0	109.8	E441 G442 N448 T508 T511	E441-T505 HydrophobicContact CB-CG2 4.28Å; E441-T505 HydrophobicContact CG-CG2 3.86Å; E441-T505 WeakPolarHBondContact OE1-CB 3.37Å; E441-T505 PolarHBondContact OE1-OG1 3.48Å; G442-T505 VanDerWaalsContact CA-CG2 3.48Å; N448-T505 WeakPolarHBondContact CB-OG1 3.2Å; N448-T505 PolarHBondContact ND2-N 2.83Å; N448-T505 PolarHBondContact ND2-OG1 3.38Å; T505-T508 HydrophobicContact CG2-CG2 3.65Å; T505-T508 PolarHBondContact O-OG1 3.44Å; T505-T511 VanDerWaalsContact O-CB 3.28Å; T505-T511 WeakPolarHBondContact O-CB 3.41Å; T505-T511 PolarHBondContact O-OG1 2.98Å
506	P	91.1	Very high	90.6	Very high	67 Å²	67	68.4 Å²	68.4	44%	0.435	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	156.9	-178.6	27.9	-34.9	0	0	0	111.1	P443 T508	P443-P506 HydrophobicContact CG-CG 4.1Å; P506-T508 PolarHBondContact O-N 2.94Å
507	E	86.8	Confident	91.7	Very high	174 Å²	174	61.5 Å²	61.5	81%	0.813	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-4.1	175.3	-55.3	-177.4	173.3	0	0	116.8	Q512	E507-Q512 PolarHBondContact O-NE2 2.92Å
508	T	90.8	Very high	92.6	Very high	33 Å²	33	60 Å²	60	20%	0.202	31%	0.308	C	S	.	.			trans	-68.9	153.5	173.9	73	0	0	0	0	111.8	T505 P506 F510 T511 Q512	T505-T508 HydrophobicContact CG2-CG2 3.65Å; T505-T508 PolarHBondContact O-OG1 3.44Å; P506-T508 PolarHBondContact O-N 2.94Å; T508-F510 VanDerWaalsContact C-N 3.28Å; T508-F510 PolarHBondContact O-N 3.11Å; T508-T511 PolarHBondContact O-N 3.29Å; T508-T511 WeakPolarHBondContact OG1-CB 3.32Å; T508-T511 PolarHBondContact OG1-N 3.31Å; T508-T511 PolarHBondContact OG1-OG1 3.29Å; T508-Q512 WeakPolarHBondContact O-CG 3.38Å; T508-Q512 PolarHBondContact O-N 3.1Å
509	H	90.6	Very high	93.3	Very high	119 Å²	119	57.7 Å²	57.7	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-54	-44.3	178.3	178.3	-93.8	0	0	0	112.4	Q512 Q513	H509-Q512 PolarHBondContact O-N 3.46Å; H509-Q513 PolarHBondContact CE1-NE2 3.38Å; H509-Q513 PolarHBondContact CE1-OE1 2.94Å; H509-Q513 VanDerWaalsContact CE1-OE1 3.31Å; H509-Q513 WeakPolarHBondContact O-CG 3.47Å; H509-Q513 PolarHBondContact O-N 2.88Å; H509-Q513 VanDerWaalsContact O-N 3.1Å
510	F	91	Very high	93.6	Very high	43 Å²	43	56.7 Å²	56.7	19%	0.189	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-46	178.5	-63.1	-60.5	0	0	0	111.8	M504 T508 Q512 Q513 V514 F536 T563	M504-F510 HydrophobicContact CE-CB 4.39Å; T508-F510 VanDerWaalsContact C-N 3.28Å; T508-F510 PolarHBondContact O-N 3.11Å; F510-Q512 VanDerWaalsContact C-N 3.31Å; F510-Q512 PolarHBondContact O-N 3.31Å; F510-Q513 PolarHBondContact O-N 3.38Å; F510-Q513 VanDerWaalsContact O-N 3.15Å; F510-V514 WeakPolarHBondContact O-CG2 3.45Å; F510-V514 PolarHBondContact O-N 3.49Å; F510-F536 HydrophobicContact CB-CZ 4.42Å; F510-F536 HydrophobicContact CD1-CD1 4.43Å; F510-F536 AromaticContact CD1-CD2 3.38Å; F510-F536 HydrophobicContact CD1-CD2 3.38Å; F510-F536 HydrophobicContact CD1-CE1 4.44Å; F510-F536 AromaticContact CD1-CE2 3.4Å; F510-F536 HydrophobicContact CD1-CE2 3.4Å; F510-F536 VanDerWaalsContact CD1-CE2 3.4Å; F510-F536 AromaticContact CD1-CG 3.93Å; F510-F536 HydrophobicContact CD1-CG 3.93Å; F510-F536 AromaticContact CD1-CZ 3.96Å; F510-F536 HydrophobicContact CD1-CZ 3.96Å; F510-F536 AromaticContact CE1-CD2 3.51Å; F510-F536 HydrophobicContact CE1-CD2 3.51Å; F510-F536 AromaticContact CE1-CE2 3.86Å; F510-F536 HydrophobicContact CE1-CE2 3.86Å; F510-F536 HydrophobicContact CE1-CG 4.21Å; F510-F536 HydrophobicContact CG-CE2 4.24Å; F510-T563 HydrophobicContact CB-CG2 4.14Å
511	T	94.3	Very high	93.7	Very high	16 Å²	16	62.3 Å²	62.3	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-39.6	178.4	-56.3	0	0	0	0	111.8	L501 M504 T505 T508 Q513 V514 H515	L501-T511 HydrophobicContact CD1-CG2 4.15Å; M504-T511 HydrophobicContact CB-CG2 4.08Å; M504-T511 WeakPolarHBondContact CB-OG1 3.45Å; T505-T511 VanDerWaalsContact O-CB 3.28Å; T505-T511 WeakPolarHBondContact O-CB 3.41Å; T505-T511 PolarHBondContact O-OG1 2.98Å; T508-T511 PolarHBondContact O-N 3.29Å; T508-T511 WeakPolarHBondContact OG1-CB 3.32Å; T508-T511 PolarHBondContact OG1-N 3.31Å; T508-T511 PolarHBondContact OG1-OG1 3.29Å; T511-Q513 PolarHBondContact O-N 3.33Å; T511-V514 PolarHBondContact O-N 3.17Å; T511-H515 WeakPolarHBondContact O-CB 3.24Å; T511-H515 PolarHBondContact O-N 2.92Å
512	Q	94.3	Very high	93.8	Very high	90 Å²	90	63.2 Å²	63.2	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-39.8	175.5	-68.6	179.2	15.5	0	0	112.2	E507 T508 H509 F510 R516	E507-Q512 PolarHBondContact O-NE2 2.92Å; T508-Q512 WeakPolarHBondContact O-CG 3.38Å; T508-Q512 PolarHBondContact O-N 3.1Å; H509-Q512 PolarHBondContact O-N 3.46Å; F510-Q512 VanDerWaalsContact C-N 3.31Å; F510-Q512 PolarHBondContact O-N 3.31Å; Q512-R516 WeakPolarHBondContact O-CG 3.43Å; Q512-R516 PolarHBondContact O-N 3.21Å
513	Q	94.2	Very high	94	Very high	20 Å²	20	58.5 Å²	58.5	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-48	176	-73.7	-177.9	-38.8	0	0	111.8	H509 F510 T511 H515 R516 I517 F536	H509-Q513 PolarHBondContact CE1-NE2 3.38Å; H509-Q513 PolarHBondContact CE1-OE1 2.94Å; H509-Q513 VanDerWaalsContact CE1-OE1 3.31Å; H509-Q513 WeakPolarHBondContact O-CG 3.47Å; H509-Q513 PolarHBondContact O-N 2.88Å; H509-Q513 VanDerWaalsContact O-N 3.1Å; F510-Q513 PolarHBondContact O-N 3.38Å; F510-Q513 VanDerWaalsContact O-N 3.15Å; T511-Q513 PolarHBondContact O-N 3.33Å; Q513-H515 VanDerWaalsContact C-N 3.31Å; Q513-H515 PolarHBondContact O-N 3.15Å; Q513-R516 PolarHBondContact O-N 3.47Å; Q513-I517 WeakPolarHBondContact O-CG1 3.36Å; Q513-I517 PolarHBondContact O-N 2.94Å; Q513-I517 VanDerWaalsContact O-N 3.09Å; Q513-F536 HydrophobicContact CB-CD1 4.17Å; Q513-F536 VanDerWaalsContact OE1-CB 3.25Å
514	V	96.1	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-39.7	177.5	-176.7	0	0	0	0	111	L501 M504 F510 T511 R516 I517 A518 F536 V556 L559 V560	L501-V514 HydrophobicContact CD1-CB 3.96Å; L501-V514 HydrophobicContact CD1-CG1 3.77Å; M504-V514 HydrophobicContact CE-CG2 4.06Å; M504-V514 HydrophobicContact SD-CB 4.22Å; M504-V514 HydrophobicContact SD-CG1 4.29Å; M504-V514 HydrophobicContact SD-CG2 4.16Å; F510-V514 WeakPolarHBondContact O-CG2 3.45Å; F510-V514 PolarHBondContact O-N 3.49Å; T511-V514 PolarHBondContact O-N 3.17Å; V514-R516 PolarHBondContact O-N 3.23Å; V514-I517 PolarHBondContact O-N 3.04Å; V514-A518 WeakPolarHBondContact O-CB 3.18Å; V514-A518 PolarHBondContact O-N 2.82Å; V514-F536 HydrophobicContact CG2-CE1 3.7Å; V514-F536 HydrophobicContact CG2-CZ 4.08Å; V514-V556 HydrophobicContact CG1-CG1 3.91Å; V514-V556 HydrophobicContact CG1-CG2 4.45Å; V514-L559 HydrophobicContact CG2-CB 3.84Å; V514-L559 HydrophobicContact CG2-CD1 4.3Å; V514-V560 HydrophobicContact CG1-CG2 4.24Å
515	H	95.9	Very high	94	Very high	114 Å²	114	65.6 Å²	65.6	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-42.9	175.6	-176.8	-70.8	0	0	0	112.2	L501 T511 Q513 I517 A518 A519	L501-H515 HydrophobicContact CD2-CB 4.07Å; T511-H515 WeakPolarHBondContact O-CB 3.24Å; T511-H515 PolarHBondContact O-N 2.92Å; Q513-H515 VanDerWaalsContact C-N 3.31Å; Q513-H515 PolarHBondContact O-N 3.15Å; H515-I517 VanDerWaalsContact C-N 3.33Å; H515-I517 PolarHBondContact O-N 3.47Å; H515-A518 PolarHBondContact O-N 3.2Å; H515-A519 VanDerWaalsContact O-CB 3.27Å; H515-A519 WeakPolarHBondContact O-CB 3.09Å; H515-A519 PolarHBondContact O-N 2.95Å
516	R	95.1	Very high	94.1	Very high	146 Å²	146	65.2 Å²	65.2	55%	0.551	33%	0.331	S	S	*	.	H	α-helix	trans	-63.4	-39.3	176.1	-71.5	175.5	-168.7	176.6	6	111.9	Q512 Q513 V514 A519 A520 V529	Q512-R516 WeakPolarHBondContact O-CG 3.43Å; Q512-R516 PolarHBondContact O-N 3.21Å; Q513-R516 PolarHBondContact O-N 3.47Å; V514-R516 PolarHBondContact O-N 3.23Å; R516-A519 PolarHBondContact O-N 3.24Å; R516-A520 PolarHBondContact O-N 3.01Å; R516-V529 HydrophobicContact CB-CG1 3.69Å
517	I	95.3	Very high	94.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-44.6	175.8	-67.5	170.5	0	0	0	110.1	Q513 V514 H515 A519 A520 L526 V529 L537 R552 L555 V556 L559	Q513-I517 WeakPolarHBondContact O-CG1 3.36Å; Q513-I517 PolarHBondContact O-N 2.94Å; Q513-I517 VanDerWaalsContact O-N 3.09Å; V514-I517 PolarHBondContact O-N 3.04Å; H515-I517 VanDerWaalsContact C-N 3.33Å; H515-I517 PolarHBondContact O-N 3.47Å; I517-A519 VanDerWaalsContact C-N 3.3Å; I517-A519 PolarHBondContact O-N 3.27Å; I517-A520 PolarHBondContact O-N 3.25Å; I517-L526 HydrophobicContact CG2-CD1 3.82Å; I517-V529 HydrophobicContact CB-CG1 4.46Å; I517-V529 HydrophobicContact CG1-CG1 3.6Å; I517-L537 HydrophobicContact CD1-CD2 4.24Å; I517-R552 WeakPolarHBondContact O-CD 3.44Å; I517-R552 WeakPolarHBondContact O-CG 2.92Å; I517-L555 HydrophobicContact CG2-CD2 3.91Å; I517-L555 HydrophobicContact CG2-CG 4.33Å; I517-V556 HydrophobicContact CG2-CG2 3.99Å; I517-L559 HydrophobicContact CD1-CD1 3.59Å
518	A	95.6	Very high	94.7	Very high	30 Å²	30	63.6 Å²	63.6	25%	0.248	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-32.3	178.3	0	0	0	0	0	113	L501 V514 H515 V556	L501-A518 HydrophobicContact CD2-CB 4.27Å; V514-A518 WeakPolarHBondContact O-CB 3.18Å; V514-A518 PolarHBondContact O-N 2.82Å; H515-A518 PolarHBondContact O-N 3.2Å; A518-V556 HydrophobicContact CB-CG1 4.49Å; A518-V556 HydrophobicContact CB-CG2 3.79Å
519	A	95.9	Very high	94.9	Very high	50 Å²	50	63.1 Å²	63.1	41%	0.413	31%	0.314	S	S	.	.	H	α-helix	trans	-80.3	-10.5	-178.8	0	0	0	0	0	114.3	H515 R516 I517 E521	H515-A519 VanDerWaalsContact O-CB 3.27Å; H515-A519 WeakPolarHBondContact O-CB 3.09Å; H515-A519 PolarHBondContact O-N 2.95Å; R516-A519 PolarHBondContact O-N 3.24Å; I517-A519 VanDerWaalsContact C-N 3.3Å; I517-A519 PolarHBondContact O-N 3.27Å; A519-E521 PolarHBondContact O-N 3.34Å
520	A	96.2	Very high	95.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.			trans	-62.9	127.7	-179.3	0	0	0	0	0	111.4	R516 I517 E525 L526 R552	R516-A520 PolarHBondContact O-N 3.01Å; I517-A520 PolarHBondContact O-N 3.25Å; A520-E525 HydrophobicContact CB-CB 4.39Å; A520-E525 HydrophobicContact CB-CG 4.07Å; A520-L526 HydrophobicContact CB-CB 3.96Å; A520-L526 HydrophobicContact CB-CD1 4.29Å; A520-R552 PolarHBondContact O-NH1 3.2Å
521	E	94.6	Very high	95.2	Very high	166 Å²	166	63 Å²	63	78%	0.776	31%	0.312	S	S	*	.			trans	-99.2	-12.4	-176.9	-63.4	-174.2	172.1	0	0	112.6	A519 E525 L549	A519-E521 PolarHBondContact O-N 3.34Å; E521-E525 PolarHBondContact N-OE2 3.06Å; E521-L549 WeakPolarHBondContact O-CD2 3.31Å
522	S	96.6	Very high	95.2	Very high	52 Å²	52	66 Å²	66	36%	0.364	34%	0.338	S	S	.	.	S	Bend	trans	-136	157.8	179.9	70.8	0	0	0	0	112.8	D524 E525 L526	S522-D524 VanDerWaalsContact C-N 3.28Å; S522-D524 PolarHBondContact O-N 3.19Å; S522-E525 PolarHBondContact O-N 2.65Å; S522-E525 VanDerWaalsContact OG-CB 3.26Å; S522-E525 WeakPolarHBondContact OG-CB 3.43Å; S522-E525 PolarHBondContact OG-N 3.48Å; S522-L526 WeakPolarHBondContact O-CB 3.11Å; S522-L526 PolarHBondContact O-N 3.3Å
523	L	95.6	Very high	95.2	Very high	49 Å²	49	61.9 Å²	61.9	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-35.1	178.3	-179.5	62.6	0	0	0	112.5	K527 V546 T547	L523-K527 HydrophobicContact CG-CD 4.44Å; L523-K527 WeakPolarHBondContact O-CG 3.42Å; L523-K527 PolarHBondContact O-N 3.3Å; L523-K527 VanDerWaalsContact O-N 3.11Å; L523-V546 HydrophobicContact CD1-CG1 3.98Å; L523-T547 WeakPolarHBondContact CD2-O 3.32Å
524	D	94.9	Very high	95.1	Very high	118 Å²	118	67 Å²	67	63%	0.631	34%	0.338	S	S	*	.	H	α-helix	trans	-72.5	-42.1	179.4	-66.6	-34.4	0	0	0	111.3	S522 K527 E528	S522-D524 VanDerWaalsContact C-N 3.28Å; S522-D524 PolarHBondContact O-N 3.19Å; D524-K527 PolarHBondContact O-N 3.46Å; D524-E528 PolarHBondContact O-N 3.49Å
525	E	96.2	Very high	95	Very high	83 Å²	83	73.6 Å²	73.6	39%	0.388	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-44.8	173.3	-175.8	-179.8	-164.5	0	0	111.4	A520 E521 S522 K527 E528 V529	A520-E525 HydrophobicContact CB-CB 4.39Å; A520-E525 HydrophobicContact CB-CG 4.07Å; E521-E525 PolarHBondContact N-OE2 3.06Å; S522-E525 PolarHBondContact O-N 2.65Å; S522-E525 VanDerWaalsContact OG-CB 3.26Å; S522-E525 WeakPolarHBondContact OG-CB 3.43Å; S522-E525 PolarHBondContact OG-N 3.48Å; E525-K527 VanDerWaalsContact C-N 3.33Å; E525-K527 PolarHBondContact O-N 3.34Å; E525-E528 PolarHBondContact O-N 3.36Å; E525-V529 HydrophobicContact CG-CG2 4.47Å; E525-V529 WeakPolarHBondContact O-CG2 3.16Å; E525-V529 PolarHBondContact O-N 2.7Å
526	L	95.4	Very high	94.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-45.8	176.6	178.8	58.9	0	0	0	111.4	I517 A520 S522 E528 V529 M530 V546 L549 R552	I517-L526 HydrophobicContact CG2-CD1 3.82Å; A520-L526 HydrophobicContact CB-CB 3.96Å; A520-L526 HydrophobicContact CB-CD1 4.29Å; S522-L526 WeakPolarHBondContact O-CB 3.11Å; S522-L526 PolarHBondContact O-N 3.3Å; L526-E528 PolarHBondContact O-N 2.99Å; L526-V529 PolarHBondContact O-N 3.46Å; L526-M530 HydrophobicContact CD1-CG 4.23Å; L526-M530 HydrophobicContact CD1-SD 4.28Å; L526-M530 HydrophobicContact CG-CG 4.5Å; L526-M530 HydrophobicContact CG-SD 4.09Å; L526-M530 WeakPolarHBondContact O-CB 2.87Å; L526-M530 WeakPolarHBondContact O-CG 3.42Å; L526-M530 PolarHBondContact O-N 3.48Å; L526-V546 HydrophobicContact CD2-CG1 3.82Å; L526-L549 HydrophobicContact CD2-CD1 4.23Å; L526-R552 HydrophobicContact CD1-CG 4.28Å; L526-R552 HydrophobicContact CD2-CB 4.08Å
527	K	94.3	Very high	94.9	Very high	86 Å²	86	61.6 Å²	61.6	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-40.8	178	-75.2	171.1	-178.3	169.5	0	112.8	L523 D524 E525 M530 K531 V546	L523-K527 HydrophobicContact CG-CD 4.44Å; L523-K527 WeakPolarHBondContact O-CG 3.42Å; L523-K527 PolarHBondContact O-N 3.3Å; L523-K527 VanDerWaalsContact O-N 3.11Å; D524-K527 PolarHBondContact O-N 3.46Å; E525-K527 VanDerWaalsContact C-N 3.33Å; E525-K527 PolarHBondContact O-N 3.34Å; K527-M530 PolarHBondContact O-N 3.25Å; K527-K531 WeakPolarHBondContact O-CB 3.41Å; K527-K531 PolarHBondContact O-N 3.17Å; K527-V546 VanDerWaalsContact CE-O 3.27Å; K527-V546 WeakPolarHBondContact CE-O 3.4Å
528	E	95.6	Very high	94.9	Very high	120 Å²	120	66.7 Å²	66.7	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-66.7	-42.1	177.1	-74	-59.1	130.5	0	0	111.8	D524 E525 L526 K531 A532	D524-E528 PolarHBondContact O-N 3.49Å; E525-E528 PolarHBondContact O-N 3.36Å; L526-E528 PolarHBondContact O-N 2.99Å; E528-K531 PolarHBondContact O-N 2.73Å; E528-A532 WeakPolarHBondContact O-CB 3.49Å; E528-A532 PolarHBondContact O-N 3.05Å
529	V	95.3	Very high	94.8	Very high	24 Å²	24	70.8 Å²	70.8	15%	0.145	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-41.1	175.5	176.9	0	0	0	0	111.4	R516 I517 E525 L526 K531 A532 S533	R516-V529 HydrophobicContact CB-CG1 3.69Å; I517-V529 HydrophobicContact CB-CG1 4.46Å; I517-V529 HydrophobicContact CG1-CG1 3.6Å; E525-V529 HydrophobicContact CG-CG2 4.47Å; E525-V529 WeakPolarHBondContact O-CG2 3.16Å; E525-V529 PolarHBondContact O-N 2.7Å; L526-V529 PolarHBondContact O-N 3.46Å; V529-K531 VanDerWaalsContact C-N 3.35Å; V529-A532 PolarHBondContact O-N 3Å; V529-S533 WeakPolarHBondContact O-CB 3.44Å; V529-S533 PolarHBondContact O-N 3.12Å; V529-S533 PolarHBondContact O-OG 2.93Å
530	M	94.5	Very high	94.6	Very high	16 Å²	16	69.1 Å²	69.1	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-43.8	175.2	-75.6	178.2	72.5	0	0	111.5	L526 K527 A532 S533 W534 L537 R544 V546 L555	L526-M530 HydrophobicContact CD1-CG 4.23Å; L526-M530 HydrophobicContact CD1-SD 4.28Å; L526-M530 HydrophobicContact CG-CG 4.5Å; L526-M530 HydrophobicContact CG-SD 4.09Å; L526-M530 WeakPolarHBondContact O-CB 2.87Å; L526-M530 WeakPolarHBondContact O-CG 3.42Å; L526-M530 PolarHBondContact O-N 3.48Å; K527-M530 PolarHBondContact O-N 3.25Å; M530-A532 VanDerWaalsContact C-N 3.34Å; M530-A532 PolarHBondContact O-N 3.35Å; M530-S533 CarbonylContact O-C 3.43Å; M530-S533 VanDerWaalsContact O-C 3.3Å; M530-S533 PolarHBondContact O-N 2.83Å; M530-W534 PolarHBondContact O-N 3.48Å; M530-W534 VanDerWaalsContact O-N 3.08Å; M530-L537 HydrophobicContact CB-CD1 3.69Å; M530-L537 HydrophobicContact CE-CD1 3.91Å; M530-L537 HydrophobicContact CG-CD1 3.93Å; M530-L537 WeakPolarHBondContact O-CD1 3.32Å; M530-R544 WeakPolarHBondContact CE-O 3.48Å; M530-V546 HydrophobicContact CE-CG2 3.7Å; M530-V546 HydrophobicContact SD-CB 4.13Å; M530-V546 HydrophobicContact SD-CG2 3.61Å; M530-L555 HydrophobicContact CE-CD2 3.96Å; M530-L555 HydrophobicContact CG-CD2 4.11Å; M530-L555 HydrophobicContact SD-CD2 3.88Å
531	K	93.8	Very high	94.4	Very high	143 Å²	143	72.5 Å²	72.5	62%	0.622	38%	0.381	S	S	*	.	H	α-helix	trans	-63.4	-39.5	176.1	-174.9	-178.1	177.1	-171.4	0	112	K527 E528 V529 S533 W534	K527-K531 WeakPolarHBondContact O-CB 3.41Å; K527-K531 PolarHBondContact O-N 3.17Å; E528-K531 PolarHBondContact O-N 2.73Å; V529-K531 VanDerWaalsContact C-N 3.35Å; K531-S533 PolarHBondContact O-N 3.39Å; K531-W534 PolarHBondContact O-N 3.38Å
532	A	94	Very high	94.3	Very high	79 Å²	79	65 Å²	65	65%	0.653	35%	0.347	S	S	*	.	H	α-helix	trans	-67	-24.2	173.7	0	0	0	0	0	112.8	E528 V529 M530	E528-A532 WeakPolarHBondContact O-CB 3.49Å; E528-A532 PolarHBondContact O-N 3.05Å; V529-A532 PolarHBondContact O-N 3Å; M530-A532 VanDerWaalsContact C-N 3.34Å; M530-A532 PolarHBondContact O-N 3.35Å
533	S	93.9	Very high	94	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.028	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	20.8	-178.4	-48.2	0	0	0	0	113	V529 M530 K531 E535 F536 L537	V529-S533 WeakPolarHBondContact O-CB 3.44Å; V529-S533 PolarHBondContact O-N 3.12Å; V529-S533 PolarHBondContact O-OG 2.93Å; M530-S533 CarbonylContact O-C 3.43Å; M530-S533 VanDerWaalsContact O-C 3.3Å; M530-S533 PolarHBondContact O-N 2.83Å; K531-S533 PolarHBondContact O-N 3.39Å; S533-E535 PolarHBondContact O-N 2.79Å; S533-F536 PolarHBondContact O-N 3.16Å; S533-F536 VanDerWaalsContact O-N 3.14Å; S533-L537 PolarHBondContact O-N 2.93Å; S533-L537 VanDerWaalsContact O-N 3.1Å
534	W	93.4	Very high	93.6	Very high	128 Å²	128	68.6 Å²	68.6	49%	0.485	36%	0.356	S	S	.	.	H	α-helix	trans	-58.2	-41.6	-167.7	85.7	-86.9	0	0	0	113.6	M530 K531 F536 L537 E538	M530-W534 PolarHBondContact O-N 3.48Å; M530-W534 VanDerWaalsContact O-N 3.08Å; K531-W534 PolarHBondContact O-N 3.38Å; W534-F536 VanDerWaalsContact C-N 3.27Å; W534-F536 PolarHBondContact O-N 2.88Å; W534-L537 PolarHBondContact O-N 3.44Å; W534-E538 HydrophobicContact CE3-CB 4.26Å; W534-E538 HydrophobicContact CZ3-CB 4.27Å; W534-E538 HydrophobicContact CZ3-CG 4.38Å; W534-E538 WeakPolarHBondContact CZ3-OE2 3.36Å; W534-E538 WeakPolarHBondContact O-CB 3.17Å; W534-E538 PolarHBondContact O-N 3.03Å
535	E	93.8	Very high	93.2	Very high	138 Å²	138	68.6 Å²	68.6	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-60.9	-39	-178.7	-61.6	178.1	155.9	0	0	111.4	S533 L539	S533-E535 PolarHBondContact O-N 2.79Å; E535-L539 WeakPolarHBondContact O-CB 3.4Å; E535-L539 PolarHBondContact O-N 3.21Å
