A0A087XXT3_POEFO Loading...

DnaJ homolog subfamily C member 10

AlphaFold DB , UniProt , Accession A0A087XXT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 792 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	38.1	Very low	43	Very low	249 Å²	249	180 Å²	180	100%	1.227	90%	0.902	S	S	*	*				0	105.9	0	-76.3	171.2	172.3	0	0	107.6
2	G	40.9	Very low	43.3	Very low	82 Å²	82	174.3 Å²	174.3	85%	0.845	89%	0.888	S	S	*	*			trans	-90.2	148.4	-179.1	0	0	0	0	0	112.2
3	P	43	Very low	43.9	Very low	124 Å²	124	168.2 Å²	168.2	81%	0.805	86%	0.864	S	S	*	*			trans	-118.7	144.6	159.5	30.8	-15.5	0	0	0	112.6
4	R	45.5	Very low	44.4	Very low	251 Å²	251	164.5 Å²	164.5	95%	0.947	85%	0.853	S	S	*	*			trans	-60.6	142.2	179.2	-67.4	169.3	170.3	172.1	-4.3	112.3
5	V	44.4	Very low	44.8	Very low	140 Å²	140	161.9 Å²	161.9	85%	0.848	84%	0.84	S	S	*	*			trans	-125	134.4	161	-179.9	0	0	0	0	109.2
6	V	42.5	Very low	45.4	Very low	126 Å²	126	157.2 Å²	157.2	76%	0.764	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.1	128.6	-171.6	175.3	0	0	0	0	110.9
7	H	39.7	Very low	45.9	Very low	191 Å²	191	155.5 Å²	155.5	88%	0.884	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.8	119.9	165.9	-90.1	-54.9	0	0	0	110.8
8	R	43.4	Very low	46.4	Very low	235 Å²	235	151.1 Å²	151.1	89%	0.887	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-91.7	130.9	164.8	-85.7	-176.6	175.9	-169.6	-0.7	109.8
9	L	46.8	Very low	46.9	Very low	179 Å²	179	149.3 Å²	149.3	94%	0.937	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-69.5	129.7	169.7	-83.5	128.5	0	0	0	111.5
10	L	43.3	Very low	47.8	Very low	176 Å²	176	146.9 Å²	146.9	92%	0.921	78%	0.778	S	S	*	*			trans	-105.8	124.2	162.7	-91.1	149.4	0	0	0	108.6
11	R	45.8	Very low	48.5	Very low	227 Å²	227	147 Å²	147	86%	0.857	77%	0.772	S	S	*	*			trans	-74.4	150.4	-175.6	-77.2	178.9	170.8	179.6	-3.3	112.7	V13	R11-V13 HydrophobicContact CB-CG2 4.42Å; R11-V13 PolarHBondContact O-N 3.05Å
12	P	46.3	Very low	49.7	Very low	112 Å²	112	139.2 Å²	139.2	73%	0.727	74%	0.738	S	S	*	*			trans	-90.5	97.7	177.4	35	-27.4	0	0	0	110
13	V	51.4	Low	50.6	Low	95 Å²	95	141.8 Å²	141.8	58%	0.576	73%	0.726	S	S	*	*			trans	-115.4	-16.7	176.9	-177.8	0	0	0	0	112.1	R11 T16	R11-V13 HydrophobicContact CB-CG2 4.42Å; R11-V13 PolarHBondContact O-N 3.05Å; V13-T16 PolarHBondContact O-OG1 3.41Å
14	T	51	Low	51.3	Low	116 Å²	116	138.1 Å²	138.1	71%	0.712	71%	0.707	S	S	*	*	H	α-helix	trans	-87.5	-24.3	-175.2	45.4	0	0	0	0	114.3	S18	T14-S18 PolarHBondContact O-OG 2.72Å
15	L	49.4	Very low	51.8	Low	126 Å²	126	130.9 Å²	130.9	66%	0.66	69%	0.686	S	S	*	*	H	α-helix	trans	-77.5	-33.1	-179	-139.8	85.1	0	0	0	112.8	L19	L15-L19 PolarHBondContact O-N 3.22Å
16	T	54.3	Low	52.2	Low	86 Å²	86	129.1 Å²	129.1	53%	0.528	67%	0.671	S	S	.	*	H	α-helix	trans	-74.4	-37.1	-177.9	45.7	0	0	0	0	112.5	V13 S18 L19 V20	V13-T16 PolarHBondContact O-OG1 3.41Å; T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 3.33Å; T16-V20 VanDerWaalsContact O-CG2 3.25Å; T16-V20 WeakPolarHBondContact O-CG2 3.26Å; T16-V20 PolarHBondContact O-N 3.48Å
17	L	54.8	Low	52.4	Low	129 Å²	129	127.5 Å²	127.5	68%	0.675	66%	0.658	S	S	*	*	H	α-helix	trans	-64.7	-38.6	176.3	-118.7	88.5	0	0	0	112.3	V20 F21	L17-V20 PolarHBondContact O-N 2.85Å; L17-F21 WeakPolarHBondContact O-CB 3.38Å; L17-F21 PolarHBondContact O-N 2.85Å
18	S	54.9	Low	52.8	Low	76 Å²	76	121.7 Å²	121.7	53%	0.531	64%	0.642	S	S	.	*	H	α-helix	trans	-70.2	-38.9	-179.8	-54.6	0	0	0	0	111.7	T14 T16 F21 V22	T14-S18 PolarHBondContact O-OG 2.72Å; T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 3.49Å; S18-F21 PolarHBondContact O-N 3.24Å; S18-V22 WeakPolarHBondContact O-CB 3.29Å; S18-V22 VanDerWaalsContact O-CG2 3.28Å; S18-V22 WeakPolarHBondContact O-CG2 3.41Å; S18-V22 PolarHBondContact O-N 3.31Å
19	L	55.2	Low	52.7	Low	117 Å²	117	114 Å²	114	61%	0.613	63%	0.629	S	S	*	*	H	α-helix	trans	-67.9	-38.7	174	-104.8	123.2	0	0	0	112.4	L15 T16 F23	L15-L19 PolarHBondContact O-N 3.22Å; T16-L19 PolarHBondContact O-N 3.33Å; L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 PolarHBondContact O-N 3.04Å
20	V	64.5	Low	52.3	Low	101 Å²	101	111.1 Å²	111.1	61%	0.612	62%	0.619	S	S	*	*	H	α-helix	trans	-67.8	-37	176.1	172.3	0	0	0	0	111.3	T16 L17 F23 A24	T16-V20 VanDerWaalsContact O-CG2 3.25Å; T16-V20 WeakPolarHBondContact O-CG2 3.26Å; T16-V20 PolarHBondContact O-N 3.48Å; L17-V20 PolarHBondContact O-N 2.85Å; V20-F23 PolarHBondContact O-N 3.18Å; V20-A24 WeakPolarHBondContact O-CB 3.35Å; V20-A24 PolarHBondContact O-N 3.27Å
21	F	63.5	Low	51.8	Low	149 Å²	149	107.2 Å²	107.2	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-70	-40.9	177	-154.6	-100.9	0	0	0	112	L17 S18 A24 I25	L17-F21 WeakPolarHBondContact O-CB 3.38Å; L17-F21 PolarHBondContact O-N 2.85Å; S18-F21 PolarHBondContact O-N 3.24Å; F21-A24 PolarHBondContact O-N 3.32Å; F21-I25 HydrophobicContact CD1-CD1 3.55Å; F21-I25 HydrophobicContact CD1-CG1 4.37Å; F21-I25 HydrophobicContact CE1-CD1 3.63Å; F21-I25 HydrophobicContact CE1-CG1 4.43Å; F21-I25 WeakPolarHBondContact O-CB 3.27Å; F21-I25 VanDerWaalsContact O-CG1 3.23Å; F21-I25 WeakPolarHBondContact O-CG1 3.37Å; F21-I25 PolarHBondContact O-N 2.85Å
22	V	62.2	Low	51.4	Low	85 Å²	85	100.6 Å²	100.6	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-67.2	-39.8	173.8	171.2	0	0	0	0	111.1	S18 I25 L26	S18-V22 WeakPolarHBondContact O-CB 3.29Å; S18-V22 VanDerWaalsContact O-CG2 3.28Å; S18-V22 WeakPolarHBondContact O-CG2 3.41Å; S18-V22 PolarHBondContact O-N 3.31Å; V22-I25 PolarHBondContact O-N 3.26Å; V22-L26 HydrophobicContact CG1-CD1 3.82Å; V22-L26 WeakPolarHBondContact O-CB 3.34Å; V22-L26 WeakPolarHBondContact O-CD1 3.39Å; V22-L26 PolarHBondContact O-N 3.37Å
23	F	61	Low	51.2	Low	136 Å²	136	104.5 Å²	104.5	60%	0.596	60%	0.604	S	S	*	*	H	α-helix	trans	-68.9	-33.4	175.2	-158.7	-103.8	0	0	0	112.1	L19 V20 L26 L27	L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 PolarHBondContact O-N 3.04Å; V20-F23 PolarHBondContact O-N 3.18Å; F23-L26 PolarHBondContact O-N 2.73Å; F23-L27 HydrophobicContact CD1-CD1 3.43Å; F23-L27 VanDerWaalsContact CD1-CD1 3.43Å; F23-L27 HydrophobicContact CD1-CG 4.33Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.26Å; F23-L27 HydrophobicContact CG-CD1 4.44Å; F23-L27 VanDerWaalsContact O-CB 3.27Å; F23-L27 WeakPolarHBondContact O-CB 3.36Å; F23-L27 WeakPolarHBondContact O-CG 3.03Å; F23-L27 PolarHBondContact O-N 3.4Å
24	A	57.6	Low	51.5	Low	48 Å²	48	106.6 Å²	106.6	40%	0.397	61%	0.608	S	S	.	*	H	α-helix	trans	-71	-36.6	173.1	0	0	0	0	0	112.3	V20 F21 L27 A28	V20-A24 WeakPolarHBondContact O-CB 3.35Å; V20-A24 PolarHBondContact O-N 3.27Å; F21-A24 PolarHBondContact O-N 3.32Å; A24-L27 PolarHBondContact O-N 3.22Å; A24-A28 VanDerWaalsContact O-CB 3.23Å; A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 3.17Å
25	I	56.6	Low	52.4	Low	98 Å²	98	103.6 Å²	103.6	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-68.7	-38.9	171.9	-68.6	166.1	0	0	0	110.6	F21 V22 A28 A29	F21-I25 HydrophobicContact CD1-CD1 3.55Å; F21-I25 HydrophobicContact CD1-CG1 4.37Å; F21-I25 HydrophobicContact CE1-CD1 3.63Å; F21-I25 HydrophobicContact CE1-CG1 4.43Å; F21-I25 WeakPolarHBondContact O-CB 3.27Å; F21-I25 VanDerWaalsContact O-CG1 3.23Å; F21-I25 WeakPolarHBondContact O-CG1 3.37Å; F21-I25 PolarHBondContact O-N 2.85Å; V22-I25 PolarHBondContact O-N 3.26Å; I25-A28 PolarHBondContact O-N 3.04Å; I25-A29 VanDerWaalsContact O-CB 3.32Å; I25-A29 WeakPolarHBondContact O-CB 3.39Å; I25-A29 PolarHBondContact O-N 3.37Å
26	L	51	Low	54.1	Low	103 Å²	103	99 Å²	99	54%	0.539	57%	0.568	S	S	.	*	H	α-helix	trans	-67.3	-39.1	173.4	-94.5	144	0	0	0	112.3	V22 F23 A29 V30	V22-L26 HydrophobicContact CG1-CD1 3.82Å; V22-L26 WeakPolarHBondContact O-CB 3.34Å; V22-L26 WeakPolarHBondContact O-CD1 3.39Å; V22-L26 PolarHBondContact O-N 3.37Å; F23-L26 PolarHBondContact O-N 2.73Å; L26-A29 PolarHBondContact O-N 2.93Å; L26-V30 WeakPolarHBondContact O-CB 3.44Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.01Å
27	L	48.3	Very low	55.9	Low	93 Å²	93	95 Å²	95	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-67.4	-38.9	172.7	-90.2	155.8	0	0	0	112.1	F23 A24 V30 C31	F23-L27 HydrophobicContact CD1-CD1 3.43Å; F23-L27 VanDerWaalsContact CD1-CD1 3.43Å; F23-L27 HydrophobicContact CD1-CG 4.33Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.26Å; F23-L27 HydrophobicContact CG-CD1 4.44Å; F23-L27 VanDerWaalsContact O-CB 3.27Å; F23-L27 WeakPolarHBondContact O-CB 3.36Å; F23-L27 WeakPolarHBondContact O-CG 3.03Å; F23-L27 PolarHBondContact O-N 3.4Å; A24-L27 PolarHBondContact O-N 3.22Å; L27-V30 PolarHBondContact O-N 2.93Å; L27-C31 PolarHBondContact O-N 3.41Å
28	A	47.3	Very low	57.4	Low	68 Å²	68	89 Å²	89	56%	0.562	51%	0.511	S	S	*	.	H	α-helix	trans	-67.5	-36.3	174.9	0	0	0	0	0	111.9	A24 I25 V30 C31	A24-A28 VanDerWaalsContact O-CB 3.23Å; A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 3.17Å; I25-A28 PolarHBondContact O-N 3.04Å; A28-V30 VanDerWaalsContact C-N 3.34Å; A28-C31 PolarHBondContact O-N 3.28Å
29	A	42.2	Very low	59.2	Low	74 Å²	74	91.9 Å²	91.9	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-70.7	-27.6	174.3	0	0	0	0	0	113.1	I25 L26 C31	I25-A29 VanDerWaalsContact O-CB 3.32Å; I25-A29 WeakPolarHBondContact O-CB 3.39Å; I25-A29 PolarHBondContact O-N 3.37Å; L26-A29 PolarHBondContact O-N 2.93Å; A29-C31 VanDerWaalsContact C-N 3.31Å
30	V	38.1	Very low	61	Low	118 Å²	118	88.5 Å²	88.5	72%	0.715	50%	0.499	S	S	*	.	H	α-helix	trans	-80.9	-10.6	174.6	172.7	0	0	0	0	112.4	L26 L27 A28	L26-V30 WeakPolarHBondContact O-CB 3.44Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.01Å; L27-V30 PolarHBondContact O-N 2.93Å; A28-V30 VanDerWaalsContact C-N 3.34Å
31	C	33.5	Very low	62.3	Low	95 Å²	95	84 Å²	84	64%	0.642	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	22.8	-179.6	-72.2	0	0	0	0	114.8	L27 A28 A29 K33	L27-C31 PolarHBondContact O-N 3.41Å; A28-C31 PolarHBondContact O-N 3.28Å; A29-C31 VanDerWaalsContact C-N 3.31Å; C31-K33 PolarHBondContact O-N 2.73Å
32	A	36	Very low	63.7	Low	87 Å²	87	80.1 Å²	80.1	72%	0.719	47%	0.473	S	S	*	.			trans	-71.6	80.8	157.3	0	0	0	0	0	108.3	E34	A32-E34 PolarHBondContact O-N 3.27Å
33	K	43	Very low	65	Low	194 Å²	194	77.6 Å²	77.6	84%	0.843	46%	0.458	S	S	*	.			trans	-62	105.6	164.5	-108.8	-175.6	173.2	-171.2	0	106.4	C31 S35	C31-K33 PolarHBondContact O-N 2.73Å; K33-S35 PolarHBondContact O-N 2.83Å; K33-S35 VanDerWaalsContact O-N 3.09Å
34	E	57.7	Low	66	Low	139 Å²	139	74.4 Å²	74.4	65%	0.65	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-52.1	117.2	157.3	-90.6	171.6	169.3	0	0	106.8	A32 D36	A32-E34 PolarHBondContact O-N 3.27Å; E34-D36 PolarHBondContact O-N 2.03Å
35	S	68.8	Low	66.7	Low	54 Å²	54	77.6 Å²	77.6	38%	0.378	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-66.8	128.7	-177.9	38.5	0	0	0	0	109.5	K33 L40	K33-S35 PolarHBondContact O-N 2.83Å; K33-S35 VanDerWaalsContact O-N 3.09Å; S35-L40 WeakPolarHBondContact OG-CD2 3.44Å
36	D	86.1	Confident	67.3	Low	28 Å²	28	80 Å²	80	15%	0.15	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-58.7	142.4	-179.9	176.3	94	0	0	0	111.4	E34 Y38 E39 L40 R45 Y97	E34-D36 PolarHBondContact O-N 2.03Å; D36-Y38 VanDerWaalsContact C-N 3.29Å; D36-Y38 PolarHBondContact O-N 2.85Å; D36-Y38 WeakPolarHBondContact OD2-CA 3.34Å; D36-Y38 WeakPolarHBondContact OD2-CB 2.99Å; D36-Y38 WeakPolarHBondContact OD2-CD2 3.26Å; D36-Y38 PolarHBondContact OD2-N 2.83Å; D36-E39 HydrophobicContact CB-CB 4.14Å; D36-E39 HydrophobicContact CB-CG 3.95Å; D36-E39 WeakPolarHBondContact O-CB 3.47Å; D36-E39 PolarHBondContact O-N 2.83Å; D36-E39 PolarHBondContact OD2-N 3.49Å; D36-L40 WeakPolarHBondContact O-CG 3.21Å; D36-L40 PolarHBondContact O-N 3Å; D36-R45 IonicContact OD1-CZ 3.2Å; D36-R45 IonicContact OD1-NE 2.76Å; D36-R45 IonicContact OD1-NH2 3.3Å; D36-R45 PolarHBondContact OD1-NH2 3.4Å; D36-Y97 WeakPolarHBondContact CA-OH 3.47Å
37	Y	92.2	Very high	68.4	Low	2 Å²	2	75.3 Å²	75.3	1%	0.008	44%	0.44	C	S	.	.	H	α-helix	trans	-65	-32.4	-175	-73.2	-7.2	0	0	0	112.6	L40 L41 R83 A84 V87 Y97 E102 L105	Y37-L40 HydrophobicContact CD1-CD1 4.03Å; Y37-L40 PolarHBondContact O-N 3.3Å; Y37-L41 WeakPolarHBondContact O-CG 3.32Å; Y37-L41 PolarHBondContact O-N 3.4Å; Y37-L41 VanDerWaalsContact O-N 3.08Å; Y37-R83 PolarHBondContact OH-NE 2.91Å; Y37-R83 PolarHBondContact OH-NH1 2.85Å; Y37-A84 HydrophobicContact CD1-CB 3.81Å; Y37-A84 HydrophobicContact CD2-CB 4.36Å; Y37-A84 HydrophobicContact CE1-CB 4.42Å; Y37-A84 HydrophobicContact CG-CB 3.74Å; Y37-V87 HydrophobicContact CD2-CB 3.95Å; Y37-V87 HydrophobicContact CD2-CG1 3.79Å; Y37-V87 HydrophobicContact CD2-CG2 4.49Å; Y37-V87 HydrophobicContact CE2-CB 3.75Å; Y37-V87 HydrophobicContact CE2-CG1 3.73Å; Y37-V87 HydrophobicContact CE2-CG2 3.79Å; Y37-Y97 AromaticContact CD1-CE2 4Å; Y37-Y97 HydrophobicContact CD1-CE2 4Å; Y37-Y97 AromaticContact CD1-CZ 3.91Å; Y37-Y97 AromaticContact CD2-CD1 3.89Å; Y37-Y97 HydrophobicContact CD2-CD1 3.89Å; Y37-Y97 AromaticContact CD2-CD2 3.49Å; Y37-Y97 HydrophobicContact CD2-CD2 3.49Å; Y37-Y97 VanDerWaalsContact CD2-CD2 3.49Å; Y37-Y97 AromaticContact CD2-CE1 3.8Å; Y37-Y97 HydrophobicContact CD2-CE1 3.8Å; Y37-Y97 AromaticContact CD2-CE2 3.36Å; Y37-Y97 HydrophobicContact CD2-CE2 3.36Å; Y37-Y97 AromaticContact CD2-CG 3.74Å; Y37-Y97 HydrophobicContact CD2-CG 3.74Å; Y37-Y97 AromaticContact CD2-CZ 3.52Å; Y37-Y97 HydrophobicContact CE1-CE2 4.19Å; Y37-Y97 AromaticContact CE2-CD2 3.51Å; Y37-Y97 HydrophobicContact CE2-CD2 3.51Å; Y37-Y97 AromaticContact CE2-CE2 3.51Å; Y37-Y97 HydrophobicContact CE2-CE2 3.51Å; Y37-Y97 HydrophobicContact CE2-CG 4.12Å; Y37-Y97 HydrophobicContact CG-CD1 4.34Å; Y37-Y97 HydrophobicContact CG-CD2 4.23Å; Y37-Y97 AromaticContact CG-CE1 3.79Å; Y37-Y97 HydrophobicContact CG-CE1 3.79Å; Y37-Y97 AromaticContact CG-CE2 3.63Å; Y37-Y97 HydrophobicContact CG-CE2 3.63Å; Y37-Y97 AromaticContact CG-CZ 3.38Å; Y37-Y97 AromaticContact CZ-CE2 3.96Å; Y37-Y97 PolarHBondContact N-OH 2.77Å; Y37-E102 HydrophobicContact CE1-CG 3.95Å; Y37-E102 WeakPolarHBondContact CE1-OE1 3.42Å; Y37-E102 HydrophobicContact CE2-CG 4.47Å; Y37-E102 PolarHBondContact OH-OE1 3.07Å; Y37-L105 HydrophobicContact CE2-CD1 3.64Å
38	Y	86.8	Confident	69.6	Low	3 Å²	3	74.4 Å²	74.4	1%	0.012	44%	0.438	C	S	.	.	H	α-helix	trans	-72	-40.5	176	-59.3	-85.6	0	0	0	110.6	D36 L41 G42 V43 S44 R45 L88 R94 Y97 D98	D36-Y38 VanDerWaalsContact C-N 3.29Å; D36-Y38 PolarHBondContact O-N 2.85Å; D36-Y38 WeakPolarHBondContact OD2-CA 3.34Å; D36-Y38 WeakPolarHBondContact OD2-CB 2.99Å; D36-Y38 WeakPolarHBondContact OD2-CD2 3.26Å; D36-Y38 PolarHBondContact OD2-N 2.83Å; Y38-L41 CarbonylContact O-C 3.49Å; Y38-L41 PolarHBondContact O-N 3.21Å; Y38-G42 PolarHBondContact O-N 3.3Å; Y38-V43 WeakPolarHBondContact CB-O 3.3Å; Y38-V43 HydrophobicContact CD1-CG2 4.06Å; Y38-V43 PolarHBondContact O-N 3.09Å; Y38-S44 WeakPolarHBondContact CD1-O 3.43Å; Y38-R45 HydrophobicContact CD1-CG 4.29Å; Y38-R45 HydrophobicContact CD2-CG 3.58Å; Y38-R45 HydrophobicContact CE2-CG 3.81Å; Y38-R45 HydrophobicContact CG-CG 3.82Å; Y38-L88 HydrophobicContact CD1-CD1 3.78Å; Y38-L88 HydrophobicContact CD1-CD2 4.22Å; Y38-L88 HydrophobicContact CD2-CD2 4.32Å; Y38-L88 HydrophobicContact CE1-CD1 3.96Å; Y38-L88 HydrophobicContact CE1-CD2 3.62Å; Y38-L88 HydrophobicContact CE1-CG 4.37Å; Y38-L88 HydrophobicContact CE2-CD2 3.75Å; Y38-L88 HydrophobicContact CG-CD1 4.09Å; Y38-R94 VanDerWaalsContact OH-CG 3.24Å; Y38-R94 WeakPolarHBondContact OH-CG 3.36Å; Y38-R94 PolarHBondContact OH-NE 3.43Å; Y38-Y97 HydrophobicContact CD2-CE1 4.2Å; Y38-Y97 HydrophobicContact CE2-CD1 4.08Å; Y38-Y97 HydrophobicContact CE2-CE1 4.04Å; Y38-D98 WeakPolarHBondContact CE2-OD1 3.43Å; Y38-D98 PolarHBondContact OH-OD1 3.34Å; Y38-D98 PolarHBondContact OH-OD2 3.14Å
39	E	92	Very high	71	Confident	138 Å²	138	73 Å²	73	65%	0.645	42%	0.422	S	S	*	.	H	α-helix	trans	-62.2	-42.1	172.2	-67.4	-178.7	174.2	0	0	111.7	D36 L41 G42	D36-E39 HydrophobicContact CB-CB 4.14Å; D36-E39 HydrophobicContact CB-CG 3.95Å; D36-E39 WeakPolarHBondContact O-CB 3.47Å; D36-E39 PolarHBondContact O-N 2.83Å; D36-E39 PolarHBondContact OD2-N 3.49Å; E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 PolarHBondContact O-N 3.5Å; E39-G42 PolarHBondContact O-N 3.04Å
40	L	92.5	Very high	72.9	Confident	46 Å²	46	72.3 Å²	72.3	24%	0.241	40%	0.404	C	S	.	.	H	α-helix	trans	-60.6	-38	176.1	-80.7	175.1	0	0	0	112.5	S35 D36 Y37 L59 A84	S35-L40 WeakPolarHBondContact OG-CD2 3.44Å; D36-L40 WeakPolarHBondContact O-CG 3.21Å; D36-L40 PolarHBondContact O-N 3Å; Y37-L40 HydrophobicContact CD1-CD1 4.03Å; Y37-L40 PolarHBondContact O-N 3.3Å; L40-L59 WeakPolarHBondContact O-CD1 3.34Å; L40-A84 HydrophobicContact CB-CB 4.38Å; L40-A84 HydrophobicContact CD1-CB 4.36Å
41	L	93	Very high	75.2	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.037	39%	0.391	C	S	.	.	H	α-helix	trans	-83.8	-12.8	174.9	-65.2	-169.6	0	0	0	113.1	Y37 Y38 E39 V43 I52 A55 F56 L59 V81 A84 L88	Y37-L41 WeakPolarHBondContact O-CG 3.32Å; Y37-L41 PolarHBondContact O-N 3.4Å; Y37-L41 VanDerWaalsContact O-N 3.08Å; Y38-L41 CarbonylContact O-C 3.49Å; Y38-L41 PolarHBondContact O-N 3.21Å; E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 PolarHBondContact O-N 3.5Å; L41-V43 HydrophobicContact CB-CG2 3.92Å; L41-I52 HydrophobicContact CD1-CG2 3.87Å; L41-A55 WeakPolarHBondContact O-CB 3.5Å; L41-F56 HydrophobicContact CD2-CB 4.35Å; L41-F56 HydrophobicContact CD2-CD2 4.33Å; L41-L59 HydrophobicContact CD2-CD1 3.95Å; L41-V81 HydrophobicContact CD2-CG1 3.88Å; L41-A84 HydrophobicContact CD2-CB 4.26Å; L41-A84 HydrophobicContact CG-CB 4.15Å; L41-L88 HydrophobicContact CD1-CB 4.4Å; L41-L88 HydrophobicContact CD1-CD1 3.68Å; L41-L88 HydrophobicContact CG-CD1 4.31Å
42	G	92.3	Very high	77.7	Confident	67 Å²	67	66.6 Å²	66.6	69%	0.691	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	35.2	-176.3	0	0	0	0	0	113.6	Y38 E39	Y38-G42 PolarHBondContact O-N 3.3Å; E39-G42 PolarHBondContact O-N 3.04Å
43	V	88.6	Confident	80.3	Confident	31 Å²	31	64.3 Å²	64.3	19%	0.188	33%	0.333	C	S	.	.			trans	-123.5	161.9	-178.4	-64.6	0	0	0	0	111.6	Y38 L41 A47 I52 A55	Y38-V43 WeakPolarHBondContact CB-O 3.3Å; Y38-V43 HydrophobicContact CD1-CG2 4.06Å; Y38-V43 PolarHBondContact O-N 3.09Å; L41-V43 HydrophobicContact CB-CG2 3.92Å; V43-A47 HydrophobicContact CB-CB 3.79Å; V43-A47 HydrophobicContact CG2-CB 4.14Å; V43-I52 HydrophobicContact CG2-CG1 4.24Å; V43-A55 HydrophobicContact CG1-CB 3.3Å
44	S	83.1	Confident	82.6	Confident	70 Å²	70	58 Å²	58	49%	0.49	31%	0.306	S	S	.	.			trans	-74.3	158.7	172.6	-153.3	0	0	0	0	111.6	Y38 E46 A47	Y38-S44 WeakPolarHBondContact CD1-O 3.43Å; S44-E46 WeakPolarHBondContact CB-OE2 3.43Å; S44-E46 PolarHBondContact O-N 2.98Å; S44-E46 PolarHBondContact OG-OE2 3.01Å; S44-A47 WeakPolarHBondContact O-CB 3.37Å; S44-A47 PolarHBondContact O-N 2.86Å
45	R	71.2	Confident	84.3	Confident	115 Å²	115	52.2 Å²	52.2	43%	0.434	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24	172.2	-76.7	180	165.4	-102.9	4.7	112.9	D36 Y38 A47 R94 D98	D36-R45 IonicContact OD1-CZ 3.2Å; D36-R45 IonicContact OD1-NE 2.76Å; D36-R45 IonicContact OD1-NH2 3.3Å; D36-R45 PolarHBondContact OD1-NH2 3.4Å; Y38-R45 HydrophobicContact CD1-CG 4.29Å; Y38-R45 HydrophobicContact CD2-CG 3.58Å; Y38-R45 HydrophobicContact CE2-CG 3.81Å; Y38-R45 HydrophobicContact CG-CG 3.82Å; R45-A47 VanDerWaalsContact C-N 3.32Å; R45-R94 PolarHBondContact O-NH2 3.1Å; R45-D98 IonicContact NH1-OD1 3.39Å; R45-D98 PolarHBondContact NH1-OD1 3.43Å
46	E	69.5	Low	85.5	Confident	147 Å²	147	49.7 Å²	49.7	69%	0.687	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	0.1	175.8	-56.5	71.4	-155.1	0	0	113	S44 T48	S44-E46 WeakPolarHBondContact CB-OE2 3.43Å; S44-E46 PolarHBondContact O-N 2.98Å; S44-E46 PolarHBondContact OG-OE2 3.01Å; E46-T48 PolarHBondContact O-N 3.37Å
47	A	73.4	Confident	85.9	Confident	6 Å²	6	49.8 Å²	49.8	5%	0.05	26%	0.264	C	S	.	.			trans	-58.9	134.3	-175.7	0	0	0	0	0	111.7	V43 S44 R45 E51 I52 R94	V43-A47 HydrophobicContact CB-CB 3.79Å; V43-A47 HydrophobicContact CG2-CB 4.14Å; S44-A47 WeakPolarHBondContact O-CB 3.37Å; S44-A47 PolarHBondContact O-N 2.86Å; R45-A47 VanDerWaalsContact C-N 3.32Å; A47-E51 WeakPolarHBondContact CA-OE2 3.2Å; A47-E51 HydrophobicContact CB-CB 4.12Å; A47-I52 HydrophobicContact CB-CG1 4.13Å; A47-R94 PolarHBondContact O-NH1 3.17Å; A47-R94 PolarHBondContact O-NH2 3.4Å
48	T	73.8	Confident	86	Confident	73 Å²	73	57.3 Å²	57.3	45%	0.448	30%	0.297	S	S	.	.			trans	-64.6	158.8	174	63.3	0	0	0	0	111.1	E46 R50 E51 I52	E46-T48 PolarHBondContact O-N 3.37Å; T48-R50 PolarHBondContact O-N 3.43Å; T48-E51 WeakPolarHBondContact CB-OE2 3.43Å; T48-E51 WeakPolarHBondContact CG2-OE2 3Å; T48-E51 PolarHBondContact N-OE2 3.37Å; T48-E51 PolarHBondContact O-N 2.84Å; T48-E51 VanDerWaalsContact O-N 3.08Å; T48-E51 VanDerWaalsContact OG1-CG 3.31Å; T48-E51 WeakPolarHBondContact OG1-CG 3.32Å; T48-E51 PolarHBondContact OG1-N 3.47Å; T48-E51 PolarHBondContact OG1-OE2 2.06Å; T48-I52 PolarHBondContact O-N 3.15Å
49	T	77.9	Confident	86.4	Confident	38 Å²	38	59 Å²	59	23%	0.233	31%	0.306	C	S	.	.	H	α-helix	trans	-55.5	-34.8	174	-48.2	0	0	0	0	111.7	I52 R53	T49-I52 PolarHBondContact O-N 3.34Å; T49-R53 WeakPolarHBondContact O-CB 3.47Å; T49-R53 WeakPolarHBondContact O-CG 3.37Å; T49-R53 PolarHBondContact O-N 3.01Å
50	R	82.2	Confident	86.4	Confident	60 Å²	60	52.5 Å²	52.5	23%	0.226	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-49.6	175	-179.8	178.8	170.3	154.8	5.1	111.3	T48 I52 R53 Q54 D127 D129	T48-R50 PolarHBondContact O-N 3.43Å; R50-I52 VanDerWaalsContact C-N 3.33Å; R50-I52 PolarHBondContact O-N 3.38Å; R50-R53 PolarHBondContact O-N 3.04Å; R50-Q54 WeakPolarHBondContact O-CG 3.1Å; R50-Q54 PolarHBondContact O-N 2.77Å; R50-D127 PolarHBondContact NE-O 3.37Å; R50-D127 PolarHBondContact NH2-O 2.9Å; R50-D129 PolarHBondContact NH1-O 3.44Å; R50-D129 VanDerWaalsContact NH1-O 3.07Å; R50-D129 PolarHBondContact NH2-O 2.86Å; R50-D129 VanDerWaalsContact NH2-O 3.14Å
51	E	85.4	Confident	86.5	Confident	93 Å²	93	52.4 Å²	52.4	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-40.1	178.1	-72.4	163.8	137.4	0	0	111.9	A47 T48 Q54 A55	A47-E51 WeakPolarHBondContact CA-OE2 3.2Å; A47-E51 HydrophobicContact CB-CB 4.12Å; T48-E51 WeakPolarHBondContact CB-OE2 3.43Å; T48-E51 WeakPolarHBondContact CG2-OE2 3Å; T48-E51 PolarHBondContact N-OE2 3.37Å; T48-E51 PolarHBondContact O-N 2.84Å; T48-E51 VanDerWaalsContact O-N 3.08Å; T48-E51 VanDerWaalsContact OG1-CG 3.31Å; T48-E51 WeakPolarHBondContact OG1-CG 3.32Å; T48-E51 PolarHBondContact OG1-N 3.47Å; T48-E51 PolarHBondContact OG1-OE2 2.06Å; E51-Q54 PolarHBondContact O-N 3.35Å; E51-A55 VanDerWaalsContact O-CB 3.26Å; E51-A55 WeakPolarHBondContact O-CB 3.24Å; E51-A55 PolarHBondContact O-N 2.93Å
52	I	87.4	Confident	86.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-46.6	174	-72.8	162.1	0	0	0	111.1	L41 V43 A47 T48 T49 R50 A55 F56 Y85 L88 R94	L41-I52 HydrophobicContact CD1-CG2 3.87Å; V43-I52 HydrophobicContact CG2-CG1 4.24Å; A47-I52 HydrophobicContact CB-CG1 4.13Å; T48-I52 PolarHBondContact O-N 3.15Å; T49-I52 PolarHBondContact O-N 3.34Å; R50-I52 VanDerWaalsContact C-N 3.33Å; R50-I52 PolarHBondContact O-N 3.38Å; I52-A55 PolarHBondContact O-N 2.9Å; I52-F56 VanDerWaalsContact O-CB 3.26Å; I52-F56 WeakPolarHBondContact O-CB 3.48Å; I52-F56 PolarHBondContact O-N 2.84Å; I52-Y85 HydrophobicContact CG2-CD2 3.97Å; I52-Y85 HydrophobicContact CG2-CE2 4.36Å; I52-L88 HydrophobicContact CD1-CB 4.12Å; I52-L88 HydrophobicContact CG2-CB 4.07Å; I52-R94 VanDerWaalsContact CD1-CZ 3.47Å
53	R	89.1	Confident	86.5	Confident	39 Å²	39	55.7 Å²	55.7	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-45.5	176	-74.3	-168.2	-52.1	-138.8	-4.7	111.3	T49 R50 F56 K57 Y85 F123 D127 T134	T49-R53 WeakPolarHBondContact O-CB 3.47Å; T49-R53 WeakPolarHBondContact O-CG 3.37Å; T49-R53 PolarHBondContact O-N 3.01Å; R50-R53 PolarHBondContact O-N 3.04Å; R53-F56 PolarHBondContact O-N 3.06Å; R53-K57 VanDerWaalsContact O-CB 3.28Å; R53-K57 WeakPolarHBondContact O-CB 3.34Å; R53-K57 PolarHBondContact O-N 2.89Å; R53-Y85 HydrophobicContact CG-CE2 3.89Å; R53-F123 HydrophobicContact CB-CE1 4.04Å; R53-F123 HydrophobicContact CB-CZ 4.05Å; R53-F123 HydrophobicContact CG-CE1 4.48Å; R53-F123 HydrophobicContact CG-CZ 4.01Å; R53-F123 WeakPolarHBondContact O-CE1 3.45Å; R53-D127 VanDerWaalsContact CB-OD2 3.24Å; R53-D127 WeakPolarHBondContact CB-OD2 2.97Å; R53-D127 WeakPolarHBondContact CD-OD2 3.16Å; R53-D127 IonicContact CZ-OD1 3.09Å; R53-D127 IonicContact CZ-OD2 2.82Å; R53-D127 IonicContact NE-OD1 2.74Å; R53-D127 PolarHBondContact NE-OD1 3.34Å; R53-D127 VanDerWaalsContact NE-OD1 3.16Å; R53-D127 IonicContact NE-OD2 2.83Å; R53-D127 PolarHBondContact NE-OD2 2.94Å; R53-D127 IonicContact NH2-OD1 3.23Å; R53-D127 PolarHBondContact NH2-OD1 3.03Å; R53-D127 IonicContact NH2-OD2 3.95Å; R53-T134 PolarHBondContact NH2-OG1 3.1Å
54	Q	90.9	Very high	86.8	Confident	61 Å²	61	54.3 Å²	54.3	29%	0.285	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-45.4	179.2	-73	176.6	-52.8	0	0	112	R50 E51 K57 K58 D127 D128	R50-Q54 WeakPolarHBondContact O-CG 3.1Å; R50-Q54 PolarHBondContact O-N 2.77Å; E51-Q54 PolarHBondContact O-N 3.35Å; Q54-K57 PolarHBondContact O-N 2.96Å; Q54-K58 PolarHBondContact O-N 3.27Å; Q54-D127 HydrophobicContact CG-CB 4.11Å; Q54-D127 PolarHBondContact NE2-O 2.81Å; Q54-D128 PolarHBondContact NE2-OD1 3.23Å