536	F	93.9	Very high	92.9	Very high	6 Å²	6	65 Å²	65	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-71.9	-43.2	178.1	172.5	-132.5	0	0	0	111.4	F510 Q513 V514 S533 W534 E538 L539 A540 L559 F562	F510-F536 HydrophobicContact CB-CZ 4.42Å; F510-F536 HydrophobicContact CD1-CD1 4.43Å; F510-F536 AromaticContact CD1-CD2 3.38Å; F510-F536 HydrophobicContact CD1-CD2 3.38Å; F510-F536 HydrophobicContact CD1-CE1 4.44Å; F510-F536 AromaticContact CD1-CE2 3.4Å; F510-F536 HydrophobicContact CD1-CE2 3.4Å; F510-F536 VanDerWaalsContact CD1-CE2 3.4Å; F510-F536 AromaticContact CD1-CG 3.93Å; F510-F536 HydrophobicContact CD1-CG 3.93Å; F510-F536 AromaticContact CD1-CZ 3.96Å; F510-F536 HydrophobicContact CD1-CZ 3.96Å; F510-F536 AromaticContact CE1-CD2 3.51Å; F510-F536 HydrophobicContact CE1-CD2 3.51Å; F510-F536 AromaticContact CE1-CE2 3.86Å; F510-F536 HydrophobicContact CE1-CE2 3.86Å; F510-F536 HydrophobicContact CE1-CG 4.21Å; F510-F536 HydrophobicContact CG-CE2 4.24Å; Q513-F536 HydrophobicContact CB-CD1 4.17Å; Q513-F536 VanDerWaalsContact OE1-CB 3.25Å; V514-F536 HydrophobicContact CG2-CE1 3.7Å; V514-F536 HydrophobicContact CG2-CZ 4.08Å; S533-F536 PolarHBondContact O-N 3.16Å; S533-F536 VanDerWaalsContact O-N 3.14Å; W534-F536 VanDerWaalsContact C-N 3.27Å; W534-F536 PolarHBondContact O-N 2.88Å; F536-E538 VanDerWaalsContact C-N 3.31Å; F536-E538 PolarHBondContact O-N 3.44Å; F536-L539 PolarHBondContact O-N 2.93Å; F536-A540 VanDerWaalsContact O-CB 3.31Å; F536-A540 WeakPolarHBondContact O-CB 3.24Å; F536-A540 PolarHBondContact O-N 3.13Å; F536-L559 HydrophobicContact CD1-CD2 4.35Å; F536-L559 HydrophobicContact CE1-CB 4.28Å; F536-L559 HydrophobicContact CE1-CD1 4.13Å; F536-L559 HydrophobicContact CE1-CD2 3.77Å; F536-L559 HydrophobicContact CE1-CG 4.27Å; F536-L559 HydrophobicContact CZ-CB 4.22Å; F536-L559 HydrophobicContact CZ-CD2 3.86Å; F536-F562 AromaticContact CE2-CD1 3.95Å; F536-F562 HydrophobicContact CE2-CD1 3.95Å; F536-F562 HydrophobicContact CE2-CE1 4.04Å
537	L	94.6	Very high	92.7	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-61.7	-40.5	175.9	-66.1	178.6	0	0	0	111.8	I517 M530 S533 W534 A540 G541 C542 N543 L555 L559	I517-L537 HydrophobicContact CD1-CD2 4.24Å; M530-L537 HydrophobicContact CB-CD1 3.69Å; M530-L537 HydrophobicContact CE-CD1 3.91Å; M530-L537 HydrophobicContact CG-CD1 3.93Å; M530-L537 WeakPolarHBondContact O-CD1 3.32Å; S533-L537 PolarHBondContact O-N 2.93Å; S533-L537 VanDerWaalsContact O-N 3.1Å; W534-L537 PolarHBondContact O-N 3.44Å; L537-A540 PolarHBondContact O-N 3Å; L537-G541 PolarHBondContact O-N 2.95Å; L537-G541 VanDerWaalsContact O-N 3.16Å; L537-C542 HydrophobicContact CD2-CB 4.23Å; L537-C542 CarbonylContact O-C 3.59Å; L537-C542 PolarHBondContact O-N 3.49Å; L537-N543 HydrophobicContact CB-CB 4.17Å; L537-N543 PolarHBondContact O-N 2.82Å; L537-L555 HydrophobicContact CD2-CD1 4.11Å; L537-L559 HydrophobicContact CD2-CD1 3.83Å; L537-L559 HydrophobicContact CD2-CD2 3.82Å; L537-L559 HydrophobicContact CD2-CG 4.36Å
538	E	94.8	Very high	92.6	Very high	108 Å²	108	68.2 Å²	68.2	51%	0.505	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-48.6	176.8	-170.5	122	171.7	0	0	110.9	W534 F536 A540 G541 N543	W534-E538 HydrophobicContact CE3-CB 4.26Å; W534-E538 HydrophobicContact CZ3-CB 4.27Å; W534-E538 HydrophobicContact CZ3-CG 4.38Å; W534-E538 WeakPolarHBondContact CZ3-OE2 3.36Å; W534-E538 WeakPolarHBondContact O-CB 3.17Å; W534-E538 PolarHBondContact O-N 3.03Å; F536-E538 VanDerWaalsContact C-N 3.31Å; F536-E538 PolarHBondContact O-N 3.44Å; E538-A540 VanDerWaalsContact C-N 3.28Å; E538-A540 PolarHBondContact O-N 3.03Å; E538-G541 PolarHBondContact O-N 2.91Å; E538-N543 HydrophobicContact CB-CB 4.47Å; E538-N543 PolarHBondContact OE2-ND2 3.47Å
539	L	93.4	Very high	92.5	Very high	115 Å²	115	65 Å²	65	60%	0.602	36%	0.361	S	S	*	.	H	α-helix	trans	-60.2	-38.3	177.3	-177.6	65.8	0	0	0	112.4	E535 F536 G541 F562	E535-L539 WeakPolarHBondContact O-CB 3.4Å; E535-L539 PolarHBondContact O-N 3.21Å; F536-L539 PolarHBondContact O-N 2.93Å; L539-G541 VanDerWaalsContact C-N 3.25Å; L539-G541 PolarHBondContact O-N 3.3Å; L539-F562 HydrophobicContact CD2-CZ 4.36Å; L539-F562 HydrophobicContact CG-CE1 4.39Å; L539-F562 HydrophobicContact CG-CZ 3.94Å
540	A	92.3	Very high	92.2	Very high	16 Å²	16	70.3 Å²	70.3	13%	0.132	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.1	178.3	0	0	0	0	0	113.8	F536 L537 E538 C542 L559 F562	F536-A540 VanDerWaalsContact O-CB 3.31Å; F536-A540 WeakPolarHBondContact O-CB 3.24Å; F536-A540 PolarHBondContact O-N 3.13Å; L537-A540 PolarHBondContact O-N 3Å; E538-A540 VanDerWaalsContact C-N 3.28Å; E538-A540 PolarHBondContact O-N 3.03Å; A540-C542 HydrophobicContact CB-CB 4.3Å; A540-C542 PolarHBondContact O-N 3.25Å; A540-C542 PolarHBondContact O-SG 3.22Å; A540-L559 HydrophobicContact CB-CD2 3.67Å; A540-F562 HydrophobicContact CB-CB 4.14Å; A540-F562 HydrophobicContact CB-CD1 3.48Å; A540-F562 VanDerWaalsContact CB-CD1 3.48Å; A540-F562 HydrophobicContact CB-CD2 4.13Å; A540-F562 HydrophobicContact CB-CE1 3.88Å; A540-F562 HydrophobicContact CB-CE2 4.48Å; A540-F562 HydrophobicContact CB-CG 3.63Å; A540-F562 HydrophobicContact CB-CZ 4.37Å
541	G	92.2	Very high	92	Very high	71 Å²	71	71.7 Å²	71.7	73%	0.732	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	19.3	-173.2	0	0	0	0	0	113.8	L537 E538 L539	L537-G541 PolarHBondContact O-N 2.95Å; L537-G541 VanDerWaalsContact O-N 3.16Å; E538-G541 PolarHBondContact O-N 2.91Å; L539-G541 VanDerWaalsContact C-N 3.25Å; L539-G541 PolarHBondContact O-N 3.3Å
542	C	92.2	Very high	92	Very high	8 Å²	8	67.7 Å²	67.7	5%	0.054	38%	0.376	C	S	.	.			trans	-107.1	9.4	-175.6	-63.5	0	0	0	0	113.1	L537 A540 R544 L555 L559	L537-C542 HydrophobicContact CD2-CB 4.23Å; L537-C542 CarbonylContact O-C 3.59Å; L537-C542 PolarHBondContact O-N 3.49Å; A540-C542 HydrophobicContact CB-CB 4.3Å; A540-C542 PolarHBondContact O-N 3.25Å; A540-C542 PolarHBondContact O-SG 3.22Å; C542-R544 PolarHBondContact O-N 3.46Å; C542-L555 HydrophobicContact CB-CD1 3.79Å; C542-L559 HydrophobicContact CB-CD2 4Å
543	N	89.3	Confident	91.9	Very high	87 Å²	87	69.9 Å²	69.9	47%	0.465	37%	0.372	S	S	.	.			trans	-73.9	67.2	177.6	-166.3	12.2	0	0	0	111.3	L537 E538	L537-N543 HydrophobicContact CB-CB 4.17Å; L537-N543 PolarHBondContact O-N 2.82Å; E538-N543 HydrophobicContact CB-CB 4.47Å; E538-N543 PolarHBondContact OE2-ND2 3.47Å
544	R	87.7	Confident	91.8	Very high	90 Å²	90	72.7 Å²	72.7	34%	0.34	39%	0.389	S	S	.	.			trans	-110.5	145	179	64.7	-176.6	-178.9	-136.4	-2.9	110.8	M530 C542 V546 D558	M530-R544 WeakPolarHBondContact CE-O 3.48Å; C542-R544 PolarHBondContact O-N 3.46Å; R544-V546 PolarHBondContact O-N 2.85Å; R544-D558 IonicContact CZ-OD2 3.07Å; R544-D558 VanDerWaalsContact CZ-OD2 3.3Å; R544-D558 IonicContact NH1-OD2 2.87Å; R544-D558 PolarHBondContact NH1-OD2 2.58Å; R544-D558 IonicContact NH2-OD2 3.8Å; R544-D558 PolarHBondContact NH2-OD2 3.37Å
545	P	87.4	Confident	91.9	Very high	118 Å²	118	66.6 Å²	66.6	77%	0.766	37%	0.366	S	S	*	.			trans	-68	128.8	174.4	28.3	-33	0	0	0	110.1
546	V	89.1	Confident	92	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	34%	0.341	C	S	.	.			trans	-97.4	131.9	177.7	173	0	0	0	0	110.6	L523 L526 K527 M530 R544 S548 E551	L523-V546 HydrophobicContact CD1-CG1 3.98Å; L526-V546 HydrophobicContact CD2-CG1 3.82Å; K527-V546 VanDerWaalsContact CE-O 3.27Å; K527-V546 WeakPolarHBondContact CE-O 3.4Å; M530-V546 HydrophobicContact CE-CG2 3.7Å; M530-V546 HydrophobicContact SD-CB 4.13Å; M530-V546 HydrophobicContact SD-CG2 3.61Å; R544-V546 PolarHBondContact O-N 2.85Å; V546-S548 WeakPolarHBondContact CG1-O 3.48Å; V546-E551 HydrophobicContact CG1-CB 3.97Å
547	T	90.8	Very high	92	Very high	111 Å²	111	65.5 Å²	65.5	68%	0.681	36%	0.362	S	S	*	.			trans	-110.4	-26.9	-175.8	62.3	0	0	0	0	113.8	L523 E551	L523-T547 WeakPolarHBondContact CD2-O 3.32Å; T547-E551 PolarHBondContact N-OE1 2.91Å; T547-E551 PolarHBondContact OG1-OE1 3.16Å
548	S	92.8	Very high	91.9	Very high	41 Å²	41	68.4 Å²	68.4	29%	0.287	38%	0.378	S	S	.	.	S	Bend	trans	-126.4	153.9	173.9	-173	0	0	0	0	112	V546 D550 E551	V546-S548 WeakPolarHBondContact CG1-O 3.48Å; S548-D550 PolarHBondContact O-N 3.38Å; S548-D550 PolarHBondContact OG-N 3.08Å; S548-D550 PolarHBondContact OG-OD2 2.97Å; S548-E551 PolarHBondContact N-OE1 2.92Å; S548-E551 PolarHBondContact O-N 2.94Å
549	L	92.6	Very high	92	Very high	53 Å²	53	63.2 Å²	63.2	28%	0.277	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.5	171.7	-172.8	62.8	0	0	0	112	E521 L526 E551 R552	E521-L549 WeakPolarHBondContact O-CD2 3.31Å; L526-L549 HydrophobicContact CD2-CD1 4.23Å; L549-E551 PolarHBondContact O-N 3.08Å; L549-R552 WeakPolarHBondContact O-CB 3.47Å; L549-R552 PolarHBondContact O-N 3.34Å
550	D	89.9	Confident	92.1	Very high	135 Å²	135	57.8 Å²	57.8	72%	0.722	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.2	178.5	-51.1	-48.3	0	0	0	112.6	S548 R552	S548-D550 PolarHBondContact O-N 3.38Å; S548-D550 PolarHBondContact OG-N 3.08Å; S548-D550 PolarHBondContact OG-OD2 2.97Å; D550-R552 PolarHBondContact O-N 3.05Å
551	E	90.4	Very high	92.1	Very high	46 Å²	46	59.4 Å²	59.4	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-76.2	-6.1	177.4	-58.3	175.1	-126.1	0	0	112.8	V546 T547 S548 L549 T554 L555	V546-E551 HydrophobicContact CG1-CB 3.97Å; T547-E551 PolarHBondContact N-OE1 2.91Å; T547-E551 PolarHBondContact OG1-OE1 3.16Å; S548-E551 PolarHBondContact N-OE1 2.92Å; S548-E551 PolarHBondContact O-N 2.94Å; L549-E551 PolarHBondContact O-N 3.08Å; E551-T554 PolarHBondContact O-OG1 3.33Å; E551-L555 WeakPolarHBondContact O-CB 3.41Å; E551-L555 PolarHBondContact O-N 3.36Å
552	R	93.8	Very high	92.2	Very high	59 Å²	59	57.2 Å²	57.2	22%	0.223	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-45.1	179.8	-178.1	-166.7	65.9	-169.9	-1.8	111.7	I517 A520 L526 L549 D550 L555 V556	I517-R552 WeakPolarHBondContact O-CD 3.44Å; I517-R552 WeakPolarHBondContact O-CG 2.92Å; A520-R552 PolarHBondContact O-NH1 3.2Å; L526-R552 HydrophobicContact CD1-CG 4.28Å; L526-R552 HydrophobicContact CD2-CB 4.08Å; L549-R552 WeakPolarHBondContact O-CB 3.47Å; L549-R552 PolarHBondContact O-N 3.34Å; D550-R552 PolarHBondContact O-N 3.05Å; R552-L555 PolarHBondContact O-N 2.77Å; R552-V556 VanDerWaalsContact O-CG2 3.29Å; R552-V556 WeakPolarHBondContact O-CG2 3.46Å; R552-V556 PolarHBondContact O-N 3.03Å
553	E	91.9	Very high	92.3	Very high	124 Å²	124	57.3 Å²	57.3	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-66.7	-44.5	-175.7	-69.8	-178.7	-179.8	0	0	111	L555 V556 E557	E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 2.79Å; E553-V556 PolarHBondContact O-N 3.44Å; E553-V556 VanDerWaalsContact O-N 3.16Å; E553-E557 WeakPolarHBondContact O-CG 3.23Å; E553-E557 PolarHBondContact O-N 3.02Å
554	T	92.3	Very high	92.5	Very high	63 Å²	63	53.8 Å²	53.8	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-37.4	175.9	59.1	0	0	0	0	112	E551 E557 D558	E551-T554 PolarHBondContact O-OG1 3.33Å; T554-E557 PolarHBondContact O-N 3.37Å; T554-D558 WeakPolarHBondContact O-CB 3.29Å; T554-D558 PolarHBondContact O-N 3.49Å
555	L	94.6	Very high	92.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-42.8	172.9	179	60.9	0	0	0	111.8	I517 M530 L537 C542 E551 R552 E553 D558 L559	I517-L555 HydrophobicContact CG2-CD2 3.91Å; I517-L555 HydrophobicContact CG2-CG 4.33Å; M530-L555 HydrophobicContact CE-CD2 3.96Å; M530-L555 HydrophobicContact CG-CD2 4.11Å; M530-L555 HydrophobicContact SD-CD2 3.88Å; L537-L555 HydrophobicContact CD2-CD1 4.11Å; C542-L555 HydrophobicContact CB-CD1 3.79Å; E551-L555 WeakPolarHBondContact O-CB 3.41Å; E551-L555 PolarHBondContact O-N 3.36Å; R552-L555 PolarHBondContact O-N 2.77Å; E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 2.79Å; L555-D558 PolarHBondContact O-N 3.04Å; L555-L559 HydrophobicContact CD1-CD1 4.13Å; L555-L559 HydrophobicContact CD1-CG 4.24Å; L555-L559 HydrophobicContact CG-CD1 4.07Å; L555-L559 WeakPolarHBondContact O-CG 3.37Å; L555-L559 PolarHBondContact O-N 3.2Å
556	V	95.7	Very high	92.5	Very high	18 Å²	18	51.4 Å²	51.4	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-45	176.5	168.1	0	0	0	0	110.6	V514 I517 A518 R552 E553 L559 V560	V514-V556 HydrophobicContact CG1-CG1 3.91Å; V514-V556 HydrophobicContact CG1-CG2 4.45Å; I517-V556 HydrophobicContact CG2-CG2 3.99Å; A518-V556 HydrophobicContact CB-CG1 4.49Å; A518-V556 HydrophobicContact CB-CG2 3.79Å; R552-V556 VanDerWaalsContact O-CG2 3.29Å; R552-V556 WeakPolarHBondContact O-CG2 3.46Å; R552-V556 PolarHBondContact O-N 3.03Å; E553-V556 PolarHBondContact O-N 3.44Å; E553-V556 VanDerWaalsContact O-N 3.16Å; V556-L559 PolarHBondContact O-N 2.82Å; V556-V560 HydrophobicContact CG1-CG2 4.28Å; V556-V560 VanDerWaalsContact O-CG2 3.23Å; V556-V560 WeakPolarHBondContact O-CG2 3.37Å; V556-V560 PolarHBondContact O-N 2.96Å
557	E	93.6	Very high	92.6	Very high	103 Å²	103	54.2 Å²	54.2	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-46.7	175.6	-72.5	178.5	173.9	0	0	112.2	E553 T554 L559 V560 S561	E553-E557 WeakPolarHBondContact O-CG 3.23Å; E553-E557 PolarHBondContact O-N 3.02Å; T554-E557 PolarHBondContact O-N 3.37Å; E557-L559 VanDerWaalsContact C-N 3.3Å; E557-L559 PolarHBondContact O-N 3.34Å; E557-V560 PolarHBondContact O-N 3.19Å; E557-S561 VanDerWaalsContact O-CB 3.28Å; E557-S561 WeakPolarHBondContact O-CB 3.39Å; E557-S561 PolarHBondContact O-N 3.22Å
558	D	93.7	Very high	92.7	Very high	62 Å²	62	49.3 Å²	49.3	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-43.3	177.2	-73.2	-25.6	0	0	0	110.9	R544 T554 L555 F562	R544-D558 IonicContact CZ-OD2 3.07Å; R544-D558 VanDerWaalsContact CZ-OD2 3.3Å; R544-D558 IonicContact NH1-OD2 2.87Å; R544-D558 PolarHBondContact NH1-OD2 2.58Å; R544-D558 IonicContact NH2-OD2 3.8Å; R544-D558 PolarHBondContact NH2-OD2 3.37Å; T554-D558 WeakPolarHBondContact O-CB 3.29Å; T554-D558 PolarHBondContact O-N 3.49Å; L555-D558 PolarHBondContact O-N 3.04Å; D558-F562 WeakPolarHBondContact O-CB 3.49Å; D558-F562 PolarHBondContact O-N 2.88Å
559	L	95.8	Very high	92.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-72.8	-37.5	-179.8	-65.8	171.8	0	0	0	113.3	V514 I517 F536 L537 A540 C542 L555 V556 E557 T563	V514-L559 HydrophobicContact CG2-CB 3.84Å; V514-L559 HydrophobicContact CG2-CD1 4.3Å; I517-L559 HydrophobicContact CD1-CD1 3.59Å; F536-L559 HydrophobicContact CD1-CD2 4.35Å; F536-L559 HydrophobicContact CE1-CB 4.28Å; F536-L559 HydrophobicContact CE1-CD1 4.13Å; F536-L559 HydrophobicContact CE1-CD2 3.77Å; F536-L559 HydrophobicContact CE1-CG 4.27Å; F536-L559 HydrophobicContact CZ-CB 4.22Å; F536-L559 HydrophobicContact CZ-CD2 3.86Å; L537-L559 HydrophobicContact CD2-CD1 3.83Å; L537-L559 HydrophobicContact CD2-CD2 3.82Å; L537-L559 HydrophobicContact CD2-CG 4.36Å; A540-L559 HydrophobicContact CB-CD2 3.67Å; C542-L559 HydrophobicContact CB-CD2 4Å; L555-L559 HydrophobicContact CD1-CD1 4.13Å; L555-L559 HydrophobicContact CD1-CG 4.24Å; L555-L559 HydrophobicContact CG-CD1 4.07Å; L555-L559 WeakPolarHBondContact O-CG 3.37Å; L555-L559 PolarHBondContact O-N 3.2Å; V556-L559 PolarHBondContact O-N 2.82Å; E557-L559 VanDerWaalsContact C-N 3.3Å; E557-L559 PolarHBondContact O-N 3.34Å; L559-T563 WeakPolarHBondContact O-CB 3.36Å; L559-T563 PolarHBondContact O-N 3.46Å; L559-T563 PolarHBondContact O-OG1 3.45Å
560	V	96.1	Very high	92.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-48.4	172.8	171.8	0	0	0	0	109.5	L499 M504 V514 V556 E557 F562 T563 M564	L499-V560 HydrophobicContact CB-CG1 3.67Å; M504-V560 HydrophobicContact CG-CG1 4.33Å; M504-V560 HydrophobicContact CG-CG2 4.32Å; M504-V560 HydrophobicContact SD-CB 4.42Å; M504-V560 HydrophobicContact SD-CG2 3.72Å; V514-V560 HydrophobicContact CG1-CG2 4.24Å; V556-V560 HydrophobicContact CG1-CG2 4.28Å; V556-V560 VanDerWaalsContact O-CG2 3.23Å; V556-V560 WeakPolarHBondContact O-CG2 3.37Å; V556-V560 PolarHBondContact O-N 2.96Å; E557-V560 PolarHBondContact O-N 3.19Å; V560-F562 PolarHBondContact O-N 3.13Å; V560-T563 PolarHBondContact O-N 3.23Å; V560-M564 WeakPolarHBondContact O-CB 3.27Å; V560-M564 PolarHBondContact O-N 3.31Å
561	S	92.3	Very high	92.3	Very high	50 Å²	50	49 Å²	49	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-46.4	177.9	-176.1	0	0	0	0	111.5	E557 T563 I565 T566	E557-S561 VanDerWaalsContact O-CB 3.28Å; E557-S561 WeakPolarHBondContact O-CB 3.39Å; E557-S561 PolarHBondContact O-N 3.22Å; S561-T563 VanDerWaalsContact C-N 3.34Å; S561-T563 PolarHBondContact O-N 2.87Å; S561-I565 WeakPolarHBondContact O-CA 3.32Å; S561-I565 VanDerWaalsContact O-CB 3.24Å; S561-I565 WeakPolarHBondContact O-CB 3.42Å; S561-I565 PolarHBondContact O-N 2.8Å; S561-T566 PolarHBondContact O-N 3.26Å
562	F	94.7	Very high	92.5	Very high	26 Å²	26	47.3 Å²	47.3	11%	0.114	24%	0.239	C	C	.	.	I	π-helix	trans	-58.6	-45.5	175.1	172.8	-101.3	0	0	0	112.3	F536 L539 A540 D558 V560 T566 R567	F536-F562 AromaticContact CE2-CD1 3.95Å; F536-F562 HydrophobicContact CE2-CD1 3.95Å; F536-F562 HydrophobicContact CE2-CE1 4.04Å; L539-F562 HydrophobicContact CD2-CZ 4.36Å; L539-F562 HydrophobicContact CG-CE1 4.39Å; L539-F562 HydrophobicContact CG-CZ 3.94Å; A540-F562 HydrophobicContact CB-CB 4.14Å; A540-F562 HydrophobicContact CB-CD1 3.48Å; A540-F562 VanDerWaalsContact CB-CD1 3.48Å; A540-F562 HydrophobicContact CB-CD2 4.13Å; A540-F562 HydrophobicContact CB-CE1 3.88Å; A540-F562 HydrophobicContact CB-CE2 4.48Å; A540-F562 HydrophobicContact CB-CG 3.63Å; A540-F562 HydrophobicContact CB-CZ 4.37Å; D558-F562 WeakPolarHBondContact O-CB 3.49Å; D558-F562 PolarHBondContact O-N 2.88Å; V560-F562 PolarHBondContact O-N 3.13Å; F562-T566 HydrophobicContact CD2-CG2 4.05Å; F562-T566 HydrophobicContact CE2-CG2 4.37Å; F562-T566 PolarHBondContact O-N 2.96Å; F562-R567 HydrophobicContact CE2-CB 4.48Å; F562-R567 HydrophobicContact CZ-CB 4.22Å; F562-R567 PolarHBondContact O-N 2.91Å
563	T	93.8	Very high	92.2	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	25%	0.247	C	C	.	.	I	π-helix	trans	-73.2	-38.4	-173.8	-53.6	0	0	0	0	112.9	M504 F510 L559 V560 S561 R567 M568	M504-T563 HydrophobicContact CE-CG2 3.6Å; F510-T563 HydrophobicContact CB-CG2 4.14Å; L559-T563 WeakPolarHBondContact O-CB 3.36Å; L559-T563 PolarHBondContact O-N 3.46Å; L559-T563 PolarHBondContact O-OG1 3.45Å; V560-T563 PolarHBondContact O-N 3.23Å; S561-T563 VanDerWaalsContact C-N 3.34Å; S561-T563 PolarHBondContact O-N 2.87Å; T563-R567 VanDerWaalsContact O-CD 3.3Å; T563-R567 WeakPolarHBondContact O-CD 3.38Å; T563-R567 VanDerWaalsContact O-CG 3.22Å; T563-R567 WeakPolarHBondContact O-CG 3.36Å; T563-M568 WeakPolarHBondContact O-CG 3.42Å
564	M	93.8	Very high	92.4	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.064	23%	0.23	C	C	.	.	I	π-helix	trans	-93.8	-26.7	-175.7	-70.8	-58.8	-45.8	0	0	113.7	N448 L499 M504 V560 M568	N448-M564 HydrophobicContact CB-CE 4.47Å; L499-M564 HydrophobicContact CD1-CB 3.81Å; L499-M564 HydrophobicContact CD1-CG 4.5Å; M504-M564 HydrophobicContact CG-CG 4.29Å; V560-M564 WeakPolarHBondContact O-CB 3.27Å; V560-M564 PolarHBondContact O-N 3.31Å; M564-M568 WeakPolarHBondContact O-CB 3.45Å
565	I	87.7	Confident	92.5	Very high	78 Å²	78	42.2 Å²	42.2	40%	0.4	21%	0.211	S	C	.	.	I	π-helix	trans	-115.3	-66.6	-173.9	-52.5	177.5	0	0	0	110.4	L499 S561 R567 M568 Q569	L499-I565 HydrophobicContact CD1-CD1 3.76Å; L499-I565 HydrophobicContact CD1-CG1 3.78Å; S561-I565 WeakPolarHBondContact O-CA 3.32Å; S561-I565 VanDerWaalsContact O-CB 3.24Å; S561-I565 WeakPolarHBondContact O-CB 3.42Å; S561-I565 PolarHBondContact O-N 2.8Å; I565-R567 PolarHBondContact O-N 2.89Å; I565-M568 CarbonylContact O-C 3.48Å; I565-M568 PolarHBondContact O-N 2.61Å; I565-M568 VanDerWaalsContact O-N 3.08Å; I565-Q569 PolarHBondContact O-N 3.33Å
566	T	87.2	Confident	92.4	Very high	80 Å²	80	46.5 Å²	46.5	49%	0.491	23%	0.227	S	C	.	.	I	π-helix	trans	-61.2	-49.6	-168.9	-53.4	0	0	0	0	112.3	S561 F562 M568	S561-T566 PolarHBondContact O-N 3.26Å; F562-T566 HydrophobicContact CD2-CG2 4.05Å; F562-T566 HydrophobicContact CE2-CG2 4.37Å; F562-T566 PolarHBondContact O-N 2.96Å; T566-M568 PolarHBondContact O-N 3.19Å