55	A	94	Very high	87.2	Confident	19 Å²	19	52.1 Å²	52.1	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-47.4	177.7	0	0	0	0	0	111.5	L41 V43 E51 I52 K57 K58 L59	L41-A55 WeakPolarHBondContact O-CB 3.5Å; V43-A55 HydrophobicContact CG1-CB 3.3Å; E51-A55 VanDerWaalsContact O-CB 3.26Å; E51-A55 WeakPolarHBondContact O-CB 3.24Å; E51-A55 PolarHBondContact O-N 2.93Å; I52-A55 PolarHBondContact O-N 2.9Å; A55-K57 PolarHBondContact O-N 3.16Å; A55-K58 WeakPolarHBondContact O-CB 3.34Å; A55-K58 PolarHBondContact O-N 2.89Å; A55-L59 PolarHBondContact O-N 2.87Å; A55-L59 VanDerWaalsContact O-N 3.1Å
56	F	94.9	Very high	88.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-44.4	174.1	172.8	-110	0	0	0	112	L41 I52 R53 K58 L59 A60 F78 V81 N82 Y85 Y119 F123	L41-F56 HydrophobicContact CD2-CB 4.35Å; L41-F56 HydrophobicContact CD2-CD2 4.33Å; I52-F56 VanDerWaalsContact O-CB 3.26Å; I52-F56 WeakPolarHBondContact O-CB 3.48Å; I52-F56 PolarHBondContact O-N 2.84Å; R53-F56 PolarHBondContact O-N 3.06Å; F56-K58 VanDerWaalsContact C-N 3.3Å; F56-K58 PolarHBondContact O-N 2.87Å; F56-L59 CarbonylContact O-C 3.59Å; F56-L59 PolarHBondContact O-N 2.91Å; F56-L59 VanDerWaalsContact O-N 3.15Å; F56-A60 HydrophobicContact CE1-CB 4.35Å; F56-A60 HydrophobicContact CE2-CB 4.38Å; F56-A60 HydrophobicContact CZ-CB 4.18Å; F56-A60 WeakPolarHBondContact O-CB 3.07Å; F56-A60 PolarHBondContact O-N 3.48Å; F56-F78 HydrophobicContact CE2-CE2 4.24Å; F56-F78 HydrophobicContact CE2-CZ 4.42Å; F56-F78 HydrophobicContact CZ-CZ 4.26Å; F56-V81 HydrophobicContact CD2-CG1 3.87Å; F56-V81 HydrophobicContact CE2-CG1 4.07Å; F56-N82 HydrophobicContact CE2-CB 4.36Å; F56-Y85 HydrophobicContact CB-CD2 3.53Å; F56-Y85 HydrophobicContact CB-CE2 4.24Å; F56-Y85 HydrophobicContact CB-CG 3.82Å; F56-Y85 AromaticContact CD1-CD1 3.46Å; F56-Y85 HydrophobicContact CD1-CD1 3.46Å; F56-Y85 VanDerWaalsContact CD1-CD1 3.46Å; F56-Y85 AromaticContact CD1-CD2 3.64Å; F56-Y85 HydrophobicContact CD1-CD2 3.64Å; F56-Y85 AromaticContact CD1-CE1 3.73Å; F56-Y85 HydrophobicContact CD1-CE1 3.73Å; F56-Y85 AromaticContact CD1-CE2 3.94Å; F56-Y85 HydrophobicContact CD1-CE2 3.94Å; F56-Y85 AromaticContact CD1-CG 3.41Å; F56-Y85 HydrophobicContact CD1-CG 3.41Å; F56-Y85 VanDerWaalsContact CD1-CG 3.41Å; F56-Y85 AromaticContact CD1-CZ 3.99Å; F56-Y85 HydrophobicContact CD2-CD1 4.11Å; F56-Y85 HydrophobicContact CD2-CD2 4.25Å; F56-Y85 AromaticContact CD2-CG 3.62Å; F56-Y85 HydrophobicContact CD2-CG 3.62Å; F56-Y85 AromaticContact CE1-CD1 3.35Å; F56-Y85 HydrophobicContact CE1-CD1 3.35Å; F56-Y85 HydrophobicContact CE1-CD2 4.4Å; F56-Y85 AromaticContact CE1-CE1 3.64Å; F56-Y85 HydrophobicContact CE1-CE1 3.64Å; F56-Y85 AromaticContact CE1-CG 3.78Å; F56-Y85 HydrophobicContact CE1-CG 3.78Å; F56-Y85 HydrophobicContact CE2-CD1 4.03Å; F56-Y85 AromaticContact CE2-CG 3.98Å; F56-Y85 HydrophobicContact CE2-CG 3.98Å; F56-Y85 VanDerWaalsContact CG-CB 3.5Å; F56-Y85 AromaticContact CG-CD1 3.83Å; F56-Y85 HydrophobicContact CG-CD1 3.83Å; F56-Y85 AromaticContact CG-CD2 3.53Å; F56-Y85 HydrophobicContact CG-CD2 3.53Å; F56-Y85 HydrophobicContact CG-CE1 4.47Å; F56-Y85 HydrophobicContact CG-CE2 4.25Å; F56-Y85 AromaticContact CG-CG 3.29Å; F56-Y85 HydrophobicContact CG-CG 3.29Å; F56-Y85 AromaticContact CZ-CD1 3.65Å; F56-Y85 HydrophobicContact CZ-CD1 3.65Å; F56-Y85 HydrophobicContact CZ-CE1 4.33Å; F56-Y85 HydrophobicContact CZ-CG 4.05Å; F56-Y119 AromaticContact CE1-CD1 3.97Å; F56-Y119 HydrophobicContact CE1-CD1 3.97Å; F56-Y119 AromaticContact CE1-CE1 3.48Å; F56-Y119 HydrophobicContact CE1-CE1 3.48Å; F56-Y119 VanDerWaalsContact CE1-CE1 3.48Å; F56-Y119 AromaticContact CZ-CE1 3.85Å; F56-Y119 HydrophobicContact CZ-CE1 3.85Å; F56-Y119 AromaticContact CZ-CZ 3.92Å; F56-F123 HydrophobicContact CD1-CE1 4.09Å; F56-F123 HydrophobicContact CD1-CE2 4.34Å; F56-F123 AromaticContact CD1-CZ 3.74Å; F56-F123 HydrophobicContact CD1-CZ 3.74Å; F56-F123 HydrophobicContact CE1-CE2 4.36Å; F56-F123 HydrophobicContact CE1-CZ 4.21Å
57	K	94.1	Very high	89.2	Confident	30 Å²	30	49.9 Å²	49.9	13%	0.13	25%	0.25	C	S	.	.	H	α-helix	trans	-57	-44	177.5	-173.5	179	-175.6	171.3	0	111.4	R53 Q54 A55 L59 A60 L61 F123	R53-K57 VanDerWaalsContact O-CB 3.28Å; R53-K57 WeakPolarHBondContact O-CB 3.34Å; R53-K57 PolarHBondContact O-N 2.89Å; Q54-K57 PolarHBondContact O-N 2.96Å; A55-K57 PolarHBondContact O-N 3.16Å; K57-L59 PolarHBondContact O-N 2.96Å; K57-A60 PolarHBondContact O-N 3.09Å; K57-L61 HydrophobicContact CG-CD1 4.29Å; K57-L61 WeakPolarHBondContact O-CB 3.45Å; K57-L61 VanDerWaalsContact O-CG 3.26Å; K57-L61 WeakPolarHBondContact O-CG 3.44Å; K57-L61 PolarHBondContact O-N 2.91Å; K57-F123 HydrophobicContact CB-CD1 3.86Å; K57-F123 HydrophobicContact CB-CE1 3.9Å; K57-F123 HydrophobicContact CD-CD1 4.04Å; K57-F123 WeakPolarHBondContact CE-O 3.47Å; K57-F123 HydrophobicContact CG-CD1 3.94Å; K57-F123 HydrophobicContact CG-CE1 4.49Å; K57-F123 PolarHBondContact NZ-O 2.99Å
58	K	94.2	Very high	90.1	Very high	161 Å²	161	52.3 Å²	52.3	70%	0.7	26%	0.263	S	S	*	.	H	α-helix	trans	-61.6	-43.5	177.4	-172.2	-178.4	179.1	-176.5	0	111.8	Q54 A55 F56 T62	Q54-K58 PolarHBondContact O-N 3.27Å; A55-K58 WeakPolarHBondContact O-CB 3.34Å; A55-K58 PolarHBondContact O-N 2.89Å; F56-K58 VanDerWaalsContact C-N 3.3Å; F56-K58 PolarHBondContact O-N 2.87Å; K58-T62 PolarHBondContact O-OG1 3.31Å
59	L	94.8	Very high	90.7	Very high	39 Å²	39	54.6 Å²	54.6	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-44.1	176.4	-66.3	172.9	0	0	0	111.6	L40 L41 A55 F56 K57 L61 T62 M63 V81	L40-L59 WeakPolarHBondContact O-CD1 3.34Å; L41-L59 HydrophobicContact CD2-CD1 3.95Å; A55-L59 PolarHBondContact O-N 2.87Å; A55-L59 VanDerWaalsContact O-N 3.1Å; F56-L59 CarbonylContact O-C 3.59Å; F56-L59 PolarHBondContact O-N 2.91Å; F56-L59 VanDerWaalsContact O-N 3.15Å; K57-L59 PolarHBondContact O-N 2.96Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 2.83Å; L59-T62 PolarHBondContact O-N 2.95Å; L59-T62 VanDerWaalsContact O-N 3.14Å; L59-T62 PolarHBondContact O-OG1 3.4Å; L59-T62 VanDerWaalsContact O-OG1 3.06Å; L59-M63 HydrophobicContact CB-SD 4.26Å; L59-M63 HydrophobicContact CD2-SD 3.94Å; L59-M63 VanDerWaalsContact O-CB 3.26Å; L59-M63 WeakPolarHBondContact O-CB 3.17Å; L59-M63 WeakPolarHBondContact O-CG 3.25Å; L59-M63 PolarHBondContact O-N 3.1Å; L59-V81 HydrophobicContact CB-CG1 3.87Å; L59-V81 HydrophobicContact CD1-CG1 3.87Å
60	A	93.2	Very high	91.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-41.9	177	0	0	0	0	0	111.8	F56 K57 T62 H64 F78 Y119	F56-A60 HydrophobicContact CE1-CB 4.35Å; F56-A60 HydrophobicContact CE2-CB 4.38Å; F56-A60 HydrophobicContact CZ-CB 4.18Å; F56-A60 WeakPolarHBondContact O-CB 3.07Å; F56-A60 PolarHBondContact O-N 3.48Å; K57-A60 PolarHBondContact O-N 3.09Å; A60-T62 PolarHBondContact O-N 2.96Å; A60-H64 WeakPolarHBondContact O-CB 3.31Å; A60-H64 PolarHBondContact O-N 3.46Å; A60-H64 VanDerWaalsContact O-N 3.13Å; A60-F78 HydrophobicContact CB-CE2 3.73Å; A60-F78 HydrophobicContact CB-CZ 3.92Å; A60-Y119 HydrophobicContact CB-CD1 4.26Å; A60-Y119 HydrophobicContact CB-CD2 3.93Å; A60-Y119 HydrophobicContact CB-CE2 4.41Å; A60-Y119 HydrophobicContact CB-CG 3.83Å
61	L	93	Very high	91.6	Very high	45 Å²	45	56.7 Å²	56.7	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-23.2	179.4	-72.1	177.9	0	0	0	115	K57 L59 W116 R120	K57-L61 HydrophobicContact CG-CD1 4.29Å; K57-L61 WeakPolarHBondContact O-CB 3.45Å; K57-L61 VanDerWaalsContact O-CG 3.26Å; K57-L61 WeakPolarHBondContact O-CG 3.44Å; K57-L61 PolarHBondContact O-N 2.91Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 2.83Å; L61-W116 HydrophobicContact CD2-CD2 4.49Å; L61-W116 HydrophobicContact CD2-CZ2 4Å; L61-W116 PolarHBondContact O-NE1 2.93Å; L61-R120 HydrophobicContact CD2-CB 3.61Å; L61-R120 HydrophobicContact CD2-CG 4.24Å
62	T	93.3	Very high	91.8	Very high	85 Å²	85	58.4 Å²	58.4	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-103.6	-38	-176.4	51.8	0	0	0	0	112.4	K58 L59 A60 N68	K58-T62 PolarHBondContact O-OG1 3.31Å; L59-T62 PolarHBondContact O-N 2.95Å; L59-T62 VanDerWaalsContact O-N 3.14Å; L59-T62 PolarHBondContact O-OG1 3.4Å; L59-T62 VanDerWaalsContact O-OG1 3.06Å; A60-T62 PolarHBondContact O-N 2.96Å; T62-N68 PolarHBondContact O-ND2 3.37Å
63	M	93.3	Very high	91.9	Very high	58 Å²	58	60.1 Å²	60.1	29%	0.286	35%	0.347	S	S	.	.	H	α-helix	trans	-95.8	-7.7	-174.1	-60.1	-177.7	66	0	0	114.1	L59 K77 F78 V81	L59-M63 HydrophobicContact CB-SD 4.26Å; L59-M63 HydrophobicContact CD2-SD 3.94Å; L59-M63 VanDerWaalsContact O-CB 3.26Å; L59-M63 WeakPolarHBondContact O-CB 3.17Å; L59-M63 WeakPolarHBondContact O-CG 3.25Å; L59-M63 PolarHBondContact O-N 3.1Å; M63-K77 HydrophobicContact CE-CB 4.12Å; M63-F78 HydrophobicContact CB-CD2 4.27Å; M63-V81 HydrophobicContact CE-CG2 3.91Å; M63-V81 HydrophobicContact SD-CG2 3.99Å
64	H	93.8	Very high	91.9	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.009	34%	0.342	C	S	.	.			trans	-55.8	138.4	-178.6	-164	-85.6	0	0	0	111.7	A60 D66 K67 N68 F78 Y113 E114 W116	A60-H64 WeakPolarHBondContact O-CB 3.31Å; A60-H64 PolarHBondContact O-N 3.46Å; A60-H64 VanDerWaalsContact O-N 3.13Å; H64-D66 VanDerWaalsContact C-N 3.29Å; H64-D66 IonicContact CE1-OD1 2.64Å; H64-D66 PolarHBondContact CE1-OD1 3.47Å; H64-D66 VanDerWaalsContact CE1-OD1 3.3Å; H64-D66 IonicContact CE1-OD2 3.42Å; H64-D66 PolarHBondContact CE1-OD2 2.76Å; H64-D66 VanDerWaalsContact ND1-CB 3.34Å; H64-D66 WeakPolarHBondContact ND1-CB 3.14Å; H64-D66 PolarHBondContact ND1-N 3.22Å; H64-D66 IonicContact ND1-OD1 2.93Å; H64-D66 IonicContact ND1-OD2 3.18Å; H64-D66 PolarHBondContact ND1-OD2 3.4Å; H64-D66 PolarHBondContact O-N 3.3Å; H64-K67 PolarHBondContact O-N 2.98Å; H64-N68 PolarHBondContact O-N 2.72Å; H64-N68 PolarHBondContact O-ND2 2.88Å; H64-F78 AromaticContact CD2-CE1 3.6Å; H64-F78 AromaticContact CD2-CZ 3.93Å; H64-Y113 AromaticContact NE2-CD2 3.71Å; H64-Y113 AromaticContact NE2-CE2 3.69Å; H64-E114 PolarHBondContact NE2-O 3.24Å; H64-W116 HydrophobicContact CB-CB 4.18Å; H64-W116 HydrophobicContact CB-CG 4.35Å; H64-W116 PolarHBondContact CE1-N 3.17Å; H64-W116 PolarHBondContact NE2-N 2.91Å
65	P	92.6	Very high	91.8	Very high	24 Å²	24	60.1 Å²	60.1	16%	0.156	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.9	179.9	-31.7	40	0	0	0	114.1	K67 N68 H75 F78	P65-K67 PolarHBondContact O-N 3.41Å; P65-K67 VanDerWaalsContact O-N 3.09Å; P65-N68 CarbonylContact O-C 3.55Å; P65-N68 VanDerWaalsContact O-C 3.25Å; P65-N68 PolarHBondContact O-N 2.56Å; P65-H75 HydrophobicContact CG-CB 4.33Å; P65-F78 HydrophobicContact CG-CB 4.24Å; P65-F78 HydrophobicContact CG-CD1 4.44Å
66	D	91.1	Very high	91.6	Very high	102 Å²	102	64.6 Å²	64.6	55%	0.545	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-55.5	-26.8	175.3	-58.1	-3.8	0	0	0	114.5	H64 W116	H64-D66 VanDerWaalsContact C-N 3.29Å; H64-D66 IonicContact CE1-OD1 2.64Å; H64-D66 PolarHBondContact CE1-OD1 3.47Å; H64-D66 VanDerWaalsContact CE1-OD1 3.3Å; H64-D66 IonicContact CE1-OD2 3.42Å; H64-D66 PolarHBondContact CE1-OD2 2.76Å; H64-D66 VanDerWaalsContact ND1-CB 3.34Å; H64-D66 WeakPolarHBondContact ND1-CB 3.14Å; H64-D66 PolarHBondContact ND1-N 3.22Å; H64-D66 IonicContact ND1-OD1 2.93Å; H64-D66 IonicContact ND1-OD2 3.18Å; H64-D66 PolarHBondContact ND1-OD2 3.4Å; H64-D66 PolarHBondContact O-N 3.3Å; D66-W116 HydrophobicContact CB-CB 4.17Å
67	K	91.3	Very high	91.4	Very high	112 Å²	112	69 Å²	69	49%	0.487	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-94.5	-9.5	176.8	-68.4	-57.5	-174.7	-174.6	0	113.5	H64 P65 P69 W116	H64-K67 PolarHBondContact O-N 2.98Å; P65-K67 PolarHBondContact O-N 3.41Å; P65-K67 VanDerWaalsContact O-N 3.09Å; K67-P69 WeakPolarHBondContact O-CD 3.01Å; K67-W116 HydrophobicContact CD-CD2 4.37Å; K67-W116 VanDerWaalsContact CG-CD1 3.45Å; K67-W116 HydrophobicContact CG-CD2 4.2Å; K67-W116 HydrophobicContact CG-CG 3.92Å
68	N	91.1	Very high	91.3	Very high	58 Å²	58	67.6 Å²	67.6	31%	0.31	38%	0.38	S	S	.	.			trans	-127	52.7	-177.7	-59.9	-79.7	0	0	0	111.4	T62 H64 P65 G70 D71 A74	T62-N68 PolarHBondContact O-ND2 3.37Å; H64-N68 PolarHBondContact O-N 2.72Å; H64-N68 PolarHBondContact O-ND2 2.88Å; P65-N68 CarbonylContact O-C 3.55Å; P65-N68 VanDerWaalsContact O-C 3.25Å; P65-N68 PolarHBondContact O-N 2.56Å; N68-G70 PolarHBondContact O-N 3.36Å; N68-G70 VanDerWaalsContact O-N 3.1Å; N68-D71 PolarHBondContact O-N 2.97Å; N68-D71 VanDerWaalsContact O-N 3.16Å; N68-A74 HydrophobicContact CB-CB 3.87Å
69	P	87.2	Confident	91.1	Very high	121 Å²	121	62.2 Å²	62.2	79%	0.786	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.5	-175	28.5	-36.6	0	0	0	113.8	K67	K67-P69 WeakPolarHBondContact O-CD 3.01Å
70	G	88.6	Confident	90.9	Very high	83 Å²	83	65.3 Å²	65.3	86%	0.856	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.1	178.1	0	0	0	0	0	115.3	N68	N68-G70 PolarHBondContact O-N 3.36Å; N68-G70 VanDerWaalsContact O-N 3.1Å
71	D	91.4	Very high	90.9	Very high	58 Å²	58	65.6 Å²	65.6	31%	0.31	37%	0.372	S	S	.	.			trans	-105.9	106.5	177.6	179	3.5	0	0	0	109.8	N68 S73 A74 K77	N68-D71 PolarHBondContact O-N 2.97Å; N68-D71 VanDerWaalsContact O-N 3.16Å; D71-S73 VanDerWaalsContact CG-OG 3.29Å; D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 VanDerWaalsContact O-N 3.11Å; D71-S73 WeakPolarHBondContact OD1-CA 3.35Å; D71-S73 WeakPolarHBondContact OD1-CB 3.17Å; D71-S73 PolarHBondContact OD1-N 2.88Å; D71-S73 PolarHBondContact OD1-OG 2.76Å; D71-S73 PolarHBondContact OD2-OG 2.81Å; D71-A74 HydrophobicContact CB-CB 4.12Å; D71-A74 WeakPolarHBondContact O-CB 3.35Å; D71-A74 PolarHBondContact O-N 2.82Å; D71-K77 IonicContact OD1-NZ 3.23Å; D71-K77 IonicContact OD2-NZ 2.69Å; D71-K77 PolarHBondContact OD2-NZ 2.98Å
72	S	88.3	Confident	90.8	Very high	129 Å²	129	63.4 Å²	63.4	90%	0.902	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.8	178.6	58.6	0	0	0	0	113.5
73	S	90.6	Very high	90.7	Very high	36 Å²	36	61.5 Å²	61.5	25%	0.252	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.6	176.1	70.9	0	0	0	0	113.9	D71 H75 E76 K77	D71-S73 VanDerWaalsContact CG-OG 3.29Å; D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 VanDerWaalsContact O-N 3.11Å; D71-S73 WeakPolarHBondContact OD1-CA 3.35Å; D71-S73 WeakPolarHBondContact OD1-CB 3.17Å; D71-S73 PolarHBondContact OD1-N 2.88Å; D71-S73 PolarHBondContact OD1-OG 2.76Å; D71-S73 PolarHBondContact OD2-OG 2.81Å; S73-H75 VanDerWaalsContact C-N 3.28Å; S73-H75 PolarHBondContact O-N 2.69Å; S73-E76 PolarHBondContact O-N 3Å; S73-K77 WeakPolarHBondContact O-CG 2.96Å; S73-K77 PolarHBondContact O-N 2.82Å; S73-K77 WeakPolarHBondContact OG-CE 3.4Å; S73-K77 PolarHBondContact OG-NZ 2.93Å
74	A	89.2	Confident	90.6	Very high	5 Å²	5	58.8 Å²	58.8	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-39.5	-177	0	0	0	0	0	112.7	N68 D71 F78	N68-A74 HydrophobicContact CB-CB 3.87Å; D71-A74 HydrophobicContact CB-CB 4.12Å; D71-A74 WeakPolarHBondContact O-CB 3.35Å; D71-A74 PolarHBondContact O-N 2.82Å; A74-F78 WeakPolarHBondContact O-CB 3.39Å; A74-F78 PolarHBondContact O-N 2.68Å
75	H	88.8	Confident	90.5	Very high	96 Å²	96	59.1 Å²	59.1	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-51.4	176.5	179.5	73.2	0	0	0	111.9	P65 S73 K77 F78 L79 Y113	P65-H75 HydrophobicContact CG-CB 4.33Å; S73-H75 VanDerWaalsContact C-N 3.28Å; S73-H75 PolarHBondContact O-N 2.69Å; H75-K77 PolarHBondContact O-N 3.32Å; H75-F78 PolarHBondContact O-N 3.49Å; H75-L79 WeakPolarHBondContact O-CB 3.39Å; H75-L79 PolarHBondContact O-N 2.98Å; H75-Y113 AromaticContact CE1-CE1 3.54Å; H75-Y113 AromaticContact CE1-CZ 3.9Å; H75-Y113 PolarHBondContact CE1-OH 2.9Å; H75-Y113 AromaticContact ND1-CE1 3.54Å; H75-Y113 AromaticContact ND1-CZ 3.59Å; H75-Y113 PolarHBondContact ND1-OH 2.82Å
76	E	89	Confident	90.3	Very high	112 Å²	112	60.5 Å²	60.5	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-42.4	-178.6	-165.5	-164.5	142.7	0	0	111.8	S73 F78 L79 K80	S73-E76 PolarHBondContact O-N 3Å; E76-F78 PolarHBondContact O-N 3.39Å; E76-L79 PolarHBondContact O-N 3.29Å; E76-K80 PolarHBondContact O-N 2.96Å; E76-K80 VanDerWaalsContact O-N 3.15Å; E76-K80 WeakPolarHBondContact OE1-CE 3.49Å; E76-K80 IonicContact OE1-NZ 3.96Å; E76-K80 PolarHBondContact OE1-NZ 2.71Å
77	K	90.5	Very high	90.1	Very high	94 Å²	94	55.6 Å²	55.6	41%	0.409	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-45.7	175.6	-71.4	172.9	-177	164.2	0	111.5	M63 D71 S73 H75 L79 K80 V81	M63-K77 HydrophobicContact CE-CB 4.12Å; D71-K77 IonicContact OD1-NZ 3.23Å; D71-K77 IonicContact OD2-NZ 2.69Å; D71-K77 PolarHBondContact OD2-NZ 2.98Å; S73-K77 WeakPolarHBondContact O-CG 2.96Å; S73-K77 PolarHBondContact O-N 2.82Å; S73-K77 WeakPolarHBondContact OG-CE 3.4Å; S73-K77 PolarHBondContact OG-NZ 2.93Å; H75-K77 PolarHBondContact O-N 3.32Å; K77-L79 VanDerWaalsContact C-N 3.33Å; K77-K80 PolarHBondContact O-N 3.46Å; K77-V81 PolarHBondContact O-N 3.1Å
78	F	92.5	Very high	89.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-35.6	179.5	-172.6	-120.5	0	0	0	112	F56 A60 M63 H64 P65 A74 H75 E76 K80 V81 N82 Y113 Y119	F56-F78 HydrophobicContact CE2-CE2 4.24Å; F56-F78 HydrophobicContact CE2-CZ 4.42Å; F56-F78 HydrophobicContact CZ-CZ 4.26Å; A60-F78 HydrophobicContact CB-CE2 3.73Å; A60-F78 HydrophobicContact CB-CZ 3.92Å; M63-F78 HydrophobicContact CB-CD2 4.27Å; H64-F78 AromaticContact CD2-CE1 3.6Å; H64-F78 AromaticContact CD2-CZ 3.93Å; P65-F78 HydrophobicContact CG-CB 4.24Å; P65-F78 HydrophobicContact CG-CD1 4.44Å; A74-F78 WeakPolarHBondContact O-CB 3.39Å; A74-F78 PolarHBondContact O-N 2.68Å; H75-F78 PolarHBondContact O-N 3.49Å; E76-F78 PolarHBondContact O-N 3.39Å; F78-K80 VanDerWaalsContact C-N 3.32Å; F78-K80 PolarHBondContact O-N 3.46Å; F78-V81 PolarHBondContact O-N 3.24Å; F78-N82 WeakPolarHBondContact O-CB 3.48Å; F78-N82 PolarHBondContact O-N 2.94Å; F78-Y113 AromaticContact CD1-CD1 3.75Å; F78-Y113 HydrophobicContact CD1-CD1 3.75Å; F78-Y113 AromaticContact CD1-CD2 3.87Å; F78-Y113 HydrophobicContact CD1-CD2 3.87Å; F78-Y113 AromaticContact CD1-CE1 3.96Å; F78-Y113 HydrophobicContact CD1-CE1 3.96Å; F78-Y113 HydrophobicContact CD1-CE2 4.08Å; F78-Y113 AromaticContact CD1-CG 3.71Å; F78-Y113 HydrophobicContact CD1-CG 3.71Å; F78-Y113 AromaticContact CE1-CD1 3.95Å; F78-Y113 HydrophobicContact CE1-CD1 3.95Å; F78-Y113 AromaticContact CE1-CD2 3.53Å; F78-Y113 HydrophobicContact CE1-CD2 3.53Å; F78-Y113 HydrophobicContact CE1-CE2 4.15Å; F78-Y113 AromaticContact CE1-CG 3.43Å; F78-Y113 HydrophobicContact CE1-CG 3.43Å; F78-Y113 VanDerWaalsContact CE1-CG 3.43Å; F78-Y119 HydrophobicContact CE1-CE2 4.05Å; F78-Y119 HydrophobicContact CZ-CD2 4.31Å; F78-Y119 AromaticContact CZ-CE2 3.67Å; F78-Y119 HydrophobicContact CZ-CE2 3.67Å
79	L	90.4	Very high	89.1	Confident	47 Å²	47	50.5 Å²	50.5	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-36.7	177.8	-151.5	149.6	0	0	0	111.8	H75 E76 K77 N82 R83	H75-L79 WeakPolarHBondContact O-CB 3.39Å; H75-L79 PolarHBondContact O-N 2.98Å; E76-L79 PolarHBondContact O-N 3.29Å; K77-L79 VanDerWaalsContact C-N 3.33Å; L79-N82 PolarHBondContact O-N 3.16Å; L79-R83 VanDerWaalsContact O-CB 3.29Å; L79-R83 WeakPolarHBondContact O-CB 3.37Å; L79-R83 PolarHBondContact O-N 3.38Å
80	K	90.3	Very high	88.4	Confident	105 Å²	105	47.7 Å²	47.7	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-47.1	172.6	-69.9	174.4	-173.6	167	0	112	E76 K77 F78 R83 A84	E76-K80 PolarHBondContact O-N 2.96Å; E76-K80 VanDerWaalsContact O-N 3.15Å; E76-K80 WeakPolarHBondContact OE1-CE 3.49Å; E76-K80 IonicContact OE1-NZ 3.96Å; E76-K80 PolarHBondContact OE1-NZ 2.71Å; K77-K80 PolarHBondContact O-N 3.46Å; F78-K80 VanDerWaalsContact C-N 3.32Å; F78-K80 PolarHBondContact O-N 3.46Å; K80-R83 PolarHBondContact O-N 3.15Å; K80-A84 PolarHBondContact O-N 3.44Å
81	V	92.1	Very high	87.2	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-42	177.2	173.4	0	0	0	0	111.4	L41 F56 L59 M63 K77 F78 A84 Y85	L41-V81 HydrophobicContact CD2-CG1 3.88Å; F56-V81 HydrophobicContact CD2-CG1 3.87Å; F56-V81 HydrophobicContact CE2-CG1 4.07Å; L59-V81 HydrophobicContact CB-CG1 3.87Å; L59-V81 HydrophobicContact CD1-CG1 3.87Å; M63-V81 HydrophobicContact CE-CG2 3.91Å; M63-V81 HydrophobicContact SD-CG2 3.99Å; K77-V81 PolarHBondContact O-N 3.1Å; F78-V81 PolarHBondContact O-N 3.24Å; V81-A84 PolarHBondContact O-N 3.26Å; V81-Y85 PolarHBondContact O-N 3.38Å
82	N	91.6	Very high	85.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-42.5	176.9	-172.3	68.5	0	0	0	111.4	F56 F78 L79 Y85 E86 G110 R112 Y119	F56-N82 HydrophobicContact CE2-CB 4.36Å; F78-N82 WeakPolarHBondContact O-CB 3.48Å; F78-N82 PolarHBondContact O-N 2.94Å; L79-N82 PolarHBondContact O-N 3.16Å; N82-Y85 PolarHBondContact O-N 3.49Å; N82-E86 WeakPolarHBondContact O-CB 3.36Å; N82-E86 VanDerWaalsContact O-CG 3.32Å; N82-E86 WeakPolarHBondContact O-CG 3.34Å; N82-E86 PolarHBondContact O-N 3.14Å; N82-G110 PolarHBondContact ND2-O 3.42Å; N82-G110 VanDerWaalsContact ND2-O 3.14Å; N82-R112 PolarHBondContact ND2-O 3.02Å; N82-Y119 PolarHBondContact OD1-OH 2.88Å
83	R	90.7	Very high	84.9	Confident	45 Å²	45	42.9 Å²	42.9	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-45.8	174.5	-176.1	173.1	-169.7	-139.7	0.9	111.6	Y37 L79 K80 Y85 E86 V87 E102 Q109	Y37-R83 PolarHBondContact OH-NE 2.91Å; Y37-R83 PolarHBondContact OH-NH1 2.85Å; L79-R83 VanDerWaalsContact O-CB 3.29Å; L79-R83 WeakPolarHBondContact O-CB 3.37Å; L79-R83 PolarHBondContact O-N 3.38Å; K80-R83 PolarHBondContact O-N 3.15Å; R83-Y85 VanDerWaalsContact C-N 3.29Å; R83-Y85 PolarHBondContact O-N 2.86Å; R83-E86 PolarHBondContact O-N 3.42Å; R83-V87 WeakPolarHBondContact O-CB 3.38Å; R83-V87 VanDerWaalsContact O-CG2 3.27Å; R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.03Å; R83-E102 IonicContact CZ-OE2 3.11Å; R83-E102 IonicContact NH1-OE2 3.96Å; R83-E102 PolarHBondContact NH1-OE2 3.35Å; R83-E102 IonicContact NH2-OE2 3.25Å; R83-Q109 WeakPolarHBondContact CD-O 3.32Å; R83-Q109 WeakPolarHBondContact CG-O 3.36Å; R83-Q109 PolarHBondContact NE-O 3.11Å
84	A	91.8	Very high	83.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.5	-45.3	174	0	0	0	0	0	111	Y37 L40 L41 K80 V81 L88	Y37-A84 HydrophobicContact CD1-CB 3.81Å; Y37-A84 HydrophobicContact CD2-CB 4.36Å; Y37-A84 HydrophobicContact CE1-CB 4.42Å; Y37-A84 HydrophobicContact CG-CB 3.74Å; L40-A84 HydrophobicContact CB-CB 4.38Å; L40-A84 HydrophobicContact CD1-CB 4.36Å; L41-A84 HydrophobicContact CD2-CB 4.26Å; L41-A84 HydrophobicContact CG-CB 4.15Å; K80-A84 PolarHBondContact O-N 3.44Å; V81-A84 PolarHBondContact O-N 3.26Å; A84-L88 WeakPolarHBondContact O-CB 3.41Å; A84-L88 WeakPolarHBondContact O-CG 3.43Å; A84-L88 PolarHBondContact O-N 2.99Å
85	Y	91.9	Very high	82.4	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-48.5	175.7	169.3	-110.5	0	0	0	113.8	I52 R53 F56 V81 N82 R83 V87 L88 K89 F123	I52-Y85 HydrophobicContact CG2-CD2 3.97Å; I52-Y85 HydrophobicContact CG2-CE2 4.36Å; R53-Y85 HydrophobicContact CG-CE2 3.89Å; F56-Y85 HydrophobicContact CB-CD2 3.53Å; F56-Y85 HydrophobicContact CB-CE2 4.24Å; F56-Y85 HydrophobicContact CB-CG 3.82Å; F56-Y85 AromaticContact CD1-CD1 3.46Å; F56-Y85 HydrophobicContact CD1-CD1 3.46Å; F56-Y85 VanDerWaalsContact CD1-CD1 3.46Å; F56-Y85 AromaticContact CD1-CD2 3.64Å; F56-Y85 HydrophobicContact CD1-CD2 3.64Å; F56-Y85 AromaticContact CD1-CE1 3.73Å; F56-Y85 HydrophobicContact CD1-CE1 3.73Å; F56-Y85 AromaticContact CD1-CE2 3.94Å; F56-Y85 HydrophobicContact CD1-CE2 3.94Å; F56-Y85 AromaticContact CD1-CG 3.41Å; F56-Y85 HydrophobicContact CD1-CG 3.41Å; F56-Y85 VanDerWaalsContact CD1-CG 3.41Å; F56-Y85 AromaticContact CD1-CZ 3.99Å; F56-Y85 HydrophobicContact CD2-CD1 4.11Å; F56-Y85 HydrophobicContact CD2-CD2 4.25Å; F56-Y85 AromaticContact CD2-CG 3.62Å; F56-Y85 HydrophobicContact CD2-CG 3.62Å; F56-Y85 AromaticContact CE1-CD1 3.35Å; F56-Y85 HydrophobicContact CE1-CD1 3.35Å; F56-Y85 HydrophobicContact CE1-CD2 4.4Å; F56-Y85 AromaticContact CE1-CE1 3.64Å; F56-Y85 HydrophobicContact CE1-CE1 3.64Å; F56-Y85 AromaticContact CE1-CG 3.78Å; F56-Y85 HydrophobicContact CE1-CG 3.78Å; F56-Y85 HydrophobicContact CE2-CD1 4.03Å; F56-Y85 AromaticContact CE2-CG 3.98Å; F56-Y85 HydrophobicContact CE2-CG 3.98Å; F56-Y85 VanDerWaalsContact CG-CB 3.5Å; F56-Y85 AromaticContact CG-CD1 3.83Å; F56-Y85 HydrophobicContact CG-CD1 3.83Å; F56-Y85 AromaticContact CG-CD2 3.53Å; F56-Y85 HydrophobicContact CG-CD2 3.53Å; F56-Y85 HydrophobicContact CG-CE1 4.47Å; F56-Y85 HydrophobicContact CG-CE2 4.25Å; F56-Y85 AromaticContact CG-CG 3.29Å; F56-Y85 HydrophobicContact CG-CG 3.29Å; F56-Y85 AromaticContact CZ-CD1 3.65Å; F56-Y85 HydrophobicContact CZ-CD1 3.65Å; F56-Y85 HydrophobicContact CZ-CE1 4.33Å; F56-Y85 HydrophobicContact CZ-CG 4.05Å; V81-Y85 PolarHBondContact O-N 3.38Å; N82-Y85 PolarHBondContact O-N 3.49Å; R83-Y85 VanDerWaalsContact C-N 3.29Å; R83-Y85 PolarHBondContact O-N 2.86Å; Y85-V87 PolarHBondContact O-N 3.32Å; Y85-L88 PolarHBondContact O-N 3.4Å; Y85-K89 HydrophobicContact CD1-CD 4.06Å; Y85-K89 HydrophobicContact CD2-CB 4.08Å; Y85-K89 HydrophobicContact CE1-CD 3.43Å; Y85-K89 VanDerWaalsContact CE1-CD 3.43Å; Y85-K89 HydrophobicContact CE2-CB 3.59Å; Y85-K89 HydrophobicContact CE2-CD 3.91Å; Y85-K89 HydrophobicContact CE2-CG 4.31Å; Y85-K89 WeakPolarHBondContact O-CB 3.44Å; Y85-K89 VanDerWaalsContact O-CG 3.31Å; Y85-K89 WeakPolarHBondContact O-CG 3.43Å; Y85-K89 PolarHBondContact O-N 2.98Å; Y85-K89 WeakPolarHBondContact OH-CD 3.22Å; Y85-F123 AromaticContact CE1-CE2 3.96Å; Y85-F123 HydrophobicContact CE1-CE2 3.96Å; Y85-F123 HydrophobicContact CE1-CZ 4.1Å; Y85-F123 AromaticContact CE2-CZ 3.94Å; Y85-F123 HydrophobicContact CE2-CZ 3.94Å; Y85-F123 AromaticContact CZ-CE2 3.65Å; Y85-F123 AromaticContact CZ-CZ 3.48Å; Y85-F123 VanDerWaalsContact CZ-CZ 3.48Å; Y85-F123 WeakPolarHBondContact OH-CE2 3.47Å; Y85-F123 VanDerWaalsContact OH-CZ 3.24Å; Y85-F123 WeakPolarHBondContact OH-CZ 3.42Å
86	E	88.6	Confident	81.1	Confident	53 Å²	53	42.6 Å²	42.6	25%	0.248	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-35.4	180	-72.1	-61.1	127.2	0	0	111.8	N82 R83 K89	N82-E86 WeakPolarHBondContact O-CB 3.36Å; N82-E86 VanDerWaalsContact O-CG 3.32Å; N82-E86 WeakPolarHBondContact O-CG 3.34Å; N82-E86 PolarHBondContact O-N 3.14Å; R83-E86 PolarHBondContact O-N 3.42Å; E86-K89 VanDerWaalsContact CD-CE 3.48Å; E86-K89 WeakPolarHBondContact OE1-CE 3.23Å; E86-K89 IonicContact OE1-NZ 3.01Å; E86-K89 PolarHBondContact OE1-NZ 3.04Å; E86-K89 WeakPolarHBondContact OE2-CE 3.24Å; E86-K89 IonicContact OE2-NZ 3.96Å; E86-K89 PolarHBondContact OE2-NZ 3.2Å
87	V	86.3	Confident	80.2	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-75.2	-49.6	175	171.1	0	0	0	0	110.8	Y37 R83 Y85 K89 D90 L93 R94 Y97 L105	Y37-V87 HydrophobicContact CD2-CB 3.95Å; Y37-V87 HydrophobicContact CD2-CG1 3.79Å; Y37-V87 HydrophobicContact CD2-CG2 4.49Å; Y37-V87 HydrophobicContact CE2-CB 3.75Å; Y37-V87 HydrophobicContact CE2-CG1 3.73Å; Y37-V87 HydrophobicContact CE2-CG2 3.79Å; R83-V87 WeakPolarHBondContact O-CB 3.38Å; R83-V87 VanDerWaalsContact O-CG2 3.27Å; R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.03Å; Y85-V87 PolarHBondContact O-N 3.32Å; V87-K89 PolarHBondContact O-N 3.21Å; V87-D90 PolarHBondContact O-N 3.42Å; V87-L93 HydrophobicContact CB-CB 4.34Å; V87-L93 HydrophobicContact CG1-CB 4Å; V87-L93 CarbonylContact O-C 3.5Å; V87-L93 WeakPolarHBondContact O-CB 3.48Å; V87-R94 WeakPolarHBondContact O-CA 3.48Å; V87-R94 PolarHBondContact O-N 2.89Å; V87-Y97 HydrophobicContact CG1-CG 4.16Å; V87-L105 HydrophobicContact CB-CD1 4.37Å; V87-L105 HydrophobicContact CG1-CD1 3.76Å; V87-L105 HydrophobicContact CG1-CD2 4.21Å; V87-L105 HydrophobicContact CG2-CD1 3.73Å
88	L	83.6	Confident	78.7	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-75.2	-23.2	-174	-66.4	-176.4	0	0	0	113.6	Y38 L41 I52 A84 Y85 R94 Y97	Y38-L88 HydrophobicContact CD1-CD1 3.78Å; Y38-L88 HydrophobicContact CD1-CD2 4.22Å; Y38-L88 HydrophobicContact CD2-CD2 4.32Å; Y38-L88 HydrophobicContact CE1-CD1 3.96Å; Y38-L88 HydrophobicContact CE1-CD2 3.62Å; Y38-L88 HydrophobicContact CE1-CG 4.37Å; Y38-L88 HydrophobicContact CE2-CD2 3.75Å; Y38-L88 HydrophobicContact CG-CD1 4.09Å; L41-L88 HydrophobicContact CD1-CB 4.4Å; L41-L88 HydrophobicContact CD1-CD1 3.68Å; L41-L88 HydrophobicContact CG-CD1 4.31Å; I52-L88 HydrophobicContact CD1-CB 4.12Å; I52-L88 HydrophobicContact CG2-CB 4.07Å; A84-L88 WeakPolarHBondContact O-CB 3.41Å; A84-L88 WeakPolarHBondContact O-CG 3.43Å; A84-L88 PolarHBondContact O-N 2.99Å; Y85-L88 PolarHBondContact O-N 3.4Å; L88-R94 HydrophobicContact CD2-CB 4.36Å; L88-R94 HydrophobicContact CD2-CG 3.77Å; L88-R94 VanDerWaalsContact O-CD 3.32Å; L88-R94 WeakPolarHBondContact O-CD 3.42Å; L88-Y97 HydrophobicContact CD2-CD1 4.13Å
89	K	77.8	Confident	76.7	Confident	61 Å²	61	40.2 Å²	40.2	27%	0.265	19%	0.187	S	C	.	.	H	α-helix	trans	-75.5	-33.2	175.8	81	-176.1	-172.5	-179.1	0	112	Y85 E86 V87	Y85-K89 HydrophobicContact CD1-CD 4.06Å; Y85-K89 HydrophobicContact CD2-CB 4.08Å; Y85-K89 HydrophobicContact CE1-CD 3.43Å; Y85-K89 VanDerWaalsContact CE1-CD 3.43Å; Y85-K89 HydrophobicContact CE2-CB 3.59Å; Y85-K89 HydrophobicContact CE2-CD 3.91Å; Y85-K89 HydrophobicContact CE2-CG 4.31Å; Y85-K89 WeakPolarHBondContact O-CB 3.44Å; Y85-K89 VanDerWaalsContact O-CG 3.31Å; Y85-K89 WeakPolarHBondContact O-CG 3.43Å; Y85-K89 PolarHBondContact O-N 2.98Å; Y85-K89 WeakPolarHBondContact OH-CD 3.22Å; E86-K89 VanDerWaalsContact CD-CE 3.48Å; E86-K89 WeakPolarHBondContact OE1-CE 3.23Å; E86-K89 IonicContact OE1-NZ 3.01Å; E86-K89 PolarHBondContact OE1-NZ 3.04Å; E86-K89 WeakPolarHBondContact OE2-CE 3.24Å; E86-K89 IonicContact OE2-NZ 3.96Å; E86-K89 PolarHBondContact OE2-NZ 3.2Å; V87-K89 PolarHBondContact O-N 3.21Å
90	D	73.1	Confident	75.3	Confident	62 Å²	62	43.6 Å²	43.6	33%	0.332	20%	0.198	S	C	.	.	S	Bend	trans	-84.6	118.8	179.4	-177.9	-73.2	0	0	0	107.2	V87 D92 L93 R94	V87-D90 PolarHBondContact O-N 3.42Å; D90-D92 PolarHBondContact O-N 3Å; D90-D92 WeakPolarHBondContact OD1-CA 3.44Å; D90-D92 VanDerWaalsContact OD1-CB 3.29Å; D90-D92 WeakPolarHBondContact OD1-CB 3.46Å; D90-D92 PolarHBondContact OD1-N 3.06Å; D90-L93 HydrophobicContact CB-CB 4.07Å; D90-L93 HydrophobicContact CB-CD1 3.99Å; D90-L93 HydrophobicContact CB-CG 4.02Å; D90-L93 PolarHBondContact O-N 3.25Å; D90-L93 PolarHBondContact OD1-N 3.1Å; D90-R94 WeakPolarHBondContact O-CB 3.29Å; D90-R94 PolarHBondContact O-N 3.18Å
91	E	62.3	Low	74.4	Confident	53 Å²	53	39.9 Å²	39.9	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-32.6	-173.4	-66.1	-158.3	170.8	0	0	111.8	K95 P478 R481	E91-K95 VanDerWaalsContact O-CD 3.24Å; E91-K95 WeakPolarHBondContact O-CD 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.21Å; E91-K95 PolarHBondContact O-N 3.05Å; E91-K95 IonicContact OE2-NZ 3.5Å; E91-K95 PolarHBondContact OE2-NZ 3.09Å; E91-P478 HydrophobicContact CB-CB 3.48Å; E91-P478 VanDerWaalsContact CB-CB 3.48Å; E91-P478 HydrophobicContact CB-CG 3.47Å; E91-P478 VanDerWaalsContact CB-CG 3.47Å; E91-P478 HydrophobicContact CG-CB 4.48Å; E91-P478 WeakPolarHBondContact O-CG 3.43Å; E91-P478 VanDerWaalsContact OE2-CB 3.29Å; E91-P478 WeakPolarHBondContact OE2-CB 3.3Å; E91-R481 IonicContact OE1-NH2 3.98Å; E91-R481 PolarHBondContact OE1-NH2 2.87Å; E91-R481 IonicContact OE2-CZ 3.97Å; E91-R481 IonicContact OE2-NH2 2.61Å; E91-R481 PolarHBondContact OE2-NH2 3.14Å
92	D	62.3	Low	73.7	Confident	84 Å²	84	41.6 Å²	41.6	45%	0.449	20%	0.198	S	C	.	.	H	α-helix	trans	-70.2	-49.4	-178.6	-60.8	-14.4	0	0	0	110.5	D90 K95 K96 P478 P479	D90-D92 PolarHBondContact O-N 3Å; D90-D92 WeakPolarHBondContact OD1-CA 3.44Å; D90-D92 VanDerWaalsContact OD1-CB 3.29Å; D90-D92 WeakPolarHBondContact OD1-CB 3.46Å; D90-D92 PolarHBondContact OD1-N 3.06Å; D92-K95 PolarHBondContact O-N 2.7Å; D92-K96 WeakPolarHBondContact O-CB 3.48Å; D92-K96 PolarHBondContact O-N 3.42Å; D92-P478 VanDerWaalsContact OD1-CB 3.3Å; D92-P478 WeakPolarHBondContact OD1-CB 3.28Å; D92-P478 VanDerWaalsContact OD1-CG 3.23Å; D92-P478 WeakPolarHBondContact OD1-CG 3.31Å; D92-P479 WeakPolarHBondContact OD1-CD 3.44Å; D92-P479 WeakPolarHBondContact OD1-CG 3.42Å
93	L	69.6	Low	72.7	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-41.5	178.6	-59	-178.7	0	0	0	111.6	V87 D90 K95 K96 Y97 L105	V87-L93 HydrophobicContact CB-CB 4.34Å; V87-L93 HydrophobicContact CG1-CB 4Å; V87-L93 CarbonylContact O-C 3.5Å; V87-L93 WeakPolarHBondContact O-CB 3.48Å; D90-L93 HydrophobicContact CB-CB 4.07Å; D90-L93 HydrophobicContact CB-CD1 3.99Å; D90-L93 HydrophobicContact CB-CG 4.02Å; D90-L93 PolarHBondContact O-N 3.25Å; D90-L93 PolarHBondContact OD1-N 3.1Å; L93-K95 PolarHBondContact O-N 3.01Å; L93-K96 PolarHBondContact O-N 3.21Å; L93-Y97 WeakPolarHBondContact O-CB 3.36Å; L93-Y97 PolarHBondContact O-N 2.89Å; L93-L105 HydrophobicContact CB-CD2 4.43Å; L93-L105 HydrophobicContact CD2-CD2 4.44Å
94	R	70.8	Confident	71.5	Confident	27 Å²	27	49.8 Å²	49.8	10%	0.102	24%	0.238	C	C	.	.	H	α-helix	trans	-54.4	-44.5	176.9	178	171.5	179.7	177.4	2.6	111.4	Y38 R45 A47 I52 V87 L88 D90 Y97 D98	Y38-R94 VanDerWaalsContact OH-CG 3.24Å; Y38-R94 WeakPolarHBondContact OH-CG 3.36Å; Y38-R94 PolarHBondContact OH-NE 3.43Å; R45-R94 PolarHBondContact O-NH2 3.1Å; A47-R94 PolarHBondContact O-NH1 3.17Å; A47-R94 PolarHBondContact O-NH2 3.4Å; I52-R94 VanDerWaalsContact CD1-CZ 3.47Å; V87-R94 WeakPolarHBondContact O-CA 3.48Å; V87-R94 PolarHBondContact O-N 2.89Å; L88-R94 HydrophobicContact CD2-CB 4.36Å; L88-R94 HydrophobicContact CD2-CG 3.77Å; L88-R94 VanDerWaalsContact O-CD 3.32Å; L88-R94 WeakPolarHBondContact O-CD 3.42Å; D90-R94 WeakPolarHBondContact O-CB 3.29Å; D90-R94 PolarHBondContact O-N 3.18Å; R94-Y97 CarbonylContact O-C 3.5Å; R94-Y97 WeakPolarHBondContact O-CB 3.42Å; R94-Y97 PolarHBondContact O-N 2.84Å; R94-D98 PolarHBondContact O-N 3.46Å
95	K	55.9	Low	70.5	Confident	23 Å²	23	50.5 Å²	50.5	10%	0.1	24%	0.242	C	C	.	.	H	α-helix	trans	-84.4	-27.6	-175.3	-67	158	-166.1	-177.1	0	112.6	E91 D92 L93 Y97 D98 K99 W476 P478	E91-K95 VanDerWaalsContact O-CD 3.24Å; E91-K95 WeakPolarHBondContact O-CD 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.21Å; E91-K95 PolarHBondContact O-N 3.05Å; E91-K95 IonicContact OE2-NZ 3.5Å; E91-K95 PolarHBondContact OE2-NZ 3.09Å; D92-K95 PolarHBondContact O-N 2.7Å; L93-K95 PolarHBondContact O-N 3.01Å; K95-Y97 VanDerWaalsContact C-N 3.26Å; K95-D98 PolarHBondContact O-N 2.89Å; K95-K99 WeakPolarHBondContact O-CB 3.37Å; K95-K99 PolarHBondContact O-N 2.62Å; K95-W476 HydrophobicContact CB-CE3 3.98Å; K95-W476 HydrophobicContact CB-CZ3 3.85Å; K95-W476 HydrophobicContact CD-CE3 4.06Å; K95-W476 WeakPolarHBondContact CD-O 3.4Å; K95-W476 WeakPolarHBondContact CE-O 3.32Å; K95-W476 HydrophobicContact CG-CE3 4.06Å; K95-W476 HydrophobicContact CG-CZ3 4.44Å; K95-W476 PolarHBondContact NZ-O 3.08Å; K95-P478 HydrophobicContact CD-CG 3.38Å
96	K	61.9	Low	69.6	Low	82 Å²	82	54.9 Å²	54.9	36%	0.357	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-42.7	164.8	-161.1	178.3	-163.5	-156.3	0	110.2	D92 L93 K99 Y100 G104 L105	D92-K96 WeakPolarHBondContact O-CB 3.48Å; D92-K96 PolarHBondContact O-N 3.42Å; L93-K96 PolarHBondContact O-N 3.21Å; K96-K99 PolarHBondContact O-N 2.74Å; K96-Y100 HydrophobicContact CG-CD2 4.03Å; K96-Y100 WeakPolarHBondContact O-CB 3.18Å; K96-Y100 WeakPolarHBondContact O-CD2 3.34Å; K96-Y100 PolarHBondContact O-N 3.17Å; K96-G104 WeakPolarHBondContact CD-O 3.29Å; K96-G104 WeakPolarHBondContact CE-O 3.49Å; K96-G104 PolarHBondContact NZ-O 2.78Å; K96-L105 HydrophobicContact CB-CD2 4.19Å; K96-L105 HydrophobicContact CD-CD2 4.27Å; K96-L105 HydrophobicContact CG-CD2 4.41Å
97	Y	71.4	Confident	68.4	Low	14 Å²	14	61.2 Å²	61.2	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-44.9	172.9	-179.2	-100.5	0	0	0	112.5	D36 Y37 Y38 V87 L88 L93 R94 K95 K99 G101 E102 L105	D36-Y97 WeakPolarHBondContact CA-OH 3.47Å; Y37-Y97 AromaticContact CD1-CE2 4Å; Y37-Y97 HydrophobicContact CD1-CE2 4Å; Y37-Y97 AromaticContact CD1-CZ 3.91Å; Y37-Y97 AromaticContact CD2-CD1 3.89Å; Y37-Y97 HydrophobicContact CD2-CD1 3.89Å; Y37-Y97 AromaticContact CD2-CD2 3.49Å; Y37-Y97 HydrophobicContact CD2-CD2 3.49Å; Y37-Y97 VanDerWaalsContact CD2-CD2 3.49Å; Y37-Y97 AromaticContact CD2-CE1 3.8Å; Y37-Y97 HydrophobicContact CD2-CE1 3.8Å; Y37-Y97 AromaticContact CD2-CE2 3.36Å; Y37-Y97 HydrophobicContact CD2-CE2 3.36Å; Y37-Y97 AromaticContact CD2-CG 3.74Å; Y37-Y97 HydrophobicContact CD2-CG 3.74Å; Y37-Y97 AromaticContact CD2-CZ 3.52Å; Y37-Y97 HydrophobicContact CE1-CE2 4.19Å; Y37-Y97 AromaticContact CE2-CD2 3.51Å; Y37-Y97 HydrophobicContact CE2-CD2 3.51Å; Y37-Y97 AromaticContact CE2-CE2 3.51Å; Y37-Y97 HydrophobicContact CE2-CE2 3.51Å; Y37-Y97 HydrophobicContact CE2-CG 4.12Å; Y37-Y97 HydrophobicContact CG-CD1 4.34Å; Y37-Y97 HydrophobicContact CG-CD2 4.23Å; Y37-Y97 AromaticContact CG-CE1 3.79Å; Y37-Y97 HydrophobicContact CG-CE1 3.79Å; Y37-Y97 AromaticContact CG-CE2 3.63Å; Y37-Y97 HydrophobicContact CG-CE2 3.63Å; Y37-Y97 AromaticContact CG-CZ 3.38Å; Y37-Y97 AromaticContact CZ-CE2 3.96Å; Y37-Y97 PolarHBondContact N-OH 2.77Å; Y38-Y97 HydrophobicContact CD2-CE1 4.2Å; Y38-Y97 HydrophobicContact CE2-CD1 4.08Å; Y38-Y97 HydrophobicContact CE2-CE1 4.04Å; V87-Y97 HydrophobicContact CG1-CG 4.16Å; L88-Y97 HydrophobicContact CD2-CD1 4.13Å; L93-Y97 WeakPolarHBondContact O-CB 3.36Å; L93-Y97 PolarHBondContact O-N 2.89Å; R94-Y97 CarbonylContact O-C 3.5Å; R94-Y97 WeakPolarHBondContact O-CB 3.42Å; R94-Y97 PolarHBondContact O-N 2.84Å; K95-Y97 VanDerWaalsContact C-N 3.26Å; Y97-K99 VanDerWaalsContact C-N 3.26Å; Y97-K99 PolarHBondContact O-N 2.95Å; Y97-G101 WeakPolarHBondContact O-CA 3.47Å; Y97-G101 PolarHBondContact O-N 3.35Å; Y97-E102 HydrophobicContact CD2-CG 4.37Å; Y97-E102 HydrophobicContact CE2-CG 3.74Å; Y97-L105 HydrophobicContact CD2-CD1 3.74Å; Y97-L105 HydrophobicContact CG-CD1 4.4Å
98	D	57.4	Low	67.1	Low	59 Å²	59	70.1 Å²	70.1	32%	0.316	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-36.8	177	-69.4	-33.8	0	0	0	112.8	Y38 R45 R94 K95	Y38-D98 WeakPolarHBondContact CE2-OD1 3.43Å; Y38-D98 PolarHBondContact OH-OD1 3.34Å; Y38-D98 PolarHBondContact OH-OD2 3.14Å; R45-D98 IonicContact NH1-OD1 3.39Å; R45-D98 PolarHBondContact NH1-OD1 3.43Å; R94-D98 PolarHBondContact O-N 3.46Å; K95-D98 PolarHBondContact O-N 2.89Å
99	K	50.9	Low	65.9	Low	82 Å²	82	72.4 Å²	72.4	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-84.1	-39.6	-176.7	-171.8	171.8	179	-167.9	0	113.4	K95 K96 Y97 W476 Q518	K95-K99 WeakPolarHBondContact O-CB 3.37Å; K95-K99 PolarHBondContact O-N 2.62Å; K96-K99 PolarHBondContact O-N 2.74Å; Y97-K99 VanDerWaalsContact C-N 3.26Å; Y97-K99 PolarHBondContact O-N 2.95Å; K99-W476 HydrophobicContact CD-CH2 4.14Å; K99-Q518 PolarHBondContact NZ-O 3.47Å
100	Y	60.5	Low	64.8	Low	118 Å²	118	70 Å²	70	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-122.7	-1.3	-168.5	-55.2	-69.6	0	0	0	114.1	K96	K96-Y100 HydrophobicContact CG-CD2 4.03Å; K96-Y100 WeakPolarHBondContact O-CB 3.18Å; K96-Y100 WeakPolarHBondContact O-CD2 3.34Å; K96-Y100 PolarHBondContact O-N 3.17Å
101	G	72.6	Confident	64.4	Low	28 Å²	28	69.7 Å²	69.7	29%	0.289	35%	0.351	S	S	.	.			trans	64.1	-161.1	-171	0	0	0	0	0	112.5	Y97 K103 G104	Y97-G101 WeakPolarHBondContact O-CA 3.47Å; Y97-G101 PolarHBondContact O-N 3.35Å; G101-K103 PolarHBondContact O-N 3.46Å; G101-G104 PolarHBondContact O-N 2.9Å
102	E	77.4	Confident	65.1	Low	41 Å²	41	78.1 Å²	78.1	19%	0.192	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-60.1	-28.9	177.4	-76.9	-155.8	-156.7	0	0	113.3	Y37 R83 Y97 G104 L105	Y37-E102 HydrophobicContact CE1-CG 3.95Å; Y37-E102 WeakPolarHBondContact CE1-OE1 3.42Å; Y37-E102 HydrophobicContact CE2-CG 4.47Å; Y37-E102 PolarHBondContact OH-OE1 3.07Å; R83-E102 IonicContact CZ-OE2 3.11Å; R83-E102 IonicContact NH1-OE2 3.96Å; R83-E102 PolarHBondContact NH1-OE2 3.35Å; R83-E102 IonicContact NH2-OE2 3.25Å; Y97-E102 HydrophobicContact CD2-CG 4.37Å; Y97-E102 HydrophobicContact CE2-CG 3.74Å; E102-G104 PolarHBondContact O-N 3.06Å; E102-G104 VanDerWaalsContact O-N 3.13Å; E102-L105 WeakPolarHBondContact O-CB 3.22Å; E102-L105 PolarHBondContact O-N 3.18Å
103	K	70.9	Confident	66.2	Low	203 Å²	203	77.2 Å²	77.2	88%	0.883	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.9	179.7	-63.9	-177	-177.9	178.2	0	113.4	G101 L105	G101-K103 PolarHBondContact O-N 3.46Å; K103-L105 VanDerWaalsContact C-N 3.33Å
104	G	64.3	Low	67.2	Low	13 Å²	13	79.1 Å²	79.1	13%	0.134	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-79	-13.6	174.1	0	0	0	0	0	113.4	K96 G101 E102	K96-G104 WeakPolarHBondContact CD-O 3.29Å; K96-G104 WeakPolarHBondContact CE-O 3.49Å; K96-G104 PolarHBondContact NZ-O 2.78Å; G101-G104 PolarHBondContact O-N 2.9Å; E102-G104 PolarHBondContact O-N 3.06Å; E102-G104 VanDerWaalsContact O-N 3.13Å
105	L	71.9	Confident	68.1	Low	15 Å²	15	80.4 Å²	80.4	8%	0.079	39%	0.393	C	S	.	.	S	Bend	trans	-100.7	149.7	-171.4	-57.1	173.1	0	0	0	111.5	Y37 V87 L93 K96 Y97 E102 K103	Y37-L105 HydrophobicContact CE2-CD1 3.64Å; V87-L105 HydrophobicContact CB-CD1 4.37Å; V87-L105 HydrophobicContact CG1-CD1 3.76Å; V87-L105 HydrophobicContact CG1-CD2 4.21Å; V87-L105 HydrophobicContact CG2-CD1 3.73Å; L93-L105 HydrophobicContact CB-CD2 4.43Å; L93-L105 HydrophobicContact CD2-CD2 4.44Å; K96-L105 HydrophobicContact CB-CD2 4.19Å; K96-L105 HydrophobicContact CD-CD2 4.27Å; K96-L105 HydrophobicContact CG-CD2 4.41Å; Y97-L105 HydrophobicContact CD2-CD1 3.74Å; Y97-L105 HydrophobicContact CG-CD1 4.4Å; E102-L105 WeakPolarHBondContact O-CB 3.22Å; E102-L105 PolarHBondContact O-N 3.18Å; K103-L105 VanDerWaalsContact C-N 3.33Å
106	D	73	Confident	69.8	Low	102 Å²	102	81.1 Å²	81.1	55%	0.545	40%	0.395	S	S	.	.			trans	-74.6	140.7	172.7	-68.8	-29.8	0	0	0	110.4	Q108 Q109	D106-Q108 PolarHBondContact O-N 2.97Å; D106-Q108 VanDerWaalsContact O-N 3.11Å; D106-Q109 PolarHBondContact O-N 2.97Å
107	E	62.6	Low	71.1	Confident	185 Å²	185	81.7 Å²	81.7	86%	0.864	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.5	-178.1	-72.3	-174.5	167	0	0	113.9
108	Q	58.8	Low	72	Confident	187 Å²	187	82.4 Å²	82.4	87%	0.874	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.5	-177.1	-69	-169.7	-13.9	0	0	114.9	D106	D106-Q108 PolarHBondContact O-N 2.97Å; D106-Q108 VanDerWaalsContact O-N 3.11Å
109	Q	57.9	Low	73.6	Confident	50 Å²	50	79.9 Å²	79.9	23%	0.234	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	122.7	-179.7	-68.3	175.6	-6.1	0	0	110.8	R83 D106	R83-Q109 WeakPolarHBondContact CD-O 3.32Å; R83-Q109 WeakPolarHBondContact CG-O 3.36Å; R83-Q109 PolarHBondContact NE-O 3.11Å; D106-Q109 PolarHBondContact O-N 2.97Å
110	G	56.3	Low	75.4	Confident	11 Å²	11	81.3 Å²	81.3	11%	0.113	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.4	2.8	173.1	0	0	0	0	0	117.4	N82 R112	N82-G110 PolarHBondContact ND2-O 3.42Å; N82-G110 VanDerWaalsContact ND2-O 3.14Å; G110-R112 VanDerWaalsContact C-N 3.3Å; G110-R112 PolarHBondContact O-N 3.05Å
111	G	63	Low	76.6	Confident	54 Å²	54	81.8 Å²	81.8	56%	0.557	40%	0.397	S	S	*	.			trans	-74.9	-5	-175.2	0	0	0	0	0	116.8
112	R	77	Confident	77.3	Confident	230 Å²	230	81.9 Å²	81.9	87%	0.868	39%	0.39	S	S	*	.			trans	-126.8	133.5	177.6	-78.2	-179.8	163.5	168.7	-4.1	110.1	N82 G110	N82-R112 PolarHBondContact ND2-O 3.02Å; G110-R112 VanDerWaalsContact C-N 3.3Å; G110-R112 PolarHBondContact O-N 3.05Å
113	Y	86.1	Confident	77.8	Confident	66 Å²	66	80.7 Å²	80.7	26%	0.259	39%	0.385	S	S	.	.			trans	-132.1	162.7	174.3	58.1	-105.3	0	0	0	109.7	H64 H75 F78 Y119	H64-Y113 AromaticContact NE2-CD2 3.71Å; H64-Y113 AromaticContact NE2-CE2 3.69Å; H75-Y113 AromaticContact CE1-CE1 3.54Å; H75-Y113 AromaticContact CE1-CZ 3.9Å; H75-Y113 PolarHBondContact CE1-OH 2.9Å; H75-Y113 AromaticContact ND1-CE1 3.54Å; H75-Y113 AromaticContact ND1-CZ 3.59Å; H75-Y113 PolarHBondContact ND1-OH 2.82Å; F78-Y113 AromaticContact CD1-CD1 3.75Å; F78-Y113 HydrophobicContact CD1-CD1 3.75Å; F78-Y113 AromaticContact CD1-CD2 3.87Å; F78-Y113 HydrophobicContact CD1-CD2 3.87Å; F78-Y113 AromaticContact CD1-CE1 3.96Å; F78-Y113 HydrophobicContact CD1-CE1 3.96Å; F78-Y113 HydrophobicContact CD1-CE2 4.08Å; F78-Y113 AromaticContact CD1-CG 3.71Å; F78-Y113 HydrophobicContact CD1-CG 3.71Å; F78-Y113 AromaticContact CE1-CD1 3.95Å; F78-Y113 HydrophobicContact CE1-CD1 3.95Å; F78-Y113 AromaticContact CE1-CD2 3.53Å; F78-Y113 HydrophobicContact CE1-CD2 3.53Å; F78-Y113 HydrophobicContact CE1-CE2 4.15Å; F78-Y113 AromaticContact CE1-CG 3.43Å; F78-Y113 HydrophobicContact CE1-CG 3.43Å; F78-Y113 VanDerWaalsContact CE1-CG 3.43Å; Y113-Y119 WeakPolarHBondContact CB-OH 3.24Å
114	E	90	Very high	78.5	Confident	71 Å²	71	71.4 Å²	71.4	33%	0.332	35%	0.347	S	S	.	.			trans	-91.3	165.2	-176.9	-71	-67.1	170.2	0	0	112	H64 F118 Y119 R158	H64-E114 PolarHBondContact NE2-O 3.24Å; E114-F118 HydrophobicContact CB-CB 3.89Å; E114-F118 HydrophobicContact CB-CD1 3.25Å; E114-F118 HydrophobicContact CB-CE1 3.86Å; E114-F118 HydrophobicContact CB-CG 3.65Å; E114-F118 HydrophobicContact CG-CD1 3.64Å; E114-F118 HydrophobicContact CG-CE1 3.74Å; E114-F118 HydrophobicContact CG-CG 4.04Å; E114-F118 HydrophobicContact CG-CZ 4.23Å; E114-Y119 HydrophobicContact CB-CE1 4.22Å; E114-Y119 HydrophobicContact CB-CE2 3.96Å; E114-Y119 PolarHBondContact N-OH 3.37Å; E114-Y119 WeakPolarHBondContact O-CE2 3.48Å; E114-R158 IonicContact OE1-CZ 2.98Å; E114-R158 IonicContact OE1-NH2 3.01Å; E114-R158 PolarHBondContact OE1-NH2 3.49Å; E114-R158 IonicContact OE2-CZ 3.81Å; E114-R158 IonicContact OE2-NH2 3.76Å; E114-R158 PolarHBondContact OE2-NH2 3.34Å
115	S	90.6	Very high	79.8	Confident	55 Å²	55	71.3 Å²	71.3	39%	0.385	34%	0.343	S	S	.	.			trans	-62.6	158.1	177.9	69.7	0	0	0	0	112.8	N117 F118 Y119	S115-N117 PolarHBondContact O-N 2.9Å; S115-F118 WeakPolarHBondContact O-CB 3.41Å; S115-F118 PolarHBondContact O-N 3.3Å; S115-F118 PolarHBondContact OG-N 3.49Å; S115-Y119 WeakPolarHBondContact O-CD2 3.47Å; S115-Y119 PolarHBondContact O-N 3Å
116	W	92.3	Very high	80.9	Confident	38 Å²	38	70.6 Å²	70.6	14%	0.144	34%	0.339	C	S	.	.	H	α-helix	trans	-55.7	-38.3	174.8	-178.8	87.1	0	0	0	112.6	L61 H64 D66 K67 F118 Y119 R120	L61-W116 HydrophobicContact CD2-CD2 4.49Å; L61-W116 HydrophobicContact CD2-CZ2 4Å; L61-W116 PolarHBondContact O-NE1 2.93Å; H64-W116 HydrophobicContact CB-CB 4.18Å; H64-W116 HydrophobicContact CB-CG 4.35Å; H64-W116 PolarHBondContact CE1-N 3.17Å; H64-W116 PolarHBondContact NE2-N 2.91Å; D66-W116 HydrophobicContact CB-CB 4.17Å; K67-W116 HydrophobicContact CD-CD2 4.37Å; K67-W116 VanDerWaalsContact CG-CD1 3.45Å; K67-W116 HydrophobicContact CG-CD2 4.2Å; K67-W116 HydrophobicContact CG-CG 3.92Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 2.64Å; W116-Y119 PolarHBondContact O-N 3.38Å; W116-R120 HydrophobicContact CD2-CB 4.48Å; W116-R120 HydrophobicContact CE3-CB 4.22Å; W116-R120 HydrophobicContact CH2-CB 4.03Å; W116-R120 HydrophobicContact CH2-CG 3.68Å; W116-R120 HydrophobicContact CZ2-CB 4.29Å; W116-R120 HydrophobicContact CZ2-CG 4.18Å; W116-R120 HydrophobicContact CZ3-CB 3.99Å; W116-R120 HydrophobicContact CZ3-CG 3.96Å; W116-R120 WeakPolarHBondContact O-CB 3.14Å; W116-R120 PolarHBondContact O-N 2.89Å
117	N	88.4	Confident	81.6	Confident	94 Å²	94	65.8 Å²	65.8	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-38.5	178.2	-76.5	-26.7	0	0	0	112	S115 R120 Y121	S115-N117 PolarHBondContact O-N 2.9Å; N117-R120 PolarHBondContact O-N 3.13Å; N117-Y121 HydrophobicContact CB-CD2 4.44Å; N117-Y121 VanDerWaalsContact O-CD2 3.27Å; N117-Y121 WeakPolarHBondContact O-CD2 3.45Å; N117-Y121 PolarHBondContact O-N 2.99Å
118	F	89.9	Confident	82.8	Confident	28 Å²	28	61.8 Å²	61.8	12%	0.123	30%	0.298	C	S	.	.	I	π-helix	trans	-61.4	-49.8	175.7	172.8	-90.7	0	0	0	110.8	E114 S115 W116 R120 Y121 D122 F123 P157 R158	E114-F118 HydrophobicContact CB-CB 3.89Å; E114-F118 HydrophobicContact CB-CD1 3.25Å; E114-F118 HydrophobicContact CB-CE1 3.86Å; E114-F118 HydrophobicContact CB-CG 3.65Å; E114-F118 HydrophobicContact CG-CD1 3.64Å; E114-F118 HydrophobicContact CG-CE1 3.74Å; E114-F118 HydrophobicContact CG-CG 4.04Å; E114-F118 HydrophobicContact CG-CZ 4.23Å; S115-F118 WeakPolarHBondContact O-CB 3.41Å; S115-F118 PolarHBondContact O-N 3.3Å; S115-F118 PolarHBondContact OG-N 3.49Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 2.64Å; F118-R120 PolarHBondContact O-N 3.03Å; F118-Y121 PolarHBondContact O-N 3.02Å; F118-D122 HydrophobicContact CD2-CB 3.46Å; F118-D122 VanDerWaalsContact CD2-CB 3.46Å; F118-D122 WeakPolarHBondContact CD2-OD2 3.35Å; F118-D122 HydrophobicContact CE2-CB 3.71Å; F118-D122 HydrophobicContact CG-CB 4.09Å; F118-D122 CarbonylContact O-C 3.52Å; F118-D122 WeakPolarHBondContact O-CA 3.49Å; F118-D122 WeakPolarHBondContact O-CB 3.39Å; F118-D122 PolarHBondContact O-N 3.22Å; F118-F123 HydrophobicContact CD1-CB 4.32Å; F118-F123 HydrophobicContact CE1-CB 4.06Å; F118-F123 AromaticContact CE1-CD2 3.95Å; F118-F123 HydrophobicContact CE1-CD2 3.95Å; F118-F123 HydrophobicContact CE1-CG 4.49Å; F118-F123 PolarHBondContact O-N 3.4Å; F118-P157 HydrophobicContact CE2-CB 3.89Å; F118-P157 HydrophobicContact CZ-CB 4.37Å; F118-R158 HydrophobicContact CD2-CG 4.21Å; F118-R158 HydrophobicContact CE2-CG 4.31Å
119	Y	90.5	Very high	84.4	Confident	7 Å²	7	53.8 Å²	53.8	3%	0.027	26%	0.261	C	S	.	.	I	π-helix	trans	-64	-28.1	178.8	-63.8	-58.4	0	0	0	113.2	F56 A60 F78 N82 Y113 E114 S115 W116 F123	F56-Y119 AromaticContact CE1-CD1 3.97Å; F56-Y119 HydrophobicContact CE1-CD1 3.97Å; F56-Y119 AromaticContact CE1-CE1 3.48Å; F56-Y119 HydrophobicContact CE1-CE1 3.48Å; F56-Y119 VanDerWaalsContact CE1-CE1 3.48Å; F56-Y119 AromaticContact CZ-CE1 3.85Å; F56-Y119 HydrophobicContact CZ-CE1 3.85Å; F56-Y119 AromaticContact CZ-CZ 3.92Å; A60-Y119 HydrophobicContact CB-CD1 4.26Å; A60-Y119 HydrophobicContact CB-CD2 3.93Å; A60-Y119 HydrophobicContact CB-CE2 4.41Å; A60-Y119 HydrophobicContact CB-CG 3.83Å; F78-Y119 HydrophobicContact CE1-CE2 4.05Å; F78-Y119 HydrophobicContact CZ-CD2 4.31Å; F78-Y119 AromaticContact CZ-CE2 3.67Å; F78-Y119 HydrophobicContact CZ-CE2 3.67Å; N82-Y119 PolarHBondContact OD1-OH 2.88Å; Y113-Y119 WeakPolarHBondContact CB-OH 3.24Å; E114-Y119 HydrophobicContact CB-CE1 4.22Å; E114-Y119 HydrophobicContact CB-CE2 3.96Å; E114-Y119 PolarHBondContact N-OH 3.37Å; E114-Y119 WeakPolarHBondContact O-CE2 3.48Å; S115-Y119 WeakPolarHBondContact O-CD2 3.47Å; S115-Y119 PolarHBondContact O-N 3Å; W116-Y119 PolarHBondContact O-N 3.38Å; Y119-F123 HydrophobicContact CD1-CB 4.05Å; Y119-F123 HydrophobicContact CD1-CD2 4.07Å; Y119-F123 AromaticContact CD1-CG 3.98Å; Y119-F123 HydrophobicContact CD1-CG 3.98Å; Y119-F123 HydrophobicContact CE1-CD2 4.29Å