567	R	91.8	Very high	91.9	Very high	67 Å²	67	48.7 Å²	48.7	25%	0.253	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.5	178.3	85	-176.2	-71.9	-128.1	3.1	113	F562 T563 I565	F562-R567 HydrophobicContact CE2-CB 4.48Å; F562-R567 HydrophobicContact CZ-CB 4.22Å; F562-R567 PolarHBondContact O-N 2.91Å; T563-R567 VanDerWaalsContact O-CD 3.3Å; T563-R567 WeakPolarHBondContact O-CD 3.38Å; T563-R567 VanDerWaalsContact O-CG 3.22Å; T563-R567 WeakPolarHBondContact O-CG 3.36Å; I565-R567 PolarHBondContact O-N 2.89Å
568	M	93.2	Very high	91.7	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.044	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.2	-175.6	-63.3	-60.1	167.6	0	0	113.1	L451 T563 M564 I565 T566 L570 P571 L572	L451-M568 HydrophobicContact CB-CE 3.59Å; L451-M568 HydrophobicContact CB-SD 3.84Å; L451-M568 HydrophobicContact CD1-SD 4.34Å; T563-M568 WeakPolarHBondContact O-CG 3.42Å; M564-M568 WeakPolarHBondContact O-CB 3.45Å; I565-M568 CarbonylContact O-C 3.48Å; I565-M568 PolarHBondContact O-N 2.61Å; I565-M568 VanDerWaalsContact O-N 3.08Å; T566-M568 PolarHBondContact O-N 3.19Å; M568-L570 VanDerWaalsContact C-N 3.34Å; M568-L570 PolarHBondContact O-N 2.85Å; M568-P571 VanDerWaalsContact O-CD 3.29Å; M568-P571 WeakPolarHBondContact O-CD 3.43Å; M568-L572 HydrophobicContact CB-CD1 3.79Å; M568-L572 HydrophobicContact CB-CG 4.09Å; M568-L572 VanDerWaalsContact O-CB 3.32Å; M568-L572 WeakPolarHBondContact O-CB 3.13Å; M568-L572 VanDerWaalsContact O-CG 3.31Å; M568-L572 WeakPolarHBondContact O-CG 3.39Å; M568-L572 PolarHBondContact O-N 3.07Å
569	Q	86.6	Confident	91.7	Very high	133 Å²	133	40.9 Å²	40.9	62%	0.621	20%	0.198	S	C	*	.	H	α-helix	trans	-52.7	-49.3	-173.7	-176	-179.8	6.9	0	0	112.6	I565 Q573	I565-Q569 PolarHBondContact O-N 3.33Å; Q569-Q573 VanDerWaalsContact O-CB 3.24Å; Q569-Q573 WeakPolarHBondContact O-CB 3.44Å; Q569-Q573 PolarHBondContact O-N 3.49Å
570	L	85	Confident	91.3	Very high	88 Å²	88	44.5 Å²	44.5	46%	0.461	22%	0.215	S	C	.	.	H	α-helix	trans	-70.9	-49	-178.1	-177.3	64.7	0	0	0	112.8	L456 M568 L572 Q573 R574	L456-L570 HydrophobicContact CD1-CD2 4.39Å; L456-L570 HydrophobicContact CD2-CB 4.32Å; L456-L570 HydrophobicContact CD2-CD2 3.74Å; L456-L570 HydrophobicContact CD2-CG 3.73Å; M568-L570 VanDerWaalsContact C-N 3.34Å; M568-L570 PolarHBondContact O-N 2.85Å; L570-L572 PolarHBondContact O-N 3.46Å; L570-Q573 PolarHBondContact O-N 3.23Å; L570-R574 HydrophobicContact CD1-CG 4.03Å; L570-R574 HydrophobicContact CG-CG 4.42Å; L570-R574 WeakPolarHBondContact O-CG 3.38Å; L570-R574 PolarHBondContact O-N 3.4Å
571	P	95	Very high	91	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-52.4	-47.9	171.3	-30.2	35.1	0	0	0	114.2	L449 L451 L456 Y461 M568 R574 L575	L449-P571 HydrophobicContact CD1-CB 4.26Å; L451-P571 HydrophobicContact CD1-CG 3.57Å; L456-P571 HydrophobicContact CD1-CG 4.44Å; L456-P571 HydrophobicContact CD2-CG 4Å; L456-P571 HydrophobicContact CG-CG 4.44Å; Y461-P571 HydrophobicContact CD1-CB 3.84Å; Y461-P571 HydrophobicContact CD2-CB 4.47Å; Y461-P571 HydrophobicContact CE1-CB 3.67Å; Y461-P571 HydrophobicContact CE1-CG 4.37Å; Y461-P571 HydrophobicContact CE2-CB 4.32Å; Y461-P571 HydrophobicContact CE2-CG 4.37Å; Y461-P571 HydrophobicContact CG-CB 4.24Å; M568-P571 VanDerWaalsContact O-CD 3.29Å; M568-P571 WeakPolarHBondContact O-CD 3.43Å; P571-R574 PolarHBondContact O-N 3.43Å; P571-L575 WeakPolarHBondContact O-CB 3.28Å; P571-L575 PolarHBondContact O-N 3.36Å
572	L	93.7	Very high	90.7	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-47.4	178.4	-74.2	167.2	0	0	0	110.7	L449 L486 C489 L490 M568 L570 L575 R576	L449-L572 HydrophobicContact CD1-CD2 3.74Å; L449-L572 HydrophobicContact CD1-CG 4.17Å; L486-L572 HydrophobicContact CD1-CD2 3.87Å; C489-L572 HydrophobicContact CB-CD1 4.17Å; C489-L572 HydrophobicContact CB-CD2 3.93Å; L490-L572 HydrophobicContact CD2-CD2 3.73Å; L490-L572 HydrophobicContact CG-CD2 4.15Å; M568-L572 HydrophobicContact CB-CD1 3.79Å; M568-L572 HydrophobicContact CB-CG 4.09Å; M568-L572 VanDerWaalsContact O-CB 3.32Å; M568-L572 WeakPolarHBondContact O-CB 3.13Å; M568-L572 VanDerWaalsContact O-CG 3.31Å; M568-L572 WeakPolarHBondContact O-CG 3.39Å; M568-L572 PolarHBondContact O-N 3.07Å; L570-L572 PolarHBondContact O-N 3.46Å; L572-L575 PolarHBondContact O-N 3.4Å; L572-R576 VanDerWaalsContact O-CG 3.27Å; L572-R576 WeakPolarHBondContact O-CG 3.21Å; L572-R576 PolarHBondContact O-N 2.96Å
573	Q	88	Confident	90.1	Very high	84 Å²	84	44 Å²	44	39%	0.393	21%	0.214	S	C	.	.	H	α-helix	trans	-58.7	-50.1	178.6	179.1	-179.2	-7.5	0	0	111.6	Q569 L570 L575 R576 E577	Q569-Q573 VanDerWaalsContact O-CB 3.24Å; Q569-Q573 WeakPolarHBondContact O-CB 3.44Å; Q569-Q573 PolarHBondContact O-N 3.49Å; L570-Q573 PolarHBondContact O-N 3.23Å; Q573-L575 VanDerWaalsContact C-N 3.34Å; Q573-L575 PolarHBondContact O-N 3.43Å; Q573-R576 PolarHBondContact O-N 3.09Å; Q573-E577 VanDerWaalsContact CG-OE1 3.3Å; Q573-E577 WeakPolarHBondContact CG-OE1 3.34Å; Q573-E577 PolarHBondContact NE2-OE1 3.34Å; Q573-E577 WeakPolarHBondContact O-CG 3.43Å; Q573-E577 PolarHBondContact O-N 3.06Å
574	R	95.1	Very high	89.8	Confident	55 Å²	55	43.6 Å²	43.6	21%	0.208	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-39.5	-178.3	-66.8	-55.6	-61.6	159.5	2.8	111.9	D459 F462 L570 P571 E577 G578	D459-R574 IonicContact OD1-CZ 2.88Å; D459-R574 IonicContact OD1-NE 2.85Å; D459-R574 PolarHBondContact OD1-NE 3.49Å; D459-R574 IonicContact OD1-NH2 2.65Å; D459-R574 PolarHBondContact OD1-NH2 3.48Å; D459-R574 IonicContact OD2-CZ 3.8Å; D459-R574 IonicContact OD2-NE 2.55Å; D459-R574 IonicContact OD2-NH2 2.88Å; D459-R574 PolarHBondContact OD2-NH2 3.4Å; F462-R574 VanDerWaalsContact CA-O 3.31Å; F462-R574 WeakPolarHBondContact CA-O 3.37Å; F462-R574 HydrophobicContact CB-CB 4.37Å; L570-R574 HydrophobicContact CD1-CG 4.03Å; L570-R574 HydrophobicContact CG-CG 4.42Å; L570-R574 WeakPolarHBondContact O-CG 3.38Å; L570-R574 PolarHBondContact O-N 3.4Å; P571-R574 PolarHBondContact O-N 3.43Å; R574-E577 IonicContact CZ-OE2 2.78Å; R574-E577 IonicContact NE-OE2 3.4Å; R574-E577 IonicContact NH1-OE2 3.51Å; R574-E577 PolarHBondContact NH1-OE2 3.43Å; R574-E577 PolarHBondContact O-N 2.86Å; R574-G578 PolarHBondContact O-N 2.85Å
575	L	96.1	Very high	89.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-43.4	174.9	-172.9	71.8	0	0	0	112.3	L449 Y461 I464 L468 F482 L490 P571 L572 Q573 G578 L579	L449-L575 HydrophobicContact CD1-CD2 3.96Å; L449-L575 HydrophobicContact CD2-CD2 3.92Å; L449-L575 HydrophobicContact CG-CD2 4.38Å; Y461-L575 WeakPolarHBondContact O-CA 3.48Å; Y461-L575 WeakPolarHBondContact O-CD1 3.31Å; I464-L575 HydrophobicContact CG2-CD1 4.17Å; L468-L575 HydrophobicContact CD1-CD1 4.37Å; F482-L575 HydrophobicContact CZ-CD2 4.45Å; L490-L575 HydrophobicContact CD1-CD2 3.98Å; L490-L575 HydrophobicContact CD2-CD2 4.11Å; P571-L575 WeakPolarHBondContact O-CB 3.28Å; P571-L575 PolarHBondContact O-N 3.36Å; L572-L575 PolarHBondContact O-N 3.4Å; Q573-L575 VanDerWaalsContact C-N 3.34Å; Q573-L575 PolarHBondContact O-N 3.43Å; L575-G578 PolarHBondContact O-N 3.07Å; L575-L579 HydrophobicContact CG-CD1 4.3Å; L575-L579 WeakPolarHBondContact O-CG 3.41Å; L575-L579 PolarHBondContact O-N 3.01Å
576	R	91.2	Very high	89.2	Confident	90 Å²	90	43.1 Å²	43.1	34%	0.34	21%	0.21	S	C	.	.	H	α-helix	trans	-59.9	-46.1	175.2	-69.3	-180	-174.3	163.6	2.9	111.6	C489 L490 L572 Q573 G578 L579 H580 F585	C489-R576 PolarHBondContact O-NH2 3.37Å; L490-R576 HydrophobicContact CD2-CG 3.63Å; L490-R576 PolarHBondContact O-NE 3.37Å; L572-R576 VanDerWaalsContact O-CG 3.27Å; L572-R576 WeakPolarHBondContact O-CG 3.21Å; L572-R576 PolarHBondContact O-N 2.96Å; Q573-R576 PolarHBondContact O-N 3.09Å; R576-G578 VanDerWaalsContact C-N 3.28Å; R576-G578 PolarHBondContact O-N 2.97Å; R576-L579 PolarHBondContact O-N 3.5Å; R576-L579 VanDerWaalsContact O-N 3.13Å; R576-H580 PolarHBondContact O-CD2 3.17Å; R576-H580 VanDerWaalsContact O-CD2 3.29Å; R576-H580 PolarHBondContact O-N 3.43Å; R576-H580 VanDerWaalsContact O-N 3.08Å; R576-F585 HydrophobicContact CB-CD2 4.19Å; R576-F585 HydrophobicContact CB-CE2 3.81Å; R576-F585 HydrophobicContact CB-CZ 4.12Å; R576-F585 HydrophobicContact CG-CD2 4.29Å; R576-F585 HydrophobicContact CG-CE2 3.51Å; R576-F585 HydrophobicContact CG-CZ 3.89Å
577	E	85.8	Confident	89.1	Confident	65 Å²	65	41.2 Å²	41.2	30%	0.304	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-37.7	177.5	-72.1	169.3	-176.9	0	0	111.7	F462 Q573 R574 H580	F462-E577 HydrophobicContact CD2-CB 3.96Å; F462-E577 HydrophobicContact CE2-CB 4.26Å; Q573-E577 VanDerWaalsContact CG-OE1 3.3Å; Q573-E577 WeakPolarHBondContact CG-OE1 3.34Å; Q573-E577 PolarHBondContact NE2-OE1 3.34Å; Q573-E577 WeakPolarHBondContact O-CG 3.43Å; Q573-E577 PolarHBondContact O-N 3.06Å; R574-E577 IonicContact CZ-OE2 2.78Å; R574-E577 IonicContact NE-OE2 3.4Å; R574-E577 IonicContact NH1-OE2 3.51Å; R574-E577 PolarHBondContact NH1-OE2 3.43Å; R574-E577 PolarHBondContact O-N 2.86Å; E577-H580 PolarHBondContact O-N 3.49Å
578	G	90.2	Very high	88.9	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-44.6	171.7	0	0	0	0	0	112.8	F462 G465 S466 R574 L575 R576 H580 T581	F462-G578 WeakPolarHBondContact O-CA 3.44Å; G465-G578 CarbonylContact C-O 3.58Å; G465-G578 CarbonylContact O-C 3.56Å; S466-G578 WeakPolarHBondContact CA-O 3.4Å; S466-G578 PolarHBondContact N-O 3.46Å; S466-G578 WeakPolarHBondContact OG-CA 3.34Å; R574-G578 PolarHBondContact O-N 2.85Å; L575-G578 PolarHBondContact O-N 3.07Å; R576-G578 VanDerWaalsContact C-N 3.28Å; R576-G578 PolarHBondContact O-N 2.97Å; G578-H580 PolarHBondContact O-N 3.32Å; G578-T581 WeakPolarHBondContact O-CB 3.42Å; G578-T581 PolarHBondContact O-N 3.24Å; G578-T581 PolarHBondContact O-OG1 3.13Å
579	L	93.5	Very high	88.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-17.5	178.7	-75.3	169.3	0	0	0	113.6	L468 F491 L575 R576 T581 V584 F585	L468-L579 HydrophobicContact CB-CD2 3.94Å; F491-L579 HydrophobicContact CZ-CD1 4.3Å; L575-L579 HydrophobicContact CG-CD1 4.3Å; L575-L579 WeakPolarHBondContact O-CG 3.41Å; L575-L579 PolarHBondContact O-N 3.01Å; R576-L579 PolarHBondContact O-N 3.5Å; R576-L579 VanDerWaalsContact O-N 3.13Å; L579-T581 PolarHBondContact O-N 2.63Å; L579-V584 WeakPolarHBondContact O-CB 3.33Å; L579-F585 HydrophobicContact CB-CB 3.98Å; L579-F585 HydrophobicContact CB-CD2 4.11Å; L579-F585 WeakPolarHBondContact O-CB 3.3Å; L579-F585 PolarHBondContact O-N 3.37Å
580	H	87.4	Confident	87.9	Confident	77 Å²	77	42 Å²	42	36%	0.356	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.8	169.9	-85.8	-77.8	0	0	0	113	R576 E577 G578 L582 G583 F585 D586	R576-H580 PolarHBondContact O-CD2 3.17Å; R576-H580 VanDerWaalsContact O-CD2 3.29Å; R576-H580 PolarHBondContact O-N 3.43Å; R576-H580 VanDerWaalsContact O-N 3.08Å; E577-H580 PolarHBondContact O-N 3.49Å; G578-H580 PolarHBondContact O-N 3.32Å; H580-L582 PolarHBondContact O-N 2.96Å; H580-G583 PolarHBondContact O-N 3.06Å; H580-F585 HydrophobicContact CB-CB 4.48Å; H580-F585 AromaticContact CD2-CD1 3.8Å; H580-F585 AromaticContact CE1-CD1 3.32Å; H580-F585 WeakPolarHBondContact CE1-CD1 3.5Å; H580-F585 AromaticContact ND1-CD1 3.93Å; H580-F585 AromaticContact NE2-CD1 3.22Å; H580-F585 WeakPolarHBondContact NE2-CD1 3.49Å; H580-F585 AromaticContact NE2-CE1 3.68Å; H580-F585 AromaticContact NE2-CG 3.94Å; H580-D586 IonicContact CE1-OD1 2.9Å; H580-D586 PolarHBondContact CE1-OD1 2.89Å; H580-D586 IonicContact CE1-OD2 3.65Å; H580-D586 IonicContact ND1-OD1 3.29Å; H580-D586 PolarHBondContact ND1-OD1 2.99Å; H580-D586 IonicContact ND1-OD2 3.93Å; H580-D586 PolarHBondContact ND1-OD2 3.17Å; H580-D586 VanDerWaalsContact ND1-OD2 3.12Å
581	T	88.4	Confident	87.8	Confident	20 Å²	20	41.1 Å²	41.1	12%	0.123	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-51.2	128.5	170.9	-63.7	0	0	0	0	110	P396 S466 A469 L470 G578 L579 G583 V584	P396-T581 HydrophobicContact CB-CG2 3.6Å; P396-T581 HydrophobicContact CG-CG2 4.16Å; S466-T581 PolarHBondContact OG-OG1 3.18Å; A469-T581 HydrophobicContact CB-CG2 4.27Å; A469-T581 WeakPolarHBondContact CB-O 3.41Å; L470-T581 HydrophobicContact CD2-CG2 4.47Å; L470-T581 HydrophobicContact CG-CG2 4.44Å; G578-T581 WeakPolarHBondContact O-CB 3.42Å; G578-T581 PolarHBondContact O-N 3.24Å; G578-T581 PolarHBondContact O-OG1 3.13Å; L579-T581 PolarHBondContact O-N 2.63Å; T581-G583 PolarHBondContact O-N 3.35Å; T581-G583 VanDerWaalsContact O-N 3.1Å; T581-V584 PolarHBondContact O-N 3.01Å
582	L	85.9	Confident	87.3	Confident	27 Å²	27	42.3 Å²	42.3	14%	0.141	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	59.7	12.7	-175.1	-59.5	172.8	0	0	0	115.5	L363 P396 T397 L470 V473 H580 V584	L363-L582 WeakPolarHBondContact CD2-O 3.5Å; P396-L582 HydrophobicContact CB-CD1 4.41Å; P396-L582 HydrophobicContact CB-CD2 3.86Å; P396-L582 HydrophobicContact CB-CG 3.93Å; P396-L582 HydrophobicContact CG-CD2 4.11Å; P396-L582 HydrophobicContact CG-CG 4.48Å; T397-L582 HydrophobicContact CG2-CD2 3.96Å; L470-L582 HydrophobicContact CD2-CD1 3.99Å; V473-L582 HydrophobicContact CB-CD1 3.72Å; V473-L582 HydrophobicContact CG1-CD1 3.64Å; V473-L582 HydrophobicContact CG2-CB 4.2Å; V473-L582 HydrophobicContact CG2-CD1 4.08Å; H580-L582 PolarHBondContact O-N 2.96Å; L582-V584 VanDerWaalsContact C-N 3.31Å; L582-V584 PolarHBondContact O-N 2.85Å
583	G	83.1	Confident	86.9	Confident	18 Å²	18	45.1 Å²	45.1	19%	0.186	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	74.5	16.8	179.8	0	0	0	0	0	114.3	H580 T581 D586 Q587	H580-G583 PolarHBondContact O-N 3.06Å; T581-G583 PolarHBondContact O-N 3.35Å; T581-G583 VanDerWaalsContact O-N 3.1Å; G583-D586 PolarHBondContact O-N 3.01Å; G583-Q587 PolarHBondContact O-N 3.33Å
584	V	87.7	Confident	86.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-50	-179.2	172.5	0	0	0	0	110.7	L360 L363 A469 L472 V473 L579 T581 L582 D586 Q587 V588	L360-V584 HydrophobicContact CD2-CG2 4.41Å; L363-V584 HydrophobicContact CD1-CG2 3.9Å; A469-V584 HydrophobicContact CB-CB 4.14Å; A469-V584 HydrophobicContact CB-CG2 3.91Å; L472-V584 HydrophobicContact CD1-CG1 3.93Å; V473-V584 HydrophobicContact CG2-CG2 3.39Å; L579-V584 WeakPolarHBondContact O-CB 3.33Å; T581-V584 PolarHBondContact O-N 3.01Å; L582-V584 VanDerWaalsContact C-N 3.31Å; L582-V584 PolarHBondContact O-N 2.85Å; V584-D586 VanDerWaalsContact C-N 3.26Å; V584-D586 PolarHBondContact O-N 3.43Å; V584-Q587 PolarHBondContact O-N 2.95Å; V584-Q587 VanDerWaalsContact O-N 3.13Å; V584-V588 HydrophobicContact CG1-CG2 4.15Å; V584-V588 VanDerWaalsContact O-CG2 3.31Å; V584-V588 WeakPolarHBondContact O-CG2 3.46Å; V584-V588 PolarHBondContact O-N 3.19Å
585	F	87.5	Confident	86.6	Confident	10 Å²	10	41 Å²	41	4%	0.044	21%	0.21	C	C	.	.	H	α-helix	trans	-55.4	-41.9	179.2	-173.7	-92.8	0	0	0	112.5	F491 R576 L579 H580 Q587 V588 Q589	F491-F585 HydrophobicContact CD1-CD2 4.11Å; F491-F585 AromaticContact CD1-CE2 3.63Å; F491-F585 HydrophobicContact CD1-CE2 3.63Å; F491-F585 HydrophobicContact CD1-CZ 4.2Å; F491-F585 AromaticContact CE1-CD2 3.33Å; F491-F585 HydrophobicContact CE1-CD2 3.33Å; F491-F585 AromaticContact CE1-CE2 3.28Å; F491-F585 HydrophobicContact CE1-CE2 3.28Å; F491-F585 HydrophobicContact CE1-CG 4.24Å; F491-F585 HydrophobicContact CE1-CZ 4.23Å; F491-F585 HydrophobicContact CZ-CD2 4.12Å; F491-F585 HydrophobicContact CZ-CE2 4.19Å; R576-F585 HydrophobicContact CB-CD2 4.19Å; R576-F585 HydrophobicContact CB-CE2 3.81Å; R576-F585 HydrophobicContact CB-CZ 4.12Å; R576-F585 HydrophobicContact CG-CD2 4.29Å; R576-F585 HydrophobicContact CG-CE2 3.51Å; R576-F585 HydrophobicContact CG-CZ 3.89Å; L579-F585 HydrophobicContact CB-CB 3.98Å; L579-F585 HydrophobicContact CB-CD2 4.11Å; L579-F585 WeakPolarHBondContact O-CB 3.3Å; L579-F585 PolarHBondContact O-N 3.37Å; H580-F585 HydrophobicContact CB-CB 4.48Å; H580-F585 AromaticContact CD2-CD1 3.8Å; H580-F585 AromaticContact CE1-CD1 3.32Å; H580-F585 WeakPolarHBondContact CE1-CD1 3.5Å; H580-F585 AromaticContact ND1-CD1 3.93Å; H580-F585 AromaticContact NE2-CD1 3.22Å; H580-F585 WeakPolarHBondContact NE2-CD1 3.49Å; H580-F585 AromaticContact NE2-CE1 3.68Å; H580-F585 AromaticContact NE2-CG 3.94Å; F585-Q587 PolarHBondContact O-N 3.17Å; F585-V588 PolarHBondContact O-N 3.27Å; F585-Q589 WeakPolarHBondContact O-CB 3.4Å; F585-Q589 PolarHBondContact O-N 3.29Å
586	D	81.9	Confident	86.2	Confident	71 Å²	71	42.9 Å²	42.9	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-41.3	179.5	-58.6	-63.2	0	0	0	111.8	H580 G583 V584 L590	H580-D586 IonicContact CE1-OD1 2.9Å; H580-D586 PolarHBondContact CE1-OD1 2.89Å; H580-D586 IonicContact CE1-OD2 3.65Å; H580-D586 IonicContact ND1-OD1 3.29Å; H580-D586 PolarHBondContact ND1-OD1 2.99Å; H580-D586 IonicContact ND1-OD2 3.93Å; H580-D586 PolarHBondContact ND1-OD2 3.17Å; H580-D586 VanDerWaalsContact ND1-OD2 3.12Å; G583-D586 PolarHBondContact O-N 3.01Å; V584-D586 VanDerWaalsContact C-N 3.26Å; V584-D586 PolarHBondContact O-N 3.43Å; D586-L590 VanDerWaalsContact O-CG 3.26Å; D586-L590 WeakPolarHBondContact O-CG 3.38Å; D586-L590 PolarHBondContact O-N 3.42Å; D586-L590 VanDerWaalsContact O-N 3.07Å
587	Q	84.7	Confident	86	Confident	40 Å²	40	39.8 Å²	39.8	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-42.3	175.9	-64.9	-52.9	-52.5	0	0	112.2	L363 G583 V584 F585 Q589 L590 F591 F595	L363-Q587 HydrophobicContact CD1-CG 4.24Å; L363-Q587 HydrophobicContact CD2-CG 3.87Å; L363-Q587 HydrophobicContact CG-CG 4.45Å; G583-Q587 PolarHBondContact O-N 3.33Å; V584-Q587 PolarHBondContact O-N 2.95Å; V584-Q587 VanDerWaalsContact O-N 3.13Å; F585-Q587 PolarHBondContact O-N 3.17Å; Q587-Q589 VanDerWaalsContact C-N 3.34Å; Q587-L590 PolarHBondContact O-N 3.28Å; Q587-F591 PolarHBondContact O-N 3.35Å; Q587-F595 HydrophobicContact CB-CE2 4.18Å; Q587-F595 HydrophobicContact CB-CZ 4.33Å
588	V	86.2	Confident	86.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-40.4	178.4	-178.9	0	0	0	0	110.4	Y487 F491 V584 F585 L590 F591 P592 F595 F599	Y487-V588 HydrophobicContact CE2-CG1 4.23Å; Y487-V588 WeakPolarHBondContact OH-CG1 3.11Å; F491-V588 HydrophobicContact CD1-CB 4.17Å; F491-V588 HydrophobicContact CD1-CG1 3.61Å; F491-V588 HydrophobicContact CD2-CG1 3.93Å; F491-V588 HydrophobicContact CE1-CB 3.71Å; F491-V588 HydrophobicContact CE1-CG1 3.4Å; F491-V588 VanDerWaalsContact CE1-CG1 3.4Å; F491-V588 HydrophobicContact CE2-CG1 3.76Å; F491-V588 HydrophobicContact CG-CG1 3.86Å; F491-V588 HydrophobicContact CZ-CB 4.07Å; F491-V588 HydrophobicContact CZ-CG1 3.5Å; F491-V588 VanDerWaalsContact CZ-CG1 3.5Å; V584-V588 HydrophobicContact CG1-CG2 4.15Å; V584-V588 VanDerWaalsContact O-CG2 3.31Å; V584-V588 WeakPolarHBondContact O-CG2 3.46Å; V584-V588 PolarHBondContact O-N 3.19Å; F585-V588 PolarHBondContact O-N 3.27Å; V588-L590 VanDerWaalsContact C-N 3.34Å; V588-L590 PolarHBondContact O-N 3.19Å; V588-F591 CarbonylContact O-C 3.23Å; V588-F591 VanDerWaalsContact O-C 3.27Å; V588-F591 PolarHBondContact O-N 3.03Å; V588-P592 WeakPolarHBondContact O-CA 3.36Å; V588-P592 WeakPolarHBondContact O-CB 3.45Å; V588-P592 WeakPolarHBondContact O-CD 3.49Å; V588-F595 HydrophobicContact CB-CB 4.41Å; V588-F595 HydrophobicContact CB-CD2 4.39Å; V588-F595 HydrophobicContact CB-CG 4.36Å; V588-F595 HydrophobicContact CG1-CB 3.9Å; V588-F595 HydrophobicContact CG1-CG 4.37Å; V588-F595 HydrophobicContact CG2-CB 4.08Å; V588-F595 HydrophobicContact CG2-CD1 3.9Å; V588-F595 HydrophobicContact CG2-CD2 4.06Å; V588-F595 HydrophobicContact CG2-CE1 4.34Å; V588-F595 HydrophobicContact CG2-CE2 4.47Å; V588-F595 HydrophobicContact CG2-CG 3.75Å; V588-F599 HydrophobicContact CG1-CE2 4.28Å; V588-F599 HydrophobicContact CG2-CE2 3.71Å; V588-F599 HydrophobicContact CG2-CZ 3.95Å