120	R	89.9	Confident	85.8	Confident	111 Å²	111	57.9 Å²	57.9	42%	0.419	28%	0.284	S	S	.	.	I	π-helix	trans	-76.8	-38	179	-176.9	61.6	-174.8	81.5	-2.3	114.4	L61 W116 N117 F118	L61-R120 HydrophobicContact CD2-CB 3.61Å; L61-R120 HydrophobicContact CD2-CG 4.24Å; W116-R120 HydrophobicContact CD2-CB 4.48Å; W116-R120 HydrophobicContact CE3-CB 4.22Å; W116-R120 HydrophobicContact CH2-CB 4.03Å; W116-R120 HydrophobicContact CH2-CG 3.68Å; W116-R120 HydrophobicContact CZ2-CB 4.29Å; W116-R120 HydrophobicContact CZ2-CG 4.18Å; W116-R120 HydrophobicContact CZ3-CB 3.99Å; W116-R120 HydrophobicContact CZ3-CG 3.96Å; W116-R120 WeakPolarHBondContact O-CB 3.14Å; W116-R120 PolarHBondContact O-N 2.89Å; N117-R120 PolarHBondContact O-N 3.13Å; F118-R120 PolarHBondContact O-N 3.03Å
121	Y	85.6	Confident	87.4	Confident	129 Å²	129	59.3 Å²	59.3	51%	0.506	29%	0.288	S	S	.	.	I	π-helix	trans	-117.3	-42.4	-169.6	-59.3	-64.4	0	0	0	112.7	N117 F118 H163	N117-Y121 HydrophobicContact CB-CD2 4.44Å; N117-Y121 VanDerWaalsContact O-CD2 3.27Å; N117-Y121 WeakPolarHBondContact O-CD2 3.45Å; N117-Y121 PolarHBondContact O-N 2.99Å; F118-Y121 PolarHBondContact O-N 3.02Å; Y121-H163 PolarHBondContact O-CE1 3.36Å
122	D	86.2	Confident	88.9	Confident	29 Å²	29	56.9 Å²	56.9	16%	0.155	26%	0.262	C	S	.	.	I	π-helix	trans	-93.3	-27.3	-171.1	-57.8	-39.7	0	0	0	113.6	F118 I125 P157 H163	F118-D122 HydrophobicContact CD2-CB 3.46Å; F118-D122 VanDerWaalsContact CD2-CB 3.46Å; F118-D122 WeakPolarHBondContact CD2-OD2 3.35Å; F118-D122 HydrophobicContact CE2-CB 3.71Å; F118-D122 HydrophobicContact CG-CB 4.09Å; F118-D122 CarbonylContact O-C 3.52Å; F118-D122 WeakPolarHBondContact O-CA 3.49Å; F118-D122 WeakPolarHBondContact O-CB 3.39Å; F118-D122 PolarHBondContact O-N 3.22Å; D122-I125 VanDerWaalsContact O-CG1 3.28Å; D122-I125 WeakPolarHBondContact O-CG1 3.33Å; D122-P157 HydrophobicContact CB-CB 3.91Å; D122-H163 IonicContact OD1-CD2 3.69Å; D122-H163 IonicContact OD1-CE1 2.66Å; D122-H163 PolarHBondContact OD1-CE1 2.72Å; D122-H163 IonicContact OD1-NE2 3.76Å; D122-H163 PolarHBondContact OD1-NE2 3.34Å
123	F	87.8	Confident	89.6	Confident	17 Å²	17	47.7 Å²	47.7	8%	0.075	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	127.8	-174	-174.8	-93.6	0	0	0	113	R53 F56 K57 Y85 F118 Y119 I125	R53-F123 HydrophobicContact CB-CE1 4.04Å; R53-F123 HydrophobicContact CB-CZ 4.05Å; R53-F123 HydrophobicContact CG-CE1 4.48Å; R53-F123 HydrophobicContact CG-CZ 4.01Å; R53-F123 WeakPolarHBondContact O-CE1 3.45Å; F56-F123 HydrophobicContact CD1-CE1 4.09Å; F56-F123 HydrophobicContact CD1-CE2 4.34Å; F56-F123 AromaticContact CD1-CZ 3.74Å; F56-F123 HydrophobicContact CD1-CZ 3.74Å; F56-F123 HydrophobicContact CE1-CE2 4.36Å; F56-F123 HydrophobicContact CE1-CZ 4.21Å; K57-F123 HydrophobicContact CB-CD1 3.86Å; K57-F123 HydrophobicContact CB-CE1 3.9Å; K57-F123 HydrophobicContact CD-CD1 4.04Å; K57-F123 WeakPolarHBondContact CE-O 3.47Å; K57-F123 HydrophobicContact CG-CD1 3.94Å; K57-F123 HydrophobicContact CG-CE1 4.49Å; K57-F123 PolarHBondContact NZ-O 2.99Å; Y85-F123 AromaticContact CE1-CE2 3.96Å; Y85-F123 HydrophobicContact CE1-CE2 3.96Å; Y85-F123 HydrophobicContact CE1-CZ 4.1Å; Y85-F123 AromaticContact CE2-CZ 3.94Å; Y85-F123 HydrophobicContact CE2-CZ 3.94Å; Y85-F123 AromaticContact CZ-CE2 3.65Å; Y85-F123 AromaticContact CZ-CZ 3.48Å; Y85-F123 VanDerWaalsContact CZ-CZ 3.48Å; Y85-F123 WeakPolarHBondContact OH-CE2 3.47Å; Y85-F123 VanDerWaalsContact OH-CZ 3.24Å; Y85-F123 WeakPolarHBondContact OH-CZ 3.42Å; F118-F123 HydrophobicContact CD1-CB 4.32Å; F118-F123 HydrophobicContact CE1-CB 4.06Å; F118-F123 AromaticContact CE1-CD2 3.95Å; F118-F123 HydrophobicContact CE1-CD2 3.95Å; F118-F123 HydrophobicContact CE1-CG 4.49Å; F118-F123 PolarHBondContact O-N 3.4Å; Y119-F123 HydrophobicContact CD1-CB 4.05Å; Y119-F123 HydrophobicContact CD1-CD2 4.07Å; Y119-F123 AromaticContact CD1-CG 3.98Å; Y119-F123 HydrophobicContact CD1-CG 3.98Å; Y119-F123 HydrophobicContact CE1-CD2 4.29Å; F123-I125 PolarHBondContact O-N 2.85Å
124	G	85.9	Confident	89.9	Confident	8 Å²	8	46.2 Å²	46.2	8%	0.082	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	49.6	176.1	0	0	0	0	0	112.1	Y126 D127	G124-Y126 PolarHBondContact O-N 2.93Å; G124-Y126 VanDerWaalsContact O-N 3.09Å; G124-D127 VanDerWaalsContact CA-OD2 3.25Å; G124-D127 WeakPolarHBondContact CA-OD2 3.44Å; G124-D127 PolarHBondContact O-N 3.37Å; G124-D127 VanDerWaalsContact O-N 3.12Å
125	I	92.1	Very high	89.8	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.051	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.8	-173.7	-60.1	-176.2	0	0	0	111.5	D122 F123 Y155 H163 A166 R170	D122-I125 VanDerWaalsContact O-CG1 3.28Å; D122-I125 WeakPolarHBondContact O-CG1 3.33Å; F123-I125 PolarHBondContact O-N 2.85Å; I125-Y155 HydrophobicContact CB-CE2 4.28Å; I125-Y155 HydrophobicContact CD1-CD2 3.9Å; I125-Y155 HydrophobicContact CD1-CE2 3.69Å; I125-Y155 HydrophobicContact CG1-CE2 4.09Å; I125-H163 VanDerWaalsContact CD1-CE1 3.49Å; I125-H163 WeakPolarHBondContact CD1-CE1 3.48Å; I125-A166 HydrophobicContact CG2-CB 3.69Å; I125-R170 PolarHBondContact O-NH2 3.32Å
126	Y	94.1	Very high	89.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	10.5	-177.1	-55.9	-61.6	0	0	0	114.1	G124 D128 D129 I132 N153 Y155 A166 W169 A184	G124-Y126 PolarHBondContact O-N 2.93Å; G124-Y126 VanDerWaalsContact O-N 3.09Å; Y126-D128 PolarHBondContact O-N 3.46Å; Y126-D129 WeakPolarHBondContact CA-OD2 3.49Å; Y126-D129 PolarHBondContact O-N 3.17Å; Y126-I132 HydrophobicContact CD1-CD1 3.41Å; Y126-I132 VanDerWaalsContact CD1-CD1 3.41Å; Y126-I132 HydrophobicContact CD1-CG2 4.36Å; Y126-I132 HydrophobicContact CD2-CG2 4.38Å; Y126-I132 HydrophobicContact CE1-CD1 3.89Å; Y126-I132 HydrophobicContact CG-CD1 4.08Å; Y126-I132 HydrophobicContact CG-CG2 3.94Å; Y126-N153 PolarHBondContact OH-ND2 3.33Å; Y126-Y155 HydrophobicContact CD2-CD1 4.32Å; Y126-Y155 AromaticContact CD2-CE1 3.84Å; Y126-Y155 HydrophobicContact CD2-CE1 3.84Å; Y126-Y155 AromaticContact CE2-CD1 3.89Å; Y126-Y155 HydrophobicContact CE2-CD1 3.89Å; Y126-Y155 AromaticContact CE2-CE1 3.88Å; Y126-Y155 HydrophobicContact CE2-CE1 3.88Å; Y126-Y155 HydrophobicContact CE2-CG 4.28Å; Y126-A166 HydrophobicContact CE1-CB 3.95Å; Y126-W169 HydrophobicContact CE1-CB 4.31Å; Y126-W169 AromaticContact CE1-CD1 3.84Å; Y126-W169 HydrophobicContact CE1-CG 4.46Å; Y126-W169 AromaticContact CZ-CD1 3.82Å; Y126-A184 HydrophobicContact CD2-CB 3.46Å; Y126-A184 VanDerWaalsContact CD2-CB 3.46Å; Y126-A184 HydrophobicContact CE2-CB 3.85Å; Y126-A184 HydrophobicContact CG-CB 4.27Å
127	D	88.1	Confident	88.9	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.011	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.6	-175	-77.3	-8.9	0	0	0	113.5	R50 R53 Q54 G124	R50-D127 PolarHBondContact NE-O 3.37Å; R50-D127 PolarHBondContact NH2-O 2.9Å; R53-D127 VanDerWaalsContact CB-OD2 3.24Å; R53-D127 WeakPolarHBondContact CB-OD2 2.97Å; R53-D127 WeakPolarHBondContact CD-OD2 3.16Å; R53-D127 IonicContact CZ-OD1 3.09Å; R53-D127 IonicContact CZ-OD2 2.82Å; R53-D127 IonicContact NE-OD1 2.74Å; R53-D127 PolarHBondContact NE-OD1 3.34Å; R53-D127 VanDerWaalsContact NE-OD1 3.16Å; R53-D127 IonicContact NE-OD2 2.83Å; R53-D127 PolarHBondContact NE-OD2 2.94Å; R53-D127 IonicContact NH2-OD1 3.23Å; R53-D127 PolarHBondContact NH2-OD1 3.03Å; R53-D127 IonicContact NH2-OD2 3.95Å; Q54-D127 HydrophobicContact CG-CB 4.11Å; Q54-D127 PolarHBondContact NE2-O 2.81Å; G124-D127 VanDerWaalsContact CA-OD2 3.25Å; G124-D127 WeakPolarHBondContact CA-OD2 3.44Å; G124-D127 PolarHBondContact O-N 3.37Å; G124-D127 VanDerWaalsContact O-N 3.12Å
128	D	88.8	Confident	88.2	Confident	100 Å²	100	42 Å²	42	54%	0.535	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.6	179.1	-58.8	-45	0	0	0	112.2	Q54 Y126	Q54-D128 PolarHBondContact NE2-OD1 3.23Å; Y126-D128 PolarHBondContact O-N 3.46Å
129	D	91.6	Very high	87.7	Confident	20 Å²	20	41.5 Å²	41.5	11%	0.107	22%	0.223	C	C	.	.			trans	-98.9	117.7	-177.6	-58.4	-60.5	0	0	0	109.4	R50 Y126 I132 R170	R50-D129 PolarHBondContact NH1-O 3.44Å; R50-D129 VanDerWaalsContact NH1-O 3.07Å; R50-D129 PolarHBondContact NH2-O 2.86Å; R50-D129 VanDerWaalsContact NH2-O 3.14Å; Y126-D129 WeakPolarHBondContact CA-OD2 3.49Å; Y126-D129 PolarHBondContact O-N 3.17Å; D129-I132 HydrophobicContact CB-CB 4.14Å; D129-I132 HydrophobicContact CB-CD1 3.83Å; D129-I132 HydrophobicContact CB-CG1 4.11Å; D129-R170 WeakPolarHBondContact OD1-CD 3.25Å; D129-R170 WeakPolarHBondContact OD1-CG 3.36Å; D129-R170 IonicContact OD1-NE 3.37Å; D129-R170 PolarHBondContact OD1-NE 3.39Å; D129-R170 WeakPolarHBondContact OD2-CD 3.44Å; D129-R170 WeakPolarHBondContact OD2-CG 3.4Å; D129-R170 IonicContact OD2-CZ 2.89Å; D129-R170 IonicContact OD2-NE 3.08Å; D129-R170 PolarHBondContact OD2-NE 3.4Å; D129-R170 IonicContact OD2-NH2 3.95Å
130	L	87.3	Confident	87.6	Confident	135 Å²	135	41.2 Å²	41.2	71%	0.707	22%	0.221	S	C	*	.	S	Bend	trans	-75.5	-34	-176.2	-69.7	173.2	0	0	0	111.7	I132	L130-I132 VanDerWaalsContact C-N 3.27Å; L130-I132 PolarHBondContact O-N 3.06Å
131	E	90.7	Very high	87.4	Confident	42 Å²	42	39.6 Å²	39.6	20%	0.196	22%	0.219	C	C	.	.	S	Bend	trans	-76.7	-11.8	-178.1	-59.3	79.4	-173.8	0	0	113.3	A173 K174 D177 R336	E131-A173 HydrophobicContact CB-CB 3.85Å; E131-K174 HydrophobicContact CG-CG 4.33Å; E131-D177 HydrophobicContact CG-CB 4.18Å; E131-R336 IonicContact OE1-NH2 3.7Å
132	I	94.9	Very high	87.3	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.8	-180	-58.7	170.2	0	0	0	109.6	Y126 D129 L130 R170 A173 I182 A184	Y126-I132 HydrophobicContact CD1-CD1 3.41Å; Y126-I132 VanDerWaalsContact CD1-CD1 3.41Å; Y126-I132 HydrophobicContact CD1-CG2 4.36Å; Y126-I132 HydrophobicContact CD2-CG2 4.38Å; Y126-I132 HydrophobicContact CE1-CD1 3.89Å; Y126-I132 HydrophobicContact CG-CD1 4.08Å; Y126-I132 HydrophobicContact CG-CG2 3.94Å; D129-I132 HydrophobicContact CB-CB 4.14Å; D129-I132 HydrophobicContact CB-CD1 3.83Å; D129-I132 HydrophobicContact CB-CG1 4.11Å; L130-I132 VanDerWaalsContact C-N 3.27Å; L130-I132 PolarHBondContact O-N 3.06Å; I132-R170 HydrophobicContact CD1-CG 3.9Å; I132-A173 HydrophobicContact CD1-CB 4.28Å; I132-A173 HydrophobicContact CG1-CB 3.65Å; I132-I182 HydrophobicContact CG1-CG2 4.35Å; I132-A184 HydrophobicContact CG2-CB 3.66Å
133	I	91.1	Very high	87.4	Confident	38 Å²	38	33 Å²	33	20%	0.195	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.4	-179.4	-57.1	168.9	0	0	0	108.9	L135 W150 I182 G183 A184 Y438	I133-L135 HydrophobicContact CG2-CD2 3.96Å; I133-L135 PolarHBondContact O-N 3.05Å; I133-W150 HydrophobicContact CB-CH2 4.12Å; I133-W150 HydrophobicContact CB-CZ3 4.02Å; I133-W150 HydrophobicContact CD1-CH2 3.51Å; I133-W150 HydrophobicContact CD1-CZ2 4.34Å; I133-W150 HydrophobicContact CD1-CZ3 4Å; I133-W150 HydrophobicContact CG1-CH2 4.41Å; I133-W150 HydrophobicContact CG2-CH2 4.01Å; I133-W150 HydrophobicContact CG2-CZ3 4.22Å; I133-I182 PolarHBondContact N-O 3.25Å; I133-G183 CarbonylContact O-C 3.56Å; I133-G183 VanDerWaalsContact O-CA 3.3Å; I133-G183 WeakPolarHBondContact O-CA 3.27Å; I133-A184 PolarHBondContact O-N 3.23Å; I133-Y438 HydrophobicContact CD1-CE1 4.37Å
134	T	91.4	Very high	87.5	Confident	35 Å²	35	32.2 Å²	32.2	22%	0.215	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118	174	63.1	0	0	0	0	110.2	R53 A184	R53-T134 PolarHBondContact NH2-OG1 3.1Å; T134-A184 CarbonylContact C-O 3.5Å; T134-A184 WeakPolarHBondContact CA-O 3.25Å
135	L	89.4	Confident	87.5	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.026	21%	0.207	C	C	.	.			trans	-102.4	141.9	179.9	-61.5	174.7	0	0	0	110.7	I133 D139 F140 A143 W150 V152 A184 V185	I133-L135 HydrophobicContact CG2-CD2 3.96Å; I133-L135 PolarHBondContact O-N 3.05Å; L135-D139 HydrophobicContact CD2-CB 4.45Å; L135-F140 HydrophobicContact CB-CD2 4.25Å; L135-F140 HydrophobicContact CD1-CD2 3.98Å; L135-F140 HydrophobicContact CD1-CE2 4.37Å; L135-A143 HydrophobicContact CD1-CB 4.05Å; L135-A143 HydrophobicContact CD2-CB 3.67Å; L135-W150 HydrophobicContact CD1-CE3 3.98Å; L135-W150 HydrophobicContact CD1-CZ3 3.79Å; L135-W150 HydrophobicContact CD2-CH2 4.17Å; L135-W150 HydrophobicContact CD2-CZ3 4.08Å; L135-W150 HydrophobicContact CG-CZ3 4.18Å; L135-V152 HydrophobicContact CD1-CG2 4.37Å; L135-A184 PolarHBondContact N-O 3.29Å; L135-V185 HydrophobicContact CB-CG2 3.92Å
136	D	83.9	Confident	87	Confident	50 Å²	50	35 Å²	35	27%	0.267	21%	0.205	S	C	.	.			trans	-118.9	-176.6	174	60	42.8	0	0	0	110.9	G138 D139 F140 N190 K434	D136-G138 PolarHBondContact O-N 3.44Å; D136-G138 WeakPolarHBondContact OD1-CA 3.25Å; D136-G138 PolarHBondContact OD1-N 2.93Å; D136-D139 PolarHBondContact O-N 2.99Å; D136-D139 PolarHBondContact OD1-N 3.44Å; D136-F140 VanDerWaalsContact O-CB 3.23Å; D136-F140 WeakPolarHBondContact O-CB 3.48Å; D136-F140 PolarHBondContact O-N 3.47Å; D136-F140 VanDerWaalsContact O-N 3.09Å; D136-N190 WeakPolarHBondContact CA-OD1 3.49Å; D136-K434 IonicContact OD2-NZ 3.51Å
137	S	79.9	Confident	86.3	Confident	53 Å²	53	36.6 Å²	36.6	37%	0.371	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.5	-179.3	-59.8	0	0	0	0	114.5	N190	S137-N190 PolarHBondContact N-OD1 2.97Å; S137-N190 PolarHBondContact OG-OD1 2.95Å
138	G	74	Confident	86.2	Confident	60 Å²	60	37.4 Å²	37.4	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-35.8	-178.9	0	0	0	0	0	113	D136	D136-G138 PolarHBondContact O-N 3.44Å; D136-G138 WeakPolarHBondContact OD1-CA 3.25Å; D136-G138 PolarHBondContact OD1-N 2.93Å
139	D	79.3	Confident	86.3	Confident	19 Å²	19	34.3 Å²	34.3	10%	0.102	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-18.5	-174.7	-67.7	-27.8	0	0	0	114.5	L135 D136 E141 A142 A143 K434 N439	L135-D139 HydrophobicContact CD2-CB 4.45Å; D136-D139 PolarHBondContact O-N 2.99Å; D136-D139 PolarHBondContact OD1-N 3.44Å; D139-E141 PolarHBondContact O-N 3.35Å; D139-A142 PolarHBondContact O-N 2.94Å; D139-A143 WeakPolarHBondContact O-CB 3.14Å; D139-A143 PolarHBondContact O-N 3.4Å; D139-K434 WeakPolarHBondContact OD2-CD 3.32Å; D139-K434 WeakPolarHBondContact OD2-CE 3.47Å; D139-K434 IonicContact OD2-NZ 3.76Å; D139-K434 PolarHBondContact OD2-NZ 2.95Å; D139-N439 PolarHBondContact OD1-ND2 3.42Å
140	F	88.3	Confident	86.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55.7	-50.3	-168.2	-176.9	-87.4	0	0	0	113.4	L135 D136 A143 V144 V152 F154 V185 L193 K197 Y208	L135-F140 HydrophobicContact CB-CD2 4.25Å; L135-F140 HydrophobicContact CD1-CD2 3.98Å; L135-F140 HydrophobicContact CD1-CE2 4.37Å; D136-F140 VanDerWaalsContact O-CB 3.23Å; D136-F140 WeakPolarHBondContact O-CB 3.48Å; D136-F140 PolarHBondContact O-N 3.47Å; D136-F140 VanDerWaalsContact O-N 3.09Å; F140-A143 PolarHBondContact O-N 3.37Å; F140-V144 HydrophobicContact CD1-CG1 4.45Å; F140-V144 HydrophobicContact CD1-CG2 4.26Å; F140-V144 HydrophobicContact CE1-CG1 3.95Å; F140-V144 HydrophobicContact CE1-CG2 3.89Å; F140-V144 HydrophobicContact CE2-CG1 4.07Å; F140-V144 HydrophobicContact CZ-CG1 3.74Å; F140-V144 HydrophobicContact CZ-CG2 4.48Å; F140-V144 WeakPolarHBondContact O-CG2 3.48Å; F140-V144 PolarHBondContact O-N 3.23Å; F140-V152 HydrophobicContact CE2-CG1 4.25Å; F140-F154 AromaticContact CE2-CE1 3.91Å; F140-F154 HydrophobicContact CE2-CE1 3.91Å; F140-F154 AromaticContact CE2-CZ 3.52Å; F140-F154 HydrophobicContact CE2-CZ 3.52Å; F140-F154 HydrophobicContact CZ-CE1 4.29Å; F140-F154 AromaticContact CZ-CZ 3.61Å; F140-F154 HydrophobicContact CZ-CZ 3.61Å; F140-V185 HydrophobicContact CD2-CG2 3.85Å; F140-V185 HydrophobicContact CE2-CG2 3.96Å; F140-L193 HydrophobicContact CB-CD1 4.11Å; F140-L193 HydrophobicContact CB-CD2 3.9Å; F140-L193 HydrophobicContact CD1-CD1 3.94Å; F140-L193 HydrophobicContact CD2-CD2 3.99Å; F140-L193 HydrophobicContact CG-CD1 3.92Å; F140-L193 HydrophobicContact CG-CD2 3.96Å; F140-K197 HydrophobicContact CE1-CD 4.02Å; F140-K197 HydrophobicContact CE1-CG 4.35Å; F140-Y208 HydrophobicContact CE1-CE1 4.25Å; F140-Y208 AromaticContact CZ-CE1 3.99Å; F140-Y208 HydrophobicContact CZ-CE1 3.99Å; F140-Y208 HydrophobicContact CZ-CE2 4Å; F140-Y208 AromaticContact CZ-CZ 3.65Å
141	E	85.6	Confident	87	Confident	77 Å²	77	26.9 Å²	26.9	36%	0.36	17%	0.169	S	C	.	.	H	α-helix	trans	-67	-40.8	-176.5	-61	-61.8	166.5	0	0	112	D139 A143 N145 K197	D139-E141 PolarHBondContact O-N 3.35Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 3.17Å; E141-N145 VanDerWaalsContact O-CB 3.27Å; E141-N145 WeakPolarHBondContact O-CB 3.36Å; E141-N145 PolarHBondContact O-N 3.43Å; E141-N145 VanDerWaalsContact O-N 3.12Å; E141-N145 PolarHBondContact O-ND2 2.97Å; E141-K197 WeakPolarHBondContact OE1-CE 3.31Å; E141-K197 IonicContact OE1-NZ 3.14Å; E141-K197 PolarHBondContact OE1-NZ 2.62Å; E141-K197 IonicContact OE2-NZ 2.72Å; E141-K197 PolarHBondContact OE2-NZ 3.32Å
142	A	82.8	Confident	87.3	Confident	19 Å²	19	24.9 Å²	24.9	16%	0.157	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-40.7	177.5	0	0	0	0	0	111.1	D139 S146	D139-A142 PolarHBondContact O-N 2.94Å; A142-S146 PolarHBondContact O-N 3.48Å; A142-S146 VanDerWaalsContact O-N 3.14Å
143	A	87.9	Confident	87.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-60.5	175.9	0	0	0	0	0	111.3	L135 D139 F140 E141 N145 S146 W150 Y438	L135-A143 HydrophobicContact CD1-CB 4.05Å; L135-A143 HydrophobicContact CD2-CB 3.67Å; D139-A143 WeakPolarHBondContact O-CB 3.14Å; D139-A143 PolarHBondContact O-N 3.4Å; F140-A143 PolarHBondContact O-N 3.37Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 3.17Å; A143-N145 PolarHBondContact O-N 3.42Å; A143-S146 VanDerWaalsContact O-CB 3.31Å; A143-S146 WeakPolarHBondContact O-CB 3.41Å; A143-S146 PolarHBondContact O-N 3.03Å; A143-S146 VanDerWaalsContact O-N 3.16Å; A143-S146 PolarHBondContact O-OG 3.24Å; A143-W150 HydrophobicContact CB-CD2 4.36Å; A143-W150 HydrophobicContact CB-CH2 3.89Å; A143-W150 HydrophobicContact CB-CZ2 3.7Å; A143-W150 HydrophobicContact CB-CZ3 4.32Å; A143-W150 VanDerWaalsContact O-CD1 3.28Å; A143-W150 PolarHBondContact O-NE1 2.72Å; A143-Y438 HydrophobicContact CB-CD2 3.74Å; A143-Y438 HydrophobicContact CB-CE2 3.83Å; A143-Y438 HydrophobicContact CB-CG 4.48Å
144	V	90.8	Very high	87.9	Confident	2 Å²	2	23 Å²	23	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-16.9	-172.2	-57.3	0	0	0	0	114.3	F140 W150 V152 Y208	F140-V144 HydrophobicContact CD1-CG1 4.45Å; F140-V144 HydrophobicContact CD1-CG2 4.26Å; F140-V144 HydrophobicContact CE1-CG1 3.95Å; F140-V144 HydrophobicContact CE1-CG2 3.89Å; F140-V144 HydrophobicContact CE2-CG1 4.07Å; F140-V144 HydrophobicContact CZ-CG1 3.74Å; F140-V144 HydrophobicContact CZ-CG2 4.48Å; F140-V144 WeakPolarHBondContact O-CG2 3.48Å; F140-V144 PolarHBondContact O-N 3.23Å; V144-W150 HydrophobicContact CG1-CB 4.32Å; V144-W150 HydrophobicContact CG1-CG 4.48Å; V144-V152 HydrophobicContact CG1-CG2 4.37Å; V144-Y208 HydrophobicContact CB-CD1 3.89Å; V144-Y208 HydrophobicContact CB-CG 3.8Å; V144-Y208 HydrophobicContact CG1-CD1 4.07Å; V144-Y208 HydrophobicContact CG1-CD2 4Å; V144-Y208 HydrophobicContact CG1-CG 3.75Å; V144-Y208 HydrophobicContact CG2-CD1 4.04Å; V144-Y208 HydrophobicContact CG2-CG 4.47Å
145	N	84.8	Confident	88.1	Confident	75 Å²	75	21.7 Å²	21.7	40%	0.401	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	5.1	176.4	-62.4	-52.1	0	0	0	114	E141 A143 G147 R445	E141-N145 VanDerWaalsContact O-CB 3.27Å; E141-N145 WeakPolarHBondContact O-CB 3.36Å; E141-N145 PolarHBondContact O-N 3.43Å; E141-N145 VanDerWaalsContact O-N 3.12Å; E141-N145 PolarHBondContact O-ND2 2.97Å; A143-N145 PolarHBondContact O-N 3.42Å; N145-G147 PolarHBondContact O-N 2.77Å; N145-G147 VanDerWaalsContact O-N 3.11Å; N145-R445 PolarHBondContact O-NH1 3.33Å
146	S	81.9	Confident	88.4	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.007	16%	0.155	C	C	.	.	S	Bend	trans	-61	-19.1	178.6	57.4	0	0	0	0	114	A142 A143 E148 W150 V441 R445	A142-S146 PolarHBondContact O-N 3.48Å; A142-S146 VanDerWaalsContact O-N 3.14Å; A143-S146 VanDerWaalsContact O-CB 3.31Å; A143-S146 WeakPolarHBondContact O-CB 3.41Å; A143-S146 PolarHBondContact O-N 3.03Å; A143-S146 VanDerWaalsContact O-N 3.16Å; A143-S146 PolarHBondContact O-OG 3.24Å; S146-E148 VanDerWaalsContact C-N 3.35Å; S146-E148 PolarHBondContact OG-N 2.89Å; S146-W150 PolarHBondContact OG-NE1 2.88Å; S146-V441 WeakPolarHBondContact O-CG1 3.49Å; S146-R445 VanDerWaalsContact C-NH1 3.25Å; S146-R445 PolarHBondContact O-NH1 3.01Å
147	G	79.5	Confident	88.6	Confident	34 Å²	34	22.9 Å²	22.9	35%	0.351	15%	0.145	S	C	.	.	S	Bend	trans	98.1	-16.4	-173.4	0	0	0	0	0	112.5	N145	N145-G147 PolarHBondContact O-N 2.77Å; N145-G147 VanDerWaalsContact O-N 3.11Å
148	E	85.6	Confident	89	Confident	19 Å²	19	27.6 Å²	27.6	9%	0.089	15%	0.154	C	C	.	.	S	Bend	trans	-68.7	153.5	164.8	-62.9	-177.4	125.6	0	0	110.2	S146 R181 F387	S146-E148 VanDerWaalsContact C-N 3.35Å; S146-E148 PolarHBondContact OG-N 2.89Å; E148-R181 HydrophobicContact CB-CG 4.09Å; E148-R181 VanDerWaalsContact CD-NE 3.25Å; E148-R181 IonicContact OE1-CZ 3.3Å; E148-R181 VanDerWaalsContact OE1-CZ 3.25Å; E148-R181 IonicContact OE1-NE 2.69Å; E148-R181 PolarHBondContact OE1-NE 2.61Å; E148-R181 IonicContact OE1-NH2 3.92Å; E148-R181 PolarHBondContact OE1-NH2 3.33Å; E148-R181 VanDerWaalsContact OE2-CG 3.31Å; E148-R181 WeakPolarHBondContact OE2-CG 3.48Å; E148-R181 IonicContact OE2-CZ 2.75Å; E148-R181 IonicContact OE2-NE 2.67Å; E148-R181 PolarHBondContact OE2-NE 3.34Å; E148-R181 VanDerWaalsContact OE2-NE 3.09Å; E148-R181 IonicContact OE2-NH2 2.8Å; E148-F387 HydrophobicContact CG-CE1 4.17Å; E148-F387 HydrophobicContact CG-CE2 4.09Å; E148-F387 HydrophobicContact CG-CZ 3.61Å
149	I	91.3	Very high	89.8	Confident	34 Å²	34	25.5 Å²	25.5	17%	0.174	13%	0.13	C	C	.	.			trans	-82.6	125.2	171.7	-55.2	174.1	0	0	0	107.7	I180 R181 I207 R209 F233	I149-I180 HydrophobicContact CB-CB 4.28Å; I149-I180 HydrophobicContact CB-CG2 3.76Å; I149-I180 HydrophobicContact CD1-CG2 4.31Å; I149-I180 HydrophobicContact CG2-CB 4.4Å; I149-I180 HydrophobicContact CG2-CG2 3.87Å; I149-I180 WeakPolarHBondContact O-CB 3.49Å; I149-R181 PolarHBondContact O-N 2.97Å; I149-I207 HydrophobicContact CG2-CD1 3.5Å; I149-I207 VanDerWaalsContact CG2-CD1 3.5Å; I149-I207 HydrophobicContact CG2-CG1 3.72Å; I149-R209 HydrophobicContact CG1-CG 4.23Å; I149-R209 HydrophobicContact CG2-CG 4.2Å; I149-F233 HydrophobicContact CD1-CB 4.43Å; I149-F233 VanDerWaalsContact CD1-O 3.26Å; I149-F233 WeakPolarHBondContact CD1-O 3.24Å; I149-F233 HydrophobicContact CG2-CB 4.49Å
150	W	95.6	Very high	90.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.1	-179	-80.8	77.7	0	0	0	111	I133 L135 A143 V144 S146 V152 R181 I207 Y208 Y438	I133-W150 HydrophobicContact CB-CH2 4.12Å; I133-W150 HydrophobicContact CB-CZ3 4.02Å; I133-W150 HydrophobicContact CD1-CH2 3.51Å; I133-W150 HydrophobicContact CD1-CZ2 4.34Å; I133-W150 HydrophobicContact CD1-CZ3 4Å; I133-W150 HydrophobicContact CG1-CH2 4.41Å; I133-W150 HydrophobicContact CG2-CH2 4.01Å; I133-W150 HydrophobicContact CG2-CZ3 4.22Å; L135-W150 HydrophobicContact CD1-CE3 3.98Å; L135-W150 HydrophobicContact CD1-CZ3 3.79Å; L135-W150 HydrophobicContact CD2-CH2 4.17Å; L135-W150 HydrophobicContact CD2-CZ3 4.08Å; L135-W150 HydrophobicContact CG-CZ3 4.18Å; A143-W150 HydrophobicContact CB-CD2 4.36Å; A143-W150 HydrophobicContact CB-CH2 3.89Å; A143-W150 HydrophobicContact CB-CZ2 3.7Å; A143-W150 HydrophobicContact CB-CZ3 4.32Å; A143-W150 VanDerWaalsContact O-CD1 3.28Å; A143-W150 PolarHBondContact O-NE1 2.72Å; V144-W150 HydrophobicContact CG1-CB 4.32Å; V144-W150 HydrophobicContact CG1-CG 4.48Å; S146-W150 PolarHBondContact OG-NE1 2.88Å; W150-V152 HydrophobicContact CB-CG2 4.21Å; W150-V152 HydrophobicContact CE3-CG2 4.42Å; W150-R181 CarbonylContact C-O 3.52Å; W150-R181 WeakPolarHBondContact CA-O 3.39Å; W150-R181 HydrophobicContact CD2-CB 3.42Å; W150-R181 VanDerWaalsContact CD2-CB 3.42Å; W150-R181 HydrophobicContact CD2-CG 4.24Å; W150-R181 VanDerWaalsContact CE2-CB 3.41Å; W150-R181 HydrophobicContact CE3-CB 3.67Å; W150-R181 HydrophobicContact CG-CB 3.93Å; W150-R181 HydrophobicContact CH2-CB 3.98Å; W150-R181 HydrophobicContact CH2-CG 4.4Å; W150-R181 HydrophobicContact CZ2-CB 3.71Å; W150-R181 HydrophobicContact CZ2-CG 3.8Å; W150-R181 HydrophobicContact CZ3-CB 3.94Å; W150-I207 CarbonylContact O-C 3.53Å; W150-I207 VanDerWaalsContact O-CA 3.24Å; W150-I207 WeakPolarHBondContact O-CA 3.41Å; W150-I207 WeakPolarHBondContact O-CG1 3.01Å; W150-Y208 PolarHBondContact N-O 3.5Å; W150-Y208 PolarHBondContact O-N 3.41Å; W150-Y438 HydrophobicContact CH2-CD1 4.09Å; W150-Y438 HydrophobicContact CH2-CE1 4.03Å; W150-Y438 HydrophobicContact CH2-CG 4.46Å; W150-Y438 AromaticContact CZ2-CD1 3.69Å; W150-Y438 HydrophobicContact CZ2-CD1 3.69Å; W150-Y438 HydrophobicContact CZ2-CD2 4.28Å; W150-Y438 HydrophobicContact CZ2-CE1 4.11Å; W150-Y438 AromaticContact CZ2-CG 3.79Å; W150-Y438 HydrophobicContact CZ2-CG 3.79Å