589	Q	80.8	Confident	86.3	Confident	112 Å²	112	37.3 Å²	37.3	52%	0.523	20%	0.204	S	C	.	.	H	α-helix	trans	-67.8	-32.3	177.3	-174	174.5	-26.3	0	0	112.8	F585 Q587	F585-Q589 WeakPolarHBondContact O-CB 3.4Å; F585-Q589 PolarHBondContact O-N 3.29Å; Q587-Q589 VanDerWaalsContact C-N 3.34Å
590	L	79.1	Confident	86.2	Confident	115 Å²	115	37.6 Å²	37.6	60%	0.602	21%	0.206	S	C	*	.	H	α-helix	trans	-72.2	-35	173.9	-73.4	169.7	0	0	0	112.5	D586 Q587 V588 P592	D586-L590 VanDerWaalsContact O-CG 3.26Å; D586-L590 WeakPolarHBondContact O-CG 3.38Å; D586-L590 PolarHBondContact O-N 3.42Å; D586-L590 VanDerWaalsContact O-N 3.07Å; Q587-L590 PolarHBondContact O-N 3.28Å; V588-L590 VanDerWaalsContact C-N 3.34Å; V588-L590 PolarHBondContact O-N 3.19Å; L590-P592 VanDerWaalsContact C-CD 3.48Å
591	F	82.4	Confident	85.9	Confident	68 Å²	68	37.3 Å²	37.3	30%	0.298	21%	0.207	S	C	.	.	S	Bend	trans	-131.5	56.2	-174.6	-54	-72.2	0	0	0	113.4	P353 L359 Q587 V588 S593 I594 F595	P353-F591 HydrophobicContact CG-CE2 4.5Å; P353-F591 HydrophobicContact CG-CZ 4.39Å; L359-F591 HydrophobicContact CD1-CB 4.43Å; L359-F591 HydrophobicContact CD1-CD2 3.71Å; L359-F591 HydrophobicContact CD1-CE2 4.27Å; L359-F591 HydrophobicContact CD1-CG 4.22Å; L359-F591 HydrophobicContact CD2-CE2 4.32Å; Q587-F591 PolarHBondContact O-N 3.35Å; V588-F591 CarbonylContact O-C 3.23Å; V588-F591 VanDerWaalsContact O-C 3.27Å; V588-F591 PolarHBondContact O-N 3.03Å; F591-S593 VanDerWaalsContact C-N 3.25Å; F591-S593 PolarHBondContact O-N 2.75Å; F591-S593 VanDerWaalsContact O-N 3.17Å; F591-I594 HydrophobicContact CB-CB 4.27Å; F591-I594 HydrophobicContact CB-CD1 4.03Å; F591-I594 HydrophobicContact CB-CG1 4.22Å; F591-I594 HydrophobicContact CD1-CD1 4.26Å; F591-I594 HydrophobicContact CG-CD1 4.34Å; F591-I594 PolarHBondContact O-N 3.45Å; F591-F595 HydrophobicContact CB-CD2 4.37Å; F591-F595 PolarHBondContact O-N 3.18Å
592	P	85.3	Confident	84.5	Confident	26 Å²	26	38.9 Å²	38.9	17%	0.169	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-23.9	-169	26.5	-35.7	0	0	0	113.5	Y487 Y493 V588 L590 F596	Y487-P592 HydrophobicContact CE1-CB 4.42Å; Y487-P592 WeakPolarHBondContact OH-CA 3.29Å; Y487-P592 PolarHBondContact OH-O 2.76Å; Y493-P592 HydrophobicContact CD2-CB 3.97Å; Y493-P592 HydrophobicContact CD2-CG 3.83Å; Y493-P592 HydrophobicContact CG-CB 3.84Å; Y493-P592 HydrophobicContact CG-CG 4.2Å; V588-P592 WeakPolarHBondContact O-CA 3.36Å; V588-P592 WeakPolarHBondContact O-CB 3.45Å; V588-P592 WeakPolarHBondContact O-CD 3.49Å; L590-P592 VanDerWaalsContact C-CD 3.48Å; P592-F596 PolarHBondContact O-N 3.33Å
593	S	84.7	Confident	83.3	Confident	70 Å²	70	47 Å²	47	49%	0.49	25%	0.251	S	S	.	.	H	α-helix	trans	-71.4	-33.4	174.7	60.6	0	0	0	0	113.1	Y493 F591	Y493-S593 VanDerWaalsContact OH-CB 3.24Å; Y493-S593 WeakPolarHBondContact OH-CB 3.35Å; F591-S593 VanDerWaalsContact C-N 3.25Å; F591-S593 PolarHBondContact O-N 2.75Å; F591-S593 VanDerWaalsContact O-N 3.17Å
594	I	86.4	Confident	81.8	Confident	52 Å²	52	53 Å²	53	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-75.5	-38.8	-177.8	-57.3	-176.2	0	0	0	109.9	P356 F591 F596	P356-I594 HydrophobicContact CB-CG2 4Å; P356-I594 HydrophobicContact CG-CG2 4.17Å; F591-I594 HydrophobicContact CB-CB 4.27Å; F591-I594 HydrophobicContact CB-CD1 4.03Å; F591-I594 HydrophobicContact CB-CG1 4.22Å; F591-I594 HydrophobicContact CD1-CD1 4.26Å; F591-I594 HydrophobicContact CG-CD1 4.34Å; F591-I594 PolarHBondContact O-N 3.45Å; I594-F596 VanDerWaalsContact C-N 3.34Å
595	F	89.8	Confident	80.5	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-82.8	-7.9	179.5	-79	-81.6	0	0	0	114.2	P356 L359 L360 Q587 V588 F591 G597 V598 F599	P356-F595 HydrophobicContact CB-CD1 4.05Å; P356-F595 HydrophobicContact CB-CE1 3.88Å; P356-F595 HydrophobicContact CB-CZ 4.23Å; L359-F595 HydrophobicContact CB-CE2 4.3Å; L359-F595 HydrophobicContact CB-CZ 3.89Å; L359-F595 HydrophobicContact CD1-CE2 3.63Å; L359-F595 HydrophobicContact CD1-CZ 4.08Å; L360-F595 HydrophobicContact CD1-CE1 4.17Å; L360-F595 HydrophobicContact CD2-CE1 4Å; L360-F595 HydrophobicContact CD2-CZ 4.41Å; L360-F595 HydrophobicContact CG-CE1 3.89Å; L360-F595 HydrophobicContact CG-CZ 4.3Å; Q587-F595 HydrophobicContact CB-CE2 4.18Å; Q587-F595 HydrophobicContact CB-CZ 4.33Å; V588-F595 HydrophobicContact CB-CB 4.41Å; V588-F595 HydrophobicContact CB-CD2 4.39Å; V588-F595 HydrophobicContact CB-CG 4.36Å; V588-F595 HydrophobicContact CG1-CB 3.9Å; V588-F595 HydrophobicContact CG1-CG 4.37Å; V588-F595 HydrophobicContact CG2-CB 4.08Å; V588-F595 HydrophobicContact CG2-CD1 3.9Å; V588-F595 HydrophobicContact CG2-CD2 4.06Å; V588-F595 HydrophobicContact CG2-CE1 4.34Å; V588-F595 HydrophobicContact CG2-CE2 4.47Å; V588-F595 HydrophobicContact CG2-CG 3.75Å; F591-F595 HydrophobicContact CB-CD2 4.37Å; F591-F595 PolarHBondContact O-N 3.18Å; F595-G597 VanDerWaalsContact C-N 3.31Å; F595-G597 PolarHBondContact O-N 2.98Å; F595-V598 HydrophobicContact CD1-CB 4.35Å; F595-V598 HydrophobicContact CD1-CG2 4.21Å; F595-V598 WeakPolarHBondContact O-CB 3.26Å; F595-V598 PolarHBondContact O-N 2.91Å; F595-F599 HydrophobicContact CB-CD2 4.33Å; F595-F599 HydrophobicContact CB-CE2 4.34Å; F595-F599 HydrophobicContact CD1-CE2 4.32Å; F595-F599 WeakPolarHBondContact O-CD2 3Å; F595-F599 PolarHBondContact O-N 2.89Å
596	F	89.2	Confident	79.8	Confident	39 Å²	39	59.3 Å²	59.3	17%	0.171	31%	0.312	C	S	.	.	H	α-helix	trans	-52.8	-49.2	-177.6	-174.4	-94.5	0	0	0	111.8	H484 Y487 Y493 P592 I594 V598 F599 C600	H484-F596 AromaticContact CD2-CZ 3.63Å; H484-F596 AromaticContact CE1-CZ 3.78Å; H484-F596 AromaticContact CG-CZ 3.81Å; H484-F596 AromaticContact ND1-CZ 3.9Å; H484-F596 AromaticContact NE2-CE1 4Å; H484-F596 AromaticContact NE2-CZ 3.63Å; Y487-F596 AromaticContact CD1-CD2 3.63Å; Y487-F596 HydrophobicContact CD1-CD2 3.63Å; Y487-F596 HydrophobicContact CD1-CE2 4.05Å; Y487-F596 HydrophobicContact CE1-CB 4.39Å; Y487-F596 AromaticContact CE1-CD2 3.7Å; Y487-F596 HydrophobicContact CE1-CD2 3.7Å; Y487-F596 HydrophobicContact CG-CD2 4.26Å; Y487-F596 PolarHBondContact OH-N 3.31Å; Y493-F596 AromaticContact CD1-CD2 3.83Å; Y493-F596 HydrophobicContact CD1-CD2 3.83Å; Y493-F596 HydrophobicContact CD1-CE2 4.46Å; Y493-F596 HydrophobicContact CE1-CB 4.27Å; Y493-F596 AromaticContact CE1-CD2 3.79Å; Y493-F596 HydrophobicContact CE1-CD2 3.79Å; Y493-F596 HydrophobicContact CE1-CE2 4.48Å; Y493-F596 HydrophobicContact CE1-CG 4.19Å; P592-F596 PolarHBondContact O-N 3.33Å; I594-F596 VanDerWaalsContact C-N 3.34Å; F596-V598 VanDerWaalsContact C-N 3.3Å; F596-V598 PolarHBondContact O-N 3.49Å; F596-F599 PolarHBondContact O-N 3.19Å; F596-C600 HydrophobicContact CD1-CB 4.32Å; F596-C600 HydrophobicContact CE1-CB 3.94Å; F596-C600 HydrophobicContact CE2-CB 4.24Å; F596-C600 HydrophobicContact CZ-CB 3.9Å; F596-C600 WeakPolarHBondContact O-CB 3.41Å; F596-C600 PolarHBondContact O-N 3.42Å
597	G	86	Confident	79.8	Confident	26 Å²	26	57.8 Å²	57.8	27%	0.268	31%	0.306	S	S	.	.	H	α-helix	trans	-69.2	-24.1	179.4	0	0	0	0	0	114.8	F595 F599 D601	F595-G597 VanDerWaalsContact C-N 3.31Å; F595-G597 PolarHBondContact O-N 2.98Å; G597-F599 VanDerWaalsContact C-N 3.28Å; G597-F599 PolarHBondContact O-N 2.88Å; G597-D601 VanDerWaalsContact CA-CG 3.5Å; G597-D601 WeakPolarHBondContact CA-OD2 3.4Å; G597-D601 WeakPolarHBondContact O-CB 3.27Å; G597-D601 PolarHBondContact O-N 2.86Å
598	V	89.9	Confident	79.7	Confident	13 Å²	13	56.1 Å²	56.1	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-31.3	174.6	-179.7	0	0	0	0	111.3	P356 L472 P478 I479 G480 F595 F596 A667	P356-V598 HydrophobicContact CB-CG2 3.81Å; P356-V598 HydrophobicContact CG-CG2 3.87Å; L472-V598 HydrophobicContact CD2-CG1 3.62Å; P478-V598 HydrophobicContact CB-CG1 4.33Å; I479-V598 PolarHBondContact N-O 2.9Å; G480-V598 PolarHBondContact N-O 3.34Å; F595-V598 HydrophobicContact CD1-CB 4.35Å; F595-V598 HydrophobicContact CD1-CG2 4.21Å; F595-V598 WeakPolarHBondContact O-CB 3.26Å; F595-V598 PolarHBondContact O-N 2.91Å; F596-V598 VanDerWaalsContact C-N 3.3Å; F596-V598 PolarHBondContact O-N 3.49Å; V598-A667 HydrophobicContact CG1-CB 4.41Å
599	F	93.5	Very high	79.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-98.4	-40.5	-177	-76.4	-103.8	0	0	0	113.6	L472 I479 G480 F481 F482 Y487 F491 V588 F595 F596 G597	L472-F599 HydrophobicContact CD1-CE2 4.14Å; L472-F599 HydrophobicContact CD1-CZ 3.85Å; I479-F599 HydrophobicContact CB-CD1 4.42Å; I479-F599 HydrophobicContact CD1-CD1 3.56Å; I479-F599 HydrophobicContact CD1-CE1 3.32Å; I479-F599 HydrophobicContact CD1-CG 4.3Å; I479-F599 HydrophobicContact CD1-CZ 3.87Å; I479-F599 HydrophobicContact CG2-CD1 4.46Å; G480-F599 CarbonylContact C-O 3.56Å; G480-F599 WeakPolarHBondContact CA-O 3.47Å; G480-F599 PolarHBondContact N-O 2.72Å; G480-F599 VanDerWaalsContact N-O 3.17Å; F481-F599 PolarHBondContact N-O 3.24Å; F482-F599 HydrophobicContact CB-CB 4.45Å; F482-F599 WeakPolarHBondContact CB-O 3.3Å; F482-F599 HydrophobicContact CD2-CB 4.39Å; F482-F599 AromaticContact CD2-CD1 3.65Å; F482-F599 HydrophobicContact CD2-CD1 3.65Å; F482-F599 HydrophobicContact CD2-CE1 4.49Å; F482-F599 HydrophobicContact CD2-CG 4.5Å; F482-F599 AromaticContact CE2-CD1 3.67Å; F482-F599 HydrophobicContact CE2-CD1 3.67Å; F482-F599 HydrophobicContact CE2-CE1 4.09Å; F482-F599 HydrophobicContact CG-CD1 4.37Å; F482-F599 HydrophobicContact CZ-CD1 4.42Å; F482-F599 PolarHBondContact N-O 3.23Å; Y487-F599 HydrophobicContact CD2-CB 3.55Å; Y487-F599 HydrophobicContact CD2-CD1 4.39Å; Y487-F599 AromaticContact CD2-CG 3.94Å; Y487-F599 HydrophobicContact CD2-CG 3.94Å; Y487-F599 HydrophobicContact CE2-CB 3.63Å; Y487-F599 HydrophobicContact CE2-CD1 4.37Å; Y487-F599 AromaticContact CE2-CD2 3.85Å; Y487-F599 HydrophobicContact CE2-CD2 3.85Å; Y487-F599 AromaticContact CE2-CG 3.7Å; Y487-F599 HydrophobicContact CE2-CG 3.7Å; F491-F599 HydrophobicContact CE2-CD1 4.45Å; F491-F599 HydrophobicContact CE2-CE1 4.27Å; F491-F599 HydrophobicContact CZ-CE1 4.24Å; F491-F599 HydrophobicContact CZ-CZ 4.29Å; V588-F599 HydrophobicContact CG1-CE2 4.28Å; V588-F599 HydrophobicContact CG2-CE2 3.71Å; V588-F599 HydrophobicContact CG2-CZ 3.95Å; F595-F599 HydrophobicContact CB-CD2 4.33Å; F595-F599 HydrophobicContact CB-CE2 4.34Å; F595-F599 HydrophobicContact CD1-CE2 4.32Å; F595-F599 WeakPolarHBondContact O-CD2 3Å; F595-F599 PolarHBondContact O-N 2.89Å; F596-F599 PolarHBondContact O-N 3.19Å; G597-F599 VanDerWaalsContact C-N 3.28Å; G597-F599 PolarHBondContact O-N 2.88Å
600	C	89.7	Confident	79.4	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-107.1	-28.7	-167.8	-69.6	0	0	0	0	115	F482 Y487 F596 A602	F482-C600 WeakPolarHBondContact O-CA 3.49Å; F482-C600 PolarHBondContact O-SG 3.42Å; F482-C600 VanDerWaalsContact O-SG 3.33Å; Y487-C600 WeakPolarHBondContact CB-SG 3.42Å; F596-C600 HydrophobicContact CD1-CB 4.32Å; F596-C600 HydrophobicContact CE1-CB 3.94Å; F596-C600 HydrophobicContact CE2-CB 4.24Å; F596-C600 HydrophobicContact CZ-CB 3.9Å; F596-C600 WeakPolarHBondContact O-CB 3.41Å; F596-C600 PolarHBondContact O-N 3.42Å; C600-A602 PolarHBondContact O-N 2.78Å
601	D	80.8	Confident	79.6	Confident	70 Å²	70	53.8 Å²	53.8	37%	0.374	29%	0.287	S	S	.	.			trans	-78.9	104.2	-175.6	-65.1	-24.1	0	0	0	109	G480 G597 R603	G480-D601 WeakPolarHBondContact CA-O 3.24Å; G597-D601 VanDerWaalsContact CA-CG 3.5Å; G597-D601 WeakPolarHBondContact CA-OD2 3.4Å; G597-D601 WeakPolarHBondContact O-CB 3.27Å; G597-D601 PolarHBondContact O-N 2.86Å; D601-R603 PolarHBondContact O-N 3.36Å
602	A	60.7	Low	79.8	Confident	54 Å²	54	51.9 Å²	51.9	45%	0.446	28%	0.28	S	S	.	.			trans	-65.5	118.6	172.3	0	0	0	0	0	108.9	G480 C600 E604	G480-A602 WeakPolarHBondContact O-CA 3.13Å; G480-A602 WeakPolarHBondContact O-CB 3.26Å; G480-A602 PolarHBondContact O-N 3.34Å; C600-A602 PolarHBondContact O-N 2.78Å; A602-E604 PolarHBondContact O-N 2.55Å
603	R	59.3	Low	79.7	Confident	196 Å²	196	59.5 Å²	59.5	74%	0.74	31%	0.305	S	S	*	.			trans	25	82	167.7	-67.5	-177.4	172.9	-163.4	-11	112.6	D601 V605 E664	D601-R603 PolarHBondContact O-N 3.36Å; R603-V605 PolarHBondContact O-N 3.22Å; R603-E664 IonicContact CZ-OE1 3.6Å; R603-E664 VanDerWaalsContact CZ-OE1 3.29Å; R603-E664 IonicContact NE-OE1 3.54Å; R603-E664 IonicContact NH1-OE1 3.08Å; R603-E664 IonicContact NH2-OE1 2.9Å; R603-E664 PolarHBondContact NH2-OE1 3.42Å
604	E	53.3	Low	79.5	Confident	146 Å²	146	58.4 Å²	58.4	68%	0.682	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-54.7	129	167.1	-78.9	-166.2	151.5	0	0	108.5	A602 M606	A602-E604 PolarHBondContact O-N 2.55Å; E604-M606 PolarHBondContact O-N 2.89Å; E604-M606 VanDerWaalsContact O-N 3.1Å
605	V	58.6	Low	79.4	Confident	124 Å²	124	56.5 Å²	56.5	75%	0.752	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-57.6	119.5	170	180	0	0	0	0	106.2	R603 T607	R603-V605 PolarHBondContact O-N 3.22Å; V605-T607 WeakPolarHBondContact O-CG2 3.01Å; V605-T607 PolarHBondContact O-N 3.25Å; V605-T607 VanDerWaalsContact O-N 3.07Å
606	M	73.1	Confident	79.2	Confident	17 Å²	17	60.3 Å²	60.3	8%	0.084	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-58.3	119.5	179	179.2	158.2	48.1	0	0	108.9	E604 L611 L652 H653 L656	E604-M606 PolarHBondContact O-N 2.89Å; E604-M606 VanDerWaalsContact O-N 3.1Å; M606-L611 HydrophobicContact CG-CB 4.33Å; M606-L611 HydrophobicContact SD-CB 4.33Å; M606-L611 HydrophobicContact SD-CD1 3.64Å; M606-L611 HydrophobicContact SD-CG 4.4Å; M606-L652 HydrophobicContact CE-CB 3.98Å; M606-L652 VanDerWaalsContact CE-O 3.27Å; M606-L652 WeakPolarHBondContact CE-O 3.2Å; M606-L652 HydrophobicContact CG-CB 4.17Å; M606-L652 HydrophobicContact CG-CD1 4.49Å; M606-L652 WeakPolarHBondContact O-CD1 3.46Å; M606-H653 VanDerWaalsContact CE-CA 3.46Å; M606-H653 HydrophobicContact CE-CB 4.13Å; M606-H653 WeakPolarHBondContact CE-ND1 3.44Å; M606-L656 HydrophobicContact CE-CB 3.91Å; M606-L656 HydrophobicContact CE-CD2 3.96Å; M606-L656 HydrophobicContact SD-CB 4.19Å; M606-L656 HydrophobicContact SD-CD2 3.95Å
607	T	82.1	Confident	79.3	Confident	40 Å²	40	60 Å²	60	25%	0.245	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-97.6	161.4	177.1	67.1	0	0	0	0	110.5	V605 E609 T610 L611	V605-T607 WeakPolarHBondContact O-CG2 3.01Å; V605-T607 PolarHBondContact O-N 3.25Å; V605-T607 VanDerWaalsContact O-N 3.07Å; T607-E609 PolarHBondContact O-N 2.89Å; T607-T610 PolarHBondContact O-N 3.33Å; T607-T610 WeakPolarHBondContact OG1-CB 3.43Å; T607-T610 PolarHBondContact OG1-N 2.9Å; T607-T610 VanDerWaalsContact OG1-N 3.08Å; T607-T610 PolarHBondContact OG1-OG1 3.24Å; T607-L611 PolarHBondContact O-N 3.06Å
608	A	83.6	Confident	79.3	Confident	4 Å²	4	62 Å²	62	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-37.4	174.4	0	0	0	0	0	111.6	D612 L640 L641 E644	A608-D612 WeakPolarHBondContact O-CB 3.41Å; A608-D612 PolarHBondContact O-N 3.26Å; A608-L640 HydrophobicContact CB-CB 3.62Å; A608-L641 HydrophobicContact CB-CD2 3.89Å; A608-L641 HydrophobicContact CB-CG 4.15Å; A608-E644 HydrophobicContact CB-CB 4.32Å; A608-E644 WeakPolarHBondContact CB-OE2 3.45Å; A608-E644 PolarHBondContact N-OE2 2.67Å
609	E	83.3	Confident	79.2	Confident	142 Å²	142	65.2 Å²	65.2	66%	0.664	32%	0.324	S	S	*	.	H	α-helix	trans	-66.7	-45.7	178.2	-176.5	176.9	-180	0	0	111.8	T607 L611 D612 R613	T607-E609 PolarHBondContact O-N 2.89Å; E609-L611 VanDerWaalsContact C-N 3.34Å; E609-L611 PolarHBondContact O-N 3.16Å; E609-D612 PolarHBondContact O-N 3.24Å; E609-R613 WeakPolarHBondContact O-CB 3.47Å; E609-R613 WeakPolarHBondContact O-CG 3.35Å; E609-R613 PolarHBondContact O-N 3.07Å
610	T	77.5	Confident	78.8	Confident	36 Å²	36	67.1 Å²	67.1	22%	0.221	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-43.9	177.7	-62.8	0	0	0	0	110.6	T607 R613 L614	T607-T610 PolarHBondContact O-N 3.33Å; T607-T610 WeakPolarHBondContact OG1-CB 3.43Å; T607-T610 PolarHBondContact OG1-N 2.9Å; T607-T610 VanDerWaalsContact OG1-N 3.08Å; T607-T610 PolarHBondContact OG1-OG1 3.24Å; T610-R613 PolarHBondContact O-N 3.09Å; T610-L614 WeakPolarHBondContact O-CG 3.37Å
611	L	83.4	Confident	78.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-68.1	-41.4	178.3	-169.4	71.4	0	0	0	112.3	M606 T607 E609 R613 L614 F615 L640 L652 V655 L656	M606-L611 HydrophobicContact CG-CB 4.33Å; M606-L611 HydrophobicContact SD-CB 4.33Å; M606-L611 HydrophobicContact SD-CD1 3.64Å; M606-L611 HydrophobicContact SD-CG 4.4Å; T607-L611 PolarHBondContact O-N 3.06Å; E609-L611 VanDerWaalsContact C-N 3.34Å; E609-L611 PolarHBondContact O-N 3.16Å; L611-R613 VanDerWaalsContact C-N 3.31Å; L611-R613 PolarHBondContact O-N 3.27Å; L611-L614 HydrophobicContact CD1-CD1 3.92Å; L611-L614 WeakPolarHBondContact O-CB 3.42Å; L611-L614 PolarHBondContact O-N 3.17Å; L611-F615 HydrophobicContact CD1-CE2 4.23Å; L611-F615 HydrophobicContact CG-CE2 4.26Å; L611-F615 VanDerWaalsContact O-CD2 3.27Å; L611-F615 WeakPolarHBondContact O-CD2 3.21Å; L611-L640 HydrophobicContact CB-CD1 4.33Å; L611-L640 HydrophobicContact CD2-CD1 4.34Å; L611-L640 HydrophobicContact CD2-CD2 3.73Å; L611-L640 HydrophobicContact CG-CD1 4.45Å; L611-L652 HydrophobicContact CD2-CB 4.42Å; L611-L652 HydrophobicContact CD2-CD2 3.83Å; L611-V655 HydrophobicContact CD2-CB 4.11Å; L611-V655 HydrophobicContact CD2-CG1 3.93Å; L611-L656 HydrophobicContact CD1-CB 4.12Å; L611-L656 HydrophobicContact CD1-CD1 3.96Å
612	D	84.8	Confident	78.6	Confident	28 Å²	28	79.8 Å²	79.8	15%	0.15	39%	0.393	C	S	.	.	H	α-helix	trans	-59.4	-42.1	176.4	-169.9	55.7	0	0	0	111.6	A608 E609 L614 F615 W636 R637 L640	A608-D612 WeakPolarHBondContact O-CB 3.41Å; A608-D612 PolarHBondContact O-N 3.26Å; E609-D612 PolarHBondContact O-N 3.24Å; D612-L614 PolarHBondContact O-N 3.13Å; D612-F615 PolarHBondContact O-N 3.29Å; D612-F615 VanDerWaalsContact O-N 3.08Å; D612-W636 PolarHBondContact OD1-NE1 3.41Å; D612-R637 IonicContact OD1-NE 3.42Å; D612-R637 IonicContact OD2-CZ 3.79Å; D612-R637 IonicContact OD2-NE 2.77Å; D612-R637 PolarHBondContact OD2-NE 3.11Å; D612-R637 IonicContact OD2-NH2 3.99Å; D612-L640 HydrophobicContact CB-CD1 3.99Å
613	R	83.5	Confident	79.4	Confident	187 Å²	187	82.6 Å²	82.6	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-63.5	-22	179.9	-81.4	179.5	52.4	-126.4	-10.6	114.3	E609 T610 L611 F615	E609-R613 WeakPolarHBondContact O-CB 3.47Å; E609-R613 WeakPolarHBondContact O-CG 3.35Å; E609-R613 PolarHBondContact O-N 3.07Å; T610-R613 PolarHBondContact O-N 3.09Å; L611-R613 VanDerWaalsContact C-N 3.31Å; L611-R613 PolarHBondContact O-N 3.27Å; R613-F615 VanDerWaalsContact C-N 3.26Å; R613-F615 PolarHBondContact O-N 3.13Å
614	L	81.2	Confident	80.3	Confident	47 Å²	47	81.1 Å²	81.1	25%	0.246	40%	0.399	C	S	.	.	H	α-helix	trans	-70.5	-26	175.9	-62.9	175.1	0	0	0	112.2	T610 L611 D612 L656 L665 P674	T610-L614 WeakPolarHBondContact O-CG 3.37Å; L611-L614 HydrophobicContact CD1-CD1 3.92Å; L611-L614 WeakPolarHBondContact O-CB 3.42Å; L611-L614 PolarHBondContact O-N 3.17Å; D612-L614 PolarHBondContact O-N 3.13Å; L614-L656 HydrophobicContact CD1-CD1 4.33Å; L614-L665 HydrophobicContact CD1-CD1 3.89Å; L614-L665 HydrophobicContact CD1-CD2 3.68Å; L614-L665 HydrophobicContact CD1-CG 4.4Å; L614-L665 HydrophobicContact CD2-CD1 4.31Å; L614-L665 HydrophobicContact CD2-CD2 4.39Å; L614-P674 HydrophobicContact CB-CG 4.27Å; L614-P674 WeakPolarHBondContact O-CD 3.47Å
615	F	84.1	Confident	81.6	Confident	12 Å²	12	75.6 Å²	75.6	5%	0.053	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-97	125.5	-170.8	-73.7	-77.6	0	0	0	112.6	L611 D612 R613 M617 W636 V659 P674 I676 L710	L611-F615 HydrophobicContact CD1-CE2 4.23Å; L611-F615 HydrophobicContact CG-CE2 4.26Å; L611-F615 VanDerWaalsContact O-CD2 3.27Å; L611-F615 WeakPolarHBondContact O-CD2 3.21Å; D612-F615 PolarHBondContact O-N 3.29Å; D612-F615 VanDerWaalsContact O-N 3.08Å; R613-F615 VanDerWaalsContact C-N 3.26Å; R613-F615 PolarHBondContact O-N 3.13Å; F615-M617 HydrophobicContact CB-CE 3.8Å; F615-W636 AromaticContact CD2-CZ2 3.84Å; F615-W636 HydrophobicContact CD2-CZ2 3.84Å; F615-W636 HydrophobicContact CE2-CH2 4.37Å; F615-W636 AromaticContact CE2-CZ2 3.95Å; F615-W636 HydrophobicContact CE2-CZ2 3.95Å; F615-V659 HydrophobicContact CE1-CB 4.44Å; F615-V659 HydrophobicContact CE1-CG1 3.64Å; F615-V659 HydrophobicContact CZ-CB 4.1Å; F615-V659 HydrophobicContact CZ-CG1 3.79Å; F615-V659 HydrophobicContact CZ-CG2 4.15Å; F615-P674 WeakPolarHBondContact CA-O 3.27Å; F615-P674 HydrophobicContact CD1-CB 3.42Å; F615-P674 VanDerWaalsContact CD1-CB 3.42Å; F615-P674 HydrophobicContact CE1-CB 3.34Å; F615-P674 HydrophobicContact CG-CB 4.12Å; F615-P674 HydrophobicContact CZ-CB 3.99Å; F615-I676 HydrophobicContact CB-CD1 3.94Å; F615-I676 HydrophobicContact CB-CG1 3.94Å; F615-I676 HydrophobicContact CD1-CD1 3.98Å; F615-I676 HydrophobicContact CD1-CG1 3.56Å; F615-I676 HydrophobicContact CD2-CD1 4.48Å; F615-I676 HydrophobicContact CE1-CG1 4.32Å; F615-I676 HydrophobicContact CG-CD1 3.87Å; F615-I676 HydrophobicContact CG-CG1 3.89Å; F615-L710 HydrophobicContact CE1-CB 4.5Å
616	T	86.5	Confident	82.7	Confident	80 Å²	80	75 Å²	75	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.6	167.5	-56.6	0	0	0	0	110.3	P674 S675 I676	T616-P674 PolarHBondContact N-O 2.84Å; T616-S675 CarbonylContact O-C 3.59Å; T616-S675 VanDerWaalsContact O-CA 3.28Å; T616-S675 WeakPolarHBondContact O-CA 3.43Å; T616-I676 PolarHBondContact O-N 3.41Å
617	M	89.7	Confident	83.2	Confident	33 Å²	33	78.6 Å²	78.6	16%	0.163	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.6	178.2	-55	-66	146.5	0	0	110.7	F615 F619 V633 I676	F615-M617 HydrophobicContact CB-CE 3.8Å; M617-F619 HydrophobicContact CB-CE2 3.94Å; M617-F619 HydrophobicContact CB-CZ 4.41Å; M617-V633 HydrophobicContact CG-CG1 4.48Å; M617-V633 HydrophobicContact CG-CG2 4.5Å; M617-V633 HydrophobicContact SD-CG2 4.38Å; M617-I676 HydrophobicContact CE-CB 4.35Å; M617-I676 HydrophobicContact CE-CD1 3.67Å; M617-I676 HydrophobicContact CE-CG1 4.25Å; M617-I676 HydrophobicContact SD-CB 3.71Å; M617-I676 HydrophobicContact SD-CD1 3.99Å; M617-I676 HydrophobicContact SD-CG1 4.25Å; M617-I676 HydrophobicContact SD-CG2 3.98Å
618	N	87.6	Confident	83.3	Confident	68 Å²	68	81.6 Å²	81.6	36%	0.364	39%	0.393	S	S	.	.			trans	-104.5	110	176.2	-59	-32.4	0	0	0	109.5	I676 S677 F678	N618-I676 WeakPolarHBondContact CB-O 3.49Å; N618-I676 PolarHBondContact N-O 2.87Å; N618-S677 WeakPolarHBondContact CB-OG 3.4Å; N618-F678 WeakPolarHBondContact O-CE2 3.26Å
619	F	87.3	Confident	83.5	Confident	80 Å²	80	81.5 Å²	81.5	35%	0.351	39%	0.392	S	S	.	.			trans	-88.6	153	177.6	-66.9	-87.4	0	0	0	111.6	M617 R626 E629 V633 F678	M617-F619 HydrophobicContact CB-CE2 3.94Å; M617-F619 HydrophobicContact CB-CZ 4.41Å; F619-R626 HydrophobicContact CB-CG 4.14Å; F619-R626 HydrophobicContact CD1-CG 3.96Å; F619-R626 HydrophobicContact CG-CG 4.32Å; F619-E629 VanDerWaalsContact CA-OE2 3.27Å; F619-E629 WeakPolarHBondContact CA-OE2 3.48Å; F619-E629 WeakPolarHBondContact CB-OE2 3.27Å; F619-E629 HydrophobicContact CD1-CB 3.96Å; F619-E629 WeakPolarHBondContact CD1-OE2 3.43Å; F619-E629 HydrophobicContact CE1-CB 4.26Å; F619-V633 HydrophobicContact CE1-CG2 4.06Å; F619-V633 HydrophobicContact CZ-CG2 3.87Å; F619-F678 AromaticContact CD1-CE2 4Å; F619-F678 HydrophobicContact CD1-CE2 4Å; F619-F678 HydrophobicContact CD1-CZ 4.48Å; F619-F678 HydrophobicContact CE1-CE2 4.2Å; F619-F678 HydrophobicContact CE1-CZ 4.23Å; F619-F678 HydrophobicContact CG-CE2 4.48Å
620	S	85.8	Confident	83.6	Confident	40 Å²	40	78.1 Å²	78.1	28%	0.28	38%	0.381	S	S	.	.			trans	-65.8	147.5	170.1	-66.8	0	0	0	0	112	Q622 T625 E629	S620-Q622 VanDerWaalsContact C-N 3.31Å; S620-Q622 PolarHBondContact O-N 2.92Å; S620-T625 WeakPolarHBondContact CB-OG1 3.45Å; S620-E629 VanDerWaalsContact CB-OE1 3.23Å; S620-E629 WeakPolarHBondContact CB-OE1 3.44Å; S620-E629 PolarHBondContact N-OE1 2.85Å; S620-E629 VanDerWaalsContact N-OE1 3.12Å; S620-E629 PolarHBondContact N-OE2 3.03Å; S620-E629 PolarHBondContact OG-OE1 2.88Å
621	E	80.6	Confident	84.2	Confident	203 Å²	203	79.1 Å²	79.1	95%	0.949	39%	0.388	S	S	*	.	S	Bend	trans	-69.4	-28.2	178.4	-64.2	-172.4	167	0	0	112.9
622	Q	84.1	Confident	84.6	Confident	138 Å²	138	79.2 Å²	79.2	65%	0.645	39%	0.389	S	S	*	.	S	Bend	trans	-77.3	128	-179.6	-66.9	176.4	-7.2	0	0	110.7	S620 E624 T625 R626	S620-Q622 VanDerWaalsContact C-N 3.31Å; S620-Q622 PolarHBondContact O-N 2.92Å; Q622-E624 VanDerWaalsContact C-N 3.29Å; Q622-E624 PolarHBondContact O-N 2.87Å; Q622-T625 WeakPolarHBondContact CB-OG1 3.46Å; Q622-T625 PolarHBondContact O-N 3.1Å; Q622-T625 PolarHBondContact O-OG1 3.2Å; Q622-R626 WeakPolarHBondContact O-CB 3.32Å; Q622-R626 PolarHBondContact O-N 2.68Å
623	Q	78.4	Confident	84.8	Confident	114 Å²	114	78.3 Å²	78.3	53%	0.533	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-35.3	-175.7	-171.1	62.3	40.8	0	0	113	N627	Q623-N627 PolarHBondContact NE2-OD1 3.07Å; Q623-N627 PolarHBondContact O-N 3.24Å; Q623-N627 PolarHBondContact O-ND2 3.48Å; Q623-N627 PolarHBondContact O-OD1 3.48Å
624	E	78	Confident	85	Confident	164 Å²	164	72.8 Å²	72.8	77%	0.766	37%	0.374	S	S	*	.	H	α-helix	trans	-67	-42.3	-179.3	-66.8	-178.7	179.8	0	0	112.2	Q622	Q622-E624 VanDerWaalsContact C-N 3.29Å; Q622-E624 PolarHBondContact O-N 2.87Å
625	T	80.3	Confident	85.6	Confident	30 Å²	30	72.4 Å²	72.4	18%	0.184	37%	0.371	C	S	.	.	H	α-helix	trans	-71.7	-41.3	176	54.6	0	0	0	0	110.9	S620 Q622 N627 L628 E629	S620-T625 WeakPolarHBondContact CB-OG1 3.45Å; Q622-T625 WeakPolarHBondContact CB-OG1 3.46Å; Q622-T625 PolarHBondContact O-N 3.1Å; Q622-T625 PolarHBondContact O-OG1 3.2Å; T625-N627 PolarHBondContact O-N 3.48Å; T625-L628 WeakPolarHBondContact O-CA 3.41Å; T625-L628 WeakPolarHBondContact O-CB 3.44Å; T625-L628 PolarHBondContact O-N 3.25Å; T625-E629 WeakPolarHBondContact O-CG 3.43Å; T625-E629 PolarHBondContact O-N 3.19Å; T625-E629 VanDerWaalsContact O-N 3.1Å
626	R	82.9	Confident	86	Confident	111 Å²	111	71.9 Å²	71.9	42%	0.419	37%	0.368	S	S	.	.	H	α-helix	trans	-57.4	-34.6	175.2	-172	173	-175.8	-164.5	3.6	114	F619 Q622 L628 E629 T630	F619-R626 HydrophobicContact CB-CG 4.14Å; F619-R626 HydrophobicContact CD1-CG 3.96Å; F619-R626 HydrophobicContact CG-CG 4.32Å; Q622-R626 WeakPolarHBondContact O-CB 3.32Å; Q622-R626 PolarHBondContact O-N 2.68Å; R626-L628 PolarHBondContact O-N 3.27Å; R626-E629 WeakPolarHBondContact CA-OE2 3.42Å; R626-E629 PolarHBondContact O-N 2.85Å; R626-T630 PolarHBondContact O-N 2.92Å; R626-T630 VanDerWaalsContact O-N 3.12Å; R626-T630 PolarHBondContact O-OG1 3.09Å
627	N	82.6	Confident	86.3	Confident	93 Å²	93	73.7 Å²	73.7	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-30.4	175	-69.7	-18.7	0	0	0	112.1	Q623 T625 P631	Q623-N627 PolarHBondContact NE2-OD1 3.07Å; Q623-N627 PolarHBondContact O-N 3.24Å; Q623-N627 PolarHBondContact O-ND2 3.48Å; Q623-N627 PolarHBondContact O-OD1 3.48Å; T625-N627 PolarHBondContact O-N 3.48Å; N627-P631 VanDerWaalsContact O-CD 3.26Å; N627-P631 WeakPolarHBondContact O-CD 3.22Å
628	L	83.6	Confident	86.3	Confident	104 Å²	104	76.4 Å²	76.4	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-80.3	-29.5	176.2	-58.8	174.2	0	0	0	112.5	T625 R626 P631 V714	T625-L628 WeakPolarHBondContact O-CA 3.41Å; T625-L628 WeakPolarHBondContact O-CB 3.44Å; T625-L628 PolarHBondContact O-N 3.25Å; R626-L628 PolarHBondContact O-N 3.27Å; L628-P631 WeakPolarHBondContact O-CD 3.28Å; L628-V714 HydrophobicContact CB-CG1 3.98Å
629	E	88.5	Confident	86.6	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.009	36%	0.361	C	S	.	.	H	α-helix	trans	-74.1	-35.4	177.8	-63.4	173.2	156.8	0	0	112.8	F619 S620 T625 R626 I632 V633 F678 H680	F619-E629 VanDerWaalsContact CA-OE2 3.27Å; F619-E629 WeakPolarHBondContact CA-OE2 3.48Å; F619-E629 WeakPolarHBondContact CB-OE2 3.27Å; F619-E629 HydrophobicContact CD1-CB 3.96Å; F619-E629 WeakPolarHBondContact CD1-OE2 3.43Å; F619-E629 HydrophobicContact CE1-CB 4.26Å; S620-E629 VanDerWaalsContact CB-OE1 3.23Å; S620-E629 WeakPolarHBondContact CB-OE1 3.44Å; S620-E629 PolarHBondContact N-OE1 2.85Å; S620-E629 VanDerWaalsContact N-OE1 3.12Å; S620-E629 PolarHBondContact N-OE2 3.03Å; S620-E629 PolarHBondContact OG-OE1 2.88Å; T625-E629 WeakPolarHBondContact O-CG 3.43Å; T625-E629 PolarHBondContact O-N 3.19Å; T625-E629 VanDerWaalsContact O-N 3.1Å; R626-E629 WeakPolarHBondContact CA-OE2 3.42Å; R626-E629 PolarHBondContact O-N 2.85Å; E629-I632 VanDerWaalsContact O-CB 3.29Å; E629-I632 WeakPolarHBondContact O-CB 3.45Å; E629-I632 PolarHBondContact O-N 3.45Å; E629-V633 PolarHBondContact O-N 3.22Å; E629-F678 HydrophobicContact CB-CD1 4.06Å; E629-F678 HydrophobicContact CB-CD2 3.7Å; E629-F678 HydrophobicContact CB-CE1 4.17Å; E629-F678 HydrophobicContact CB-CE2 3.81Å; E629-F678 HydrophobicContact CB-CG 3.83Å; E629-F678 HydrophobicContact CB-CZ 4.05Å; E629-F678 HydrophobicContact CG-CB 3.73Å; E629-F678 HydrophobicContact CG-CD1 4.19Å; E629-F678 HydrophobicContact CG-CD2 3.47Å; E629-F678 VanDerWaalsContact CG-CD2 3.47Å; E629-F678 HydrophobicContact CG-CE2 4.1Å; E629-F678 HydrophobicContact CG-CG 3.52Å; E629-F678 WeakPolarHBondContact OE1-CD2 3.4Å; E629-H680 IonicContact OE1-CE1 3.79Å; E629-H680 PolarHBondContact OE1-CE1 2.74Å; E629-H680 IonicContact OE1-NE2 3.49Å
630	T	85.7	Confident	86.8	Confident	71 Å²	71	69.3 Å²	69.3	44%	0.436	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-44.7	-173.5	-58.7	0	0	0	0	113.6	R626 I632 V633	R626-T630 PolarHBondContact O-N 2.92Å; R626-T630 VanDerWaalsContact O-N 3.12Å; R626-T630 PolarHBondContact O-OG1 3.09Å; T630-I632 VanDerWaalsContact C-N 3.26Å; T630-I632 PolarHBondContact O-N 3.08Å; T630-V633 PolarHBondContact O-N 2.81Å
631	P	89.4	Confident	86.9	Confident	57 Å²	57	71.8 Å²	71.8	37%	0.37	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-30.2	173.8	-24	35	0	0	0	114.2	N627 L628 V633 S634 F635	N627-P631 VanDerWaalsContact O-CD 3.26Å; N627-P631 WeakPolarHBondContact O-CD 3.22Å; L628-P631 WeakPolarHBondContact O-CD 3.28Å; P631-V633 VanDerWaalsContact C-N 3.31Å; P631-V633 PolarHBondContact O-N 3.4Å; P631-S634 WeakPolarHBondContact O-CB 3.39Å; P631-S634 PolarHBondContact O-N 3.48Å; P631-S634 VanDerWaalsContact O-N 3.15Å; P631-F635 WeakPolarHBondContact O-CG 3.36Å; P631-F635 PolarHBondContact O-N 3.5Å
632	I	91.3	Very high	87.3	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-33	-178.1	-52.8	-56.9	0	0	0	111.1	E629 T630 S634 F635 W636 F678 L712 V714 T715 F721	E629-I632 VanDerWaalsContact O-CB 3.29Å; E629-I632 WeakPolarHBondContact O-CB 3.45Å; E629-I632 PolarHBondContact O-N 3.45Å; T630-I632 VanDerWaalsContact C-N 3.26Å; T630-I632 PolarHBondContact O-N 3.08Å; I632-S634 VanDerWaalsContact C-N 3.3Å; I632-S634 PolarHBondContact O-N 3.06Å; I632-F635 HydrophobicContact CD1-CD2 3.8Å; I632-F635 HydrophobicContact CD1-CE2 4.07Å; I632-F635 CarbonylContact O-C 3.56Å; I632-F635 WeakPolarHBondContact O-CB 3.37Å; I632-F635 PolarHBondContact O-N 3.21Å; I632-F635 VanDerWaalsContact O-N 3.15Å; I632-W636 WeakPolarHBondContact O-CB 3.23Å; I632-W636 PolarHBondContact O-N 3.01Å; I632-F678 HydrophobicContact CB-CD1 4.04Å; I632-F678 HydrophobicContact CB-CE1 3.86Å; I632-F678 HydrophobicContact CG2-CD1 3.97Å; I632-F678 HydrophobicContact CG2-CE1 3.93Å; I632-L712 HydrophobicContact CG2-CB 4.09Å; I632-L712 HydrophobicContact CG2-CD1 4.13Å; I632-V714 HydrophobicContact CD1-CG1 4.43Å; I632-V714 HydrophobicContact CG1-CB 4.48Å; I632-V714 HydrophobicContact CG1-CG1 4.3Å; I632-V714 HydrophobicContact CG1-CG2 4.39Å; I632-T715 WeakPolarHBondContact CD1-O 3.49Å; I632-F721 HydrophobicContact CG2-CD2 4.13Å; I632-F721 HydrophobicContact CG2-CE2 3.68Å; I632-F721 HydrophobicContact CG2-CZ 4.48Å
633	V	89.4	Confident	87.4	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.055	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-39.2	173	-177.8	0	0	0	0	111.2	M617 F619 E629 T630 P631 F635 W636 R637 F678	M617-V633 HydrophobicContact CG-CG1 4.48Å; M617-V633 HydrophobicContact CG-CG2 4.5Å; M617-V633 HydrophobicContact SD-CG2 4.38Å; F619-V633 HydrophobicContact CE1-CG2 4.06Å; F619-V633 HydrophobicContact CZ-CG2 3.87Å; E629-V633 PolarHBondContact O-N 3.22Å; T630-V633 PolarHBondContact O-N 2.81Å; P631-V633 VanDerWaalsContact C-N 3.31Å; P631-V633 PolarHBondContact O-N 3.4Å; V633-F635 VanDerWaalsContact C-N 3.34Å; V633-W636 PolarHBondContact O-N 3.03Å; V633-R637 WeakPolarHBondContact O-CG 3.27Å; V633-R637 PolarHBondContact O-N 3.2Å; V633-F678 HydrophobicContact CG2-CE1 4.07Å; V633-F678 HydrophobicContact CG2-CZ 3.63Å
634	S	88.7	Confident	87.8	Confident	71 Å²	71	56.1 Å²	56.1	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-66.7	-37.6	174	-59.8	0	0	0	0	111.6	P631 I632 H638	P631-S634 WeakPolarHBondContact O-CB 3.39Å; P631-S634 PolarHBondContact O-N 3.48Å; P631-S634 VanDerWaalsContact O-N 3.15Å; I632-S634 VanDerWaalsContact C-N 3.3Å; I632-S634 PolarHBondContact O-N 3.06Å; S634-H638 VanDerWaalsContact O-CB 3.3Å; S634-H638 WeakPolarHBondContact O-CB 3.16Å; S634-H638 PolarHBondContact O-N 3.28Å
635	F	92.7	Very high	88.2	Confident	40 Å²	40	52.9 Å²	52.9	18%	0.175	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-42.9	174	-65.3	-10.5	0	0	0	112	P631 I632 V633 H638 F639 Y718 F721	P631-F635 WeakPolarHBondContact O-CG 3.36Å; P631-F635 PolarHBondContact O-N 3.5Å; I632-F635 HydrophobicContact CD1-CD2 3.8Å; I632-F635 HydrophobicContact CD1-CE2 4.07Å; I632-F635 CarbonylContact O-C 3.56Å; I632-F635 WeakPolarHBondContact O-CB 3.37Å; I632-F635 PolarHBondContact O-N 3.21Å; I632-F635 VanDerWaalsContact O-N 3.15Å; V633-F635 VanDerWaalsContact C-N 3.34Å; F635-H638 PolarHBondContact O-N 3.21Å; F635-F639 VanDerWaalsContact O-CB 3.24Å; F635-F639 WeakPolarHBondContact O-CB 3.27Å; F635-F639 PolarHBondContact O-N 3.48Å; F635-Y718 HydrophobicContact CB-CD2 3.81Å; F635-Y718 HydrophobicContact CB-CE2 4.44Å; F635-Y718 AromaticContact CD1-CD2 3.91Å; F635-Y718 HydrophobicContact CD1-CD2 3.91Å; F635-Y718 HydrophobicContact CD1-CG 4.31Å; F635-Y718 AromaticContact CG-CD2 3.93Å; F635-Y718 HydrophobicContact CG-CD2 3.93Å; F635-Y718 WeakPolarHBondContact O-CE2 3.05Å; F635-F721 HydrophobicContact CB-CB 4.34Å; F635-F721 HydrophobicContact CB-CD1 3.7Å; F635-F721 HydrophobicContact CB-CD2 4.34Å; F635-F721 HydrophobicContact CB-CE1 4.03Å; F635-F721 HydrophobicContact CB-CG 3.86Å; F635-F721 HydrophobicContact CB-CZ 4.48Å; F635-F721 HydrophobicContact CD2-CB 3.96Å; F635-F721 HydrophobicContact CD2-CG 4.21Å; F635-F721 HydrophobicContact CG-CB 4.49Å; F635-F721 HydrophobicContact CG-CG 4.49Å
636	W	92.9	Very high	88.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.3	-53.3	174.6	167.6	-106.5	0	0	0	111.9	D612 F615 I632 V633 H638 F639 L640 V655 I676 L710 L712 F721 M725	D612-W636 PolarHBondContact OD1-NE1 3.41Å; F615-W636 AromaticContact CD2-CZ2 3.84Å; F615-W636 HydrophobicContact CD2-CZ2 3.84Å; F615-W636 HydrophobicContact CE2-CH2 4.37Å; F615-W636 AromaticContact CE2-CZ2 3.95Å; F615-W636 HydrophobicContact CE2-CZ2 3.95Å; I632-W636 WeakPolarHBondContact O-CB 3.23Å; I632-W636 PolarHBondContact O-N 3.01Å; V633-W636 PolarHBondContact O-N 3.03Å; W636-H638 VanDerWaalsContact C-N 3.31Å; W636-H638 PolarHBondContact O-N 3.25Å; W636-F639 WeakPolarHBondContact O-CB 3.38Å; W636-F639 PolarHBondContact O-N 3.08Å; W636-F639 VanDerWaalsContact O-N 3.13Å; W636-L640 HydrophobicContact CD2-CD1 4.4Å; W636-L640 HydrophobicContact CD2-CG 4.24Å; W636-L640 HydrophobicContact CE3-CD2 4.43Å; W636-L640 HydrophobicContact CH2-CD1 4.49Å; W636-L640 HydrophobicContact CH2-CD2 3.77Å; W636-L640 HydrophobicContact CH2-CG 4.4Å; W636-L640 HydrophobicContact CZ2-CD1 3.69Å; W636-L640 HydrophobicContact CZ2-CD2 3.82Å; W636-L640 HydrophobicContact CZ2-CG 4.01Å; W636-L640 HydrophobicContact CZ3-CD2 4.07Å; W636-L640 WeakPolarHBondContact O-CG 3.45Å; W636-L640 PolarHBondContact O-N 3.33Å; W636-V655 HydrophobicContact CH2-CG1 3.64Å; W636-V655 HydrophobicContact CZ3-CG1 4.14Å; W636-I676 HydrophobicContact CD2-CD1 4.02Å; W636-I676 HydrophobicContact CG-CD1 4.42Å; W636-I676 HydrophobicContact CH2-CD1 4.4Å; W636-I676 HydrophobicContact CZ2-CD1 3.9Å; W636-L710 HydrophobicContact CH2-CD2 3.88Å; W636-L710 HydrophobicContact CZ3-CD2 3.82Å; W636-L712 HydrophobicContact CB-CD1 4.01Å; W636-L712 HydrophobicContact CD2-CD1 4.36Å; W636-L712 HydrophobicContact CE3-CD1 4.26Å; W636-L712 HydrophobicContact CE3-CD2 4.17Å; W636-L712 HydrophobicContact CG-CD1 4.28Å; W636-L712 HydrophobicContact CZ3-CD2 4.48Å; W636-F721 HydrophobicContact CB-CZ 4.28Å; W636-M725 HydrophobicContact CE3-CE 4.19Å; W636-M725 HydrophobicContact CZ3-CE 3.74Å
637	R	92	Very high	88.5	Confident	119 Å²	119	57.7 Å²	57.7	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-40.4	178.5	-70.9	177.8	177.4	135.2	3.3	112.6	D612 V633 F639 L640 L641	D612-R637 IonicContact OD1-NE 3.42Å; D612-R637 IonicContact OD2-CZ 3.79Å; D612-R637 IonicContact OD2-NE 2.77Å; D612-R637 PolarHBondContact OD2-NE 3.11Å; D612-R637 IonicContact OD2-NH2 3.99Å; V633-R637 WeakPolarHBondContact O-CG 3.27Å; V633-R637 PolarHBondContact O-N 3.2Å; R637-F639 VanDerWaalsContact C-N 3.33Å; R637-L640 PolarHBondContact O-N 3.24Å; R637-L641 WeakPolarHBondContact O-CG 3.34Å; R637-L641 PolarHBondContact O-N 3.38Å; R637-L641 VanDerWaalsContact O-N 3.14Å
638	H	90.9	Very high	88.7	Confident	89 Å²	89	54.2 Å²	54.2	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-66	-38.2	176.7	-170.2	44.1	0	0	0	112.1	S634 F635 W636 L641 E642 Y718	S634-H638 VanDerWaalsContact O-CB 3.3Å; S634-H638 WeakPolarHBondContact O-CB 3.16Å; S634-H638 PolarHBondContact O-N 3.28Å; F635-H638 PolarHBondContact O-N 3.21Å; W636-H638 VanDerWaalsContact C-N 3.31Å; W636-H638 PolarHBondContact O-N 3.25Å; H638-L641 PolarHBondContact O-N 3.31Å; H638-E642 PolarHBondContact O-N 3.02Å; H638-Y718 HydrophobicContact CB-CE2 3.99Å; H638-Y718 AromaticContact CD2-CD1 3.75Å; H638-Y718 AromaticContact CD2-CD2 3.97Å; H638-Y718 AromaticContact CD2-CE1 3.34Å; H638-Y718 WeakPolarHBondContact CD2-CE1 3.42Å; H638-Y718 AromaticContact CD2-CE2 3.59Å; H638-Y718 AromaticContact CD2-CZ 3.25Å; H638-Y718 AromaticContact CG-CZ 3.99Å; H638-Y718 AromaticContact NE2-CE1 3.76Å
639	F	92.7	Very high	88.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-45.4	175.6	178.8	-110	0	0	0	112.4	F635 W636 R637 L641 E642 C643 I650 V655 Y718 F721 K722 M725 E726	F635-F639 VanDerWaalsContact O-CB 3.24Å; F635-F639 WeakPolarHBondContact O-CB 3.27Å; F635-F639 PolarHBondContact O-N 3.48Å; W636-F639 WeakPolarHBondContact O-CB 3.38Å; W636-F639 PolarHBondContact O-N 3.08Å; W636-F639 VanDerWaalsContact O-N 3.13Å; R637-F639 VanDerWaalsContact C-N 3.33Å; F639-L641 VanDerWaalsContact C-N 3.32Å; F639-L641 PolarHBondContact O-N 3Å; F639-E642 PolarHBondContact O-N 3.07Å; F639-E642 VanDerWaalsContact O-N 3.16Å; F639-C643 PolarHBondContact O-N 2.89Å; F639-C643 PolarHBondContact O-SG 3.38Å; F639-I650 HydrophobicContact CE1-CD1 3.82Å; F639-I650 HydrophobicContact CZ-CD1 3.38Å; F639-I650 HydrophobicContact CZ-CG1 3.82Å; F639-V655 HydrophobicContact CE1-CG2 4.27Å; F639-Y718 VanDerWaalsContact CA-OH 3.32Å; F639-Y718 WeakPolarHBondContact CA-OH 3.34Å; F639-Y718 HydrophobicContact CB-CE2 4.16Å; F639-Y718 PolarHBondContact N-OH 3.41Å; F639-F721 HydrophobicContact CB-CE1 4Å; F639-F721 HydrophobicContact CG-CE1 4.34Å; F639-K722 HydrophobicContact CD2-CB 4.33Å; F639-K722 HydrophobicContact CD2-CG 3.99Å; F639-K722 HydrophobicContact CE2-CG 3.99Å; F639-M725 HydrophobicContact CD1-CE 4.28Å; F639-M725 HydrophobicContact CE1-CB 3.86Å; F639-M725 HydrophobicContact CE1-CE 3.91Å; F639-M725 HydrophobicContact CE1-CG 4.32Å; F639-M725 HydrophobicContact CE2-CB 4.01Å; F639-M725 HydrophobicContact CZ-CB 3.55Å; F639-M725 HydrophobicContact CZ-CG 4.42Å; F639-E726 HydrophobicContact CE2-CG 3.97Å; F639-E726 HydrophobicContact CZ-CG 4.31Å