151	F	97.9	Very high	90.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.6	168.1	-161.7	-178.9	0	0	0	109.4	W169 F172 I180 R181 I182 G183 L205 Y206 I207 F217 L226 F229 S230	F151-W169 HydrophobicContact CB-CH2 4.28Å; F151-W169 AromaticContact CD1-CH2 3.92Å; F151-W169 HydrophobicContact CD1-CH2 3.92Å; F151-W169 HydrophobicContact CD1-CZ3 4.23Å; F151-W169 AromaticContact CD2-CH2 3.9Å; F151-W169 HydrophobicContact CD2-CH2 3.9Å; F151-W169 HydrophobicContact CE1-CH2 4.26Å; F151-W169 HydrophobicContact CE1-CZ3 4.18Å; F151-W169 HydrophobicContact CE2-CH2 4.26Å; F151-W169 AromaticContact CG-CH2 3.74Å; F151-W169 HydrophobicContact CG-CH2 3.74Å; F151-W169 HydrophobicContact CG-CZ3 4.46Å; F151-W169 HydrophobicContact CZ-CH2 4.42Å; F151-W169 HydrophobicContact CZ-CZ3 4.38Å; F151-W169 WeakPolarHBondContact O-CZ2 3.33Å; F151-F172 AromaticContact CD1-CE1 3.56Å; F151-F172 HydrophobicContact CD1-CE1 3.56Å; F151-F172 AromaticContact CD1-CZ 3.53Å; F151-F172 HydrophobicContact CD1-CZ 3.53Å; F151-F172 HydrophobicContact CE1-CE1 4.12Å; F151-F172 HydrophobicContact CE1-CZ 4.02Å; F151-F172 HydrophobicContact CG-CE1 4.4Å; F151-I180 HydrophobicContact CB-CD1 3.94Å; F151-R181 PolarHBondContact N-O 2.81Å; F151-I182 HydrophobicContact CB-CD1 4.07Å; F151-G183 PolarHBondContact O-N 2.97Å; F151-L205 HydrophobicContact CE2-CB 3.68Å; F151-L205 HydrophobicContact CZ-CB 4.13Å; F151-Y206 WeakPolarHBondContact CD2-O 2.99Å; F151-I207 HydrophobicContact CB-CG1 4.3Å; F151-I207 HydrophobicContact CD2-CB 4.37Å; F151-F217 HydrophobicContact CE2-CB 4.1Å; F151-F217 HydrophobicContact CZ-CB 3.8Å; F151-F217 HydrophobicContact CZ-CG 4.14Å; F151-L226 HydrophobicContact CE1-CB 4.47Å; F151-L226 HydrophobicContact CE1-CD2 3.9Å; F151-L226 HydrophobicContact CZ-CD2 3.94Å; F151-F229 AromaticContact CE1-CD1 3.95Å; F151-F229 HydrophobicContact CE1-CD1 3.95Å; F151-F229 HydrophobicContact CE1-CE1 4.44Å; F151-F229 HydrophobicContact CE2-CD1 4.46Å; F151-F229 HydrophobicContact CE2-CE1 4.17Å; F151-F229 AromaticContact CZ-CD1 3.75Å; F151-F229 HydrophobicContact CZ-CD1 3.75Å; F151-F229 AromaticContact CZ-CE1 3.9Å; F151-F229 HydrophobicContact CZ-CE1 3.9Å; F151-S230 WeakPolarHBondContact CD1-OG 3.34Å; F151-S230 WeakPolarHBondContact CE1-OG 3.11Å
152	V	98.4	Very high	91.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.9	-169.4	-174	0	0	0	0	111.2	L135 F140 V144 W150 F154 G183 V185 L205 Y206 Y208	L135-V152 HydrophobicContact CD1-CG2 4.37Å; F140-V152 HydrophobicContact CE2-CG1 4.25Å; V144-V152 HydrophobicContact CG1-CG2 4.37Å; W150-V152 HydrophobicContact CB-CG2 4.21Å; W150-V152 HydrophobicContact CE3-CG2 4.42Å; V152-F154 HydrophobicContact CB-CE2 4.15Å; V152-F154 HydrophobicContact CG1-CD2 4.21Å; V152-F154 HydrophobicContact CG1-CE2 3.9Å; V152-F154 HydrophobicContact CG1-CZ 4.14Å; V152-G183 WeakPolarHBondContact CA-O 3.41Å; V152-V185 HydrophobicContact CG1-CG2 3.78Å; V152-L205 WeakPolarHBondContact O-CA 3.32Å; V152-Y206 PolarHBondContact N-O 3.47Å; V152-Y206 PolarHBondContact O-N 3.05Å; V152-Y208 HydrophobicContact CB-CD2 4.38Å; V152-Y208 HydrophobicContact CB-CE2 4.14Å; V152-Y208 HydrophobicContact CG2-CD2 3.91Å; V152-Y208 HydrophobicContact CG2-CE2 4.08Å
153	N	98.4	Very high	91.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.3	169.8	176	17.4	0	0	0	111.4	Y126 W169 G183 A184 V185 P203 L205	Y126-N153 PolarHBondContact OH-ND2 3.33Å; N153-W169 HydrophobicContact CB-CD2 4.1Å; N153-W169 HydrophobicContact CB-CH2 4.25Å; N153-W169 HydrophobicContact CB-CZ2 3.61Å; N153-G183 PolarHBondContact N-O 2.92Å; N153-A184 CarbonylContact O-C 3.54Å; N153-A184 WeakPolarHBondContact O-CA 3.24Å; N153-V185 PolarHBondContact O-N 2.77Å; N153-P203 WeakPolarHBondContact OD1-CB 3.47Å; N153-L205 HydrophobicContact CB-CD2 3.56Å; N153-L205 WeakPolarHBondContact OD1-CD2 3.4Å
154	F	98.4	Very high	92.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	108.7	168.7	-64.6	-91.4	0	0	0	109.6	F140 V152 V185 I199 P203 S204 Y206 Y208	F140-F154 AromaticContact CE2-CE1 3.91Å; F140-F154 HydrophobicContact CE2-CE1 3.91Å; F140-F154 AromaticContact CE2-CZ 3.52Å; F140-F154 HydrophobicContact CE2-CZ 3.52Å; F140-F154 HydrophobicContact CZ-CE1 4.29Å; F140-F154 AromaticContact CZ-CZ 3.61Å; F140-F154 HydrophobicContact CZ-CZ 3.61Å; V152-F154 HydrophobicContact CB-CE2 4.15Å; V152-F154 HydrophobicContact CG1-CD2 4.21Å; V152-F154 HydrophobicContact CG1-CE2 3.9Å; V152-F154 HydrophobicContact CG1-CZ 4.14Å; F154-V185 HydrophobicContact CD1-CB 3.63Å; F154-V185 HydrophobicContact CD1-CG1 3.82Å; F154-V185 HydrophobicContact CD1-CG2 4.07Å; F154-V185 HydrophobicContact CE1-CB 3.92Å; F154-V185 HydrophobicContact CE1-CG1 4.05Å; F154-V185 HydrophobicContact CE1-CG2 3.85Å; F154-V185 HydrophobicContact CG-CB 4.39Å; F154-V185 HydrophobicContact CZ-CG2 4.49Å; F154-I199 HydrophobicContact CB-CD1 4.39Å; F154-I199 HydrophobicContact CB-CG1 4.24Å; F154-I199 HydrophobicContact CB-CG2 3.9Å; F154-I199 HydrophobicContact CD1-CD1 4.35Å; F154-I199 HydrophobicContact CD1-CG1 3.84Å; F154-I199 HydrophobicContact CD2-CD1 3.81Å; F154-I199 HydrophobicContact CD2-CG1 4.22Å; F154-I199 HydrophobicContact CE1-CG1 4.19Å; F154-I199 HydrophobicContact CE2-CD1 4.1Å; F154-I199 HydrophobicContact CG-CD1 3.93Å; F154-I199 HydrophobicContact CG-CG1 3.84Å; F154-I199 HydrophobicContact CG-CG2 4.43Å; F154-I199 HydrophobicContact CZ-CD1 4.47Å; F154-P203 CarbonylContact O-C 3.54Å; F154-P203 VanDerWaalsContact O-CA 3.28Å; F154-P203 WeakPolarHBondContact O-CA 3.4Å; F154-S204 PolarHBondContact N-O 3.45Å; F154-S204 PolarHBondContact O-N 2.8Å; F154-Y206 HydrophobicContact CD2-CD2 4.15Å; F154-Y206 HydrophobicContact CE2-CD2 4.21Å; F154-Y208 HydrophobicContact CE2-CE2 4.04Å; F154-Y208 WeakPolarHBondContact CE2-OH 3.5Å; F154-Y208 HydrophobicContact CZ-CE2 4.35Å; F154-Y208 WeakPolarHBondContact CZ-OH 3.28Å
155	Y	97.4	Very high	92.4	Very high	8 Å²	8	37.7 Å²	37.7	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	170.3	-174.6	78.9	-81.4	0	0	0	111.8	I125 Y126 A184 V185 N186 C187	I125-Y155 HydrophobicContact CB-CE2 4.28Å; I125-Y155 HydrophobicContact CD1-CD2 3.9Å; I125-Y155 HydrophobicContact CD1-CE2 3.69Å; I125-Y155 HydrophobicContact CG1-CE2 4.09Å; Y126-Y155 HydrophobicContact CD2-CD1 4.32Å; Y126-Y155 AromaticContact CD2-CE1 3.84Å; Y126-Y155 HydrophobicContact CD2-CE1 3.84Å; Y126-Y155 AromaticContact CE2-CD1 3.89Å; Y126-Y155 HydrophobicContact CE2-CD1 3.89Å; Y126-Y155 AromaticContact CE2-CE1 3.88Å; Y126-Y155 HydrophobicContact CE2-CE1 3.88Å; Y126-Y155 HydrophobicContact CE2-CG 4.28Å; Y155-A184 HydrophobicContact CD1-CB 4.31Å; Y155-A184 HydrophobicContact CE1-CB 4.02Å; Y155-V185 WeakPolarHBondContact CD1-O 3.38Å; Y155-V185 PolarHBondContact N-O 3.19Å; Y155-N186 HydrophobicContact CE1-CB 3.97Å; Y155-N186 HydrophobicContact CE2-CB 4.35Å; Y155-C187 WeakPolarHBondContact O-CB 3.46Å; Y155-C187 PolarHBondContact O-N 3.47Å
156	F	94.6	Very high	93	Very high	72 Å²	72	34.2 Å²	34.2	32%	0.316	17%	0.173	S	C	.	.			trans	-130	142.1	172.6	-164	-88.7	0	0	0	108.7	R158 C159 C187 G188 Y202	F156-R158 HydrophobicContact CD1-CB 4.35Å; F156-R158 HydrophobicContact CE1-CB 4.29Å; F156-R158 PolarHBondContact O-N 2.83Å; F156-C159 HydrophobicContact CB-CB 4.12Å; F156-C159 VanDerWaalsContact O-CB 3.23Å; F156-C159 WeakPolarHBondContact O-CB 3.45Å; F156-C159 PolarHBondContact O-N 2.97Å; F156-C187 HydrophobicContact CD2-CB 4.43Å; F156-G188 VanDerWaalsContact CE2-CA 3.48Å; F156-Y202 HydrophobicContact CB-CD1 4.42Å; F156-Y202 HydrophobicContact CB-CD2 3.59Å; F156-Y202 HydrophobicContact CB-CE2 4Å; F156-Y202 HydrophobicContact CB-CG 3.82Å; F156-Y202 HydrophobicContact CD2-CD2 4.37Å; F156-Y202 AromaticContact CD2-CE2 3.92Å; F156-Y202 HydrophobicContact CD2-CE2 3.92Å; F156-Y202 HydrophobicContact CG-CD2 4.19Å; F156-Y202 HydrophobicContact CG-CE2 4.2Å
157	P	88.3	Confident	93.7	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.052	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-47.7	-173.2	-28.7	38.6	0	0	0	113	F118 D122 C159 H163 N186	F118-P157 HydrophobicContact CE2-CB 3.89Å; F118-P157 HydrophobicContact CZ-CB 4.37Å; D122-P157 HydrophobicContact CB-CB 3.91Å; P157-C159 PolarHBondContact O-N 3.28Å; P157-H163 PolarHBondContact O-NE2 3.11Å; P157-N186 WeakPolarHBondContact CD-OD1 3.47Å; P157-N186 WeakPolarHBondContact CG-OD1 3.35Å
158	R	88	Confident	94.6	Very high	151 Å²	151	37.1 Å²	37.1	57%	0.57	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	42.5	-178.9	-58.9	-174.9	-174.1	155.7	0.6	113.7	E114 F118 F156	E114-R158 IonicContact OE1-CZ 2.98Å; E114-R158 IonicContact OE1-NH2 3.01Å; E114-R158 PolarHBondContact OE1-NH2 3.49Å; E114-R158 IonicContact OE2-CZ 3.81Å; E114-R158 IonicContact OE2-NH2 3.76Å; E114-R158 PolarHBondContact OE2-NH2 3.34Å; F118-R158 HydrophobicContact CD2-CG 4.21Å; F118-R158 HydrophobicContact CE2-CG 4.31Å; F156-R158 HydrophobicContact CD1-CB 4.35Å; F156-R158 HydrophobicContact CE1-CB 4.29Å; F156-R158 PolarHBondContact O-N 2.83Å
159	C	92	Very high	95.1	Very high	16 Å²	16	36.2 Å²	36.2	11%	0.108	18%	0.181	C	C	.	.			trans	-119.2	112.3	-175.5	158	0	0	0	0	110.1	F156 P157 H161 C162 H163	F156-C159 HydrophobicContact CB-CB 4.12Å; F156-C159 VanDerWaalsContact O-CB 3.23Å; F156-C159 WeakPolarHBondContact O-CB 3.45Å; F156-C159 PolarHBondContact O-N 2.97Å; P157-C159 PolarHBondContact O-N 3.28Å; C159-H161 VanDerWaalsContact C-N 3.33Å; C159-H161 PolarHBondContact O-N 3.42Å; C159-C162 HydrophobicContact CB-CB 3.62Å; C159-C162 WeakPolarHBondContact CB-SG 3.21Å; C159-C162 WeakPolarHBondContact O-CA 3.36Å; C159-C162 VanDerWaalsContact O-CB 3.29Å; C159-C162 WeakPolarHBondContact O-CB 3.37Å; C159-C162 PolarHBondContact O-N 3Å; C159-C162 WeakPolarHBondContact SG-CB 3.45Å; C159-C162 PolarHBondContact SG-N 3.11Å; C159-C162 CovalentContact SG-SG 2.06Å; C159-C162 PolarHBondContact SG-SG 3.02Å; C159-H163 PolarHBondContact O-CD2 3.1Å; C159-H163 VanDerWaalsContact O-CD2 3.26Å; C159-H163 PolarHBondContact O-N 3Å; C159-H163 VanDerWaalsContact O-N 3.12Å
160	S	93.5	Very high	95.4	Very high	80 Å²	80	38 Å²	38	56%	0.559	19%	0.186	S	C	*	.	H	α-helix	trans	-58	-42.8	-178.7	-177.9	0	0	0	0	112.5	C162 H163 Q164	S160-C162 PolarHBondContact O-N 3.22Å; S160-H163 PolarHBondContact O-N 3.44Å; S160-Q164 WeakPolarHBondContact O-CG 3.47Å; S160-Q164 PolarHBondContact O-N 2.94Å
161	H	94.5	Very high	95.5	Very high	107 Å²	107	43.2 Å²	43.2	50%	0.495	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-26.4	176.6	-63.1	-55.6	0	0	0	113.6	C159 Q164 L165	C159-H161 VanDerWaalsContact C-N 3.33Å; C159-H161 PolarHBondContact O-N 3.42Å; H161-Q164 PolarHBondContact ND1-OE1 2.85Å; H161-L165 WeakPolarHBondContact O-CB 3.42Å; H161-L165 PolarHBondContact O-N 3.01Å; H161-L165 VanDerWaalsContact O-N 3.12Å
162	C	95.3	Very high	95.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-74.1	-40.2	177.5	-55	0	0	0	0	110	C159 S160 L165 A166	C159-C162 HydrophobicContact CB-CB 3.62Å; C159-C162 WeakPolarHBondContact CB-SG 3.21Å; C159-C162 WeakPolarHBondContact O-CA 3.36Å; C159-C162 VanDerWaalsContact O-CB 3.29Å; C159-C162 WeakPolarHBondContact O-CB 3.37Å; C159-C162 PolarHBondContact O-N 3Å; C159-C162 WeakPolarHBondContact SG-CB 3.45Å; C159-C162 PolarHBondContact SG-N 3.11Å; C159-C162 CovalentContact SG-SG 2.06Å; C159-C162 PolarHBondContact SG-SG 3.02Å; S160-C162 PolarHBondContact O-N 3.22Å; C162-L165 PolarHBondContact O-N 2.97Å; C162-A166 PolarHBondContact O-N 3.14Å
163	H	93.5	Very high	95.3	Very high	57 Å²	57	43.3 Å²	43.3	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-64.3	-41.7	171.3	-74	-61.5	0	0	0	113.3	Y121 D122 I125 P157 C159 S160 L165 A166 P167	Y121-H163 PolarHBondContact O-CE1 3.36Å; D122-H163 IonicContact OD1-CD2 3.69Å; D122-H163 IonicContact OD1-CE1 2.66Å; D122-H163 PolarHBondContact OD1-CE1 2.72Å; D122-H163 IonicContact OD1-NE2 3.76Å; D122-H163 PolarHBondContact OD1-NE2 3.34Å; I125-H163 VanDerWaalsContact CD1-CE1 3.49Å; I125-H163 WeakPolarHBondContact CD1-CE1 3.48Å; P157-H163 PolarHBondContact O-NE2 3.11Å; C159-H163 PolarHBondContact O-CD2 3.1Å; C159-H163 VanDerWaalsContact O-CD2 3.26Å; C159-H163 PolarHBondContact O-N 3Å; C159-H163 VanDerWaalsContact O-N 3.12Å; S160-H163 PolarHBondContact O-N 3.44Å; H163-L165 PolarHBondContact O-N 3.09Å; H163-A166 PolarHBondContact O-N 3.16Å; H163-P167 WeakPolarHBondContact O-CD 3.42Å
164	Q	95	Very high	95	Very high	124 Å²	124	49.3 Å²	49.3	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-61.2	-35.8	174.8	-71.6	170.8	-0.5	0	0	111.9	S160 H161	S160-Q164 WeakPolarHBondContact O-CG 3.47Å; S160-Q164 PolarHBondContact O-N 2.94Å; H161-Q164 PolarHBondContact ND1-OE1 2.85Å
165	L	97.3	Very high	94.6	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-76.4	-30.8	177.8	-179.9	61	0	0	0	113.1	H161 C162 H163 T168 W169 P203 L205 R221	H161-L165 WeakPolarHBondContact O-CB 3.42Å; H161-L165 PolarHBondContact O-N 3.01Å; H161-L165 VanDerWaalsContact O-N 3.12Å; C162-L165 PolarHBondContact O-N 2.97Å; H163-L165 PolarHBondContact O-N 3.09Å; L165-T168 PolarHBondContact O-N 3.37Å; L165-T168 VanDerWaalsContact O-N 3.09Å; L165-W169 HydrophobicContact CG-CB 4.34Å; L165-W169 PolarHBondContact O-N 3.24Å; L165-P203 HydrophobicContact CB-CG 4.35Å; L165-P203 HydrophobicContact CD2-CB 3.84Å; L165-P203 HydrophobicContact CD2-CG 3.67Å; L165-L205 HydrophobicContact CD2-CD1 4.07Å; L165-L205 HydrophobicContact CD2-CD2 3.82Å; L165-L205 HydrophobicContact CD2-CG 4.36Å; L165-R221 HydrophobicContact CD1-CB 3.7Å; L165-R221 HydrophobicContact CD1-CG 4.48Å
166	A	96.2	Very high	94.3	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-54.5	-45.6	-168.4	0	0	0	0	0	114.6	I125 Y126 C162 H163 W169 R170	I125-A166 HydrophobicContact CG2-CB 3.69Å; Y126-A166 HydrophobicContact CE1-CB 3.95Å; C162-A166 PolarHBondContact O-N 3.14Å; H163-A166 PolarHBondContact O-N 3.16Å; A166-W169 PolarHBondContact O-N 3.09Å; A166-R170 WeakPolarHBondContact O-CG 3.49Å; A166-R170 PolarHBondContact O-N 2.91Å; A166-R170 VanDerWaalsContact O-N 3.14Å
167	P	96.6	Very high	93.9	Very high	64 Å²	64	50.6 Å²	50.6	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-48.6	174.6	-22.9	33.8	0	0	0	112.6	H163 W169 R170 E171	H163-P167 WeakPolarHBondContact O-CD 3.42Å; P167-W169 VanDerWaalsContact C-N 3.3Å; P167-W169 PolarHBondContact O-N 2.8Å; P167-R170 WeakPolarHBondContact O-CB 3.4Å; P167-R170 PolarHBondContact O-N 3.08Å; P167-R170 VanDerWaalsContact O-N 3.17Å; P167-E171 PolarHBondContact O-N 3.02Å; P167-E171 VanDerWaalsContact O-N 3.11Å
168	T	98	Very high	93.4	Very high	32 Å²	32	51 Å²	51	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-38.4	178.7	-49.2	0	0	0	0	112.1	L165 R170 E171 F172 R221 R223 L226	L165-T168 PolarHBondContact O-N 3.37Å; L165-T168 VanDerWaalsContact O-N 3.09Å; T168-R170 VanDerWaalsContact C-N 3.32Å; T168-R170 PolarHBondContact O-N 3.3Å; T168-E171 PolarHBondContact O-N 3.19Å; T168-F172 WeakPolarHBondContact O-CB 3.49Å; T168-F172 PolarHBondContact O-N 3.3Å; T168-R221 WeakPolarHBondContact CG2-O 3.11Å; T168-R223 HydrophobicContact CG2-CB 4.13Å; T168-L226 HydrophobicContact CG2-CD1 4.19Å
169	W	98	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-35.9	178	-163.3	-114.1	0	0	0	112.1	Y126 F151 N153 L165 A166 P167 F172 A173 I182 L205 L226	Y126-W169 HydrophobicContact CE1-CB 4.31Å; Y126-W169 AromaticContact CE1-CD1 3.84Å; Y126-W169 HydrophobicContact CE1-CG 4.46Å; Y126-W169 AromaticContact CZ-CD1 3.82Å; F151-W169 HydrophobicContact CB-CH2 4.28Å; F151-W169 AromaticContact CD1-CH2 3.92Å; F151-W169 HydrophobicContact CD1-CH2 3.92Å; F151-W169 HydrophobicContact CD1-CZ3 4.23Å; F151-W169 AromaticContact CD2-CH2 3.9Å; F151-W169 HydrophobicContact CD2-CH2 3.9Å; F151-W169 HydrophobicContact CE1-CH2 4.26Å; F151-W169 HydrophobicContact CE1-CZ3 4.18Å; F151-W169 HydrophobicContact CE2-CH2 4.26Å; F151-W169 AromaticContact CG-CH2 3.74Å; F151-W169 HydrophobicContact CG-CH2 3.74Å; F151-W169 HydrophobicContact CG-CZ3 4.46Å; F151-W169 HydrophobicContact CZ-CH2 4.42Å; F151-W169 HydrophobicContact CZ-CZ3 4.38Å; F151-W169 WeakPolarHBondContact O-CZ2 3.33Å; N153-W169 HydrophobicContact CB-CD2 4.1Å; N153-W169 HydrophobicContact CB-CH2 4.25Å; N153-W169 HydrophobicContact CB-CZ2 3.61Å; L165-W169 HydrophobicContact CG-CB 4.34Å; L165-W169 PolarHBondContact O-N 3.24Å; A166-W169 PolarHBondContact O-N 3.09Å; P167-W169 VanDerWaalsContact C-N 3.3Å; P167-W169 PolarHBondContact O-N 2.8Å; W169-F172 HydrophobicContact CD2-CD1 4.35Å; W169-F172 AromaticContact CE3-CD1 3.83Å; W169-F172 HydrophobicContact CE3-CD1 3.83Å; W169-F172 HydrophobicContact CE3-CE1 4.38Å; W169-F172 HydrophobicContact CH2-CD1 4.26Å; W169-F172 HydrophobicContact CH2-CE1 4.02Å; W169-F172 AromaticContact CZ3-CD1 3.77Å; W169-F172 HydrophobicContact CZ3-CD1 3.77Å; W169-F172 AromaticContact CZ3-CE1 3.86Å; W169-F172 HydrophobicContact CZ3-CE1 3.86Å; W169-A173 VanDerWaalsContact O-CB 3.32Å; W169-A173 WeakPolarHBondContact O-CB 3.47Å; W169-A173 PolarHBondContact O-N 3.02Å; W169-I182 HydrophobicContact CD2-CG2 4.37Å; W169-I182 VanDerWaalsContact CE2-CG2 3.46Å; W169-I182 HydrophobicContact CH2-CG2 4.37Å; W169-I182 HydrophobicContact CZ2-CG2 3.48Å; W169-I182 VanDerWaalsContact CZ2-CG2 3.48Å; W169-L205 HydrophobicContact CH2-CD2 4.3Å; W169-L205 HydrophobicContact CZ3-CD1 4.12Å; W169-L205 HydrophobicContact CZ3-CD2 4.15Å; W169-L226 HydrophobicContact CE3-CD1 4.05Å; W169-L226 HydrophobicContact CZ3-CD1 4.23Å; W169-L226 HydrophobicContact CZ3-CD2 4.32Å
170	R	97.4	Very high	93.2	Very high	73 Å²	73	44 Å²	44	28%	0.275	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-47.3	174.3	-66.8	175.3	-173.1	111.6	0.8	112.4	I125 D129 I132 A166 P167 T168 F172 A173 K174	I125-R170 PolarHBondContact O-NH2 3.32Å; D129-R170 WeakPolarHBondContact OD1-CD 3.25Å; D129-R170 WeakPolarHBondContact OD1-CG 3.36Å; D129-R170 IonicContact OD1-NE 3.37Å; D129-R170 PolarHBondContact OD1-NE 3.39Å; D129-R170 WeakPolarHBondContact OD2-CD 3.44Å; D129-R170 WeakPolarHBondContact OD2-CG 3.4Å; D129-R170 IonicContact OD2-CZ 2.89Å; D129-R170 IonicContact OD2-NE 3.08Å; D129-R170 PolarHBondContact OD2-NE 3.4Å; D129-R170 IonicContact OD2-NH2 3.95Å; I132-R170 HydrophobicContact CD1-CG 3.9Å; A166-R170 WeakPolarHBondContact O-CG 3.49Å; A166-R170 PolarHBondContact O-N 2.91Å; A166-R170 VanDerWaalsContact O-N 3.14Å; P167-R170 WeakPolarHBondContact O-CB 3.4Å; P167-R170 PolarHBondContact O-N 3.08Å; P167-R170 VanDerWaalsContact O-N 3.17Å; T168-R170 VanDerWaalsContact C-N 3.32Å; T168-R170 PolarHBondContact O-N 3.3Å; R170-F172 VanDerWaalsContact C-N 3.3Å; R170-F172 PolarHBondContact O-N 3.33Å; R170-A173 PolarHBondContact O-N 2.9Å; R170-K174 WeakPolarHBondContact O-CG 3.16Å; R170-K174 PolarHBondContact O-N 3.43Å
171	E	96.4	Very high	93.1	Very high	109 Å²	109	42 Å²	42	51%	0.509	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-42.4	177.1	-70.3	178.3	-167.7	0	0	111.3	P167 T168 K174 E175	P167-E171 PolarHBondContact O-N 3.02Å; P167-E171 VanDerWaalsContact O-N 3.11Å; T168-E171 PolarHBondContact O-N 3.19Å; E171-K174 PolarHBondContact O-N 3.28Å; E171-E175 WeakPolarHBondContact O-CB 3.42Å; E171-E175 PolarHBondContact O-N 2.82Å
172	F	96.7	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-43.7	173.6	171.3	-109.9	0	0	0	112.1	F151 T168 W169 R170 K174 E175 M176 I180 I182 L226 V227 S230	F151-F172 AromaticContact CD1-CE1 3.56Å; F151-F172 HydrophobicContact CD1-CE1 3.56Å; F151-F172 AromaticContact CD1-CZ 3.53Å; F151-F172 HydrophobicContact CD1-CZ 3.53Å; F151-F172 HydrophobicContact CE1-CE1 4.12Å; F151-F172 HydrophobicContact CE1-CZ 4.02Å; F151-F172 HydrophobicContact CG-CE1 4.4Å; T168-F172 WeakPolarHBondContact O-CB 3.49Å; T168-F172 PolarHBondContact O-N 3.3Å; W169-F172 HydrophobicContact CD2-CD1 4.35Å; W169-F172 AromaticContact CE3-CD1 3.83Å; W169-F172 HydrophobicContact CE3-CD1 3.83Å; W169-F172 HydrophobicContact CE3-CE1 4.38Å; W169-F172 HydrophobicContact CH2-CD1 4.26Å; W169-F172 HydrophobicContact CH2-CE1 4.02Å; W169-F172 AromaticContact CZ3-CD1 3.77Å; W169-F172 HydrophobicContact CZ3-CD1 3.77Å; W169-F172 AromaticContact CZ3-CE1 3.86Å; W169-F172 HydrophobicContact CZ3-CE1 3.86Å; R170-F172 VanDerWaalsContact C-N 3.3Å; R170-F172 PolarHBondContact O-N 3.33Å; F172-K174 PolarHBondContact O-N 2.61Å; F172-E175 PolarHBondContact O-N 2.96Å; F172-M176 HydrophobicContact CD2-CG 3.88Å; F172-M176 HydrophobicContact CE2-CB 4.28Å; F172-M176 HydrophobicContact CE2-CG 3.31Å; F172-M176 HydrophobicContact CZ-CB 4.33Å; F172-M176 HydrophobicContact CZ-CG 3.76Å; F172-M176 PolarHBondContact O-N 3.38Å; F172-I180 HydrophobicContact CZ-CD1 4.12Å; F172-I182 HydrophobicContact CD1-CD1 4.27Å; F172-I182 HydrophobicContact CE1-CD1 3.45Å; F172-I182 VanDerWaalsContact CE1-CD1 3.45Å; F172-I182 HydrophobicContact CE1-CG1 4.21Å; F172-I182 HydrophobicContact CZ-CD1 3.96Å; F172-L226 HydrophobicContact CB-CD1 4.16Å; F172-L226 HydrophobicContact CD1-CD1 4.36Å; F172-L226 HydrophobicContact CD2-CB 3.58Å; F172-L226 HydrophobicContact CD2-CD1 4.45Å; F172-L226 HydrophobicContact CE2-CB 3.74Å; F172-L226 HydrophobicContact CG-CB 4.01Å; F172-L226 HydrophobicContact CG-CD1 4.06Å; F172-L226 HydrophobicContact CZ-CB 4.29Å; F172-V227 HydrophobicContact CD2-CG2 3.73Å; F172-V227 HydrophobicContact CE2-CB 4.49Å; F172-V227 HydrophobicContact CE2-CG2 3.89Å; F172-S230 WeakPolarHBondContact CZ-OG 3.36Å
173	A	96.2	Very high	93.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-41.6	178	0	0	0	0	0	112.8	E131 I132 W169 R170 M176 D177 I182	E131-A173 HydrophobicContact CB-CB 3.85Å; I132-A173 HydrophobicContact CD1-CB 4.28Å; I132-A173 HydrophobicContact CG1-CB 3.65Å; W169-A173 VanDerWaalsContact O-CB 3.32Å; W169-A173 WeakPolarHBondContact O-CB 3.47Å; W169-A173 PolarHBondContact O-N 3.02Å; R170-A173 PolarHBondContact O-N 2.9Å; A173-M176 PolarHBondContact O-N 3.47Å; A173-D177 PolarHBondContact O-N 3.01Å; A173-I182 HydrophobicContact CB-CB 4.07Å; A173-I182 HydrophobicContact CB-CG1 4.05Å; A173-I182 HydrophobicContact CB-CG2 3.95Å
174	K	92.4	Very high	93.5	Very high	127 Å²	127	34.4 Å²	34.4	55%	0.552	17%	0.17	S	C	*	.	H	α-helix	trans	-63.9	-40.7	174.7	-70	176.2	-179.7	-177.7	0	112.5	E131 R170 E171 F172	E131-K174 HydrophobicContact CG-CG 4.33Å; R170-K174 WeakPolarHBondContact O-CG 3.16Å; R170-K174 PolarHBondContact O-N 3.43Å; E171-K174 PolarHBondContact O-N 3.28Å; F172-K174 PolarHBondContact O-N 2.61Å
175	E	90.1	Very high	93.5	Very high	61 Å²	61	28.5 Å²	28.5	29%	0.285	14%	0.142	S	C	.	.	H	α-helix	trans	-69.5	-30.8	-179	171.7	61	-164.7	0	0	113.5	E171 F172 V227 R275 K279	E171-E175 WeakPolarHBondContact O-CB 3.42Å; E171-E175 PolarHBondContact O-N 2.82Å; F172-E175 PolarHBondContact O-N 2.96Å; E175-V227 HydrophobicContact CG-CG2 3.75Å; E175-R275 IonicContact OE1-CZ 2.82Å; E175-R275 IonicContact OE1-NH2 2.65Å; E175-R275 PolarHBondContact OE1-NH2 3.39Å; E175-K279 PolarHBondContact O-NZ 3.05Å; E175-K279 IonicContact OE1-NZ 3.84Å; E175-K279 PolarHBondContact OE1-NZ 2.98Å; E175-K279 IonicContact OE2-NZ 2.64Å
176	M	90.6	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-105.4	5.8	-177.6	-66.2	-56.3	-64.9	0	0	113.9	F172 A173 G178 V179 I180 I182 V227 M231 I234	F172-M176 HydrophobicContact CD2-CG 3.88Å; F172-M176 HydrophobicContact CE2-CB 4.28Å; F172-M176 HydrophobicContact CE2-CG 3.31Å; F172-M176 HydrophobicContact CZ-CB 4.33Å; F172-M176 HydrophobicContact CZ-CG 3.76Å; F172-M176 PolarHBondContact O-N 3.38Å; A173-M176 PolarHBondContact O-N 3.47Å; M176-G178 PolarHBondContact O-N 2.95Å; M176-V179 HydrophobicContact CE-CB 4.05Å; M176-V179 HydrophobicContact CE-CG1 3.86Å; M176-V179 WeakPolarHBondContact O-CB 3.43Å; M176-V179 PolarHBondContact O-N 2.65Å; M176-V179 VanDerWaalsContact O-N 3.07Å; M176-I180 HydrophobicContact CB-CG1 3.97Å; M176-I180 HydrophobicContact CE-CD1 4.29Å; M176-I180 HydrophobicContact CE-CG1 4Å; M176-I180 PolarHBondContact O-N 3.34Å; M176-I182 HydrophobicContact CB-CD1 4.49Å; M176-V227 HydrophobicContact CG-CG2 4.2Å; M176-V227 HydrophobicContact SD-CB 4.37Å; M176-V227 HydrophobicContact SD-CG1 3.7Å; M176-V227 HydrophobicContact SD-CG2 4.11Å; M176-M231 HydrophobicContact CE-SD 3.98Å; M176-M231 HydrophobicContact SD-SD 4.46Å; M176-I234 HydrophobicContact CE-CD1 4.37Å
177	D	85.4	Confident	93.3	Very high	46 Å²	46	29 Å²	29	25%	0.246	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	138.7	-178.9	-178.7	58.8	0	0	0	111.7	E131 A173 V179 R336	E131-D177 HydrophobicContact CG-CB 4.18Å; A173-D177 PolarHBondContact O-N 3.01Å; D177-V179 PolarHBondContact O-N 2.04Å; D177-R336 IonicContact OD2-CZ 3.34Å; D177-R336 VanDerWaalsContact OD2-CZ 3.23Å; D177-R336 IonicContact OD2-NE 3.72Å; D177-R336 PolarHBondContact OD2-NE 3.21Å; D177-R336 VanDerWaalsContact OD2-NE 3.11Å; D177-R336 IonicContact OD2-NH2 3.76Å; D177-R336 PolarHBondContact OD2-NH2 2.91Å
178	G	77.9	Confident	93	Very high	16 Å²	16	27.6 Å²	27.6	17%	0.165	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-19.2	-175.8	0	0	0	0	0	115.4	M176 M283	M176-G178 PolarHBondContact O-N 2.95Å; G178-M283 WeakPolarHBondContact O-CG 3.26Å
179	V	84.6	Confident	92.4	Very high	15 Å²	15	31 Å²	31	9%	0.091	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-48.8	179	-173	0	0	0	0	110.8	M176 D177 I234 K279 M283	M176-V179 HydrophobicContact CE-CB 4.05Å; M176-V179 HydrophobicContact CE-CG1 3.86Å; M176-V179 WeakPolarHBondContact O-CB 3.43Å; M176-V179 PolarHBondContact O-N 2.65Å; M176-V179 VanDerWaalsContact O-N 3.07Å; D177-V179 PolarHBondContact O-N 2.04Å; V179-I234 HydrophobicContact CG1-CD1 3.32Å; V179-I234 HydrophobicContact CG1-CG1 4.28Å; V179-K279 HydrophobicContact CG2-CB 3.8Å; V179-K279 HydrophobicContact CG2-CD 4.11Å; V179-K279 HydrophobicContact CG2-CG 3.89Å; V179-M283 HydrophobicContact CB-CG 4.21Å; V179-M283 HydrophobicContact CG2-CG 3.7Å; V179-M283 HydrophobicContact CG2-SD 3.97Å
180	I	90.9	Very high	91.8	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.031	16%	0.164	C	C	.	.	S	Bend	trans	-137.9	158.7	174.1	60.7	160.8	0	0	0	109	I149 F151 F172 M176 I182	I149-I180 HydrophobicContact CB-CB 4.28Å; I149-I180 HydrophobicContact CB-CG2 3.76Å; I149-I180 HydrophobicContact CD1-CG2 4.31Å; I149-I180 HydrophobicContact CG2-CB 4.4Å; I149-I180 HydrophobicContact CG2-CG2 3.87Å; I149-I180 WeakPolarHBondContact O-CB 3.49Å; F151-I180 HydrophobicContact CB-CD1 3.94Å; F172-I180 HydrophobicContact CZ-CD1 4.12Å; M176-I180 HydrophobicContact CB-CG1 3.97Å; M176-I180 HydrophobicContact CE-CD1 4.29Å; M176-I180 HydrophobicContact CE-CG1 4Å; M176-I180 PolarHBondContact O-N 3.34Å; I180-I182 HydrophobicContact CD1-CD1 3.57Å; I180-I182 HydrophobicContact CG1-CD1 3.71Å
181	R	91.9	Very high	91.3	Very high	37 Å²	37	32.1 Å²	32.1	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.3	176.5	-63.3	-59.3	-176.2	-178.4	-1.8	110.6	E148 I149 W150 F151 E380	E148-R181 HydrophobicContact CB-CG 4.09Å; E148-R181 VanDerWaalsContact CD-NE 3.25Å; E148-R181 IonicContact OE1-CZ 3.3Å; E148-R181 VanDerWaalsContact OE1-CZ 3.25Å; E148-R181 IonicContact OE1-NE 2.69Å; E148-R181 PolarHBondContact OE1-NE 2.61Å; E148-R181 IonicContact OE1-NH2 3.92Å; E148-R181 PolarHBondContact OE1-NH2 3.33Å; E148-R181 VanDerWaalsContact OE2-CG 3.31Å; E148-R181 WeakPolarHBondContact OE2-CG 3.48Å; E148-R181 IonicContact OE2-CZ 2.75Å; E148-R181 IonicContact OE2-NE 2.67Å; E148-R181 PolarHBondContact OE2-NE 3.34Å; E148-R181 VanDerWaalsContact OE2-NE 3.09Å; E148-R181 IonicContact OE2-NH2 2.8Å; I149-R181 PolarHBondContact O-N 2.97Å; W150-R181 CarbonylContact C-O 3.52Å; W150-R181 WeakPolarHBondContact CA-O 3.39Å; W150-R181 HydrophobicContact CD2-CB 3.42Å; W150-R181 VanDerWaalsContact CD2-CB 3.42Å; W150-R181 HydrophobicContact CD2-CG 4.24Å; W150-R181 VanDerWaalsContact CE2-CB 3.41Å; W150-R181 HydrophobicContact CE3-CB 3.67Å; W150-R181 HydrophobicContact CG-CB 3.93Å; W150-R181 HydrophobicContact CH2-CB 3.98Å; W150-R181 HydrophobicContact CH2-CG 4.4Å; W150-R181 HydrophobicContact CZ2-CB 3.71Å; W150-R181 HydrophobicContact CZ2-CG 3.8Å; W150-R181 HydrophobicContact CZ3-CB 3.94Å; F151-R181 PolarHBondContact N-O 2.81Å; R181-E380 IonicContact NH2-OE1 3.06Å
182	I	96.9	Very high	90.7	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.1	178.9	-53.7	-46.6	0	0	0	109.5	I132 I133 F151 W169 F172 A173 M176 I180	I132-I182 HydrophobicContact CG1-CG2 4.35Å; I133-I182 PolarHBondContact N-O 3.25Å; F151-I182 HydrophobicContact CB-CD1 4.07Å; W169-I182 HydrophobicContact CD2-CG2 4.37Å; W169-I182 VanDerWaalsContact CE2-CG2 3.46Å; W169-I182 HydrophobicContact CH2-CG2 4.37Å; W169-I182 HydrophobicContact CZ2-CG2 3.48Å; W169-I182 VanDerWaalsContact CZ2-CG2 3.48Å; F172-I182 HydrophobicContact CD1-CD1 4.27Å; F172-I182 HydrophobicContact CE1-CD1 3.45Å; F172-I182 VanDerWaalsContact CE1-CD1 3.45Å; F172-I182 HydrophobicContact CE1-CG1 4.21Å; F172-I182 HydrophobicContact CZ-CD1 3.96Å; A173-I182 HydrophobicContact CB-CB 4.07Å; A173-I182 HydrophobicContact CB-CG1 4.05Å; A173-I182 HydrophobicContact CB-CG2 3.95Å; M176-I182 HydrophobicContact CB-CD1 4.49Å; I180-I182 HydrophobicContact CD1-CD1 3.57Å; I180-I182 HydrophobicContact CG1-CD1 3.71Å
183	G	96.4	Very high	90.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	153.8	-177.3	0	0	0	0	0	112.8	I133 F151 V152 N153	I133-G183 CarbonylContact O-C 3.56Å; I133-G183 VanDerWaalsContact O-CA 3.3Å; I133-G183 WeakPolarHBondContact O-CA 3.27Å; F151-G183 PolarHBondContact O-N 2.97Å; V152-G183 WeakPolarHBondContact CA-O 3.41Å; N153-G183 PolarHBondContact N-O 2.92Å
184	A	97.5	Very high	90.2	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.5	166.6	0	0	0	0	0	110.8	Y126 I132 I133 T134 L135 N153 Y155	Y126-A184 HydrophobicContact CD2-CB 3.46Å; Y126-A184 VanDerWaalsContact CD2-CB 3.46Å; Y126-A184 HydrophobicContact CE2-CB 3.85Å; Y126-A184 HydrophobicContact CG-CB 4.27Å; I132-A184 HydrophobicContact CG2-CB 3.66Å; I133-A184 PolarHBondContact O-N 3.23Å; T134-A184 CarbonylContact C-O 3.5Å; T134-A184 WeakPolarHBondContact CA-O 3.25Å; L135-A184 PolarHBondContact N-O 3.29Å; N153-A184 CarbonylContact O-C 3.54Å; N153-A184 WeakPolarHBondContact O-CA 3.24Å; Y155-A184 HydrophobicContact CD1-CB 4.31Å; Y155-A184 HydrophobicContact CE1-CB 4.02Å
185	V	96.6	Very high	90.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.3	176.5	176.4	0	0	0	0	108.6	L135 F140 V152 N153 F154 Y155 C187 N190 L193	L135-V185 HydrophobicContact CB-CG2 3.92Å; F140-V185 HydrophobicContact CD2-CG2 3.85Å; F140-V185 HydrophobicContact CE2-CG2 3.96Å; V152-V185 HydrophobicContact CG1-CG2 3.78Å; N153-V185 PolarHBondContact O-N 2.77Å; F154-V185 HydrophobicContact CD1-CB 3.63Å; F154-V185 HydrophobicContact CD1-CG1 3.82Å; F154-V185 HydrophobicContact CD1-CG2 4.07Å; F154-V185 HydrophobicContact CE1-CB 3.92Å; F154-V185 HydrophobicContact CE1-CG1 4.05Å; F154-V185 HydrophobicContact CE1-CG2 3.85Å; F154-V185 HydrophobicContact CG-CB 4.39Å; F154-V185 HydrophobicContact CZ-CG2 4.49Å; Y155-V185 WeakPolarHBondContact CD1-O 3.38Å; Y155-V185 PolarHBondContact N-O 3.19Å; V185-C187 PolarHBondContact O-N 3.29Å; V185-N190 HydrophobicContact CG1-CB 4.25Å; V185-L193 HydrophobicContact CG1-CD2 3.88Å; V185-L193 HydrophobicContact CG2-CD2 4.49Å
186	N	94.6	Very high	90.2	Very high	17 Å²	17	39.4 Å²	39.4	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	104.4	170.6	-176.9	-4.3	0	0	0	109.4	Y155 P157 G188 D189 N190	Y155-N186 HydrophobicContact CE1-CB 3.97Å; Y155-N186 HydrophobicContact CE2-CB 4.35Å; P157-N186 WeakPolarHBondContact CD-OD1 3.47Å; P157-N186 WeakPolarHBondContact CG-OD1 3.35Å; N186-G188 PolarHBondContact O-N 3.15Å; N186-G188 WeakPolarHBondContact OD1-CA 3.47Å; N186-G188 PolarHBondContact OD1-N 3.14Å; N186-D189 HydrophobicContact CB-CB 4.49Å; N186-D189 PolarHBondContact ND2-OD1 3Å; N186-D189 PolarHBondContact ND2-OD2 2.06Å; N186-D189 PolarHBondContact O-N 2.94Å; N186-N190 WeakPolarHBondContact O-CB 3.47Å; N186-N190 PolarHBondContact O-N 3.01Å; N186-N190 PolarHBondContact O-ND2 3.12Å
187	C	94.2	Very high	90.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.8	178.6	-66.6	0	0	0	0	114.2	Y155 F156 V185 N191 C194 Y202	Y155-C187 WeakPolarHBondContact O-CB 3.46Å; Y155-C187 PolarHBondContact O-N 3.47Å; F156-C187 HydrophobicContact CD2-CB 4.43Å; V185-C187 PolarHBondContact O-N 3.29Å; C187-N191 WeakPolarHBondContact O-CA 3.38Å; C187-N191 PolarHBondContact O-N 2.98Å; C187-C194 WeakPolarHBondContact CA-SG 3.35Å; C187-C194 HydrophobicContact CB-CB 3.75Å; C187-C194 WeakPolarHBondContact CB-SG 3.22Å; C187-C194 WeakPolarHBondContact SG-CB 3.24Å; C187-C194 CovalentContact SG-SG 2.03Å; C187-C194 PolarHBondContact SG-SG 3.31Å; C187-Y202 HydrophobicContact CB-CD1 4.41Å; C187-Y202 HydrophobicContact CB-CE1 3.55Å; C187-Y202 VanDerWaalsContact SG-CE1 3.51Å
188	G	89.8	Confident	90.9	Very high	34 Å²	34	41.9 Å²	41.9	35%	0.351	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-45.5	169.3	0	0	0	0	0	111.3	F156 N186	F156-G188 VanDerWaalsContact CE2-CA 3.48Å; N186-G188 PolarHBondContact O-N 3.15Å; N186-G188 WeakPolarHBondContact OD1-CA 3.47Å; N186-G188 PolarHBondContact OD1-N 3.14Å
189	D	84.8	Confident	91.8	Very high	102 Å²	102	41.3 Å²	41.3	55%	0.545	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-29.3	178.7	-55.7	-19.6	0	0	0	111.7	N186	N186-D189 HydrophobicContact CB-CB 4.49Å; N186-D189 PolarHBondContact ND2-OD1 3Å; N186-D189 PolarHBondContact ND2-OD2 2.06Å; N186-D189 PolarHBondContact O-N 2.94Å
190	N	86.2	Confident	92.1	Very high	24 Å²	24	47.6 Å²	47.6	13%	0.128	24%	0.238	C	C	.	.			trans	-116.9	45	-172.9	-66.3	-88.3	0	0	0	113.3	D136 S137 V185 N186 H192 L193 C194	D136-N190 WeakPolarHBondContact CA-OD1 3.49Å; S137-N190 PolarHBondContact N-OD1 2.97Å; S137-N190 PolarHBondContact OG-OD1 2.95Å; V185-N190 HydrophobicContact CG1-CB 4.25Å; N186-N190 WeakPolarHBondContact O-CB 3.47Å; N186-N190 PolarHBondContact O-N 3.01Å; N186-N190 PolarHBondContact O-ND2 3.12Å; N190-H192 VanDerWaalsContact C-N 3.32Å; N190-H192 PolarHBondContact O-N 2.06Å; N190-L193 HydrophobicContact CB-CB 4.17Å; N190-L193 HydrophobicContact CB-CD2 4.36Å; N190-L193 PolarHBondContact O-N 3.03Å; N190-C194 PolarHBondContact O-N 2.83Å
191	N	87.6	Confident	92.3	Very high	74 Å²	74	50.2 Å²	50.2	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-55.2	-42.7	-175.9	-177.5	17.1	0	0	0	113.2	C187 L193 C194 R195	C187-N191 WeakPolarHBondContact O-CA 3.38Å; C187-N191 PolarHBondContact O-N 2.98Å; N191-L193 PolarHBondContact O-N 3.17Å; N191-C194 PolarHBondContact O-N 3.38Å; N191-R195 WeakPolarHBondContact O-CB 3.21Å; N191-R195 WeakPolarHBondContact O-CG 3.34Å; N191-R195 PolarHBondContact O-N 3.02Å; N191-R195 PolarHBondContact OD1-NE 3.25Å
192	H	84.2	Confident	92.5	Very high	128 Å²	128	51.8 Å²	51.8	59%	0.593	26%	0.263	S	S	*	.	H	α-helix	trans	-62.3	-44.4	178.9	-176.1	-89.9	0	0	0	112.4	N190 R196	N190-H192 VanDerWaalsContact C-N 3.32Å; N190-H192 PolarHBondContact O-N 2.06Å; H192-R196 PolarHBondContact ND1-NH2 2.81Å; H192-R196 VanDerWaalsContact O-CB 3.3Å; H192-R196 WeakPolarHBondContact O-CB 3.44Å; H192-R196 PolarHBondContact O-N 3.41Å
193	L	86.9	Confident	92.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-50.4	174.3	173	63.6	0	0	0	110.9	F140 V185 N190 N191 R195 R196 K197	F140-L193 HydrophobicContact CB-CD1 4.11Å; F140-L193 HydrophobicContact CB-CD2 3.9Å; F140-L193 HydrophobicContact CD1-CD1 3.94Å; F140-L193 HydrophobicContact CD2-CD2 3.99Å; F140-L193 HydrophobicContact CG-CD1 3.92Å; F140-L193 HydrophobicContact CG-CD2 3.96Å; V185-L193 HydrophobicContact CG1-CD2 3.88Å; V185-L193 HydrophobicContact CG2-CD2 4.49Å; N190-L193 HydrophobicContact CB-CB 4.17Å; N190-L193 HydrophobicContact CB-CD2 4.36Å; N190-L193 PolarHBondContact O-N 3.03Å; N191-L193 PolarHBondContact O-N 3.17Å; L193-R195 PolarHBondContact O-N 3.12Å; L193-R196 PolarHBondContact O-N 2.89Å; L193-K197 HydrophobicContact CD1-CG 4.02Å; L193-K197 WeakPolarHBondContact O-CG 3.44Å; L193-K197 PolarHBondContact O-N 3.2Å
194	C	94.9	Very high	92.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-41	-177.3	-65.8	0	0	0	0	112.6	C187 N190 N191 K197 G198 I199	C187-C194 WeakPolarHBondContact CA-SG 3.35Å; C187-C194 HydrophobicContact CB-CB 3.75Å; C187-C194 WeakPolarHBondContact CB-SG 3.22Å; C187-C194 WeakPolarHBondContact SG-CB 3.24Å; C187-C194 CovalentContact SG-SG 2.03Å; C187-C194 PolarHBondContact SG-SG 3.31Å; N190-C194 PolarHBondContact O-N 2.83Å; N191-C194 PolarHBondContact O-N 3.38Å; C194-K197 CarbonylContact O-C 3.53Å; C194-K197 PolarHBondContact O-N 3.37Å; C194-G198 PolarHBondContact O-N 3.08Å; C194-I199 HydrophobicContact CB-CB 4.11Å; C194-I199 HydrophobicContact CB-CG1 4.43Å; C194-I199 WeakPolarHBondContact O-CB 3.49Å; C194-I199 PolarHBondContact O-N 3.32Å
195	R	92.7	Very high	92.7	Very high	177 Å²	177	51.9 Å²	51.9	67%	0.668	26%	0.264	S	S	*	.	H	α-helix	trans	-62.4	-47	174.2	-74.5	-178.8	-177.9	-153.9	-4.2	112.4	N191 L193 K197 G198	N191-R195 WeakPolarHBondContact O-CB 3.21Å; N191-R195 WeakPolarHBondContact O-CG 3.34Å; N191-R195 PolarHBondContact O-N 3.02Å; N191-R195 PolarHBondContact OD1-NE 3.25Å; L193-R195 PolarHBondContact O-N 3.12Å; R195-K197 PolarHBondContact O-N 2.96Å; R195-G198 WeakPolarHBondContact O-CA 3.08Å; R195-G198 PolarHBondContact O-N 3.39Å
196	R	90.5	Very high	92.8	Very high	144 Å²	144	53.8 Å²	53.8	54%	0.543	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-32.5	177.7	174.4	168.3	42	174.4	-3.9	112.3	H192 L193 G198	H192-R196 PolarHBondContact ND1-NH2 2.81Å; H192-R196 VanDerWaalsContact O-CB 3.3Å; H192-R196 WeakPolarHBondContact O-CB 3.44Å; H192-R196 PolarHBondContact O-N 3.41Å; L193-R196 PolarHBondContact O-N 2.89Å; R196-G198 VanDerWaalsContact C-N 3.27Å
197	K	93.8	Very high	92.9	Very high	58 Å²	58	53 Å²	53	25%	0.252	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4.8	173.6	-62.7	-65.7	176.1	174.9	0	113.6	F140 E141 L193 C194 R195 I199	F140-K197 HydrophobicContact CE1-CD 4.02Å; F140-K197 HydrophobicContact CE1-CG 4.35Å; E141-K197 WeakPolarHBondContact OE1-CE 3.31Å; E141-K197 IonicContact OE1-NZ 3.14Å; E141-K197 PolarHBondContact OE1-NZ 2.62Å; E141-K197 IonicContact OE2-NZ 2.72Å; E141-K197 PolarHBondContact OE2-NZ 3.32Å; L193-K197 HydrophobicContact CD1-CG 4.02Å; L193-K197 WeakPolarHBondContact O-CG 3.44Å; L193-K197 PolarHBondContact O-N 3.2Å; C194-K197 CarbonylContact O-C 3.53Å; C194-K197 PolarHBondContact O-N 3.37Å; R195-K197 PolarHBondContact O-N 2.96Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 HydrophobicContact CB-CG1 4.15Å; K197-I199 PolarHBondContact O-N 2.92Å
198	G	95.1	Very high	93	Very high	40 Å²	40	53.8 Å²	53.8	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	24.6	176.5	0	0	0	0	0	114.5	C194 R195 R196 N200	C194-G198 PolarHBondContact O-N 3.08Å; R195-G198 WeakPolarHBondContact O-CA 3.08Å; R195-G198 PolarHBondContact O-N 3.39Å; R196-G198 VanDerWaalsContact C-N 3.27Å; G198-N200 PolarHBondContact O-N 3.3Å
199	I	97.1	Very high	93	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	26%	0.262	C	S	.	.			trans	-83.1	104.9	-178.8	-51.2	-59.8	0	0	0	110	F154 C194 K197 Y202 Y206	F154-I199 HydrophobicContact CB-CD1 4.39Å; F154-I199 HydrophobicContact CB-CG1 4.24Å; F154-I199 HydrophobicContact CB-CG2 3.9Å; F154-I199 HydrophobicContact CD1-CD1 4.35Å; F154-I199 HydrophobicContact CD1-CG1 3.84Å; F154-I199 HydrophobicContact CD2-CD1 3.81Å; F154-I199 HydrophobicContact CD2-CG1 4.22Å; F154-I199 HydrophobicContact CE1-CG1 4.19Å; F154-I199 HydrophobicContact CE2-CD1 4.1Å; F154-I199 HydrophobicContact CG-CD1 3.93Å; F154-I199 HydrophobicContact CG-CG1 3.84Å; F154-I199 HydrophobicContact CG-CG2 4.43Å; F154-I199 HydrophobicContact CZ-CD1 4.47Å; C194-I199 HydrophobicContact CB-CB 4.11Å; C194-I199 HydrophobicContact CB-CG1 4.43Å; C194-I199 WeakPolarHBondContact O-CB 3.49Å; C194-I199 PolarHBondContact O-N 3.32Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 HydrophobicContact CB-CG1 4.15Å; K197-I199 PolarHBondContact O-N 2.92Å; I199-Y202 HydrophobicContact CG2-CD1 4Å; I199-Y202 HydrophobicContact CG2-CE1 3.62Å; I199-Y206 HydrophobicContact CD1-CD2 3.93Å; I199-Y206 HydrophobicContact CD1-CE2 3.49Å; I199-Y206 VanDerWaalsContact CD1-CE2 3.49Å
200	N	91.9	Very high	93.1	Very high	147 Å²	147	51.4 Å²	51.4	79%	0.786	25%	0.251	S	S	*	.			trans	-111.1	1	-176	-56.2	-29.2	0	0	0	113.7	G198	G198-N200 PolarHBondContact O-N 3.3Å
201	S	94.7	Very high	92.9	Very high	61 Å²	61	54.2 Å²	54.2	43%	0.427	29%	0.286	S	S	.	.	S	Bend	trans	-151.2	148.6	-176.8	60.1	0	0	0	0	110.8	S204	S201-S204 WeakPolarHBondContact O-CB 3.46Å; S201-S204 PolarHBondContact O-OG 2.85Å; S201-S204 PolarHBondContact OG-OG 3.39Å
202	Y	96.4	Very high	93	Very high	70 Å²	70	55.8 Å²	55.8	28%	0.275	29%	0.291	S	S	.	.	S	Bend	trans	-126.7	143.6	-176.4	-48.6	-62.9	0	0	0	112.4	F156 C187 I199	F156-Y202 HydrophobicContact CB-CD1 4.42Å; F156-Y202 HydrophobicContact CB-CD2 3.59Å; F156-Y202 HydrophobicContact CB-CE2 4Å; F156-Y202 HydrophobicContact CB-CG 3.82Å; F156-Y202 HydrophobicContact CD2-CD2 4.37Å; F156-Y202 AromaticContact CD2-CE2 3.92Å; F156-Y202 HydrophobicContact CD2-CE2 3.92Å; F156-Y202 HydrophobicContact CG-CD2 4.19Å; F156-Y202 HydrophobicContact CG-CE2 4.2Å; C187-Y202 HydrophobicContact CB-CD1 4.41Å; C187-Y202 HydrophobicContact CB-CE1 3.55Å; C187-Y202 VanDerWaalsContact SG-CE1 3.51Å; I199-Y202 HydrophobicContact CG2-CD1 4Å; I199-Y202 HydrophobicContact CG2-CE1 3.62Å
203	P	97.5	Very high	93.5	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.019	30%	0.304	C	S	.	.	S	Bend	cis	-71.7	148.9	-13.7	30.6	-32.8	0	0	0	111	N153 F154 L165 R221	N153-P203 WeakPolarHBondContact OD1-CB 3.47Å; F154-P203 CarbonylContact O-C 3.54Å; F154-P203 VanDerWaalsContact O-CA 3.28Å; F154-P203 WeakPolarHBondContact O-CA 3.4Å; L165-P203 HydrophobicContact CB-CG 4.35Å; L165-P203 HydrophobicContact CD2-CB 3.84Å; L165-P203 HydrophobicContact CD2-CG 3.67Å; P203-R221 PolarHBondContact O-NH2 3.29Å
204	S	98.3	Very high	93.9	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.6	170.3	-76.3	0	0	0	0	109.9	F154 S201	F154-S204 PolarHBondContact N-O 3.45Å; F154-S204 PolarHBondContact O-N 2.8Å; S201-S204 WeakPolarHBondContact O-CB 3.46Å; S201-S204 PolarHBondContact O-OG 2.85Å; S201-S204 PolarHBondContact OG-OG 3.39Å
205	L	98.6	Very high	94	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.8	-173.2	-55.1	-173.6	0	0	0	109.5	F151 V152 N153 L165 W169 F217 R221 L226	F151-L205 HydrophobicContact CE2-CB 3.68Å; F151-L205 HydrophobicContact CZ-CB 4.13Å; V152-L205 WeakPolarHBondContact O-CA 3.32Å; N153-L205 HydrophobicContact CB-CD2 3.56Å; N153-L205 WeakPolarHBondContact OD1-CD2 3.4Å; L165-L205 HydrophobicContact CD2-CD1 4.07Å; L165-L205 HydrophobicContact CD2-CD2 3.82Å; L165-L205 HydrophobicContact CD2-CG 4.36Å; W169-L205 HydrophobicContact CH2-CD2 4.3Å; W169-L205 HydrophobicContact CZ3-CD1 4.12Å; W169-L205 HydrophobicContact CZ3-CD2 4.15Å; L205-F217 HydrophobicContact CB-CB 4.04Å; L205-F217 HydrophobicContact CD1-CD1 3.98Å; L205-F217 PolarHBondContact O-N 2.84Å; L205-R221 HydrophobicContact CD1-CG 4.35Å; L205-L226 HydrophobicContact CD1-CD2 3.84Å
206	Y	98.3	Very high	94.2	Very high	39 Å²	39	62.8 Å²	62.8	15%	0.153	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.7	-177.5	-78	-94.2	0	0	0	111.3	F151 V152 F154 I199 P214 E215 K216	F151-Y206 WeakPolarHBondContact CD2-O 2.99Å; V152-Y206 PolarHBondContact N-O 3.47Å; V152-Y206 PolarHBondContact O-N 3.05Å; F154-Y206 HydrophobicContact CD2-CD2 4.15Å; F154-Y206 HydrophobicContact CE2-CD2 4.21Å; I199-Y206 HydrophobicContact CD1-CD2 3.93Å; I199-Y206 HydrophobicContact CD1-CE2 3.49Å; I199-Y206 VanDerWaalsContact CD1-CE2 3.49Å; Y206-P214 HydrophobicContact CD1-CB 4.15Å; Y206-E215 WeakPolarHBondContact CA-O 3.44Å; Y206-K216 HydrophobicContact CD1-CB 3.94Å; Y206-K216 HydrophobicContact CD1-CG 4.39Å; Y206-K216 HydrophobicContact CE1-CB 3.51Å; Y206-K216 HydrophobicContact CE1-CD 4.36Å; Y206-K216 HydrophobicContact CE1-CG 3.9Å; Y206-K216 HydrophobicContact CE2-CD 4.29Å; Y206-K216 HydrophobicContact CE2-CG 4.01Å; Y206-K216 WeakPolarHBondContact OH-CD 3.29Å
207	I	97.4	Very high	94.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136	167.7	-149.2	173.9	0	0	0	110	I149 W150 F151 P214 E215 F229 F233	I149-I207 HydrophobicContact CG2-CD1 3.5Å; I149-I207 VanDerWaalsContact CG2-CD1 3.5Å; I149-I207 HydrophobicContact CG2-CG1 3.72Å; W150-I207 CarbonylContact O-C 3.53Å; W150-I207 VanDerWaalsContact O-CA 3.24Å; W150-I207 WeakPolarHBondContact O-CA 3.41Å; W150-I207 WeakPolarHBondContact O-CG1 3.01Å; F151-I207 HydrophobicContact CB-CG1 4.3Å; F151-I207 HydrophobicContact CD2-CB 4.37Å; I207-P214 CarbonylContact O-C 3.51Å; I207-P214 WeakPolarHBondContact O-CA 3.01Å; I207-P214 WeakPolarHBondContact O-CB 3.32Å; I207-E215 HydrophobicContact CG2-CB 3.9Å; I207-E215 PolarHBondContact N-O 3.37Å; I207-E215 PolarHBondContact O-N 2.93Å; I207-F229 HydrophobicContact CB-CE1 4.25Å; I207-F229 HydrophobicContact CG2-CE1 4.31Å; I207-F229 HydrophobicContact CG2-CZ 4.4Å; I207-F233 HydrophobicContact CD1-CB 3.81Å; I207-F233 HydrophobicContact CD1-CD2 3.21Å; I207-F233 HydrophobicContact CD1-CE2 3.91Å; I207-F233 HydrophobicContact CD1-CG 3.59Å; I207-F233 HydrophobicContact CG1-CD2 4.44Å; I207-F233 HydrophobicContact CG2-CD1 4.34Å; I207-F233 HydrophobicContact CG2-CD2 4.08Å; I207-F233 HydrophobicContact CG2-CE1 4.16Å; I207-F233 HydrophobicContact CG2-CE2 3.85Å; I207-F233 HydrophobicContact CG2-CG 4.29Å; I207-F233 HydrophobicContact CG2-CZ 3.88Å
208	Y	95.6	Very high	94.7	Very high	16 Å²	16	59.9 Å²	59.9	6%	0.063	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.3	178.1	-66.2	-99.5	0	0	0	109.4	F140 V144 W150 V152 F154 P214	F140-Y208 HydrophobicContact CE1-CE1 4.25Å; F140-Y208 AromaticContact CZ-CE1 3.99Å; F140-Y208 HydrophobicContact CZ-CE1 3.99Å; F140-Y208 HydrophobicContact CZ-CE2 4Å; F140-Y208 AromaticContact CZ-CZ 3.65Å; V144-Y208 HydrophobicContact CB-CD1 3.89Å; V144-Y208 HydrophobicContact CB-CG 3.8Å; V144-Y208 HydrophobicContact CG1-CD1 4.07Å; V144-Y208 HydrophobicContact CG1-CD2 4Å; V144-Y208 HydrophobicContact CG1-CG 3.75Å; V144-Y208 HydrophobicContact CG2-CD1 4.04Å; V144-Y208 HydrophobicContact CG2-CG 4.47Å; W150-Y208 PolarHBondContact N-O 3.5Å; W150-Y208 PolarHBondContact O-N 3.41Å; V152-Y208 HydrophobicContact CB-CD2 4.38Å; V152-Y208 HydrophobicContact CB-CE2 4.14Å; V152-Y208 HydrophobicContact CG2-CD2 3.91Å; V152-Y208 HydrophobicContact CG2-CE2 4.08Å; F154-Y208 HydrophobicContact CE2-CE2 4.04Å; F154-Y208 WeakPolarHBondContact CE2-OH 3.5Å; F154-Y208 HydrophobicContact CZ-CE2 4.35Å; F154-Y208 WeakPolarHBondContact CZ-OH 3.28Å; Y208-P214 HydrophobicContact CD1-CB 3.66Å; Y208-P214 HydrophobicContact CD1-CG 4.31Å; Y208-P214 HydrophobicContact CE1-CB 3.49Å; Y208-P214 VanDerWaalsContact CE1-CB 3.49Å; Y208-P214 HydrophobicContact CE1-CG 3.84Å; Y208-P214 HydrophobicContact CE2-CB 4.41Å; Y208-P214 HydrophobicContact CG-CB 4.15Å
209	R	91.5	Very high	94.7	Very high	48 Å²	48	59.8 Å²	59.8	18%	0.181	33%	0.326	C	S	.	.			trans	-137.4	135.8	173.6	-64.9	-176.2	-75.5	170.6	-1.1	107.5	I149 G211 Q212 E215 F233	I149-R209 HydrophobicContact CG1-CG 4.23Å; I149-R209 HydrophobicContact CG2-CG 4.2Å; R209-G211 PolarHBondContact O-N 2.77Å; R209-Q212 HydrophobicContact CB-CB 4.24Å; R209-Q212 HydrophobicContact CB-CG 4.49Å; R209-Q212 PolarHBondContact O-N 3.03Å; R209-E215 IonicContact CZ-OE1 2.75Å; R209-E215 IonicContact NH2-OE1 3.43Å; R209-E215 PolarHBondContact NH2-OE1 3.29Å; R209-F233 VanDerWaalsContact CZ-CD1 3.44Å
210	A	85.3	Confident	94.6	Very high	38 Å²	38	66.4 Å²	66.4	31%	0.314	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	133	-177.1	0	0	0	0	0	111.3	Q212	A210-Q212 PolarHBondContact O-N 2.91Å
211	G	82.6	Confident	94.9	Very high	84 Å²	84	64.1 Å²	64.1	87%	0.866	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	2.4	179.9	0	0	0	0	0	115.7	R209	R209-G211 PolarHBondContact O-N 2.77Å
212	Q	90.9	Very high	94.9	Very high	106 Å²	106	63.9 Å²	63.9	50%	0.495	33%	0.331	S	S	.	.	S	Bend	trans	-117.4	157.1	179.6	-58.6	-172.2	5.9	0	0	111.6	R209 A210	R209-Q212 HydrophobicContact CB-CB 4.24Å; R209-Q212 HydrophobicContact CB-CG 4.49Å; R209-Q212 PolarHBondContact O-N 3.03Å; A210-Q212 PolarHBondContact O-N 2.91Å
213	R	92.8	Very high	94.9	Very high	226 Å²	226	65.4 Å²	65.4	85%	0.853	34%	0.337	S	S	*	.			trans	-70.1	139.4	174.3	-71.7	-176.5	177.9	160.1	0.5	109.6
214	P	96.1	Very high	94.7	Very high	58 Å²	58	68.8 Å²	68.8	38%	0.377	36%	0.355	S	S	.	.			trans	-68.5	141.4	178.7	28.6	-34.5	0	0	0	111.2	Y206 I207 Y208	Y206-P214 HydrophobicContact CD1-CB 4.15Å; I207-P214 CarbonylContact O-C 3.51Å; I207-P214 WeakPolarHBondContact O-CA 3.01Å; I207-P214 WeakPolarHBondContact O-CB 3.32Å; Y208-P214 HydrophobicContact CD1-CB 3.66Å; Y208-P214 HydrophobicContact CD1-CG 4.31Å; Y208-P214 HydrophobicContact CE1-CB 3.49Å; Y208-P214 VanDerWaalsContact CE1-CB 3.49Å; Y208-P214 HydrophobicContact CE1-CG 3.84Å; Y208-P214 HydrophobicContact CE2-CB 4.41Å; Y208-P214 HydrophobicContact CG-CB 4.15Å
215	E	97.1	Very high	94.7	Very high	77 Å²	77	70.3 Å²	70.3	36%	0.36	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.5	-179.4	-60.6	178.2	-132.7	0	0	110.6	Y206 I207 R209 F233	Y206-E215 WeakPolarHBondContact CA-O 3.44Å; I207-E215 HydrophobicContact CG2-CB 3.9Å; I207-E215 PolarHBondContact N-O 3.37Å; I207-E215 PolarHBondContact O-N 2.93Å; R209-E215 IonicContact CZ-OE1 2.75Å; R209-E215 IonicContact NH2-OE1 3.43Å; R209-E215 PolarHBondContact NH2-OE1 3.29Å; E215-F233 HydrophobicContact CB-CZ 4.35Å; E215-F233 HydrophobicContact CG-CE1 4.49Å; E215-F233 WeakPolarHBondContact OE1-CE1 3.49Å; E215-F233 VanDerWaalsContact OE2-CE1 3.23Å; E215-F233 WeakPolarHBondContact OE2-CE1 3.39Å; E215-F233 WeakPolarHBondContact OE2-CZ 3.49Å
216	K	97.5	Very high	94.6	Very high	92 Å²	92	70.2 Å²	70.2	40%	0.4	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.9	-178.8	-168.1	179.9	-172.9	170.7	0	110.1	Y206 T218	Y206-K216 HydrophobicContact CD1-CB 3.94Å; Y206-K216 HydrophobicContact CD1-CG 4.39Å; Y206-K216 HydrophobicContact CE1-CB 3.51Å; Y206-K216 HydrophobicContact CE1-CD 4.36Å; Y206-K216 HydrophobicContact CE1-CG 3.9Å; Y206-K216 HydrophobicContact CE2-CD 4.29Å; Y206-K216 HydrophobicContact CE2-CG 4.01Å; Y206-K216 WeakPolarHBondContact OH-CD 3.29Å; K216-T218 HydrophobicContact CD-CG2 4.35Å; K216-T218 HydrophobicContact CG-CG2 4.35Å