640	L	91.2	Very high	88.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-43.7	175.3	-65.2	-170.2	0	0	0	111.8	A608 L611 D612 W636 R637 E642 C643 E644 L652 V655	A608-L640 HydrophobicContact CB-CB 3.62Å; L611-L640 HydrophobicContact CB-CD1 4.33Å; L611-L640 HydrophobicContact CD2-CD1 4.34Å; L611-L640 HydrophobicContact CD2-CD2 3.73Å; L611-L640 HydrophobicContact CG-CD1 4.45Å; D612-L640 HydrophobicContact CB-CD1 3.99Å; W636-L640 HydrophobicContact CD2-CD1 4.4Å; W636-L640 HydrophobicContact CD2-CG 4.24Å; W636-L640 HydrophobicContact CE3-CD2 4.43Å; W636-L640 HydrophobicContact CH2-CD1 4.49Å; W636-L640 HydrophobicContact CH2-CD2 3.77Å; W636-L640 HydrophobicContact CH2-CG 4.4Å; W636-L640 HydrophobicContact CZ2-CD1 3.69Å; W636-L640 HydrophobicContact CZ2-CD2 3.82Å; W636-L640 HydrophobicContact CZ2-CG 4.01Å; W636-L640 HydrophobicContact CZ3-CD2 4.07Å; W636-L640 WeakPolarHBondContact O-CG 3.45Å; W636-L640 PolarHBondContact O-N 3.33Å; R637-L640 PolarHBondContact O-N 3.24Å; L640-E642 VanDerWaalsContact C-N 3.32Å; L640-E642 PolarHBondContact O-N 3.37Å; L640-C643 WeakPolarHBondContact O-CB 3.45Å; L640-C643 PolarHBondContact O-N 3.18Å; L640-C643 VanDerWaalsContact O-N 3.17Å; L640-E644 PolarHBondContact O-N 3.16Å; L640-L652 HydrophobicContact CB-CD2 4.17Å; L640-L652 HydrophobicContact CD2-CD2 3.93Å; L640-V655 HydrophobicContact CD2-CG1 4.37Å
641	L	89.3	Confident	88.8	Confident	91 Å²	91	52.6 Å²	52.6	48%	0.476	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-41.5	175.4	-72.6	168.7	0	0	0	111.8	A608 R637 H638 F639 C643 E644 V645	A608-L641 HydrophobicContact CB-CD2 3.89Å; A608-L641 HydrophobicContact CB-CG 4.15Å; R637-L641 WeakPolarHBondContact O-CG 3.34Å; R637-L641 PolarHBondContact O-N 3.38Å; R637-L641 VanDerWaalsContact O-N 3.14Å; H638-L641 PolarHBondContact O-N 3.31Å; F639-L641 VanDerWaalsContact C-N 3.32Å; F639-L641 PolarHBondContact O-N 3Å; L641-C643 VanDerWaalsContact C-N 3.33Å; L641-C643 PolarHBondContact O-N 3.2Å; L641-E644 PolarHBondContact O-N 2.83Å; L641-V645 WeakPolarHBondContact O-CG2 3.32Å; L641-V645 PolarHBondContact O-N 2.83Å
642	E	88.1	Confident	88.6	Confident	29 Å²	29	50.3 Å²	50.3	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-33	175.6	-73.7	-152.4	112.3	0	0	113.1	H638 F639 L640 G646 R647 S648 Y718 K722	H638-E642 PolarHBondContact O-N 3.02Å; F639-E642 PolarHBondContact O-N 3.07Å; F639-E642 VanDerWaalsContact O-N 3.16Å; L640-E642 VanDerWaalsContact C-N 3.32Å; L640-E642 PolarHBondContact O-N 3.37Å; E642-G646 PolarHBondContact O-N 3.43Å; E642-R647 HydrophobicContact CB-CB 4.21Å; E642-R647 HydrophobicContact CG-CB 4.42Å; E642-R647 WeakPolarHBondContact O-CA 3.47Å; E642-R647 PolarHBondContact O-N 2.82Å; E642-S648 PolarHBondContact O-N 3.46Å; E642-Y718 WeakPolarHBondContact OE2-CE1 3.43Å; E642-Y718 PolarHBondContact OE2-OH 3.46Å; E642-K722 IonicContact OE1-NZ 2.68Å; E642-K722 PolarHBondContact OE1-NZ 3.41Å; E642-K722 WeakPolarHBondContact OE2-CD 3.35Å; E642-K722 WeakPolarHBondContact OE2-CE 3.28Å; E642-K722 IonicContact OE2-NZ 2.92Å; E642-K722 PolarHBondContact OE2-NZ 2.89Å
643	C	87.4	Confident	88.1	Confident	10 Å²	10	54.7 Å²	54.7	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-66.2	-43.4	171.7	-61.5	0	0	0	0	111.1	F639 L640 L641 G646 L652	F639-C643 PolarHBondContact O-N 2.89Å; F639-C643 PolarHBondContact O-SG 3.38Å; L640-C643 WeakPolarHBondContact O-CB 3.45Å; L640-C643 PolarHBondContact O-N 3.18Å; L640-C643 VanDerWaalsContact O-N 3.17Å; L641-C643 VanDerWaalsContact C-N 3.33Å; L641-C643 PolarHBondContact O-N 3.2Å; C643-G646 PolarHBondContact O-N 3.25Å; C643-L652 HydrophobicContact CB-CD2 3.81Å; C643-L652 HydrophobicContact CB-CG 4.04Å
644	E	86.8	Confident	87.9	Confident	88 Å²	88	56.2 Å²	56.2	41%	0.411	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-44.9	178.5	-168.8	178.2	163	0	0	112.4	A608 L640 L641 G646 L652	A608-E644 HydrophobicContact CB-CB 4.32Å; A608-E644 WeakPolarHBondContact CB-OE2 3.45Å; A608-E644 PolarHBondContact N-OE2 2.67Å; L640-E644 PolarHBondContact O-N 3.16Å; L641-E644 PolarHBondContact O-N 2.83Å; E644-G646 PolarHBondContact O-N 2.79Å; E644-L652 HydrophobicContact CB-CD1 3.89Å; E644-L652 HydrophobicContact CG-CD1 4.17Å
645	V	86.6	Confident	87.8	Confident	95 Å²	95	52.9 Å²	52.9	58%	0.576	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	8.2	180	-57.1	0	0	0	0	113.9	L641 R647	L641-V645 WeakPolarHBondContact O-CG2 3.32Å; L641-V645 PolarHBondContact O-N 2.83Å; V645-R647 HydrophobicContact CG2-CB 4.15Å; V645-R647 HydrophobicContact CG2-CG 3.76Å; V645-R647 PolarHBondContact O-N 2.83Å
646	G	83.6	Confident	87.3	Confident	62 Å²	62	51 Å²	51	64%	0.639	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	27.1	177.1	0	0	0	0	0	115.1	E642 C643 E644	E642-G646 PolarHBondContact O-N 3.43Å; C643-G646 PolarHBondContact O-N 3.25Å; E644-G646 PolarHBondContact O-N 2.79Å
647	R	84.4	Confident	86.8	Confident	181 Å²	181	53 Å²	53	68%	0.683	28%	0.279	S	S	*	.			trans	-98.1	4.1	177	-69.2	-178.2	-176.9	-174.4	2.2	113.6	E642 V645 K722	E642-R647 HydrophobicContact CB-CB 4.21Å; E642-R647 HydrophobicContact CG-CB 4.42Å; E642-R647 WeakPolarHBondContact O-CA 3.47Å; E642-R647 PolarHBondContact O-N 2.82Å; V645-R647 HydrophobicContact CG2-CB 4.15Å; V645-R647 HydrophobicContact CG2-CG 3.76Å; V645-R647 PolarHBondContact O-N 2.83Å; R647-K722 PolarHBondContact O-NZ 3.21Å
648	S	87.6	Confident	86.3	Confident	20 Å²	20	47.7 Å²	47.7	14%	0.14	26%	0.26	C	S	.	.	S	Bend	trans	-111.7	157.7	171.9	-173.5	0	0	0	0	110.3	E642 I650 E726	E642-S648 PolarHBondContact O-N 3.46Å; S648-I650 PolarHBondContact O-N 3.01Å; S648-I650 PolarHBondContact OG-N 2.94Å; S648-E726 VanDerWaalsContact CA-OE1 3.28Å; S648-E726 WeakPolarHBondContact CA-OE1 3.46Å; S648-E726 WeakPolarHBondContact CB-OE1 3.25Å; S648-E726 WeakPolarHBondContact OG-CG 3.29Å; S648-E726 PolarHBondContact OG-OE1 2.9Å
649	S	84.2	Confident	85.8	Confident	88 Å²	88	43.5 Å²	43.5	62%	0.615	24%	0.24	S	C	*	.	S	Bend	trans	-75	-7.9	172.4	55.9	0	0	0	0	113.6	E726	S649-E726 PolarHBondContact N-OE1 3.15Å; S649-E726 WeakPolarHBondContact OG-CG 3.46Å
650	I	87.4	Confident	84.7	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.051	25%	0.245	C	C	.	.	S	Bend	trans	-119.7	152.8	178.3	67.4	166.7	0	0	0	111.1	F639 S648 D654 V655 I729	F639-I650 HydrophobicContact CE1-CD1 3.82Å; F639-I650 HydrophobicContact CZ-CD1 3.38Å; F639-I650 HydrophobicContact CZ-CG1 3.82Å; S648-I650 PolarHBondContact O-N 3.01Å; S648-I650 PolarHBondContact OG-N 2.94Å; I650-D654 HydrophobicContact CB-CB 4.32Å; I650-V655 HydrophobicContact CD1-CG2 3.66Å; I650-V655 HydrophobicContact CG1-CG2 4.48Å; I650-I729 HydrophobicContact CB-CG2 4.45Å; I650-I729 HydrophobicContact CD1-CB 3.87Å; I650-I729 HydrophobicContact CD1-CD1 3.41Å; I650-I729 VanDerWaalsContact CD1-CD1 3.41Å; I650-I729 HydrophobicContact CD1-CG1 4.2Å; I650-I729 HydrophobicContact CD1-CG2 3.86Å; I650-I729 HydrophobicContact CG2-CB 4.33Å; I650-I729 HydrophobicContact CG2-CG2 4.14Å
651	S	87.4	Confident	83.6	Confident	44 Å²	44	46.6 Å²	46.6	31%	0.308	27%	0.269	S	S	.	.			trans	-94	165.3	176	73	0	0	0	0	112.1	H653 D654 V655	S651-H653 PolarHBondContact O-N 2.8Å; S651-H653 PolarHBondContact OG-N 3.02Å; S651-D654 WeakPolarHBondContact CB-OD2 3.37Å; S651-D654 PolarHBondContact N-OD2 3.32Å; S651-D654 PolarHBondContact O-N 2.9Å; S651-D654 PolarHBondContact OG-N 3.37Å; S651-D654 VanDerWaalsContact OG-N 3.16Å; S651-D654 PolarHBondContact OG-OD2 2.79Å; S651-V655 PolarHBondContact O-N 2.95Å
652	L	85.4	Confident	82.4	Confident	9 Å²	9	42.4 Å²	42.4	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-30.9	171.8	-68	173.4	0	0	0	112.2	M606 L611 L640 C643 E644 V655 L656	M606-L652 HydrophobicContact CE-CB 3.98Å; M606-L652 VanDerWaalsContact CE-O 3.27Å; M606-L652 WeakPolarHBondContact CE-O 3.2Å; M606-L652 HydrophobicContact CG-CB 4.17Å; M606-L652 HydrophobicContact CG-CD1 4.49Å; M606-L652 WeakPolarHBondContact O-CD1 3.46Å; L611-L652 HydrophobicContact CD2-CB 4.42Å; L611-L652 HydrophobicContact CD2-CD2 3.83Å; L640-L652 HydrophobicContact CB-CD2 4.17Å; L640-L652 HydrophobicContact CD2-CD2 3.93Å; C643-L652 HydrophobicContact CB-CD2 3.81Å; C643-L652 HydrophobicContact CB-CG 4.04Å; E644-L652 HydrophobicContact CB-CD1 3.89Å; E644-L652 HydrophobicContact CG-CD1 4.17Å; L652-V655 PolarHBondContact O-N 2.96Å; L652-L656 PolarHBondContact O-N 3.29Å
653	H	82.4	Confident	81.3	Confident	94 Å²	94	45.8 Å²	45.8	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-67	-39.8	175.4	-73.7	-83	0	0	0	111.9	M606 S651 V655 L656 H657	M606-H653 VanDerWaalsContact CE-CA 3.46Å; M606-H653 HydrophobicContact CE-CB 4.13Å; M606-H653 WeakPolarHBondContact CE-ND1 3.44Å; S651-H653 PolarHBondContact O-N 2.8Å; S651-H653 PolarHBondContact OG-N 3.02Å; H653-V655 VanDerWaalsContact C-N 3.27Å; H653-V655 PolarHBondContact O-N 3.24Å; H653-L656 PolarHBondContact O-N 2.97Å; H653-H657 WeakPolarHBondContact O-CB 3.06Å; H653-H657 PolarHBondContact O-N 3.11Å
654	D	84.9	Confident	80.2	Confident	41 Å²	41	48.6 Å²	48.6	22%	0.219	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-37	176	-57	-47.6	0	0	0	111.3	I650 S651 F658 I729 M733	I650-D654 HydrophobicContact CB-CB 4.32Å; S651-D654 WeakPolarHBondContact CB-OD2 3.37Å; S651-D654 PolarHBondContact N-OD2 3.32Å; S651-D654 PolarHBondContact O-N 2.9Å; S651-D654 PolarHBondContact OG-N 3.37Å; S651-D654 VanDerWaalsContact OG-N 3.16Å; S651-D654 PolarHBondContact OG-OD2 2.79Å; D654-F658 WeakPolarHBondContact O-CB 3.33Å; D654-F658 PolarHBondContact O-N 3.45Å; D654-I729 HydrophobicContact CB-CG2 3.95Å; D654-M733 HydrophobicContact CB-CG 4.18Å
655	V	86.4	Confident	79.2	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-46.5	175.1	-179.4	0	0	0	0	111	L611 W636 F639 L640 I650 S651 L652 H653 F658 V659 I729	L611-V655 HydrophobicContact CD2-CB 4.11Å; L611-V655 HydrophobicContact CD2-CG1 3.93Å; W636-V655 HydrophobicContact CH2-CG1 3.64Å; W636-V655 HydrophobicContact CZ3-CG1 4.14Å; F639-V655 HydrophobicContact CE1-CG2 4.27Å; L640-V655 HydrophobicContact CD2-CG1 4.37Å; I650-V655 HydrophobicContact CD1-CG2 3.66Å; I650-V655 HydrophobicContact CG1-CG2 4.48Å; S651-V655 PolarHBondContact O-N 2.95Å; L652-V655 PolarHBondContact O-N 2.96Å; H653-V655 VanDerWaalsContact C-N 3.27Å; H653-V655 PolarHBondContact O-N 3.24Å; V655-F658 PolarHBondContact O-N 3.32Å; V655-V659 WeakPolarHBondContact O-CG2 3.33Å; V655-V659 PolarHBondContact O-N 3.46Å; V655-I729 HydrophobicContact CG2-CD1 4.02Å
656	L	82.3	Confident	78	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-48.6	177.7	-179.8	66.4	0	0	0	111.1	M606 L611 L614 L652 H653 F658 V659 T660 L665	M606-L656 HydrophobicContact CE-CB 3.91Å; M606-L656 HydrophobicContact CE-CD2 3.96Å; M606-L656 HydrophobicContact SD-CB 4.19Å; M606-L656 HydrophobicContact SD-CD2 3.95Å; L611-L656 HydrophobicContact CD1-CB 4.12Å; L611-L656 HydrophobicContact CD1-CD1 3.96Å; L614-L656 HydrophobicContact CD1-CD1 4.33Å; L652-L656 PolarHBondContact O-N 3.29Å; H653-L656 PolarHBondContact O-N 2.97Å; L656-F658 PolarHBondContact O-N 3.44Å; L656-V659 PolarHBondContact O-N 3.14Å; L656-T660 HydrophobicContact CD1-CG2 3.89Å; L656-T660 WeakPolarHBondContact O-CB 3.39Å; L656-T660 PolarHBondContact O-N 3.13Å; L656-T660 PolarHBondContact O-OG1 3.12Å; L656-L665 HydrophobicContact CD1-CD2 3.88Å; L656-L665 HydrophobicContact CD2-CD2 4.23Å; L656-L665 HydrophobicContact CD2-CG 4.14Å
657	H	81.8	Confident	76.9	Confident	40 Å²	40	40.5 Å²	40.5	19%	0.185	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-42.3	179.7	-178	-99.2	0	0	0	111.3	H653 V659 G661 A662 D663 M733	H653-H657 WeakPolarHBondContact O-CB 3.06Å; H653-H657 PolarHBondContact O-N 3.11Å; H657-V659 VanDerWaalsContact C-N 3.27Å; H657-V659 PolarHBondContact O-N 3.08Å; H657-G661 VanDerWaalsContact O-CA 3.26Å; H657-G661 WeakPolarHBondContact O-CA 3.08Å; H657-G661 PolarHBondContact O-N 2.87Å; H657-A662 WeakPolarHBondContact CA-O 2.95Å; H657-D663 IonicContact CD2-OD1 3.98Å; H657-D663 PolarHBondContact CD2-OD1 3.01Å; H657-D663 IonicContact CG-OD1 2.56Å; H657-D663 IonicContact NE2-OD1 3.74Å; H657-M733 PolarHBondContact ND1-SD 2.89Å
658	F	82.6	Confident	75.8	Confident	9 Å²	9	32.6 Å²	32.6	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-38.9	175.8	178.1	-110.5	0	0	0	113.2	D654 V655 L656 C703 L710 I729 H732 M733	D654-F658 WeakPolarHBondContact O-CB 3.33Å; D654-F658 PolarHBondContact O-N 3.45Å; V655-F658 PolarHBondContact O-N 3.32Å; L656-F658 PolarHBondContact O-N 3.44Å; F658-C703 HydrophobicContact CD1-CB 4.09Å; F658-C703 HydrophobicContact CE1-CB 3.73Å; F658-C703 HydrophobicContact CE2-CB 4.38Å; F658-C703 HydrophobicContact CZ-CB 3.89Å; F658-C703 WeakPolarHBondContact O-CB 3.37Å; F658-C703 PolarHBondContact O-SG 2.92Å; F658-L710 HydrophobicContact CD1-CD1 4.37Å; F658-L710 HydrophobicContact CE1-CD1 3.9Å; F658-I729 HydrophobicContact CB-CG1 4.24Å; F658-I729 HydrophobicContact CB-CG2 4.24Å; F658-I729 HydrophobicContact CD1-CD1 4.14Å; F658-I729 HydrophobicContact CD1-CG1 3.73Å; F658-I729 HydrophobicContact CD2-CG1 4.16Å; F658-I729 HydrophobicContact CE1-CG1 4.05Å; F658-I729 HydrophobicContact CE2-CG1 4.45Å; F658-I729 HydrophobicContact CG-CD1 4.48Å; F658-I729 HydrophobicContact CG-CG1 3.78Å; F658-I729 HydrophobicContact CZ-CG1 4.4Å; F658-H732 HydrophobicContact CD2-CB 3.73Å; F658-H732 AromaticContact CD2-CD2 3.82Å; F658-H732 AromaticContact CD2-CG 3.58Å; F658-H732 AromaticContact CD2-ND1 3.99Å; F658-H732 HydrophobicContact CE2-CB 3.82Å; F658-H732 AromaticContact CE2-CD2 3.75Å; F658-H732 AromaticContact CE2-CG 3.83Å; F658-M733 HydrophobicContact CB-CE 3.86Å; F658-M733 HydrophobicContact CD2-CE 4.39Å
659	V	78.5	Confident	74.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-90.1	-34.6	-174.1	-177.4	0	0	0	0	113.1	F615 V655 L656 H657 P705 L710	F615-V659 HydrophobicContact CE1-CB 4.44Å; F615-V659 HydrophobicContact CE1-CG1 3.64Å; F615-V659 HydrophobicContact CZ-CB 4.1Å; F615-V659 HydrophobicContact CZ-CG1 3.79Å; F615-V659 HydrophobicContact CZ-CG2 4.15Å; V655-V659 WeakPolarHBondContact O-CG2 3.33Å; V655-V659 PolarHBondContact O-N 3.46Å; L656-V659 PolarHBondContact O-N 3.14Å; H657-V659 VanDerWaalsContact C-N 3.27Å; H657-V659 PolarHBondContact O-N 3.08Å; V659-P705 WeakPolarHBondContact O-CA 3.42Å; V659-L710 HydrophobicContact CG1-CB 3.98Å; V659-L710 HydrophobicContact CG2-CB 4.05Å; V659-L710 HydrophobicContact CG2-CD1 4.11Å; V659-L710 HydrophobicContact CG2-CD2 3.87Å; V659-L710 HydrophobicContact CG2-CG 4.23Å
660	T	70.6	Confident	74	Confident	16 Å²	16	29.5 Å²	29.5	10%	0.098	17%	0.173	C	C	.	.	H	α-helix	trans	-115.6	-12.5	-167.3	68.1	0	0	0	0	113.1	L656 A662 L670	L656-T660 HydrophobicContact CD1-CG2 3.89Å; L656-T660 WeakPolarHBondContact O-CB 3.39Å; L656-T660 PolarHBondContact O-N 3.13Å; L656-T660 PolarHBondContact O-OG1 3.12Å; T660-A662 PolarHBondContact O-N 2.58Å; T660-A662 WeakPolarHBondContact OG1-CB 3.36Å; T660-A662 PolarHBondContact OG1-N 3.14Å; T660-L670 HydrophobicContact CG2-CD1 3.54Å
661	G	68.8	Low	72.7	Confident	49 Å²	49	34 Å²	34	51%	0.505	20%	0.204	S	C	.	.	S	Bend	trans	64.6	12.5	-171.2	0	0	0	0	0	113.6	H657	H657-G661 VanDerWaalsContact O-CA 3.26Å; H657-G661 WeakPolarHBondContact O-CA 3.08Å; H657-G661 PolarHBondContact O-N 2.87Å
662	A	63.6	Low	72	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.033	21%	0.207	C	C	.	.			trans	-110.3	131.6	-179.7	0	0	0	0	0	110.5	H657 T660 E664	H657-A662 WeakPolarHBondContact CA-O 2.95Å; T660-A662 PolarHBondContact O-N 2.58Å; T660-A662 WeakPolarHBondContact OG1-CB 3.36Å; T660-A662 PolarHBondContact OG1-N 3.14Å; A662-E664 VanDerWaalsContact C-N 3.31Å
663	D	64.4	Low	71.5	Confident	99 Å²	99	38.3 Å²	38.3	53%	0.529	23%	0.232	S	C	.	.	S	Bend	trans	-73.2	-29.1	170.4	-59.9	-47.5	0	0	0	111.7	H657	H657-D663 IonicContact CD2-OD1 3.98Å; H657-D663 PolarHBondContact CD2-OD1 3.01Å; H657-D663 IonicContact CG-OD1 2.56Å; H657-D663 IonicContact NE2-OD1 3.74Å
664	E	64.4	Low	71.6	Confident	70 Å²	70	34.1 Å²	34.1	33%	0.327	21%	0.213	S	C	.	.	S	Bend	trans	-138.1	149.1	-178	-62.8	-174.2	-177.8	0	0	112.6	K424 R603 A662	K424-E664 PolarHBondContact NZ-O 2.87Å; R603-E664 IonicContact CZ-OE1 3.6Å; R603-E664 VanDerWaalsContact CZ-OE1 3.29Å; R603-E664 IonicContact NE-OE1 3.54Å; R603-E664 IonicContact NH1-OE1 3.08Å; R603-E664 IonicContact NH2-OE1 2.9Å; R603-E664 PolarHBondContact NH2-OE1 3.42Å; A662-E664 VanDerWaalsContact C-N 3.31Å
665	L	66.8	Low	71.7	Confident	53 Å²	53	33.2 Å²	33.2	28%	0.277	21%	0.21	S	C	.	.			trans	-74	125	178.1	-67.7	169.6	0	0	0	111.1	L614 L656 L670	L614-L665 HydrophobicContact CD1-CD1 3.89Å; L614-L665 HydrophobicContact CD1-CD2 3.68Å; L614-L665 HydrophobicContact CD1-CG 4.4Å; L614-L665 HydrophobicContact CD2-CD1 4.31Å; L614-L665 HydrophobicContact CD2-CD2 4.39Å; L656-L665 HydrophobicContact CD1-CD2 3.88Å; L656-L665 HydrophobicContact CD2-CD2 4.23Å; L656-L665 HydrophobicContact CD2-CG 4.14Å; L665-L670 HydrophobicContact CD2-CD1 3.75Å; L665-L670 HydrophobicContact CD2-CG 4.15Å
666	P	61.5	Low	71.9	Confident	18 Å²	18	33.2 Å²	33.2	12%	0.117	21%	0.21	C	C	.	.			trans	-62.8	150.7	174.7	-21.9	33.3	0	0	0	112.8	V668 G669 L670	P666-V668 PolarHBondContact O-N 2.77Å; P666-V668 VanDerWaalsContact O-N 3.13Å; P666-G669 WeakPolarHBondContact O-CA 3.44Å; P666-G669 PolarHBondContact O-N 3.42Å; P666-L670 HydrophobicContact CG-CD2 4.28Å
667	A	60.1	Low	72.3	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.033	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.5	174.6	0	0	0	0	0	113.6	E357 L360 L472 G476 P478 V598 G669	E357-A667 WeakPolarHBondContact CG-O 3.21Å; L360-A667 HydrophobicContact CD1-CB 4.17Å; L360-A667 WeakPolarHBondContact CD1-O 3.15Å; L472-A667 HydrophobicContact CD2-CB 3.67Å; G476-A667 PolarHBondContact O-N 3.05Å; P478-A667 HydrophobicContact CG-CB 4.24Å; V598-A667 HydrophobicContact CG1-CB 4.41Å; A667-G669 VanDerWaalsContact C-N 3.3Å
668	V	59.9	Low	72.6	Confident	15 Å²	15	33 Å²	33	9%	0.091	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2	177.4	-168.6	0	0	0	0	111.7	E357 L360 R361 L472 P666	E357-V668 WeakPolarHBondContact CB-O 3.23Å; L360-V668 HydrophobicContact CB-CG2 4.32Å; R361-V668 HydrophobicContact CB-CG1 4.32Å; R361-V668 HydrophobicContact CG-CG1 3.19Å; R361-V668 PolarHBondContact NE-O 3.45Å; R361-V668 PolarHBondContact NH2-O 3.38Å; R361-V668 VanDerWaalsContact NH2-O 3.07Å; L472-V668 WeakPolarHBondContact O-CG2 3.28Å; P666-V668 PolarHBondContact O-N 2.77Å; P666-V668 VanDerWaalsContact O-N 3.13Å
669	G	64	Low	72.7	Confident	20 Å²	20	33.8 Å²	33.8	21%	0.206	22%	0.215	C	C	.	.			trans	66.9	175.1	-168.1	0	0	0	0	0	112.9	P666 A667	P666-G669 WeakPolarHBondContact O-CA 3.44Å; P666-G669 PolarHBondContact O-N 3.42Å; A667-G669 VanDerWaalsContact C-N 3.3Å