217	F	97.9	Very high	94.4	Very high	19 Å²	19	68.4 Å²	68.4	8%	0.083	36%	0.355	C	S	.	.			trans	-79.7	123.4	167.2	178.4	-100	0	0	0	110.6	F151 L205 G219 E220 R221 N225 L226 F229	F151-F217 HydrophobicContact CE2-CB 4.1Å; F151-F217 HydrophobicContact CZ-CB 3.8Å; F151-F217 HydrophobicContact CZ-CG 4.14Å; L205-F217 HydrophobicContact CB-CB 4.04Å; L205-F217 HydrophobicContact CD1-CD1 3.98Å; L205-F217 PolarHBondContact O-N 2.84Å; F217-G219 WeakPolarHBondContact CE1-O 3.12Å; F217-E220 WeakPolarHBondContact CZ-O 2.97Å; F217-R221 HydrophobicContact CE1-CG 4.19Å; F217-N225 HydrophobicContact CZ-CB 4.18Å; F217-L226 HydrophobicContact CD1-CD2 3.89Å; F217-L226 HydrophobicContact CE1-CD2 3.64Å; F217-L226 HydrophobicContact CE2-CD2 4.42Å; F217-L226 HydrophobicContact CG-CD2 4.35Å; F217-L226 HydrophobicContact CZ-CD2 3.92Å; F217-F229 HydrophobicContact CB-CD1 4.07Å; F217-F229 HydrophobicContact CB-CE1 3.78Å; F217-F229 HydrophobicContact CB-CZ 4.1Å; F217-F229 HydrophobicContact CD2-CB 3.73Å; F217-F229 AromaticContact CD2-CD1 3.59Å; F217-F229 HydrophobicContact CD2-CD1 3.59Å; F217-F229 AromaticContact CD2-CD2 3.82Å; F217-F229 HydrophobicContact CD2-CD2 3.82Å; F217-F229 HydrophobicContact CD2-CE1 4.09Å; F217-F229 HydrophobicContact CD2-CE2 4.29Å; F217-F229 AromaticContact CD2-CG 3.43Å; F217-F229 HydrophobicContact CD2-CG 3.43Å; F217-F229 VanDerWaalsContact CD2-CG 3.43Å; F217-F229 HydrophobicContact CD2-CZ 4.41Å; F217-F229 HydrophobicContact CE2-CB 3.77Å; F217-F229 HydrophobicContact CE2-CD1 4.44Å; F217-F229 HydrophobicContact CE2-CD2 4.47Å; F217-F229 HydrophobicContact CE2-CG 4.01Å; F217-F229 HydrophobicContact CG-CD1 4.22Å; F217-F229 HydrophobicContact CG-CE1 4.4Å; F217-F229 HydrophobicContact CG-CG 4.46Å
218	T	96.3	Very high	94.3	Very high	123 Å²	123	75.2 Å²	75.2	76%	0.755	38%	0.381	S	S	*	.			trans	-117	-2.9	-178.1	54.8	0	0	0	0	113.6	K216	K216-T218 HydrophobicContact CD-CG2 4.35Å; K216-T218 HydrophobicContact CG-CG2 4.35Å
219	G	94.8	Very high	94.3	Very high	37 Å²	37	75.9 Å²	75.9	38%	0.381	38%	0.384	S	S	.	.	S	Bend	trans	-75	179.1	180	0	0	0	0	0	113.8	F217 R221	F217-G219 WeakPolarHBondContact CE1-O 3.12Å; G219-R221 PolarHBondContact O-N 3.04Å
220	E	96.3	Very high	94.4	Very high	143 Å²	143	73.6 Å²	73.6	67%	0.668	38%	0.375	S	S	*	.			trans	-64.7	132.5	172	-61.8	-178.3	168.8	0	0	110.7	F217 N222 N225	F217-E220 WeakPolarHBondContact CZ-O 2.97Å; E220-N222 PolarHBondContact O-N 2.9Å; E220-N222 PolarHBondContact OE2-ND2 3.44Å; E220-N225 VanDerWaalsContact O-CB 3.32Å; E220-N225 WeakPolarHBondContact O-CB 3.23Å; E220-N225 PolarHBondContact O-ND2 3.06Å
221	R	96.2	Very high	94.6	Very high	100 Å²	100	72.5 Å²	72.5	38%	0.377	36%	0.364	S	S	.	.			trans	-84.4	45.7	-171.2	-48.8	175.6	-174.3	140.3	-4.2	112.8	L165 T168 P203 L205 F217 G219	L165-R221 HydrophobicContact CD1-CB 3.7Å; L165-R221 HydrophobicContact CD1-CG 4.48Å; T168-R221 WeakPolarHBondContact CG2-O 3.11Å; P203-R221 PolarHBondContact O-NH2 3.29Å; L205-R221 HydrophobicContact CD1-CG 4.35Å; F217-R221 HydrophobicContact CE1-CG 4.19Å; G219-R221 PolarHBondContact O-N 3.04Å
222	N	96.7	Very high	95	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.294	35%	0.352	S	S	.	.			trans	-91	157.1	169.1	67.3	59.5	0	0	0	110.3	E220 D224 N225 L226	E220-N222 PolarHBondContact O-N 2.9Å; E220-N222 PolarHBondContact OE2-ND2 3.44Å; N222-D224 VanDerWaalsContact C-N 3.34Å; N222-D224 PolarHBondContact O-N 3.1Å; N222-D224 PolarHBondContact OD1-N 3.36Å; N222-N225 PolarHBondContact ND2-ND2 3.25Å; N222-N225 PolarHBondContact O-N 3.08Å; N222-N225 VanDerWaalsContact OD1-CB 3.31Å; N222-N225 WeakPolarHBondContact OD1-CB 3.35Å; N222-N225 VanDerWaalsContact OD1-CG 3.26Å; N222-N225 PolarHBondContact OD1-N 3.41Å; N222-L226 WeakPolarHBondContact O-CG 3.47Å; N222-L226 PolarHBondContact O-N 2.57Å; N222-L226 VanDerWaalsContact O-N 3.1Å
223	R	95.5	Very high	95	Very high	102 Å²	102	70.2 Å²	70.2	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-54.3	-48.5	-173.8	-174.1	-163.6	68.4	-176.1	-1	112.2	T168 N225 L226 V227	T168-R223 HydrophobicContact CG2-CB 4.13Å; R223-N225 VanDerWaalsContact C-N 3.35Å; R223-N225 PolarHBondContact O-N 3.5Å; R223-L226 PolarHBondContact O-N 2.98Å; R223-V227 WeakPolarHBondContact O-CG2 3.19Å; R223-V227 PolarHBondContact O-N 3.15Å
224	D	94.2	Very high	94.8	Very high	75 Å²	75	59.9 Å²	59.9	40%	0.401	29%	0.292	S	S	.	.	H	α-helix	trans	-67.7	-35.4	-173.2	-62.9	-17.8	0	0	0	112.3	N222 R228	N222-D224 VanDerWaalsContact C-N 3.34Å; N222-D224 PolarHBondContact O-N 3.1Å; N222-D224 PolarHBondContact OD1-N 3.36Å; D224-R228 VanDerWaalsContact O-CB 3.32Å; D224-R228 WeakPolarHBondContact O-CB 3.4Å; D224-R228 PolarHBondContact O-N 3.46Å
225	N	97	Very high	93.9	Very high	34 Å²	34	62.5 Å²	62.5	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-39.5	173.9	-75.1	-8.7	0	0	0	112.3	F217 E220 N222 R223 R228 F229	F217-N225 HydrophobicContact CZ-CB 4.18Å; E220-N225 VanDerWaalsContact O-CB 3.32Å; E220-N225 WeakPolarHBondContact O-CB 3.23Å; E220-N225 PolarHBondContact O-ND2 3.06Å; N222-N225 PolarHBondContact ND2-ND2 3.25Å; N222-N225 PolarHBondContact O-N 3.08Å; N222-N225 VanDerWaalsContact OD1-CB 3.31Å; N222-N225 WeakPolarHBondContact OD1-CB 3.35Å; N222-N225 VanDerWaalsContact OD1-CG 3.26Å; N222-N225 PolarHBondContact OD1-N 3.41Å; R223-N225 VanDerWaalsContact C-N 3.35Å; R223-N225 PolarHBondContact O-N 3.5Å; N225-R228 PolarHBondContact O-N 3.38Å; N225-R228 PolarHBondContact OD1-NH1 3.2Å; N225-F229 WeakPolarHBondContact O-CB 3.37Å; N225-F229 PolarHBondContact O-N 3.42Å
226	L	97.4	Very high	93.1	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-46.5	174.7	-67.2	173.3	0	0	0	110.7	F151 T168 W169 F172 L205 F217 N222 R223 F229 S230	F151-L226 HydrophobicContact CE1-CB 4.47Å; F151-L226 HydrophobicContact CE1-CD2 3.9Å; F151-L226 HydrophobicContact CZ-CD2 3.94Å; T168-L226 HydrophobicContact CG2-CD1 4.19Å; W169-L226 HydrophobicContact CE3-CD1 4.05Å; W169-L226 HydrophobicContact CZ3-CD1 4.23Å; W169-L226 HydrophobicContact CZ3-CD2 4.32Å; F172-L226 HydrophobicContact CB-CD1 4.16Å; F172-L226 HydrophobicContact CD1-CD1 4.36Å; F172-L226 HydrophobicContact CD2-CB 3.58Å; F172-L226 HydrophobicContact CD2-CD1 4.45Å; F172-L226 HydrophobicContact CE2-CB 3.74Å; F172-L226 HydrophobicContact CG-CB 4.01Å; F172-L226 HydrophobicContact CG-CD1 4.06Å; F172-L226 HydrophobicContact CZ-CB 4.29Å; L205-L226 HydrophobicContact CD1-CD2 3.84Å; F217-L226 HydrophobicContact CD1-CD2 3.89Å; F217-L226 HydrophobicContact CE1-CD2 3.64Å; F217-L226 HydrophobicContact CE2-CD2 4.42Å; F217-L226 HydrophobicContact CG-CD2 4.35Å; F217-L226 HydrophobicContact CZ-CD2 3.92Å; N222-L226 WeakPolarHBondContact O-CG 3.47Å; N222-L226 PolarHBondContact O-N 2.57Å; N222-L226 VanDerWaalsContact O-N 3.1Å; R223-L226 PolarHBondContact O-N 2.98Å; L226-F229 PolarHBondContact O-N 2.75Å; L226-S230 WeakPolarHBondContact O-CB 3.36Å; L226-S230 PolarHBondContact O-N 2.85Å; L226-S230 PolarHBondContact O-OG 3.28Å; L226-S230 VanDerWaalsContact O-OG 3.1Å
227	V	94.1	Very high	92.5	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-61.8	-49.6	175.8	178.9	0	0	0	0	111	F172 E175 M176 R223 F229 S230 M231	F172-V227 HydrophobicContact CD2-CG2 3.73Å; F172-V227 HydrophobicContact CE2-CB 4.49Å; F172-V227 HydrophobicContact CE2-CG2 3.89Å; E175-V227 HydrophobicContact CG-CG2 3.75Å; M176-V227 HydrophobicContact CG-CG2 4.2Å; M176-V227 HydrophobicContact SD-CB 4.37Å; M176-V227 HydrophobicContact SD-CG1 3.7Å; M176-V227 HydrophobicContact SD-CG2 4.11Å; R223-V227 WeakPolarHBondContact O-CG2 3.19Å; R223-V227 PolarHBondContact O-N 3.15Å; V227-F229 VanDerWaalsContact C-N 3.27Å; V227-F229 PolarHBondContact O-N 2.8Å; V227-S230 PolarHBondContact O-N 2.94Å; V227-S230 VanDerWaalsContact O-N 3.13Å; V227-M231 HydrophobicContact CG1-CG 3.8Å; V227-M231 HydrophobicContact CG1-SD 4.49Å; V227-M231 WeakPolarHBondContact O-CB 3.45Å; V227-M231 WeakPolarHBondContact O-CG 3.26Å; V227-M231 PolarHBondContact O-N 3Å
228	R	93.8	Very high	92.2	Very high	145 Å²	145	64.3 Å²	64.3	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-56.9	-43.3	-179.6	-168.4	-175.6	-51.6	114.5	9.8	111.8	D224 N225 Q232	D224-R228 VanDerWaalsContact O-CB 3.32Å; D224-R228 WeakPolarHBondContact O-CB 3.4Å; D224-R228 PolarHBondContact O-N 3.46Å; N225-R228 PolarHBondContact O-N 3.38Å; N225-R228 PolarHBondContact OD1-NH1 3.2Å; R228-Q232 WeakPolarHBondContact O-CG 3.25Å
229	F	95.7	Very high	92.2	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.132	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-51.2	175.1	177.4	-107.4	0	0	0	111.2	F151 I207 F217 N225 L226 V227 M231 Q232 F233	F151-F229 AromaticContact CE1-CD1 3.95Å; F151-F229 HydrophobicContact CE1-CD1 3.95Å; F151-F229 HydrophobicContact CE1-CE1 4.44Å; F151-F229 HydrophobicContact CE2-CD1 4.46Å; F151-F229 HydrophobicContact CE2-CE1 4.17Å; F151-F229 AromaticContact CZ-CD1 3.75Å; F151-F229 HydrophobicContact CZ-CD1 3.75Å; F151-F229 AromaticContact CZ-CE1 3.9Å; F151-F229 HydrophobicContact CZ-CE1 3.9Å; I207-F229 HydrophobicContact CB-CE1 4.25Å; I207-F229 HydrophobicContact CG2-CE1 4.31Å; I207-F229 HydrophobicContact CG2-CZ 4.4Å; F217-F229 HydrophobicContact CB-CD1 4.07Å; F217-F229 HydrophobicContact CB-CE1 3.78Å; F217-F229 HydrophobicContact CB-CZ 4.1Å; F217-F229 HydrophobicContact CD2-CB 3.73Å; F217-F229 AromaticContact CD2-CD1 3.59Å; F217-F229 HydrophobicContact CD2-CD1 3.59Å; F217-F229 AromaticContact CD2-CD2 3.82Å; F217-F229 HydrophobicContact CD2-CD2 3.82Å; F217-F229 HydrophobicContact CD2-CE1 4.09Å; F217-F229 HydrophobicContact CD2-CE2 4.29Å; F217-F229 AromaticContact CD2-CG 3.43Å; F217-F229 HydrophobicContact CD2-CG 3.43Å; F217-F229 VanDerWaalsContact CD2-CG 3.43Å; F217-F229 HydrophobicContact CD2-CZ 4.41Å; F217-F229 HydrophobicContact CE2-CB 3.77Å; F217-F229 HydrophobicContact CE2-CD1 4.44Å; F217-F229 HydrophobicContact CE2-CD2 4.47Å; F217-F229 HydrophobicContact CE2-CG 4.01Å; F217-F229 HydrophobicContact CG-CD1 4.22Å; F217-F229 HydrophobicContact CG-CE1 4.4Å; F217-F229 HydrophobicContact CG-CG 4.46Å; N225-F229 WeakPolarHBondContact O-CB 3.37Å; N225-F229 PolarHBondContact O-N 3.42Å; L226-F229 PolarHBondContact O-N 2.75Å; V227-F229 VanDerWaalsContact C-N 3.27Å; V227-F229 PolarHBondContact O-N 2.8Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 PolarHBondContact O-N 3.38Å; F229-Q232 WeakPolarHBondContact O-CB 3.24Å; F229-Q232 PolarHBondContact O-N 2.96Å; F229-F233 AromaticContact CD1-CE2 3.91Å; F229-F233 HydrophobicContact CD1-CE2 3.91Å; F229-F233 AromaticContact CD2-CE2 3.88Å; F229-F233 HydrophobicContact CD2-CE2 3.88Å; F229-F233 HydrophobicContact CD2-CZ 4.34Å; F229-F233 AromaticContact CE1-CE2 3.63Å; F229-F233 HydrophobicContact CE1-CE2 3.63Å; F229-F233 HydrophobicContact CE1-CZ 4.28Å; F229-F233 AromaticContact CE2-CE2 3.6Å; F229-F233 HydrophobicContact CE2-CE2 3.6Å; F229-F233 AromaticContact CE2-CZ 3.7Å; F229-F233 HydrophobicContact CE2-CZ 3.7Å; F229-F233 HydrophobicContact CG-CE2 4.04Å; F229-F233 AromaticContact CZ-CE2 3.47Å; F229-F233 HydrophobicContact CZ-CE2 3.47Å; F229-F233 VanDerWaalsContact CZ-CE2 3.47Å; F229-F233 AromaticContact CZ-CZ 3.67Å; F229-F233 HydrophobicContact CZ-CZ 3.67Å; F229-F233 WeakPolarHBondContact O-CD2 3.19Å; F229-F233 WeakPolarHBondContact O-CE2 3.35Å
230	S	93.9	Very high	92.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-39.9	179.7	-66.2	0	0	0	0	113.7	F151 F172 L226 V227 Q232 F233	F151-S230 WeakPolarHBondContact CD1-OG 3.34Å; F151-S230 WeakPolarHBondContact CE1-OG 3.11Å; F172-S230 WeakPolarHBondContact CZ-OG 3.36Å; L226-S230 WeakPolarHBondContact O-CB 3.36Å; L226-S230 PolarHBondContact O-N 2.85Å; L226-S230 PolarHBondContact O-OG 3.28Å; L226-S230 VanDerWaalsContact O-OG 3.1Å; V227-S230 PolarHBondContact O-N 2.94Å; V227-S230 VanDerWaalsContact O-N 3.13Å; S230-Q232 PolarHBondContact O-N 3.49Å; S230-F233 PolarHBondContact O-N 3.31Å; S230-F233 VanDerWaalsContact O-N 3.1Å
231	M	90.1	Very high	92.2	Very high	15 Å²	15	54.9 Å²	54.9	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-26.2	-179.8	-68.3	-66.2	-58.5	0	0	112.9	M176 V227 F229 F233 I234 R275 Q278 K279	M176-M231 HydrophobicContact CE-SD 3.98Å; M176-M231 HydrophobicContact SD-SD 4.46Å; V227-M231 HydrophobicContact CG1-CG 3.8Å; V227-M231 HydrophobicContact CG1-SD 4.49Å; V227-M231 WeakPolarHBondContact O-CB 3.45Å; V227-M231 WeakPolarHBondContact O-CG 3.26Å; V227-M231 PolarHBondContact O-N 3Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 PolarHBondContact O-N 3.38Å; M231-F233 PolarHBondContact O-N 3.49Å; M231-I234 HydrophobicContact CE-CD1 3.92Å; M231-I234 PolarHBondContact O-N 3.15Å; M231-I234 HydrophobicContact SD-CD1 3.46Å; M231-I234 WeakPolarHBondContact SD-CD1 3.49Å; M231-R275 HydrophobicContact CE-CG 4.42Å; M231-Q278 HydrophobicContact CE-CB 3.8Å; M231-Q278 HydrophobicContact CE-CG 3.6Å; M231-Q278 VanDerWaalsContact CE-OE1 3.27Å; M231-K279 HydrophobicContact CE-CG 4.42Å; M231-K279 HydrophobicContact SD-CG 4.25Å
232	Q	91.6	Very high	92.2	Very high	131 Å²	131	56.1 Å²	56.1	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.9	176.8	-67.3	169.6	-7.6	0	0	112.8	R228 F229 S230	R228-Q232 WeakPolarHBondContact O-CG 3.25Å; F229-Q232 WeakPolarHBondContact O-CB 3.24Å; F229-Q232 PolarHBondContact O-N 2.96Å; S230-Q232 PolarHBondContact O-N 3.49Å
233	F	90.7	Very high	92	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.044	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-8.9	-178.1	-58.6	-69.4	0	0	0	113.4	I149 I207 R209 E215 F229 S230 M231 T235	I149-F233 HydrophobicContact CD1-CB 4.43Å; I149-F233 VanDerWaalsContact CD1-O 3.26Å; I149-F233 WeakPolarHBondContact CD1-O 3.24Å; I149-F233 HydrophobicContact CG2-CB 4.49Å; I207-F233 HydrophobicContact CD1-CB 3.81Å; I207-F233 HydrophobicContact CD1-CD2 3.21Å; I207-F233 HydrophobicContact CD1-CE2 3.91Å; I207-F233 HydrophobicContact CD1-CG 3.59Å; I207-F233 HydrophobicContact CG1-CD2 4.44Å; I207-F233 HydrophobicContact CG2-CD1 4.34Å; I207-F233 HydrophobicContact CG2-CD2 4.08Å; I207-F233 HydrophobicContact CG2-CE1 4.16Å; I207-F233 HydrophobicContact CG2-CE2 3.85Å; I207-F233 HydrophobicContact CG2-CG 4.29Å; I207-F233 HydrophobicContact CG2-CZ 3.88Å; R209-F233 VanDerWaalsContact CZ-CD1 3.44Å; E215-F233 HydrophobicContact CB-CZ 4.35Å; E215-F233 HydrophobicContact CG-CE1 4.49Å; E215-F233 WeakPolarHBondContact OE1-CE1 3.49Å; E215-F233 VanDerWaalsContact OE2-CE1 3.23Å; E215-F233 WeakPolarHBondContact OE2-CE1 3.39Å; E215-F233 WeakPolarHBondContact OE2-CZ 3.49Å; F229-F233 AromaticContact CD1-CE2 3.91Å; F229-F233 HydrophobicContact CD1-CE2 3.91Å; F229-F233 AromaticContact CD2-CE2 3.88Å; F229-F233 HydrophobicContact CD2-CE2 3.88Å; F229-F233 HydrophobicContact CD2-CZ 4.34Å; F229-F233 AromaticContact CE1-CE2 3.63Å; F229-F233 HydrophobicContact CE1-CE2 3.63Å; F229-F233 HydrophobicContact CE1-CZ 4.28Å; F229-F233 AromaticContact CE2-CE2 3.6Å; F229-F233 HydrophobicContact CE2-CE2 3.6Å; F229-F233 AromaticContact CE2-CZ 3.7Å; F229-F233 HydrophobicContact CE2-CZ 3.7Å; F229-F233 HydrophobicContact CG-CE2 4.04Å; F229-F233 AromaticContact CZ-CE2 3.47Å; F229-F233 HydrophobicContact CZ-CE2 3.47Å; F229-F233 VanDerWaalsContact CZ-CE2 3.47Å; F229-F233 AromaticContact CZ-CZ 3.67Å; F229-F233 HydrophobicContact CZ-CZ 3.67Å; F229-F233 WeakPolarHBondContact O-CD2 3.19Å; F229-F233 WeakPolarHBondContact O-CE2 3.35Å; S230-F233 PolarHBondContact O-N 3.31Å; S230-F233 VanDerWaalsContact O-N 3.1Å; M231-F233 PolarHBondContact O-N 3.49Å; F233-T235 PolarHBondContact O-N 3.32Å; F233-T235 VanDerWaalsContact O-N 3.12Å
234	I	87.1	Confident	91.8	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.046	28%	0.276	C	S	.	.			trans	-79.9	93.3	172.4	-56	172.2	0	0	0	107.2	M176 V179 M231 T236 Q278	M176-I234 HydrophobicContact CE-CD1 4.37Å; V179-I234 HydrophobicContact CG1-CD1 3.32Å; V179-I234 HydrophobicContact CG1-CG1 4.28Å; M231-I234 HydrophobicContact CE-CD1 3.92Å; M231-I234 PolarHBondContact O-N 3.15Å; M231-I234 HydrophobicContact SD-CD1 3.46Å; M231-I234 WeakPolarHBondContact SD-CD1 3.49Å; I234-T236 VanDerWaalsContact C-N 3.28Å; I234-T236 VanDerWaalsContact CG2-OG1 3.25Å; I234-T236 WeakPolarHBondContact CG2-OG1 3.47Å; I234-Q278 HydrophobicContact CG2-CG 4.36Å
235	T	78.5	Confident	91.9	Very high	114 Å²	114	53.5 Å²	53.5	70%	0.699	26%	0.264	S	S	*	.			trans	-84.7	-1.4	-177	53.5	0	0	0	0	113.4	F233 K237	F233-T235 PolarHBondContact O-N 3.32Å; F233-T235 VanDerWaalsContact O-N 3.12Å; T235-K237 PolarHBondContact O-N 2.92Å
236	T	79.9	Confident	91.6	Very high	25 Å²	25	51.9 Å²	51.9	15%	0.153	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67.6	125.5	179.3	29.2	0	0	0	0	111.2	I234 A281 G282 D285	I234-T236 VanDerWaalsContact C-N 3.28Å; I234-T236 VanDerWaalsContact CG2-OG1 3.25Å; I234-T236 WeakPolarHBondContact CG2-OG1 3.47Å; T236-A281 WeakPolarHBondContact CB-O 3.34Å; T236-A281 WeakPolarHBondContact CG2-O 3.21Å; T236-A281 PolarHBondContact OG1-O 2.9Å; T236-A281 VanDerWaalsContact OG1-O 3.08Å; T236-G282 WeakPolarHBondContact OG1-CA 3.46Å; T236-G282 PolarHBondContact OG1-N 3.18Å; T236-D285 HydrophobicContact CG2-CB 3.64Å; T236-D285 WeakPolarHBondContact CG2-OD1 3.35Å
237	K	83.9	Confident	91.2	Very high	164 Å²	164	57 Å²	57	71%	0.713	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-79.7	126.1	-177.6	-172.3	-178.8	178.4	-171.3	0	109.9	T235	T235-K237 PolarHBondContact O-N 2.92Å
238	V	93.4	Very high	91.1	Very high	37 Å²	37	60.8 Å²	60.8	22%	0.224	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-84.4	121.3	161.2	179	0	0	0	0	107.3	R277 Q278 A281 V290	V238-R277 HydrophobicContact CG1-CB 4.02Å; V238-R277 HydrophobicContact CG2-CB 4.05Å; V238-Q278 HydrophobicContact CG2-CB 4.46Å; V238-A281 HydrophobicContact CG2-CB 3.8Å; V238-V290 WeakPolarHBondContact CA-O 3.26Å
239	T	95.6	Very high	91.1	Very high	16 Å²	16	57.1 Å²	57.1	10%	0.098	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.7	-176.2	-60	0	0	0	0	110.7	L241 W260 V290 G291 W292	T239-L241 HydrophobicContact CG2-CD2 3.95Å; T239-W260 HydrophobicContact CG2-CH2 4.28Å; T239-V290 PolarHBondContact N-O 2.74Å; T239-V290 VanDerWaalsContact N-O 3.11Å; T239-G291 CarbonylContact O-C 3.47Å; T239-G291 WeakPolarHBondContact O-CA 3.32Å; T239-W292 PolarHBondContact O-N 3.34Å
240	E	96.1	Very high	90.8	Very high	89 Å²	89	56.8 Å²	56.8	42%	0.416	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.3	164.2	-173.7	178.3	172.2	0	0	109	N245 W292	E240-N245 PolarHBondContact O-ND2 3.43Å; E240-W292 WeakPolarHBondContact CA-O 3.07Å; E240-W292 HydrophobicContact CB-CZ2 4.02Å; E240-W292 VanDerWaalsContact CD-CZ2 3.48Å; E240-W292 HydrophobicContact CG-CD2 4.43Å; E240-W292 HydrophobicContact CG-CH2 4.24Å; E240-W292 HydrophobicContact CG-CZ2 3.61Å
241	L	95.6	Very high	90.5	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-101.7	132	179.9	-60.1	172.5	0	0	0	109	T239 N245 V246 E249 W260 I262 W292 M293	T239-L241 HydrophobicContact CG2-CD2 3.95Å; L241-N245 WeakPolarHBondContact CA-OD1 3.47Å; L241-V246 HydrophobicContact CB-CB 4.43Å; L241-V246 HydrophobicContact CB-CG2 4.41Å; L241-E249 HydrophobicContact CD2-CB 4.03Å; L241-E249 HydrophobicContact CD2-CG 4.3Å; L241-W260 HydrophobicContact CD1-CE3 4.09Å; L241-W260 HydrophobicContact CD1-CZ3 4.09Å; L241-W260 HydrophobicContact CD2-CH2 4.02Å; L241-W260 HydrophobicContact CD2-CZ3 4.09Å; L241-W260 HydrophobicContact CG-CZ3 4.38Å; L241-I262 HydrophobicContact CD1-CD1 3.57Å; L241-I262 HydrophobicContact CD1-CG1 3.82Å; L241-I262 HydrophobicContact CD1-CG2 4.06Å; L241-W292 PolarHBondContact N-O 3.5Å; L241-M293 HydrophobicContact CB-CE 3.54Å; L241-M293 HydrophobicContact CB-CG 3.77Å; L241-M293 HydrophobicContact CD1-CE 3.92Å; L241-M293 HydrophobicContact CG-CE 4.39Å; L241-M293 WeakPolarHBondContact O-CG 3.41Å
242	W	95	Very high	90.6	Very high	126 Å²	126	66.5 Å²	66.5	48%	0.477	34%	0.337	S	S	.	.			trans	-146.7	171.8	-179.1	60.1	-81.8	0	0	0	109.2	G244 N245 V246 Q298	W242-G244 VanDerWaalsContact CZ3-N 3.31Å; W242-G244 PolarHBondContact O-N 3.22Å; W242-N245 VanDerWaalsContact CD1-CG 3.46Å; W242-N245 VanDerWaalsContact CD1-OD1 3.29Å; W242-N245 HydrophobicContact CZ2-CB 4.45Å; W242-N245 PolarHBondContact N-OD1 3.13Å; W242-N245 VanDerWaalsContact NE1-CG 3.31Å; W242-N245 PolarHBondContact NE1-ND2 2.83Å; W242-N245 PolarHBondContact O-N 2.8Å; W242-N245 VanDerWaalsContact O-N 3.09Å; W242-N245 PolarHBondContact O-OD1 3Å; W242-V246 WeakPolarHBondContact O-CB 3.4Å; W242-V246 WeakPolarHBondContact O-CG1 3.48Å; W242-V246 PolarHBondContact O-N 3.23Å; W242-Q298 HydrophobicContact CB-CG 4.22Å
243	Q	92.1	Very high	90.5	Very high	99 Å²	99	60.5 Å²	60.5	46%	0.463	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-34.5	-170.2	-171.9	64.3	35.6	0	0	114.5	Q298	Q243-Q298 VanDerWaalsContact N-OE1 3.15Å
244	G	92.6	Very high	90.5	Very high	48 Å²	48	62 Å²	62	50%	0.495	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.2	-175	0	0	0	0	0	116	W242	W242-G244 VanDerWaalsContact CZ3-N 3.31Å; W242-G244 PolarHBondContact O-N 3.22Å
245	N	94.8	Very high	90.6	Very high	29 Å²	29	66.1 Å²	66.1	16%	0.155	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-22.7	178.4	74.1	-10.4	0	0	0	114.5	E240 L241 W242 F247 T248 E249	E240-N245 PolarHBondContact O-ND2 3.43Å; L241-N245 WeakPolarHBondContact CA-OD1 3.47Å; W242-N245 VanDerWaalsContact CD1-CG 3.46Å; W242-N245 VanDerWaalsContact CD1-OD1 3.29Å; W242-N245 HydrophobicContact CZ2-CB 4.45Å; W242-N245 PolarHBondContact N-OD1 3.13Å; W242-N245 VanDerWaalsContact NE1-CG 3.31Å; W242-N245 PolarHBondContact NE1-ND2 2.83Å; W242-N245 PolarHBondContact O-N 2.8Å; W242-N245 VanDerWaalsContact O-N 3.09Å; W242-N245 PolarHBondContact O-OD1 3Å; N245-F247 PolarHBondContact O-N 3.24Å; N245-T248 PolarHBondContact O-N 3.42Å; N245-E249 HydrophobicContact CB-CG 4.23Å; N245-E249 WeakPolarHBondContact O-CB 3.06Å; N245-E249 WeakPolarHBondContact O-CG 3.18Å; N245-E249 PolarHBondContact O-N 3.27Å
246	V	92.1	Very high	90.9	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-54	-49	-168.5	60.8	0	0	0	0	113.2	L241 W242 E249 I250 M293 L301 F305	L241-V246 HydrophobicContact CB-CB 4.43Å; L241-V246 HydrophobicContact CB-CG2 4.41Å; W242-V246 WeakPolarHBondContact O-CB 3.4Å; W242-V246 WeakPolarHBondContact O-CG1 3.48Å; W242-V246 PolarHBondContact O-N 3.23Å; V246-E249 PolarHBondContact O-N 3.47Å; V246-I250 HydrophobicContact CG2-CD1 3.73Å; V246-I250 WeakPolarHBondContact O-CB 3.49Å; V246-I250 VanDerWaalsContact O-CG1 3.24Å; V246-I250 WeakPolarHBondContact O-CG1 3.31Å; V246-I250 PolarHBondContact O-N 3.36Å; V246-M293 HydrophobicContact CB-CE 4.2Å; V246-M293 HydrophobicContact CG2-CE 3.35Å; V246-L301 HydrophobicContact CB-CD2 4.3Å; V246-L301 HydrophobicContact CG1-CD1 3.97Å; V246-L301 HydrophobicContact CG1-CD2 3.96Å; V246-F305 HydrophobicContact CG2-CE2 4.4Å; V246-F305 HydrophobicContact CG2-CZ 4.21Å
247	F	87.9	Confident	91.2	Very high	109 Å²	109	65.1 Å²	65.1	48%	0.478	35%	0.353	S	S	.	.	H	α-helix	trans	-67.4	-45.3	-177.3	-63.5	-71.9	0	0	0	111.6	N245 E249 I250 E251	N245-F247 PolarHBondContact O-N 3.24Å; F247-E249 PolarHBondContact O-N 3.14Å; F247-I250 PolarHBondContact O-N 3.11Å; F247-E251 WeakPolarHBondContact O-CB 3.45Å; F247-E251 VanDerWaalsContact O-CG 3.31Å; F247-E251 WeakPolarHBondContact O-CG 3.34Å; F247-E251 PolarHBondContact O-N 3.28Å
248	T	92.2	Very high	91.4	Very high	80 Å²	80	58 Å²	58	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-42.2	178	-53.5	0	0	0	0	111.9	N245 N252	N245-T248 PolarHBondContact O-N 3.42Å; T248-N252 WeakPolarHBondContact O-CB 3.36Å; T248-N252 PolarHBondContact O-N 3.1Å; T248-N252 PolarHBondContact O-ND2 3Å; T248-N252 VanDerWaalsContact O-ND2 3.14Å
249	E	93.3	Very high	91.4	Very high	68 Å²	68	56.4 Å²	56.4	32%	0.318	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-40.7	177.4	-74.4	-69.4	157	0	0	112.2	L241 N245 V246 F247 A253 W260	L241-E249 HydrophobicContact CD2-CB 4.03Å; L241-E249 HydrophobicContact CD2-CG 4.3Å; N245-E249 HydrophobicContact CB-CG 4.23Å; N245-E249 WeakPolarHBondContact O-CB 3.06Å; N245-E249 WeakPolarHBondContact O-CG 3.18Å; N245-E249 PolarHBondContact O-N 3.27Å; V246-E249 PolarHBondContact O-N 3.47Å; F247-E249 PolarHBondContact O-N 3.14Å; E249-A253 WeakPolarHBondContact O-CB 3.06Å; E249-A253 PolarHBondContact O-N 2.69Å; E249-A253 VanDerWaalsContact O-N 3.11Å; E249-W260 HydrophobicContact CB-CH2 4.24Å; E249-W260 HydrophobicContact CB-CZ2 3.75Å; E249-W260 PolarHBondContact O-NE1 3.36Å; E249-W260 VanDerWaalsContact O-NE1 3.15Å
250	I	89.9	Confident	91.3	Very high	23 Å²	23	55.8 Å²	55.8	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-49.9	176.3	-69.2	173.5	0	0	0	111	V246 F247 N252 A253 F254 W260 I262	V246-I250 HydrophobicContact CG2-CD1 3.73Å; V246-I250 WeakPolarHBondContact O-CB 3.49Å; V246-I250 VanDerWaalsContact O-CG1 3.24Å; V246-I250 WeakPolarHBondContact O-CG1 3.31Å; V246-I250 PolarHBondContact O-N 3.36Å; F247-I250 PolarHBondContact O-N 3.11Å; I250-N252 PolarHBondContact O-N 2.95Å; I250-A253 PolarHBondContact O-N 2.67Å; I250-F254 HydrophobicContact CG2-CD1 4.27Å; I250-F254 HydrophobicContact CG2-CD2 4.08Å; I250-F254 HydrophobicContact CG2-CE1 4.01Å; I250-F254 HydrophobicContact CG2-CE2 3.79Å; I250-F254 HydrophobicContact CG2-CG 4.33Å; I250-F254 HydrophobicContact CG2-CZ 3.76Å; I250-F254 WeakPolarHBondContact O-CB 3.4Å; I250-F254 WeakPolarHBondContact O-CD1 3.44Å; I250-F254 WeakPolarHBondContact O-CG 3.4Å; I250-F254 PolarHBondContact O-N 3.35Å; I250-W260 HydrophobicContact CG1-CG 4.33Å; I250-I262 HydrophobicContact CD1-CD1 4.29Å