670	L	71.1	Confident	72.8	Confident	23 Å²	23	36.7 Å²	36.7	12%	0.12	23%	0.229	C	C	.	.			trans	-82.3	135.7	179.7	-65.7	167.4	0	0	0	110.9	T660 L665 P666 P672 P674	T660-L670 HydrophobicContact CG2-CD1 3.54Å; L665-L670 HydrophobicContact CD2-CD1 3.75Å; L665-L670 HydrophobicContact CD2-CG 4.15Å; P666-L670 HydrophobicContact CG-CD2 4.28Å; L670-P672 CarbonylContact C-O 3.49Å; L670-P672 CarbonylContact O-C 3.56Å; L670-P674 HydrophobicContact CB-CG 4.19Å; L670-P674 HydrophobicContact CD1-CG 3.53Å
671	C	60.9	Low	72.6	Confident	105 Å²	105	41.3 Å²	41.3	71%	0.709	25%	0.249	S	C	*	.	S	Bend	trans	-130.6	119.5	176.2	-165.3	0	0	0	0	110
672	P	71.1	Confident	72	Confident	57 Å²	57	44.4 Å²	44.4	37%	0.37	26%	0.258	S	S	.	.	S	Bend	cis	-67.3	158.2	-1	30	-36.2	0	0	0	113	L670 T707 N708	L670-P672 CarbonylContact C-O 3.49Å; L670-P672 CarbonylContact O-C 3.56Å; P672-T707 WeakPolarHBondContact CG-O 3.32Å; P672-N708 PolarHBondContact O-ND2 3.43Å
673	P	75.6	Confident	71.1	Confident	86 Å²	86	54.9 Å²	54.9	56%	0.558	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-60.3	141.8	177.8	24.5	-33.1	0	0	0	110.9
674	P	84.9	Confident	70	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.039	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-60.5	140.8	-178.5	-22.4	32.7	0	0	0	112.4	L614 F615 T616 L670 N708	L614-P674 HydrophobicContact CB-CG 4.27Å; L614-P674 WeakPolarHBondContact O-CD 3.47Å; F615-P674 WeakPolarHBondContact CA-O 3.27Å; F615-P674 HydrophobicContact CD1-CB 3.42Å; F615-P674 VanDerWaalsContact CD1-CB 3.42Å; F615-P674 HydrophobicContact CE1-CB 3.34Å; F615-P674 HydrophobicContact CG-CB 4.12Å; F615-P674 HydrophobicContact CZ-CB 3.99Å; T616-P674 PolarHBondContact N-O 2.84Å; L670-P674 HydrophobicContact CB-CG 4.19Å; L670-P674 HydrophobicContact CD1-CG 3.53Å; P674-N708 WeakPolarHBondContact CA-O 3.43Å; P674-N708 HydrophobicContact CB-CB 4.22Å; P674-N708 HydrophobicContact CG-CB 4.21Å
675	S	87.4	Confident	68.8	Low	22 Å²	22	63.2 Å²	63.2	15%	0.154	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.8	-179.2	53.7	0	0	0	0	112.3	T616 N708 H709 L710	T616-S675 CarbonylContact O-C 3.59Å; T616-S675 VanDerWaalsContact O-CA 3.28Å; T616-S675 WeakPolarHBondContact O-CA 3.43Å; S675-N708 PolarHBondContact N-O 3.49Å; S675-H709 WeakPolarHBondContact O-CA 3.35Å; S675-H709 PolarHBondContact O-ND1 2.92Å; S675-H709 PolarHBondContact OG-ND1 3.2Å; S675-L710 PolarHBondContact O-N 2.81Å
676	I	90.5	Very high	67.7	Low	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.6	178.3	-64.4	-171.7	0	0	0	110.1	F615 T616 M617 N618 W636 L710 L712	F615-I676 HydrophobicContact CB-CD1 3.94Å; F615-I676 HydrophobicContact CB-CG1 3.94Å; F615-I676 HydrophobicContact CD1-CD1 3.98Å; F615-I676 HydrophobicContact CD1-CG1 3.56Å; F615-I676 HydrophobicContact CD2-CD1 4.48Å; F615-I676 HydrophobicContact CE1-CG1 4.32Å; F615-I676 HydrophobicContact CG-CD1 3.87Å; F615-I676 HydrophobicContact CG-CG1 3.89Å; T616-I676 PolarHBondContact O-N 3.41Å; M617-I676 HydrophobicContact CE-CB 4.35Å; M617-I676 HydrophobicContact CE-CD1 3.67Å; M617-I676 HydrophobicContact CE-CG1 4.25Å; M617-I676 HydrophobicContact SD-CB 3.71Å; M617-I676 HydrophobicContact SD-CD1 3.99Å; M617-I676 HydrophobicContact SD-CG1 4.25Å; M617-I676 HydrophobicContact SD-CG2 3.98Å; N618-I676 WeakPolarHBondContact CB-O 3.49Å; N618-I676 PolarHBondContact N-O 2.87Å; W636-I676 HydrophobicContact CD2-CD1 4.02Å; W636-I676 HydrophobicContact CG-CD1 4.42Å; W636-I676 HydrophobicContact CH2-CD1 4.4Å; W636-I676 HydrophobicContact CZ2-CD1 3.9Å; I676-L710 CarbonylContact C-O 3.57Å; I676-L710 VanDerWaalsContact CA-O 3.25Å; I676-L710 WeakPolarHBondContact CA-O 3.49Å; I676-L710 HydrophobicContact CD1-CD2 4.11Å; I676-L710 HydrophobicContact CG1-CB 4.24Å; I676-L710 HydrophobicContact CG1-CD2 4.36Å; I676-L712 HydrophobicContact CD1-CD1 4.19Å; I676-L712 HydrophobicContact CG2-CB 4.43Å; I676-L712 HydrophobicContact CG2-CD1 3.57Å; I676-L712 HydrophobicContact CG2-CG 3.71Å
677	S	89.7	Confident	66.4	Low	23 Å²	23	77.7 Å²	77.7	16%	0.161	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	171.4	168.1	-67	0	0	0	0	109.9	N618 H709 L710 L711 L712	N618-S677 WeakPolarHBondContact CB-OG 3.4Å; S677-H709 PolarHBondContact OG-CE1 3.35Å; S677-L710 PolarHBondContact N-O 3.15Å; S677-L711 CarbonylContact O-C 3.38Å; S677-L711 WeakPolarHBondContact O-CA 3.43Å; S677-L712 PolarHBondContact O-N 3.35Å
678	F	88.5	Confident	65.5	Low	15 Å²	15	85.7 Å²	85.7	7%	0.066	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.4	-168.5	-55.7	-85.4	0	0	0	111.8	N618 F619 E629 I632 V633 H680 L712 V714	N618-F678 WeakPolarHBondContact O-CE2 3.26Å; F619-F678 AromaticContact CD1-CE2 4Å; F619-F678 HydrophobicContact CD1-CE2 4Å; F619-F678 HydrophobicContact CD1-CZ 4.48Å; F619-F678 HydrophobicContact CE1-CE2 4.2Å; F619-F678 HydrophobicContact CE1-CZ 4.23Å; F619-F678 HydrophobicContact CG-CE2 4.48Å; E629-F678 HydrophobicContact CB-CD1 4.06Å; E629-F678 HydrophobicContact CB-CD2 3.7Å; E629-F678 HydrophobicContact CB-CE1 4.17Å; E629-F678 HydrophobicContact CB-CE2 3.81Å; E629-F678 HydrophobicContact CB-CG 3.83Å; E629-F678 HydrophobicContact CB-CZ 4.05Å; E629-F678 HydrophobicContact CG-CB 3.73Å; E629-F678 HydrophobicContact CG-CD1 4.19Å; E629-F678 HydrophobicContact CG-CD2 3.47Å; E629-F678 VanDerWaalsContact CG-CD2 3.47Å; E629-F678 HydrophobicContact CG-CE2 4.1Å; E629-F678 HydrophobicContact CG-CG 3.52Å; E629-F678 WeakPolarHBondContact OE1-CD2 3.4Å; I632-F678 HydrophobicContact CB-CD1 4.04Å; I632-F678 HydrophobicContact CB-CE1 3.86Å; I632-F678 HydrophobicContact CG2-CD1 3.97Å; I632-F678 HydrophobicContact CG2-CE1 3.93Å; V633-F678 HydrophobicContact CG2-CE1 4.07Å; V633-F678 HydrophobicContact CG2-CZ 3.63Å; F678-H680 PolarHBondContact O-N 3.04Å; F678-H680 PolarHBondContact O-ND1 3.13Å; F678-H680 VanDerWaalsContact O-ND1 3.13Å; F678-L712 CarbonylContact C-O 3.59Å; F678-L712 WeakPolarHBondContact CA-O 3.38Å; F678-L712 HydrophobicContact CD1-CB 4.43Å; F678-V714 HydrophobicContact CB-CG2 3.81Å
679	L	85.4	Confident	64.8	Low	24 Å²	24	92.7 Å²	92.7	13%	0.126	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	108	173.7	-62.2	169.8	0	0	0	108.8	F700 Q702 L711 L712 V714	L679-F700 VanDerWaalsContact CD1-O 3.32Å; L679-F700 WeakPolarHBondContact CD1-O 3.48Å; L679-Q702 HydrophobicContact CD1-CB 4.37Å; L679-Q702 HydrophobicContact CD1-CG 3.91Å; L679-L711 HydrophobicContact CD1-CB 3.91Å; L679-L711 HydrophobicContact CD2-CB 3.77Å; L679-L711 HydrophobicContact CD2-CD1 4.13Å; L679-L711 HydrophobicContact CD2-CD2 4.15Å; L679-L711 HydrophobicContact CD2-CG 4.25Å; L679-L711 HydrophobicContact CG-CB 3.7Å; L679-L712 PolarHBondContact N-O 3Å; L679-V714 WeakPolarHBondContact O-CB 3.48Å; L679-V714 WeakPolarHBondContact O-CG2 3.32Å; L679-V714 PolarHBondContact O-N 3.37Å
680	H	80	Confident	63.4	Low	61 Å²	61	99.2 Å²	99.2	28%	0.282	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-87.4	128.6	172.6	-61.6	77.5	0	0	0	108.2	E629 F678 V682	E629-H680 IonicContact OE1-CE1 3.79Å; E629-H680 PolarHBondContact OE1-CE1 2.74Å; E629-H680 IonicContact OE1-NE2 3.49Å; F678-H680 PolarHBondContact O-N 3.04Å; F678-H680 PolarHBondContact O-ND1 3.13Å; F678-H680 VanDerWaalsContact O-ND1 3.13Å; H680-V682 PolarHBondContact O-N 2.96Å; H680-V682 VanDerWaalsContact O-N 3.14Å
681	H	65.1	Low	61.5	Low	114 Å²	114	102.9 Å²	102.9	53%	0.528	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-63.2	118.3	171.8	-151.5	-59.7	0	0	0	108.2	R683	H681-R683 PolarHBondContact O-N 2.67Å; H681-R683 VanDerWaalsContact O-N 3.16Å
682	V	56.1	Low	60.5	Low	113 Å²	113	105 Å²	105	69%	0.685	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-64.1	119.3	169.5	-179.5	0	0	0	0	106.3	H680 L684	H680-V682 PolarHBondContact O-N 2.96Å; H680-V682 VanDerWaalsContact O-N 3.14Å; V682-L684 PolarHBondContact O-N 3.43Å
683	R	44.6	Very low	58.6	Low	224 Å²	224	109.6 Å²	109.6	85%	0.845	56%	0.561	S	S	*	*			trans	-69.5	115.7	165.1	-80.3	-174.2	173.3	-178.8	-0.7	106.4	H681 E685	H681-R683 PolarHBondContact O-N 2.67Å; H681-R683 VanDerWaalsContact O-N 3.16Å; R683-E685 PolarHBondContact O-N 3.43Å
684	L	41.4	Very low	56.6	Low	167 Å²	167	117.7 Å²	117.7	87%	0.874	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	79.1	170.9	-76.2	157.5	0	0	0	110.2	V682	V682-L684 PolarHBondContact O-N 3.43Å
685	E	40.4	Very low	54.3	Low	178 Å²	178	126.8 Å²	126.8	83%	0.832	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	-12.1	161.8	-72.4	-171.3	164.1	0	0	113.6	R683	R683-E685 PolarHBondContact O-N 3.43Å
686	E	42.4	Very low	52.4	Low	181 Å²	181	130.2 Å²	130.2	85%	0.846	63%	0.632	S	S	*	*	S	Bend	trans	-138.6	76.4	177.9	-67.6	-175	170.9	0	0	112.4
687	Q	35.8	Very low	50.7	Low	193 Å²	193	135.9 Å²	135.9	90%	0.902	66%	0.662	S	S	*	*			trans	-179.3	92.5	143.2	-100.1	168.7	24.6	0	0	108.9
688	M	41.4	Very low	49.3	Very low	172 Å²	172	135.1 Å²	135.1	85%	0.847	66%	0.657	S	S	*	*			trans	-77.7	141.1	153.8	-79.7	-178.9	63.2	0	0	108.3
689	E	43.4	Very low	48.4	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	68%	0.675	S	S	*	*	S	Bend	trans	98.1	99.7	163	-59.3	179.5	-179.1	0	0	117.4
690	N	35.5	Very low	48.3	Very low	157 Å²	157	140 Å²	140	84%	0.84	68%	0.681	S	S	*	*			trans	98	85.1	150.3	-53.5	-36.2	0	0	0	118.3
691	A	31.3	Very low	48.5	Very low	100 Å²	100	137.4 Å²	137.4	83%	0.826	67%	0.67	S	S	*	*				-179.5	129.3	122.7	0	0	0	0	0	109.9	E693	A691-E693 PolarHBondContact O-N 3.36Å
692	V	39.3	Very low	49.5	Very low	148 Å²	148	135.3 Å²	135.3	90%	0.897	66%	0.661	S	S	*	*			trans	-88.9	93.3	171.2	177.1	0	0	0	0	107.3
693	E	32.6	Very low	50.7	Low	154 Å²	154	131.4 Å²	131.4	72%	0.72	64%	0.638	S	S	*	*			trans	-147.5	117.6	150.2	-71.6	-160.6	164.4	0	0	108.2	A691 W695	A691-E693 PolarHBondContact O-N 3.36Å; E693-W695 PolarHBondContact O-N 3.14Å
694	W	33.6	Very low	52.4	Low	257 Å²	257	126 Å²	126	97%	0.973	62%	0.621	S	S	*	*			trans	-78.4	102.8	179.2	-116.4	57.3	0	0	0	109.2
695	W	36.8	Very low	53.6	Low	196 Å²	196	120.7 Å²	120.7	74%	0.742	60%	0.596	S	S	*	*			trans	-123.7	134.4	165.3	-68.1	55.1	0	0	0	107.3	E693 D697	E693-W695 PolarHBondContact O-N 3.14Å; W695-D697 PolarHBondContact O-N 3.17Å
696	D	47	Very low	54.8	Low	95 Å²	95	116.9 Å²	116.9	51%	0.508	59%	0.594	S	S	.	*			trans	-63	69.9	179.6	-98.7	-31	0	0	0	111.3	G698 F700	D696-G698 PolarHBondContact O-N 3.43Å; D696-F700 HydrophobicContact CB-CD2 4.15Å; D696-F700 HydrophobicContact CB-CE2 4.48Å; D696-F700 WeakPolarHBondContact OD2-CE2 3.44Å
697	D	53.4	Low	56.3	Low	118 Å²	118	111.4 Å²	111.4	63%	0.631	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	91.2	-172.8	-90.7	-17.3	0	0	0	111.4	W695	W695-D697 PolarHBondContact O-N 3.17Å
698	G	60.6	Low	58.4	Low	7 Å²	7	102.8 Å²	102.8	7%	0.072	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	112.5	0.8	167.7	0	0	0	0	0	116.3	D696 P713	D696-G698 PolarHBondContact O-N 3.43Å; G698-P713 WeakPolarHBondContact O-CB 3.48Å
699	L	69.7	Low	60.4	Low	84 Å²	84	96.1 Å²	96.1	44%	0.44	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-28	179.9	-73	171.2	0	0	0	114	S724	L699-S724 WeakPolarHBondContact O-CB 3.35Å
700	F	83.4	Confident	62.5	Low	57 Å²	57	88.3 Å²	88.3	25%	0.25	46%	0.464	C	S	.	.	S	Bend	trans	-120.3	151.8	-179.1	-66.2	-78.1	0	0	0	111	L679 D696 Q727 A728	L679-F700 VanDerWaalsContact CD1-O 3.32Å; L679-F700 WeakPolarHBondContact CD1-O 3.48Å; D696-F700 HydrophobicContact CB-CD2 4.15Å; D696-F700 HydrophobicContact CB-CE2 4.48Å; D696-F700 WeakPolarHBondContact OD2-CE2 3.44Å; F700-Q727 HydrophobicContact CE1-CB 4.13Å; F700-Q727 HydrophobicContact CE1-CG 4.06Å; F700-A728 HydrophobicContact CB-CB 4.37Å; F700-A728 HydrophobicContact CD1-CB 4.35Å
701	P	85.8	Confident	65	Low	8 Å²	8	81.9 Å²	81.9	5%	0.052	43%	0.429	C	S	.	.			trans	-63.9	142.8	174.1	30.7	-38.8	0	0	0	111.4	L710 L711 S724 M725 A728	P701-L710 HydrophobicContact CB-CD1 4.25Å; P701-L711 CarbonylContact C-O 3.48Å; P701-L711 WeakPolarHBondContact CA-O 3.32Å; P701-S724 WeakPolarHBondContact CD-O 3.47Å; P701-M725 HydrophobicContact CB-SD 3.62Å; P701-M725 HydrophobicContact CG-SD 3.58Å; P701-M725 VanDerWaalsContact CG-SD 3.58Å; P701-A728 HydrophobicContact CG-CB 3.51Å
702	Q	84.3	Confident	67.8	Low	70 Å²	70	77.1 Å²	77.1	33%	0.327	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.1	176.2	-59.6	176.2	0.8	0	0	109.6	L679 L711	L679-Q702 HydrophobicContact CD1-CB 4.37Å; L679-Q702 HydrophobicContact CD1-CG 3.91Å; Q702-L711 HydrophobicContact CB-CB 4.08Å; Q702-L711 HydrophobicContact CB-CD1 4.18Å; Q702-L711 PolarHBondContact N-O 3.47Å; Q702-L711 WeakPolarHBondContact O-CB 3.43Å; Q702-L711 PolarHBondContact O-N 2.58Å
703	C	82.3	Confident	70.2	Confident	30 Å²	30	70 Å²	70	20%	0.203	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.9	174.1	67.7	0	0	0	0	111.4	F658	F658-C703 HydrophobicContact CD1-CB 4.09Å; F658-C703 HydrophobicContact CE1-CB 3.73Å; F658-C703 HydrophobicContact CE2-CB 4.38Å; F658-C703 HydrophobicContact CZ-CB 3.89Å; F658-C703 WeakPolarHBondContact O-CB 3.37Å; F658-C703 PolarHBondContact O-SG 2.92Å
704	K	79.2	Confident	72.7	Confident	112 Å²	112	64.4 Å²	64.4	49%	0.487	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	88	168.2	-65	179.1	-177.8	176.6	0	108	A706 T707 N708 H709	K704-A706 VanDerWaalsContact C-N 3.29Å; K704-A706 PolarHBondContact O-N 2.92Å; K704-T707 WeakPolarHBondContact CB-OG1 3.49Å; K704-T707 CarbonylContact O-C 3.54Å; K704-T707 PolarHBondContact O-N 3.16Å; K704-T707 VanDerWaalsContact O-N 3.07Å; K704-T707 PolarHBondContact O-OG1 3.07Å; K704-N708 PolarHBondContact O-N 3.47Å; K704-N708 VanDerWaalsContact O-N 3.13Å; K704-H709 HydrophobicContact CB-CB 4.26Å; K704-H709 PolarHBondContact N-O 3.06Å; K704-H709 PolarHBondContact O-N 3.18Å
705	P	68.4	Low	75.2	Confident	55 Å²	55	53.6 Å²	53.6	36%	0.357	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.2	-37.5	-173.8	-27	35.3	0	0	0	113.9	V659 T707 N708	V659-P705 WeakPolarHBondContact O-CA 3.42Å; P705-T707 PolarHBondContact O-N 3.48Å; P705-T707 VanDerWaalsContact O-N 3.09Å; P705-N708 PolarHBondContact O-N 3.41Å; P705-N708 VanDerWaalsContact O-N 3.13Å; P705-N708 PolarHBondContact O-OD1 3.44Å
706	A	65.6	Low	77.5	Confident	97 Å²	97	49.9 Å²	49.9	80%	0.802	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-61.8	-20.2	178.8	0	0	0	0	0	114.4	K704	K704-A706 VanDerWaalsContact C-N 3.29Å; K704-A706 PolarHBondContact O-N 2.92Å
707	T	73	Confident	79.5	Confident	67 Å²	67	48.6 Å²	48.6	41%	0.411	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-118.9	9.2	178.4	57.4	0	0	0	0	112.5	P672 K704 P705 H709	P672-T707 WeakPolarHBondContact CG-O 3.32Å; K704-T707 WeakPolarHBondContact CB-OG1 3.49Å; K704-T707 CarbonylContact O-C 3.54Å; K704-T707 PolarHBondContact O-N 3.16Å; K704-T707 VanDerWaalsContact O-N 3.07Å; K704-T707 PolarHBondContact O-OG1 3.07Å; P705-T707 PolarHBondContact O-N 3.48Å; P705-T707 VanDerWaalsContact O-N 3.09Å; T707-H709 PolarHBondContact O-N 2.98Å; T707-H709 VanDerWaalsContact O-N 3.11Å; T707-H709 WeakPolarHBondContact OG1-CB 3.38Å
708	N	80.3	Confident	81.2	Confident	11 Å²	11	45 Å²	45	6%	0.059	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	39.2	-173	-60.7	-43.4	0	0	0	112.8	P672 P674 S675 K704 P705	P672-N708 PolarHBondContact O-ND2 3.43Å; P674-N708 WeakPolarHBondContact CA-O 3.43Å; P674-N708 HydrophobicContact CB-CB 4.22Å; P674-N708 HydrophobicContact CG-CB 4.21Å; S675-N708 PolarHBondContact N-O 3.49Å; K704-N708 PolarHBondContact O-N 3.47Å; K704-N708 VanDerWaalsContact O-N 3.13Å; P705-N708 PolarHBondContact O-N 3.41Å; P705-N708 VanDerWaalsContact O-N 3.13Å; P705-N708 PolarHBondContact O-OD1 3.44Å
709	H	82.5	Confident	82.6	Confident	32 Å²	32	53 Å²	53	15%	0.148	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.4	-170.5	-170	72.2	0	0	0	110.9	S675 S677 K704 T707	S675-H709 WeakPolarHBondContact O-CA 3.35Å; S675-H709 PolarHBondContact O-ND1 2.92Å; S675-H709 PolarHBondContact OG-ND1 3.2Å; S677-H709 PolarHBondContact OG-CE1 3.35Å; K704-H709 HydrophobicContact CB-CB 4.26Å; K704-H709 PolarHBondContact N-O 3.06Å; K704-H709 PolarHBondContact O-N 3.18Å; T707-H709 PolarHBondContact O-N 2.98Å; T707-H709 VanDerWaalsContact O-N 3.11Å; T707-H709 WeakPolarHBondContact OG1-CB 3.38Å
710	L	88.9	Confident	83.3	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.3	178.9	174.4	64.8	0	0	0	110.1	F615 W636 F658 V659 S675 I676 S677 P701 L712	F615-L710 HydrophobicContact CE1-CB 4.5Å; W636-L710 HydrophobicContact CH2-CD2 3.88Å; W636-L710 HydrophobicContact CZ3-CD2 3.82Å; F658-L710 HydrophobicContact CD1-CD1 4.37Å; F658-L710 HydrophobicContact CE1-CD1 3.9Å; V659-L710 HydrophobicContact CG1-CB 3.98Å; V659-L710 HydrophobicContact CG2-CB 4.05Å; V659-L710 HydrophobicContact CG2-CD1 4.11Å; V659-L710 HydrophobicContact CG2-CD2 3.87Å; V659-L710 HydrophobicContact CG2-CG 4.23Å; S675-L710 PolarHBondContact O-N 2.81Å; I676-L710 CarbonylContact C-O 3.57Å; I676-L710 VanDerWaalsContact CA-O 3.25Å; I676-L710 WeakPolarHBondContact CA-O 3.49Å; I676-L710 HydrophobicContact CD1-CD2 4.11Å; I676-L710 HydrophobicContact CG1-CB 4.24Å; I676-L710 HydrophobicContact CG1-CD2 4.36Å; S677-L710 PolarHBondContact N-O 3.15Å; P701-L710 HydrophobicContact CB-CD1 4.25Å; L710-L712 HydrophobicContact CD1-CD2 4.46Å; L710-L712 HydrophobicContact CD2-CD2 3.79Å; L710-L712 HydrophobicContact CD2-CG 4.46Å; L710-L712 HydrophobicContact CG-CD2 3.99Å; L710-L712 HydrophobicContact CG-CG 4.44Å
711	L	87.9	Confident	83.6	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.7	179.1	-72.6	163.3	0	0	0	108.6	S677 L679 P701 Q702	S677-L711 CarbonylContact O-C 3.38Å; S677-L711 WeakPolarHBondContact O-CA 3.43Å; L679-L711 HydrophobicContact CD1-CB 3.91Å; L679-L711 HydrophobicContact CD2-CB 3.77Å; L679-L711 HydrophobicContact CD2-CD1 4.13Å; L679-L711 HydrophobicContact CD2-CD2 4.15Å; L679-L711 HydrophobicContact CD2-CG 4.25Å; L679-L711 HydrophobicContact CG-CB 3.7Å; P701-L711 CarbonylContact C-O 3.48Å; P701-L711 WeakPolarHBondContact CA-O 3.32Å; Q702-L711 HydrophobicContact CB-CB 4.08Å; Q702-L711 HydrophobicContact CB-CD1 4.18Å; Q702-L711 PolarHBondContact N-O 3.47Å; Q702-L711 WeakPolarHBondContact O-CB 3.43Å; Q702-L711 PolarHBondContact O-N 2.58Å
712	L	90	Very high	83.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	134.4	-176.1	-69.1	-175.8	0	0	0	111.9	I632 W636 I676 S677 F678 L679 L710 V714 F721 M725	I632-L712 HydrophobicContact CG2-CB 4.09Å; I632-L712 HydrophobicContact CG2-CD1 4.13Å; W636-L712 HydrophobicContact CB-CD1 4.01Å; W636-L712 HydrophobicContact CD2-CD1 4.36Å; W636-L712 HydrophobicContact CE3-CD1 4.26Å; W636-L712 HydrophobicContact CE3-CD2 4.17Å; W636-L712 HydrophobicContact CG-CD1 4.28Å; W636-L712 HydrophobicContact CZ3-CD2 4.48Å; I676-L712 HydrophobicContact CD1-CD1 4.19Å; I676-L712 HydrophobicContact CG2-CB 4.43Å; I676-L712 HydrophobicContact CG2-CD1 3.57Å; I676-L712 HydrophobicContact CG2-CG 3.71Å; S677-L712 PolarHBondContact O-N 3.35Å; F678-L712 CarbonylContact C-O 3.59Å; F678-L712 WeakPolarHBondContact CA-O 3.38Å; F678-L712 HydrophobicContact CD1-CB 4.43Å; L679-L712 PolarHBondContact N-O 3Å; L710-L712 HydrophobicContact CD1-CD2 4.46Å; L710-L712 HydrophobicContact CD2-CD2 3.79Å; L710-L712 HydrophobicContact CD2-CG 4.46Å; L710-L712 HydrophobicContact CG-CD2 3.99Å; L710-L712 HydrophobicContact CG-CG 4.44Å; L712-V714 PolarHBondContact O-N 3.5Å; L712-F721 HydrophobicContact CB-CE2 4.28Å; L712-F721 HydrophobicContact CD1-CE2 4.27Å; L712-F721 HydrophobicContact CD1-CZ 4.16Å; L712-F721 HydrophobicContact CD2-CE2 4.15Å; L712-F721 HydrophobicContact CD2-CZ 4.03Å; L712-F721 HydrophobicContact CG-CE2 4.48Å; L712-M725 HydrophobicContact CD2-CE 4.04Å; L712-M725 HydrophobicContact CD2-SD 3.71Å
713	P	88.7	Confident	84	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.2	176.8	29.1	-33.4	0	0	0	111.7	G698 T715 S724	G698-P713 WeakPolarHBondContact O-CB 3.48Å; P713-T715 HydrophobicContact CB-CG2 4.11Å; P713-T715 HydrophobicContact CG-CG2 4.34Å; P713-T715 PolarHBondContact O-N 3.35Å; P713-T715 VanDerWaalsContact O-N 3.16Å; P713-S724 WeakPolarHBondContact CG-OG 3.41Å
714	V	86.4	Confident	84.4	Confident	36 Å²	36	48.1 Å²	48.1	22%	0.218	28%	0.283	C	S	.	.			trans	-77.7	99.9	173	-179.8	0	0	0	0	109	L628 I632 F678 L679 L712	L628-V714 HydrophobicContact CB-CG1 3.98Å; I632-V714 HydrophobicContact CD1-CG1 4.43Å; I632-V714 HydrophobicContact CG1-CB 4.48Å; I632-V714 HydrophobicContact CG1-CG1 4.3Å; I632-V714 HydrophobicContact CG1-CG2 4.39Å; F678-V714 HydrophobicContact CB-CG2 3.81Å; L679-V714 WeakPolarHBondContact O-CB 3.48Å; L679-V714 WeakPolarHBondContact O-CG2 3.32Å; L679-V714 PolarHBondContact O-N 3.37Å; L712-V714 PolarHBondContact O-N 3.5Å
715	T	85.9	Confident	84.9	Confident	30 Å²	30	42.8 Å²	42.8	18%	0.184	26%	0.259	C	S	.	.			trans	-111.3	155.9	-178.7	68.5	0	0	0	0	112.3	I632 P713 T717 F721	I632-T715 WeakPolarHBondContact CD1-O 3.49Å; P713-T715 HydrophobicContact CB-CG2 4.11Å; P713-T715 HydrophobicContact CG-CG2 4.34Å; P713-T715 PolarHBondContact O-N 3.35Å; P713-T715 VanDerWaalsContact O-N 3.16Å; T715-T717 PolarHBondContact OG1-O 2.79Å; T715-F721 WeakPolarHBondContact OG1-CB 3.49Å; T715-F721 PolarHBondContact OG1-N 3.33Å
716	S	83.9	Confident	85.9	Confident	117 Å²	117	42 Å²	42	82%	0.818	25%	0.251	S	S	*	.	S	Bend	trans	-79.5	-15.4	-178	55.9	0	0	0	0	114.4
717	T	89	Confident	86.9	Confident	69 Å²	69	42.7 Å²	42.7	42%	0.423	24%	0.238	S	C	.	.	S	Bend	trans	-144.5	148	-177.5	67.3	0	0	0	0	111.7	T715 K719 A720 F721	T715-T717 PolarHBondContact OG1-O 2.79Å; T717-K719 PolarHBondContact O-N 3.02Å; T717-A720 PolarHBondContact O-N 2.94Å; T717-A720 WeakPolarHBondContact OG1-CB 3.47Å; T717-A720 PolarHBondContact OG1-N 3.35Å; T717-F721 PolarHBondContact O-N 3.06Å; T717-F721 VanDerWaalsContact O-N 3.11Å
718	Y	89.7	Confident	87.5	Confident	42 Å²	42	40.4 Å²	40.4	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-37.1	175.9	176.3	-110.7	0	0	0	112.8	F635 H638 F639 E642 A720 F721 K722	F635-Y718 HydrophobicContact CB-CD2 3.81Å; F635-Y718 HydrophobicContact CB-CE2 4.44Å; F635-Y718 AromaticContact CD1-CD2 3.91Å; F635-Y718 HydrophobicContact CD1-CD2 3.91Å; F635-Y718 HydrophobicContact CD1-CG 4.31Å; F635-Y718 AromaticContact CG-CD2 3.93Å; F635-Y718 HydrophobicContact CG-CD2 3.93Å; F635-Y718 WeakPolarHBondContact O-CE2 3.05Å; H638-Y718 HydrophobicContact CB-CE2 3.99Å; H638-Y718 AromaticContact CD2-CD1 3.75Å; H638-Y718 AromaticContact CD2-CD2 3.97Å; H638-Y718 AromaticContact CD2-CE1 3.34Å; H638-Y718 WeakPolarHBondContact CD2-CE1 3.42Å; H638-Y718 AromaticContact CD2-CE2 3.59Å; H638-Y718 AromaticContact CD2-CZ 3.25Å; H638-Y718 AromaticContact CG-CZ 3.99Å; H638-Y718 AromaticContact NE2-CE1 3.76Å; F639-Y718 VanDerWaalsContact CA-OH 3.32Å; F639-Y718 WeakPolarHBondContact CA-OH 3.34Å; F639-Y718 HydrophobicContact CB-CE2 4.16Å; F639-Y718 PolarHBondContact N-OH 3.41Å; E642-Y718 WeakPolarHBondContact OE2-CE1 3.43Å; E642-Y718 PolarHBondContact OE2-OH 3.46Å; Y718-A720 VanDerWaalsContact C-N 3.34Å; Y718-A720 PolarHBondContact O-N 3.23Å; Y718-F721 HydrophobicContact CD2-CD1 4.45Å; Y718-F721 HydrophobicContact CE2-CD1 4.42Å; Y718-F721 WeakPolarHBondContact O-CB 3.36Å; Y718-F721 PolarHBondContact O-N 3.31Å; Y718-K722 HydrophobicContact CE1-CB 4.38Å; Y718-K722 HydrophobicContact CE1-CD 4.14Å; Y718-K722 HydrophobicContact CE2-CB 4.49Å; Y718-K722 WeakPolarHBondContact O-CB 3.24Å; Y718-K722 PolarHBondContact O-N 3.32Å
719	K	88.8	Confident	87.8	Confident	175 Å²	175	39.9 Å²	39.9	76%	0.761	22%	0.222	S	C	*	.	H	α-helix	trans	-63	-40.6	179.9	-172.4	177.9	179.6	-179.1	0	112.1	T717 S723	T717-K719 PolarHBondContact O-N 3.02Å; K719-S723 WeakPolarHBondContact O-CB 3.36Å; K719-S723 PolarHBondContact O-N 2.85Å; K719-S723 VanDerWaalsContact O-N 3.09Å
720	A	86.1	Confident	87.8	Confident	43 Å²	43	40 Å²	40	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-44.6	175.4	0	0	0	0	0	111.1	T717 Y718 S723 S724	T717-A720 PolarHBondContact O-N 2.94Å; T717-A720 WeakPolarHBondContact OG1-CB 3.47Å; T717-A720 PolarHBondContact OG1-N 3.35Å; Y718-A720 VanDerWaalsContact C-N 3.34Å; Y718-A720 PolarHBondContact O-N 3.23Å; A720-S723 PolarHBondContact O-N 3.29Å; A720-S724 PolarHBondContact O-N 2.99Å; A720-S724 PolarHBondContact O-OG 3.27Å
721	F	89.9	Confident	87.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.1	-56.8	173.9	-177.9	-97.2	0	0	0	111.9	I632 F635 W636 F639 L712 T715 T717 Y718 S723 S724 M725	I632-F721 HydrophobicContact CG2-CD2 4.13Å; I632-F721 HydrophobicContact CG2-CE2 3.68Å; I632-F721 HydrophobicContact CG2-CZ 4.48Å; F635-F721 HydrophobicContact CB-CB 4.34Å; F635-F721 HydrophobicContact CB-CD1 3.7Å; F635-F721 HydrophobicContact CB-CD2 4.34Å; F635-F721 HydrophobicContact CB-CE1 4.03Å; F635-F721 HydrophobicContact CB-CG 3.86Å; F635-F721 HydrophobicContact CB-CZ 4.48Å; F635-F721 HydrophobicContact CD2-CB 3.96Å; F635-F721 HydrophobicContact CD2-CG 4.21Å; F635-F721 HydrophobicContact CG-CB 4.49Å; F635-F721 HydrophobicContact CG-CG 4.49Å; W636-F721 HydrophobicContact CB-CZ 4.28Å; F639-F721 HydrophobicContact CB-CE1 4Å; F639-F721 HydrophobicContact CG-CE1 4.34Å; L712-F721 HydrophobicContact CB-CE2 4.28Å; L712-F721 HydrophobicContact CD1-CE2 4.27Å; L712-F721 HydrophobicContact CD1-CZ 4.16Å; L712-F721 HydrophobicContact CD2-CE2 4.15Å; L712-F721 HydrophobicContact CD2-CZ 4.03Å; L712-F721 HydrophobicContact CG-CE2 4.48Å; T715-F721 WeakPolarHBondContact OG1-CB 3.49Å; T715-F721 PolarHBondContact OG1-N 3.33Å; T717-F721 PolarHBondContact O-N 3.06Å; T717-F721 VanDerWaalsContact O-N 3.11Å; Y718-F721 HydrophobicContact CD2-CD1 4.45Å; Y718-F721 HydrophobicContact CE2-CD1 4.42Å; Y718-F721 WeakPolarHBondContact O-CB 3.36Å; Y718-F721 PolarHBondContact O-N 3.31Å; F721-S723 PolarHBondContact O-N 3.28Å; F721-S724 PolarHBondContact O-N 3.06Å; F721-S724 VanDerWaalsContact O-N 3.15Å; F721-S724 PolarHBondContact O-OG 2.79Å; F721-M725 HydrophobicContact CD1-CG 4.17Å; F721-M725 HydrophobicContact CE1-CG 3.82Å; F721-M725 HydrophobicContact CE2-CG 4.34Å; F721-M725 HydrophobicContact CE2-SD 4.45Å; F721-M725 HydrophobicContact CZ-CG 3.91Å; F721-M725 HydrophobicContact CZ-SD 4.12Å; F721-M725 WeakPolarHBondContact O-CG 3.43Å; F721-M725 PolarHBondContact O-N 3.12Å
722	K	90.4	Very high	86.7	Confident	34 Å²	34	47.1 Å²	47.1	15%	0.148	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-49.2	-180	177.3	174.8	-176.4	172	0	111.9	F639 E642 R647 Y718 S724 M725 E726	F639-K722 HydrophobicContact CD2-CB 4.33Å; F639-K722 HydrophobicContact CD2-CG 3.99Å; F639-K722 HydrophobicContact CE2-CG 3.99Å; E642-K722 IonicContact OE1-NZ 2.68Å; E642-K722 PolarHBondContact OE1-NZ 3.41Å; E642-K722 WeakPolarHBondContact OE2-CD 3.35Å; E642-K722 WeakPolarHBondContact OE2-CE 3.28Å; E642-K722 IonicContact OE2-NZ 2.92Å; E642-K722 PolarHBondContact OE2-NZ 2.89Å; R647-K722 PolarHBondContact O-NZ 3.21Å; Y718-K722 HydrophobicContact CE1-CB 4.38Å; Y718-K722 HydrophobicContact CE1-CD 4.14Å; Y718-K722 HydrophobicContact CE2-CB 4.49Å; Y718-K722 WeakPolarHBondContact O-CB 3.24Å; Y718-K722 PolarHBondContact O-N 3.32Å; K722-S724 VanDerWaalsContact C-N 3.29Å; K722-S724 PolarHBondContact O-N 3.1Å; K722-M725 PolarHBondContact O-N 3.16Å; K722-E726 WeakPolarHBondContact CE-OE1 3.45Å; K722-E726 HydrophobicContact CG-CG 4.29Å; K722-E726 IonicContact NZ-OE1 3.18Å; K722-E726 WeakPolarHBondContact O-CG 3.47Å; K722-E726 PolarHBondContact O-N 2.95Å
723	S	88.2	Confident	85.6	Confident	62 Å²	62	48 Å²	48	43%	0.434	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-40	179.8	-170.4	0	0	0	0	112.2	K719 A720 F721 Q727	K719-S723 WeakPolarHBondContact O-CB 3.36Å; K719-S723 PolarHBondContact O-N 2.85Å; K719-S723 VanDerWaalsContact O-N 3.09Å; A720-S723 PolarHBondContact O-N 3.29Å; F721-S723 PolarHBondContact O-N 3.28Å; S723-Q727 VanDerWaalsContact O-CB 3.24Å; S723-Q727 WeakPolarHBondContact O-CB 3.38Å; S723-Q727 PolarHBondContact O-N 3.43Å
724	S	88.9	Confident	84.3	Confident	8 Å²	8	55 Å²	55	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-39.6	177.7	70.5	0	0	0	0	112.4	L699 P701 P713 A720 F721 K722 A728	L699-S724 WeakPolarHBondContact O-CB 3.35Å; P701-S724 WeakPolarHBondContact CD-O 3.47Å; P713-S724 WeakPolarHBondContact CG-OG 3.41Å; A720-S724 PolarHBondContact O-N 2.99Å; A720-S724 PolarHBondContact O-OG 3.27Å; F721-S724 PolarHBondContact O-N 3.06Å; F721-S724 VanDerWaalsContact O-N 3.15Å; F721-S724 PolarHBondContact O-OG 2.79Å; K722-S724 VanDerWaalsContact C-N 3.29Å; K722-S724 PolarHBondContact O-N 3.1Å; S724-A728 WeakPolarHBondContact O-CB 3.38Å; S724-A728 PolarHBondContact O-N 3.01Å
725	M	90.4	Very high	82.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-50.9	177.4	-68.7	-67.2	-64.6	0	0	111.6	W636 F639 P701 L712 F721 K722 Q727 A728 I729	W636-M725 HydrophobicContact CE3-CE 4.19Å; W636-M725 HydrophobicContact CZ3-CE 3.74Å; F639-M725 HydrophobicContact CD1-CE 4.28Å; F639-M725 HydrophobicContact CE1-CB 3.86Å; F639-M725 HydrophobicContact CE1-CE 3.91Å; F639-M725 HydrophobicContact CE1-CG 4.32Å; F639-M725 HydrophobicContact CE2-CB 4.01Å; F639-M725 HydrophobicContact CZ-CB 3.55Å; F639-M725 HydrophobicContact CZ-CG 4.42Å; P701-M725 HydrophobicContact CB-SD 3.62Å; P701-M725 HydrophobicContact CG-SD 3.58Å; P701-M725 VanDerWaalsContact CG-SD 3.58Å; L712-M725 HydrophobicContact CD2-CE 4.04Å; L712-M725 HydrophobicContact CD2-SD 3.71Å; F721-M725 HydrophobicContact CD1-CG 4.17Å; F721-M725 HydrophobicContact CE1-CG 3.82Å; F721-M725 HydrophobicContact CE2-CG 4.34Å; F721-M725 HydrophobicContact CE2-SD 4.45Å; F721-M725 HydrophobicContact CZ-CG 3.91Å; F721-M725 HydrophobicContact CZ-SD 4.12Å; F721-M725 WeakPolarHBondContact O-CG 3.43Å; F721-M725 PolarHBondContact O-N 3.12Å; K722-M725 PolarHBondContact O-N 3.16Å; M725-Q727 VanDerWaalsContact C-N 3.34Å; M725-Q727 PolarHBondContact O-N 3.35Å; M725-A728 PolarHBondContact O-N 3.16Å; M725-I729 HydrophobicContact CE-CD1 3.88Å; M725-I729 WeakPolarHBondContact O-CB 3.45Å; M725-I729 WeakPolarHBondContact O-CG1 3.4Å; M725-I729 PolarHBondContact O-N 3.44Å
726	E	89.5	Confident	81	Confident	37 Å²	37	61 Å²	61	17%	0.173	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-44.5	179.4	-72.9	177.5	157.3	0	0	111.2	F639 S648 S649 K722 S730	F639-E726 HydrophobicContact CE2-CG 3.97Å; F639-E726 HydrophobicContact CZ-CG 4.31Å; S648-E726 VanDerWaalsContact CA-OE1 3.28Å; S648-E726 WeakPolarHBondContact CA-OE1 3.46Å; S648-E726 WeakPolarHBondContact CB-OE1 3.25Å; S648-E726 WeakPolarHBondContact OG-CG 3.29Å; S648-E726 PolarHBondContact OG-OE1 2.9Å; S649-E726 PolarHBondContact N-OE1 3.15Å; S649-E726 WeakPolarHBondContact OG-CG 3.46Å; K722-E726 WeakPolarHBondContact CE-OE1 3.45Å; K722-E726 HydrophobicContact CG-CG 4.29Å; K722-E726 IonicContact NZ-OE1 3.18Å; K722-E726 WeakPolarHBondContact O-CG 3.47Å; K722-E726 PolarHBondContact O-N 2.95Å; E726-S730 WeakPolarHBondContact O-CB 3.24Å; E726-S730 PolarHBondContact O-N 2.84Å
727	Q	87	Confident	79	Confident	113 Å²	113	59.7 Å²	59.7	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-45.3	-179.5	-173.5	173.2	-3.3	0	0	112.1	F700 S723 M725 H731	F700-Q727 HydrophobicContact CE1-CB 4.13Å; F700-Q727 HydrophobicContact CE1-CG 4.06Å; S723-Q727 VanDerWaalsContact O-CB 3.24Å; S723-Q727 WeakPolarHBondContact O-CB 3.38Å; S723-Q727 PolarHBondContact O-N 3.43Å; M725-Q727 VanDerWaalsContact C-N 3.34Å; M725-Q727 PolarHBondContact O-N 3.35Å; Q727-H731 WeakPolarHBondContact O-CB 3.41Å; Q727-H731 PolarHBondContact O-N 3.02Å
728	A	85.6	Confident	76.5	Confident	18 Å²	18	60.6 Å²	60.6	15%	0.149	32%	0.319	C	S	.	.	H	α-helix	trans	-68.1	-45.5	-179.4	0	0	0	0	0	112.4	F700 P701 S724 M725 H732	F700-A728 HydrophobicContact CB-CB 4.37Å; F700-A728 HydrophobicContact CD1-CB 4.35Å; P701-A728 HydrophobicContact CG-CB 3.51Å; S724-A728 WeakPolarHBondContact O-CB 3.38Å; S724-A728 PolarHBondContact O-N 3.01Å; M725-A728 PolarHBondContact O-N 3.16Å; A728-H732 WeakPolarHBondContact O-CB 3.32Å; A728-H732 PolarHBondContact O-N 3.26Å
729	I	85.9	Confident	73.9	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-70.8	-44.9	-178.6	-63.8	172	0	0	0	110.4	I650 D654 V655 F658 M725 H731 H732 M733	I650-I729 HydrophobicContact CB-CG2 4.45Å; I650-I729 HydrophobicContact CD1-CB 3.87Å; I650-I729 HydrophobicContact CD1-CD1 3.41Å; I650-I729 VanDerWaalsContact CD1-CD1 3.41Å; I650-I729 HydrophobicContact CD1-CG1 4.2Å; I650-I729 HydrophobicContact CD1-CG2 3.86Å; I650-I729 HydrophobicContact CG2-CB 4.33Å; I650-I729 HydrophobicContact CG2-CG2 4.14Å; D654-I729 HydrophobicContact CB-CG2 3.95Å; V655-I729 HydrophobicContact CG2-CD1 4.02Å; F658-I729 HydrophobicContact CB-CG1 4.24Å; F658-I729 HydrophobicContact CB-CG2 4.24Å; F658-I729 HydrophobicContact CD1-CD1 4.14Å; F658-I729 HydrophobicContact CD1-CG1 3.73Å; F658-I729 HydrophobicContact CD2-CG1 4.16Å; F658-I729 HydrophobicContact CE1-CG1 4.05Å; F658-I729 HydrophobicContact CE2-CG1 4.45Å; F658-I729 HydrophobicContact CG-CD1 4.48Å; F658-I729 HydrophobicContact CG-CG1 3.78Å; F658-I729 HydrophobicContact CZ-CG1 4.4Å; M725-I729 HydrophobicContact CE-CD1 3.88Å; M725-I729 WeakPolarHBondContact O-CB 3.45Å; M725-I729 WeakPolarHBondContact O-CG1 3.4Å; M725-I729 PolarHBondContact O-N 3.44Å; I729-H731 VanDerWaalsContact C-N 3.35Å; I729-H731 PolarHBondContact O-N 3.11Å; I729-H732 WeakPolarHBondContact O-CB 3.34Å; I729-H732 PolarHBondContact O-N 3.27Å; I729-M733 HydrophobicContact CG2-CE 4.35Å; I729-M733 HydrophobicContact CG2-CG 4.31Å; I729-M733 WeakPolarHBondContact O-CG 3.37Å; I729-M733 PolarHBondContact O-N 3.43Å
730	S	83.5	Confident	70.9	Confident	35 Å²	35	62.4 Å²	62.4	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-42.5	175.9	176.7	0	0	0	0	111.5	E726 H732 M733 H734	E726-S730 WeakPolarHBondContact O-CB 3.24Å; E726-S730 PolarHBondContact O-N 2.84Å; S730-H732 VanDerWaalsContact C-N 3.34Å; S730-H732 PolarHBondContact O-N 3.02Å; S730-M733 PolarHBondContact O-N 3.43Å; S730-H734 WeakPolarHBondContact O-CB 3.3Å; S730-H734 PolarHBondContact O-CD2 2.83Å; S730-H734 VanDerWaalsContact O-CG 3.31Å; S730-H734 PolarHBondContact O-N 2.58Å; S730-H734 PolarHBondContact OG-CD2 3.15Å; S730-H734 PolarHBondContact OG-NE2 3.38Å; S730-H734 VanDerWaalsContact OG-NE2 3.14Å
731	H	81.1	Confident	70.2	Confident	118 Å²	118	63.4 Å²	63.4	55%	0.546	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-39.1	175.8	-172.7	-101.5	0	0	0	112.1	Q727 I729 H734 L735	Q727-H731 WeakPolarHBondContact O-CB 3.41Å; Q727-H731 PolarHBondContact O-N 3.02Å; I729-H731 VanDerWaalsContact C-N 3.35Å; I729-H731 PolarHBondContact O-N 3.11Å; H731-H734 PolarHBondContact O-N 3.09Å; H731-L735 WeakPolarHBondContact CE1-CD1 3.35Å; H731-L735 WeakPolarHBondContact O-CB 2.93Å; H731-L735 WeakPolarHBondContact O-CG 3.44Å; H731-L735 PolarHBondContact O-N 2.86Å
732	H	72.7	Confident	69.1	Low	53 Å²	53	66.7 Å²	66.7	25%	0.245	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-43.4	173	-168.7	-76.6	0	0	0	111.6	F658 A728 I729 S730 F736	F658-H732 HydrophobicContact CD2-CB 3.73Å; F658-H732 AromaticContact CD2-CD2 3.82Å; F658-H732 AromaticContact CD2-CG 3.58Å; F658-H732 AromaticContact CD2-ND1 3.99Å; F658-H732 HydrophobicContact CE2-CB 3.82Å; F658-H732 AromaticContact CE2-CD2 3.75Å; F658-H732 AromaticContact CE2-CG 3.83Å; A728-H732 WeakPolarHBondContact O-CB 3.32Å; A728-H732 PolarHBondContact O-N 3.26Å; I729-H732 WeakPolarHBondContact O-CB 3.34Å; I729-H732 PolarHBondContact O-N 3.27Å; S730-H732 VanDerWaalsContact C-N 3.34Å; S730-H732 PolarHBondContact O-N 3.02Å; H732-F736 AromaticContact CE1-CD2 3.94Å; H732-F736 WeakPolarHBondContact O-CB 3.26Å; H732-F736 VanDerWaalsContact O-CD2 3.22Å; H732-F736 WeakPolarHBondContact O-CD2 3.47Å; H732-F736 PolarHBondContact O-N 2.77Å; H732-F736 VanDerWaalsContact O-N 3.09Å
733	M	67.1	Low	68	Low	19 Å²	19	68.5 Å²	68.5	9%	0.094	40%	0.404	C	S	.	.	H	α-helix	trans	-70.1	-30	177	-64.2	-47.4	123.2	0	0	113.1	D654 H657 F658 I729 S730 F736 P737	D654-M733 HydrophobicContact CB-CG 4.18Å; H657-M733 PolarHBondContact ND1-SD 2.89Å; F658-M733 HydrophobicContact CB-CE 3.86Å; F658-M733 HydrophobicContact CD2-CE 4.39Å; I729-M733 HydrophobicContact CG2-CE 4.35Å; I729-M733 HydrophobicContact CG2-CG 4.31Å; I729-M733 WeakPolarHBondContact O-CG 3.37Å; I729-M733 PolarHBondContact O-N 3.43Å; S730-M733 PolarHBondContact O-N 3.43Å; M733-F736 CarbonylContact O-C 3.57Å; M733-F736 PolarHBondContact O-N 3.49Å; M733-F736 VanDerWaalsContact O-O 3.11Å; M733-P737 VanDerWaalsContact O-CA 3.27Å; M733-P737 WeakPolarHBondContact O-CA 3.42Å; M733-P737 VanDerWaalsContact O-N 3.08Å
734	H	61.3	Low	66.8	Low	145 Å²	145	68.9 Å²	68.9	67%	0.671	40%	0.402	S	S	*	.	H	α-helix	trans	-79.5	-30.3	177.6	-74.3	-50.3	0	0	0	113.8	S730 H731 F736	S730-H734 WeakPolarHBondContact O-CB 3.3Å; S730-H734 PolarHBondContact O-CD2 2.83Å; S730-H734 VanDerWaalsContact O-CG 3.31Å; S730-H734 PolarHBondContact O-N 2.58Å; S730-H734 PolarHBondContact OG-CD2 3.15Å; S730-H734 PolarHBondContact OG-NE2 3.38Å; S730-H734 VanDerWaalsContact OG-NE2 3.14Å; H731-H734 PolarHBondContact O-N 3.09Å; H734-F736 VanDerWaalsContact C-N 3.29Å
735	L	54.3	Low	65.4	Low	108 Å²	108	72.7 Å²	72.7	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-75.6	-22.5	169.5	-72	174.4	0	0	0	112.2	H731	H731-L735 WeakPolarHBondContact CE1-CD1 3.35Å; H731-L735 WeakPolarHBondContact O-CB 2.93Å; H731-L735 WeakPolarHBondContact O-CG 3.44Å; H731-L735 PolarHBondContact O-N 2.86Å
736	F	48.9	Very low	63.7	Low	84 Å²	84	77.5 Å²	77.5	37%	0.368	45%	0.452	S	S	.	.	S	Bend	trans	-132.8	69	-179.4	-56.9	-72.5	0	0	0	110.8	H732 M733 H734 S738	H732-F736 AromaticContact CE1-CD2 3.94Å; H732-F736 WeakPolarHBondContact O-CB 3.26Å; H732-F736 VanDerWaalsContact O-CD2 3.22Å; H732-F736 WeakPolarHBondContact O-CD2 3.47Å; H732-F736 PolarHBondContact O-N 2.77Å; H732-F736 VanDerWaalsContact O-N 3.09Å; M733-F736 CarbonylContact O-C 3.57Å; M733-F736 PolarHBondContact O-N 3.49Å; M733-F736 VanDerWaalsContact O-O 3.11Å; H734-F736 VanDerWaalsContact C-N 3.29Å; F736-S738 PolarHBondContact O-N 3.36Å
737	P	40.5	Very low	61.9	Low	91 Å²	91	80.4 Å²	80.4	59%	0.591	47%	0.472	S	S	*	.			trans	-61.6	126.3	-179.4	24.8	-33.3	0	0	0	110.2	M733 G739	M733-P737 VanDerWaalsContact O-CA 3.27Å; M733-P737 WeakPolarHBondContact O-CA 3.42Å; M733-P737 VanDerWaalsContact O-N 3.08Å; P737-G739 PolarHBondContact O-N 3.27Å; P737-G739 VanDerWaalsContact O-N 3.16Å
738	S	36.3	Very low	60	Low	87 Å²	87	77.9 Å²	77.9	61%	0.608	47%	0.468	S	S	*	.			trans	-56.2	114.9	161.4	32.3	0	0	0	0	107.7	F736 S740	F736-S738 PolarHBondContact O-N 3.36Å; S738-S740 PolarHBondContact O-N 3.2Å
739	G	34.8	Very low	57.8	Low	65 Å²	65	82.9 Å²	82.9	67%	0.67	49%	0.494	S	S	*	.			trans	-60.5	123.8	-177.6	0	0	0	0	0	110.6	P737	P737-G739 PolarHBondContact O-N 3.27Å; P737-G739 VanDerWaalsContact O-N 3.16Å
740	S	27.7	Very low	55.3	Low	190 Å²	190	90.5 Å²	90.5	100%	1.329	54%	0.539	S	S	*	.			trans	-61.5	0	166.8	57.7	0	0	0	0	112.5	S738	S738-S740 PolarHBondContact O-N 3.2Å

Retrieved 740 of 740 residues in 1737.7 ms (Link to these results)

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