251	E	88.9	Confident	91.3	Very high	131 Å²	131	51.6 Å²	51.6	61%	0.612	29%	0.29	S	S	*	.	H	α-helix	trans	-61.7	-41.7	179.3	-73.7	177.8	176.7	0	0	112.4	F247 A253 F254 S255	F247-E251 WeakPolarHBondContact O-CB 3.45Å; F247-E251 VanDerWaalsContact O-CG 3.31Å; F247-E251 WeakPolarHBondContact O-CG 3.34Å; F247-E251 PolarHBondContact O-N 3.28Å; E251-A253 PolarHBondContact O-N 3.33Å; E251-F254 PolarHBondContact O-N 3.26Å; E251-S255 WeakPolarHBondContact O-CB 3.41Å; E251-S255 PolarHBondContact O-N 2.91Å; E251-S255 PolarHBondContact O-OG 2.81Å; E251-S255 VanDerWaalsContact O-OG 3.07Å
252	N	91.2	Very high	91.3	Very high	88 Å²	88	51.6 Å²	51.6	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-39.5	176.4	-74.3	-19.2	0	0	0	112.3	T248 I250 S255 S256	T248-N252 WeakPolarHBondContact O-CB 3.36Å; T248-N252 PolarHBondContact O-N 3.1Å; T248-N252 PolarHBondContact O-ND2 3Å; T248-N252 VanDerWaalsContact O-ND2 3.14Å; I250-N252 PolarHBondContact O-N 2.95Å; N252-S255 PolarHBondContact O-OG 3.37Å; N252-S256 PolarHBondContact O-N 3.05Å; N252-S256 PolarHBondContact O-OG 3.41Å; N252-S256 VanDerWaalsContact O-OG 3.08Å
253	A	90.4	Very high	91.4	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-45.1	175.4	0	0	0	0	0	111.3	E249 I250 E251 S255 S256 G257 L258 K289	E249-A253 WeakPolarHBondContact O-CB 3.06Å; E249-A253 PolarHBondContact O-N 2.69Å; E249-A253 VanDerWaalsContact O-N 3.11Å; I250-A253 PolarHBondContact O-N 2.67Å; E251-A253 PolarHBondContact O-N 3.33Å; A253-S255 PolarHBondContact O-N 3.44Å; A253-S256 CarbonylContact O-C 3.55Å; A253-S256 WeakPolarHBondContact O-CA 3.42Å; A253-S256 WeakPolarHBondContact O-CB 3.32Å; A253-S256 PolarHBondContact O-N 2.74Å; A253-G257 PolarHBondContact O-N 3.04Å; A253-L258 CarbonylContact C-O 3.56Å; A253-L258 VanDerWaalsContact C-O 3.23Å; A253-L258 HydrophobicContact CB-CB 4.27Å; A253-L258 PolarHBondContact O-N 3.23Å; A253-K289 HydrophobicContact CB-CG 4.19Å
254	F	90.3	Very high	91.5	Very high	40 Å²	40	41 Å²	41	18%	0.175	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-40.7	-177.8	-76.3	11.6	0	0	0	112.1	I250 E251 S256 G257 L258 F315 P316 G318 S319	I250-F254 HydrophobicContact CG2-CD1 4.27Å; I250-F254 HydrophobicContact CG2-CD2 4.08Å; I250-F254 HydrophobicContact CG2-CE1 4.01Å; I250-F254 HydrophobicContact CG2-CE2 3.79Å; I250-F254 HydrophobicContact CG2-CG 4.33Å; I250-F254 HydrophobicContact CG2-CZ 3.76Å; I250-F254 WeakPolarHBondContact O-CB 3.4Å; I250-F254 WeakPolarHBondContact O-CD1 3.44Å; I250-F254 WeakPolarHBondContact O-CG 3.4Å; I250-F254 PolarHBondContact O-N 3.35Å; E251-F254 PolarHBondContact O-N 3.26Å; F254-S256 PolarHBondContact O-N 3.49Å; F254-G257 WeakPolarHBondContact O-CA 3.37Å; F254-G257 PolarHBondContact O-N 3.42Å; F254-L258 VanDerWaalsContact CD1-O 3.3Å; F254-L258 WeakPolarHBondContact CD1-O 3.33Å; F254-F315 HydrophobicContact CZ-CB 4.37Å; F254-P316 WeakPolarHBondContact CZ-O 3.46Å; F254-G318 VanDerWaalsContact CE2-N 3.35Å; F254-S319 WeakPolarHBondContact CZ-OG 3.28Å
255	S	88.1	Confident	91.6	Very high	96 Å²	96	39.4 Å²	39.4	67%	0.671	23%	0.228	S	C	*	.	H	α-helix	trans	-62.5	-24.7	173.3	59.8	0	0	0	0	113.1	E251 N252 A253 G257	E251-S255 WeakPolarHBondContact O-CB 3.41Å; E251-S255 PolarHBondContact O-N 2.91Å; E251-S255 PolarHBondContact O-OG 2.81Å; E251-S255 VanDerWaalsContact O-OG 3.07Å; N252-S255 PolarHBondContact O-OG 3.37Å; A253-S255 PolarHBondContact O-N 3.44Å; S255-G257 VanDerWaalsContact C-N 3.34Å
256	S	85.7	Confident	91.5	Very high	69 Å²	69	39.7 Å²	39.7	48%	0.483	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	6.5	172.9	-56.8	0	0	0	0	113.4	N252 A253 F254 L258	N252-S256 PolarHBondContact O-N 3.05Å; N252-S256 PolarHBondContact O-OG 3.41Å; N252-S256 VanDerWaalsContact O-OG 3.08Å; A253-S256 CarbonylContact O-C 3.55Å; A253-S256 WeakPolarHBondContact O-CA 3.42Å; A253-S256 WeakPolarHBondContact O-CB 3.32Å; A253-S256 PolarHBondContact O-N 2.74Å; F254-S256 PolarHBondContact O-N 3.49Å; S256-L258 VanDerWaalsContact C-N 3.28Å; S256-L258 PolarHBondContact O-N 2.81Å
257	G	86.2	Confident	91.2	Very high	50 Å²	50	46.6 Å²	46.6	52%	0.515	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	17.6	-178	0	0	0	0	0	114.8	A253 F254 S255 P317	A253-G257 PolarHBondContact O-N 3.04Å; F254-G257 WeakPolarHBondContact O-CA 3.37Å; F254-G257 PolarHBondContact O-N 3.42Å; S255-G257 VanDerWaalsContact C-N 3.34Å; G257-P317 WeakPolarHBondContact O-CG 3.19Å
258	L	88.8	Confident	91	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	27%	0.27	C	S	.	.			trans	-102.5	136.1	-180	-62.3	178.6	0	0	0	111	A253 F254 S256 G286 L287	A253-L258 CarbonylContact C-O 3.56Å; A253-L258 VanDerWaalsContact C-O 3.23Å; A253-L258 HydrophobicContact CB-CB 4.27Å; A253-L258 PolarHBondContact O-N 3.23Å; F254-L258 VanDerWaalsContact CD1-O 3.3Å; F254-L258 WeakPolarHBondContact CD1-O 3.33Å; S256-L258 VanDerWaalsContact C-N 3.28Å; S256-L258 PolarHBondContact O-N 2.81Å; L258-G286 VanDerWaalsContact CD2-O 3.26Å; L258-G286 WeakPolarHBondContact CD2-O 3.38Å; L258-L287 WeakPolarHBondContact CD2-O 3.29Å
259	G	92.1	Very high	90.5	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	179.8	171.6	0	0	0	0	0	113	K289 F315	G259-K289 PolarHBondContact O-N 2.69Å; G259-F315 CarbonylContact C-O 3.4Å; G259-F315 WeakPolarHBondContact CA-O 3.43Å
260	W	94.3	Very high	90.1	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.1	174.2	-83.1	88.7	0	0	0	112.1	T239 L241 E249 I250 I262 K289 L314 F315	T239-W260 HydrophobicContact CG2-CH2 4.28Å; L241-W260 HydrophobicContact CD1-CE3 4.09Å; L241-W260 HydrophobicContact CD1-CZ3 4.09Å; L241-W260 HydrophobicContact CD2-CH2 4.02Å; L241-W260 HydrophobicContact CD2-CZ3 4.09Å; L241-W260 HydrophobicContact CG-CZ3 4.38Å; E249-W260 HydrophobicContact CB-CH2 4.24Å; E249-W260 HydrophobicContact CB-CZ2 3.75Å; E249-W260 PolarHBondContact O-NE1 3.36Å; E249-W260 VanDerWaalsContact O-NE1 3.15Å; I250-W260 HydrophobicContact CG1-CG 4.33Å; W260-I262 HydrophobicContact CB-CD1 4.07Å; W260-I262 HydrophobicContact CB-CG1 3.92Å; W260-I262 HydrophobicContact CE3-CG1 4.29Å; W260-K289 CarbonylContact C-O 3.55Å; W260-K289 WeakPolarHBondContact CA-O 3.34Å; W260-K289 HydrophobicContact CD2-CB 3.54Å; W260-K289 HydrophobicContact CD2-CG 4.48Å; W260-K289 HydrophobicContact CE3-CB 3.64Å; W260-K289 HydrophobicContact CG-CB 4.15Å; W260-K289 HydrophobicContact CH2-CB 3.89Å; W260-K289 HydrophobicContact CZ2-CB 3.77Å; W260-K289 HydrophobicContact CZ2-CG 4.08Å; W260-K289 HydrophobicContact CZ3-CB 3.82Å; W260-L314 CarbonylContact O-C 3.56Å; W260-L314 WeakPolarHBondContact O-CA 3.26Å; W260-F315 HydrophobicContact CB-CB 4.19Å; W260-F315 PolarHBondContact N-O 3.38Å; W260-F315 PolarHBondContact O-N 3.34Å
261	L	96	Very high	90.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.7	163.8	178.3	70.6	0	0	0	107.2	L280 L284 V288 K289 V290 G291 T312 A313 L314 L330 I338 V342	L261-L280 HydrophobicContact CD2-CB 4.47Å; L261-L280 HydrophobicContact CD2-CD1 4.12Å; L261-L284 HydrophobicContact CD2-CD1 3.87Å; L261-V288 HydrophobicContact CB-CG1 3.87Å; L261-K289 PolarHBondContact N-O 2.85Å; L261-V290 HydrophobicContact CB-CG2 4.41Å; L261-V290 HydrophobicContact CD2-CG2 4.34Å; L261-V290 WeakPolarHBondContact O-CA 3.28Å; L261-G291 PolarHBondContact O-N 2.9Å; L261-T312 HydrophobicContact CD1-CG2 3.81Å; L261-T312 HydrophobicContact CG-CG2 4.38Å; L261-A313 WeakPolarHBondContact CA-O 3.46Å; L261-L314 HydrophobicContact CD1-CB 4.39Å; L261-L330 HydrophobicContact CD1-CD1 3.74Å; L261-I338 HydrophobicContact CD1-CG2 4.28Å; L261-I338 HydrophobicContact CD2-CG2 3.76Å; L261-V342 HydrophobicContact CD1-CG2 4.34Å
262	I	95.7	Very high	90.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.3	-174.9	-52.7	175.5	0	0	0	108.7	L241 I250 W260 F264 G291 M293 T312 A313 F315	L241-I262 HydrophobicContact CD1-CD1 3.57Å; L241-I262 HydrophobicContact CD1-CG1 3.82Å; L241-I262 HydrophobicContact CD1-CG2 4.06Å; I250-I262 HydrophobicContact CD1-CD1 4.29Å; W260-I262 HydrophobicContact CB-CD1 4.07Å; W260-I262 HydrophobicContact CB-CG1 3.92Å; W260-I262 HydrophobicContact CE3-CG1 4.29Å; I262-F264 HydrophobicContact CB-CE2 4.19Å; I262-F264 HydrophobicContact CB-CZ 4.35Å; I262-F264 HydrophobicContact CG2-CD2 4.38Å; I262-F264 HydrophobicContact CG2-CE1 4.24Å; I262-F264 HydrophobicContact CG2-CE2 3.95Å; I262-F264 HydrophobicContact CG2-CZ 3.87Å; I262-G291 WeakPolarHBondContact CA-O 3.28Å; I262-M293 HydrophobicContact CG2-CE 4.46Å; I262-M293 HydrophobicContact CG2-CG 4.22Å; I262-T312 WeakPolarHBondContact O-CA 3.09Å; I262-A313 PolarHBondContact N-O 2.82Å; I262-A313 PolarHBondContact O-N 3.34Å; I262-F315 HydrophobicContact CB-CD2 4.31Å; I262-F315 HydrophobicContact CB-CE2 3.9Å; I262-F315 HydrophobicContact CD1-CD2 3.83Å; I262-F315 HydrophobicContact CD1-CE2 3.78Å; I262-F315 HydrophobicContact CD1-CG 4.5Å; I262-F315 HydrophobicContact CD1-CZ 4.39Å; I262-F315 HydrophobicContact CG1-CD2 3.98Å; I262-F315 HydrophobicContact CG1-CE2 3.99Å
263	T	96.6	Very high	90.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.7	168	-163.5	0	0	0	0	110	L272 R277 G291 W292 M293 A311 T312	T263-L272 HydrophobicContact CG2-CB 4.09Å; T263-L272 HydrophobicContact CG2-CD1 4.46Å; T263-L272 HydrophobicContact CG2-CG 4.44Å; T263-L272 PolarHBondContact OG1-N 3.12Å; T263-R277 HydrophobicContact CG2-CG 4.12Å; T263-G291 PolarHBondContact N-O 3.01Å; T263-G291 VanDerWaalsContact N-O 3.11Å; T263-W292 HydrophobicContact CG2-CB 3.51Å; T263-W292 CarbonylContact O-C 3.58Å; T263-W292 WeakPolarHBondContact O-CA 3.34Å; T263-M293 PolarHBondContact O-N 3.45Å; T263-A311 CarbonylContact C-O 3.12Å; T263-A311 WeakPolarHBondContact CA-O 3.46Å; T263-T312 PolarHBondContact OG1-OG1 3.44Å
264	F	95.4	Very high	90.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.2	178.8	-59.9	-94.4	0	0	0	107.4	I262 M293 F305 V307 G310 A311 F315 W329	I262-F264 HydrophobicContact CB-CE2 4.19Å; I262-F264 HydrophobicContact CB-CZ 4.35Å; I262-F264 HydrophobicContact CG2-CD2 4.38Å; I262-F264 HydrophobicContact CG2-CE1 4.24Å; I262-F264 HydrophobicContact CG2-CE2 3.95Å; I262-F264 HydrophobicContact CG2-CZ 3.87Å; F264-M293 HydrophobicContact CD1-CB 4.08Å; F264-M293 HydrophobicContact CD1-CG 4.34Å; F264-M293 HydrophobicContact CD1-SD 3.81Å; F264-M293 HydrophobicContact CE1-CE 4.38Å; F264-M293 HydrophobicContact CE1-CG 4.37Å; F264-M293 HydrophobicContact CE1-SD 3.43Å; F264-M293 WeakPolarHBondContact CE1-SD 3.27Å; F264-M293 HydrophobicContact CZ-SD 4.41Å; F264-F305 HydrophobicContact CE1-CB 4.02Å; F264-F305 HydrophobicContact CE1-CD1 4.42Å; F264-F305 HydrophobicContact CE1-CD2 4.08Å; F264-F305 AromaticContact CE1-CG 3.93Å; F264-F305 HydrophobicContact CE1-CG 3.93Å; F264-F305 HydrophobicContact CZ-CB 4.19Å; F264-F305 HydrophobicContact CZ-CD1 4.09Å; F264-F305 HydrophobicContact CZ-CG 4.04Å; F264-V307 HydrophobicContact CB-CG1 3.74Å; F264-V307 HydrophobicContact CD1-CB 4.38Å; F264-V307 HydrophobicContact CD1-CG1 4.37Å; F264-V307 HydrophobicContact CD1-CG2 4.1Å; F264-V307 HydrophobicContact CD2-CG2 4.11Å; F264-V307 HydrophobicContact CE1-CG2 4.21Å; F264-V307 HydrophobicContact CE2-CG2 4.24Å; F264-V307 HydrophobicContact CG-CB 4.4Å; F264-V307 HydrophobicContact CG-CG1 3.99Å; F264-V307 HydrophobicContact CG-CG2 4.05Å; F264-V307 HydrophobicContact CZ-CG2 4.29Å; F264-G310 WeakPolarHBondContact O-CA 3.47Å; F264-A311 PolarHBondContact N-O 2.78Å; F264-A311 PolarHBondContact O-N 3.48Å; F264-A311 VanDerWaalsContact O-N 3.16Å; F264-F315 HydrophobicContact CE2-CE2 4.24Å; F264-F315 HydrophobicContact CE2-CZ 4.23Å; F264-F315 HydrophobicContact CZ-CE2 4.33Å; F264-F315 HydrophobicContact CZ-CZ 4.03Å; F264-W329 HydrophobicContact CD2-CZ3 4.28Å; F264-W329 HydrophobicContact CE2-CH2 4.17Å; F264-W329 HydrophobicContact CE2-CZ3 4.1Å
265	C	94.3	Very high	90.3	Very high	16 Å²	16	50.5 Å²	50.5	11%	0.108	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.8	177.8	-67.8	0	0	0	0	109.3	C271 M293 C295 P296	C265-C271 VanDerWaalsContact CA-SG 3.57Å; C265-C271 HydrophobicContact CB-CB 3.88Å; C265-C271 WeakPolarHBondContact CB-SG 3.28Å; C265-C271 WeakPolarHBondContact SG-CB 3.49Å; C265-C271 CovalentContact SG-SG 2.05Å; C265-C271 PolarHBondContact SG-SG 3.29Å; C265-M293 PolarHBondContact N-O 2.94Å; C265-C295 VanDerWaalsContact O-CB 3.28Å; C265-C295 WeakPolarHBondContact O-CB 3.4Å; C265-C295 PolarHBondContact O-N 2.82Å; C265-P296 WeakPolarHBondContact O-CD 3.4Å
266	S	91.3	Very high	90.4	Very high	35 Å²	35	47.2 Å²	47.2	25%	0.245	29%	0.285	C	S	.	.			trans	-129	164	178.6	-178.5	0	0	0	0	109.3	T268	S266-T268 PolarHBondContact O-N 3.14Å
267	D	87.5	Confident	90.7	Very high	144 Å²	144	45 Å²	45	77%	0.77	27%	0.266	S	S	*	.	S	Bend	trans	-65.4	-20.2	174.2	-64.4	-30.2	0	0	0	112.1	P296	D267-P296 WeakPolarHBondContact OD1-CG 3.07Å
268	T	83	Confident	90.9	Very high	84 Å²	84	45.8 Å²	45.8	52%	0.515	26%	0.257	S	S	.	.	S	Bend	trans	-118.5	128.5	177	60.6	0	0	0	0	110.9	S266 S309 G310	S266-T268 PolarHBondContact O-N 3.14Å; T268-S309 CarbonylContact O-C 3.59Å; T268-S309 VanDerWaalsContact O-CA 3.31Å; T268-S309 WeakPolarHBondContact O-CA 3.47Å; T268-S309 WeakPolarHBondContact O-CB 3.26Å; T268-G310 PolarHBondContact O-N 3.38Å
269	G	81.5	Confident	91	Very high	49 Å²	49	45.9 Å²	45.9	51%	0.505	26%	0.256	S	S	.	.	S	Bend	trans	90	156.2	-178.1	0	0	0	0	0	113
270	D	84.4	Confident	91	Very high	127 Å²	127	45.8 Å²	45.8	68%	0.679	26%	0.255	S	S	*	.			trans	-87.4	140.7	-175.5	-62.4	-39.9	0	0	0	111.6	L333	D270-L333 HydrophobicContact CB-CD1 3.48Å; D270-L333 VanDerWaalsContact CB-CD1 3.48Å
271	C	90.9	Very high	90.8	Very high	38 Å²	38	45.9 Å²	45.9	26%	0.257	26%	0.256	S	S	.	.			trans	-125.1	172.4	172.6	77	0	0	0	0	111.3	C265 E273	C265-C271 VanDerWaalsContact CA-SG 3.57Å; C265-C271 HydrophobicContact CB-CB 3.88Å; C265-C271 WeakPolarHBondContact CB-SG 3.28Å; C265-C271 WeakPolarHBondContact SG-CB 3.49Å; C265-C271 CovalentContact SG-SG 2.05Å; C265-C271 PolarHBondContact SG-SG 3.29Å; C271-E273 PolarHBondContact O-N 2.87Å
272	L	93.7	Very high	90.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	27%	0.265	C	S	.	.			trans	-72.4	127.6	-177.4	-56.9	175.4	0	0	0	112.1	T263 T276 R277 L280 T312 L333 I338	T263-L272 HydrophobicContact CG2-CB 4.09Å; T263-L272 HydrophobicContact CG2-CD1 4.46Å; T263-L272 HydrophobicContact CG2-CG 4.44Å; T263-L272 PolarHBondContact OG1-N 3.12Å; L272-T276 HydrophobicContact CD2-CG2 4.14Å; L272-R277 HydrophobicContact CB-CG 3.77Å; L272-R277 PolarHBondContact O-NE 3.27Å; L272-R277 PolarHBondContact O-NH2 2.99Å; L272-L280 HydrophobicContact CD1-CD1 3.66Å; L272-T312 HydrophobicContact CD1-CG2 3.97Å; L272-L333 HydrophobicContact CD2-CB 4.16Å; L272-L333 HydrophobicContact CD2-CD2 3.83Å; L272-I338 HydrophobicContact CD1-CD1 4.11Å; L272-I338 HydrophobicContact CD2-CD1 3.56Å; L272-I338 HydrophobicContact CG-CD1 4.47Å
273	E	92.8	Very high	90	Very high	135 Å²	135	47 Å²	47	63%	0.631	27%	0.266	S	S	*	.			trans	-59.4	153.5	173.6	-67.7	-171.5	174.5	0	0	112.3	C271 R275 T276 R277	C271-E273 PolarHBondContact O-N 2.87Å; E273-R275 VanDerWaalsContact C-N 3.26Å; E273-R275 PolarHBondContact O-N 2.92Å; E273-T276 PolarHBondContact O-N 3.22Å; E273-T276 VanDerWaalsContact O-N 3.08Å; E273-R277 PolarHBondContact O-N 3.31Å; E273-R277 PolarHBondContact O-NE 2.89Å
274	P	90.8	Very high	89.7	Confident	89 Å²	89	46.9 Å²	46.9	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-52.3	-41.3	-179.7	-25.4	31.6	0	0	0	113.9	R277 Q278	P274-R277 PolarHBondContact O-N 2.76Å; P274-Q278 PolarHBondContact O-N 2.95Å
275	R	86.8	Confident	89.2	Confident	101 Å²	101	51.2 Å²	51.2	38%	0.381	29%	0.289	S	S	.	.	H	α-helix	trans	-68.5	-40.6	179.8	-175	172.5	168.4	-175.1	-14.2	111.7	E175 M231 E273 Q278 K279	E175-R275 IonicContact OE1-CZ 2.82Å; E175-R275 IonicContact OE1-NH2 2.65Å; E175-R275 PolarHBondContact OE1-NH2 3.39Å; M231-R275 HydrophobicContact CE-CG 4.42Å; E273-R275 VanDerWaalsContact C-N 3.26Å; E273-R275 PolarHBondContact O-N 2.92Å; R275-Q278 PolarHBondContact O-N 3.21Å; R275-K279 WeakPolarHBondContact O-CG 3.49Å; R275-K279 PolarHBondContact O-N 3.33Å
276	T	90.3	Very high	88.7	Confident	27 Å²	27	51.6 Å²	51.6	17%	0.166	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-42.7	176.3	-52.9	0	0	0	0	111.1	L272 E273 Q278 K279 L280	L272-T276 HydrophobicContact CD2-CG2 4.14Å; E273-T276 PolarHBondContact O-N 3.22Å; E273-T276 VanDerWaalsContact O-N 3.08Å; T276-Q278 VanDerWaalsContact C-N 3.34Å; T276-Q278 PolarHBondContact O-N 3.14Å; T276-K279 PolarHBondContact O-N 3.15Å; T276-L280 HydrophobicContact CG2-CD1 4.18Å; T276-L280 WeakPolarHBondContact O-CB 3.4Å; T276-L280 WeakPolarHBondContact O-CG 3.41Å; T276-L280 PolarHBondContact O-N 3.25Å
277	R	93.1	Very high	88.6	Confident	24 Å²	24	50.8 Å²	50.8	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-45.5	172.9	-71.8	177.2	-91.6	168.6	-10.8	111.9	V238 T263 L272 E273 P274 L280 A281 W292	V238-R277 HydrophobicContact CG1-CB 4.02Å; V238-R277 HydrophobicContact CG2-CB 4.05Å; T263-R277 HydrophobicContact CG2-CG 4.12Å; L272-R277 HydrophobicContact CB-CG 3.77Å; L272-R277 PolarHBondContact O-NE 3.27Å; L272-R277 PolarHBondContact O-NH2 2.99Å; E273-R277 PolarHBondContact O-N 3.31Å; E273-R277 PolarHBondContact O-NE 2.89Å; P274-R277 PolarHBondContact O-N 2.76Å; R277-L280 PolarHBondContact O-N 2.99Å; R277-A281 WeakPolarHBondContact O-CB 3.34Å; R277-A281 PolarHBondContact O-N 3.06Å; R277-W292 VanDerWaalsContact NH1-CD1 3.29Å; R277-W292 VanDerWaalsContact NH1-CE2 3.31Å
278	Q	90.6	Very high	88.8	Confident	66 Å²	66	44.3 Å²	44.3	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-39.4	179.1	-168.1	179.6	6.4	0	0	112.3	M231 I234 V238 P274 R275 T276 A281 G282	M231-Q278 HydrophobicContact CE-CB 3.8Å; M231-Q278 HydrophobicContact CE-CG 3.6Å; M231-Q278 VanDerWaalsContact CE-OE1 3.27Å; I234-Q278 HydrophobicContact CG2-CG 4.36Å; V238-Q278 HydrophobicContact CG2-CB 4.46Å; P274-Q278 PolarHBondContact O-N 2.95Å; R275-Q278 PolarHBondContact O-N 3.21Å; T276-Q278 VanDerWaalsContact C-N 3.34Å; T276-Q278 PolarHBondContact O-N 3.14Å; Q278-A281 PolarHBondContact O-N 3.25Å; Q278-G282 PolarHBondContact O-N 2.86Å; Q278-G282 VanDerWaalsContact O-N 3.09Å
279	K	89.4	Confident	89.3	Confident	17 Å²	17	45 Å²	45	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-58.2	-52.5	172.1	-75.7	-172.5	-178.2	-170	0	110.9	E175 V179 M231 R275 T276 A281 G282 M283	E175-K279 PolarHBondContact O-NZ 3.05Å; E175-K279 IonicContact OE1-NZ 3.84Å; E175-K279 PolarHBondContact OE1-NZ 2.98Å; E175-K279 IonicContact OE2-NZ 2.64Å; V179-K279 HydrophobicContact CG2-CB 3.8Å; V179-K279 HydrophobicContact CG2-CD 4.11Å; V179-K279 HydrophobicContact CG2-CG 3.89Å; M231-K279 HydrophobicContact CE-CG 4.42Å; M231-K279 HydrophobicContact SD-CG 4.25Å; R275-K279 WeakPolarHBondContact O-CG 3.49Å; R275-K279 PolarHBondContact O-N 3.33Å; T276-K279 PolarHBondContact O-N 3.15Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.37Å; K279-G282 WeakPolarHBondContact O-CA 3.45Å; K279-G282 PolarHBondContact O-N 2.93Å; K279-M283 VanDerWaalsContact O-CG 3.27Å; K279-M283 WeakPolarHBondContact O-CG 3.36Å; K279-M283 PolarHBondContact O-N 2.03Å
280	L	92	Very high	90	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-40	178.2	-76.6	166.1	0	0	0	112.2	L261 L272 T276 R277 G282 M283 L284 V290 S335 I338	L261-L280 HydrophobicContact CD2-CB 4.47Å; L261-L280 HydrophobicContact CD2-CD1 4.12Å; L272-L280 HydrophobicContact CD1-CD1 3.66Å; T276-L280 HydrophobicContact CG2-CD1 4.18Å; T276-L280 WeakPolarHBondContact O-CB 3.4Å; T276-L280 WeakPolarHBondContact O-CG 3.41Å; T276-L280 PolarHBondContact O-N 3.25Å; R277-L280 PolarHBondContact O-N 2.99Å; L280-G282 VanDerWaalsContact C-N 3.26Å; L280-G282 PolarHBondContact O-N 2.92Å; L280-M283 HydrophobicContact CD2-SD 4.27Å; L280-M283 PolarHBondContact O-N 3.32Å; L280-L284 HydrophobicContact CD2-CD1 4.47Å; L280-L284 VanDerWaalsContact O-CB 3.31Å; L280-L284 WeakPolarHBondContact O-CB 3.21Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.49Å; L280-V290 HydrophobicContact CB-CG2 4.42Å; L280-S335 WeakPolarHBondContact CD2-O 3.24Å; L280-I338 HydrophobicContact CD1-CB 4.48Å; L280-I338 HydrophobicContact CD1-CD1 3.99Å; L280-I338 HydrophobicContact CD1-CG2 4Å; L280-I338 HydrophobicContact CD2-CB 4.02Å; L280-I338 HydrophobicContact CD2-CG2 3.64Å; L280-I338 HydrophobicContact CG-CG2 4.49Å
281	A	91.1	Very high	90.5	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-34.6	175.1	0	0	0	0	0	112.4	T236 V238 R277 Q278 K279 D285 V290	T236-A281 WeakPolarHBondContact CB-O 3.34Å; T236-A281 WeakPolarHBondContact CG2-O 3.21Å; T236-A281 PolarHBondContact OG1-O 2.9Å; T236-A281 VanDerWaalsContact OG1-O 3.08Å; V238-A281 HydrophobicContact CG2-CB 3.8Å; R277-A281 WeakPolarHBondContact O-CB 3.34Å; R277-A281 PolarHBondContact O-N 3.06Å; Q278-A281 PolarHBondContact O-N 3.25Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.37Å; A281-D285 PolarHBondContact O-N 2.89Å; A281-V290 HydrophobicContact CB-CB 3.96Å; A281-V290 HydrophobicContact CB-CG2 4.09Å
282	G	88.2	Confident	90.8	Very high	18 Å²	18	37.4 Å²	37.4	19%	0.186	19%	0.192	C	C	.	.	H	α-helix	trans	-71.2	-48.3	171.1	0	0	0	0	0	112.9	T236 Q278 K279 L280 L284 D285	T236-G282 WeakPolarHBondContact OG1-CA 3.46Å; T236-G282 PolarHBondContact OG1-N 3.18Å; Q278-G282 PolarHBondContact O-N 2.86Å; Q278-G282 VanDerWaalsContact O-N 3.09Å; K279-G282 WeakPolarHBondContact O-CA 3.45Å; K279-G282 PolarHBondContact O-N 2.93Å; L280-G282 VanDerWaalsContact C-N 3.26Å; L280-G282 PolarHBondContact O-N 2.92Å; G282-L284 PolarHBondContact O-N 3.27Å; G282-D285 WeakPolarHBondContact O-CB 3.39Å; G282-D285 PolarHBondContact O-N 3.42Å
283	M	87.1	Confident	90.9	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-33.7	-177.8	-62.8	172	82	0	0	113.2	G178 V179 K279 L280 Y339	G178-M283 WeakPolarHBondContact O-CG 3.26Å; V179-M283 HydrophobicContact CB-CG 4.21Å; V179-M283 HydrophobicContact CG2-CG 3.7Å; V179-M283 HydrophobicContact CG2-SD 3.97Å; K279-M283 VanDerWaalsContact O-CG 3.27Å; K279-M283 WeakPolarHBondContact O-CG 3.36Å; K279-M283 PolarHBondContact O-N 2.03Å; L280-M283 HydrophobicContact CD2-SD 4.27Å; L280-M283 PolarHBondContact O-N 3.32Å; M283-Y339 HydrophobicContact CB-CD2 3.8Å; M283-Y339 HydrophobicContact CB-CE2 4.34Å; M283-Y339 HydrophobicContact CE-CD1 4.09Å; M283-Y339 HydrophobicContact CE-CD2 3.98Å; M283-Y339 HydrophobicContact CE-CG 3.59Å
284	L	89.1	Confident	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	14.8	-176	-60.5	172.7	0	0	0	112.8	L261 L280 G282 G286 L287 V288 V290 Y339 V342	L261-L284 HydrophobicContact CD2-CD1 3.87Å; L280-L284 HydrophobicContact CD2-CD1 4.47Å; L280-L284 VanDerWaalsContact O-CB 3.31Å; L280-L284 WeakPolarHBondContact O-CB 3.21Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.49Å; G282-L284 PolarHBondContact O-N 3.27Å; L284-G286 PolarHBondContact O-N 3.4Å; L284-L287 WeakPolarHBondContact O-CB 3.34Å; L284-L287 PolarHBondContact O-N 2.92Å; L284-V288 HydrophobicContact CB-CB 4.34Å; L284-V288 HydrophobicContact CD1-CB 4.47Å; L284-V288 PolarHBondContact O-N 2.79Å; L284-V290 HydrophobicContact CD1-CG2 4.37Å; L284-Y339 HydrophobicContact CD2-CD2 3.7Å; L284-Y339 HydrophobicContact CD2-CE2 4.2Å; L284-Y339 HydrophobicContact CG-CD2 4.37Å; L284-V342 HydrophobicContact CD1-CB 4.42Å; L284-V342 HydrophobicContact CD1-CG1 4.15Å; L284-V342 HydrophobicContact CD1-CG2 4.23Å; L284-V342 HydrophobicContact CD2-CB 4.08Å; L284-V342 HydrophobicContact CD2-CG1 3.66Å
285	D	86.3	Confident	91.1	Very high	91 Å²	91	29.1 Å²	29.1	49%	0.487	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	134.5	-179.7	-169.3	18.6	0	0	0	111.4	T236 A281 G282 L287	T236-D285 HydrophobicContact CG2-CB 3.64Å; T236-D285 WeakPolarHBondContact CG2-OD1 3.35Å; A281-D285 PolarHBondContact O-N 2.89Å; G282-D285 WeakPolarHBondContact O-CB 3.39Å; G282-D285 PolarHBondContact O-N 3.42Å; D285-L287 PolarHBondContact O-N 3.43Å
286	G	83.9	Confident	91.4	Very high	25 Å²	25	27.2 Å²	27.2	26%	0.258	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-2.9	-175.4	0	0	0	0	0	116.2	L258 L284 A386	L258-G286 VanDerWaalsContact CD2-O 3.26Å; L258-G286 WeakPolarHBondContact CD2-O 3.38Å; L284-G286 PolarHBondContact O-N 3.4Å; G286-A386 WeakPolarHBondContact O-CB 3.44Å
287	L	87.6	Confident	91.6	Very high	18 Å²	18	30.1 Å²	30.1	9%	0.094	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-51.3	177.6	-67.3	179.2	0	0	0	112.9	L258 L284 D285 I343 L346 K383 A386	L258-L287 WeakPolarHBondContact CD2-O 3.29Å; L284-L287 WeakPolarHBondContact O-CB 3.34Å; L284-L287 PolarHBondContact O-N 2.92Å; D285-L287 PolarHBondContact O-N 3.43Å; L287-I343 HydrophobicContact CD1-CD1 3.58Å; L287-L346 HydrophobicContact CB-CD1 4.15Å; L287-L346 HydrophobicContact CD1-CD1 3.86Å; L287-L346 HydrophobicContact CD2-CD1 4.01Å; L287-L346 HydrophobicContact CG-CD1 4.25Å; L287-K383 HydrophobicContact CD1-CG 3.62Å; L287-A386 HydrophobicContact CD2-CB 3.9Å; L287-A386 HydrophobicContact CG-CB 4.24Å
288	V	91.5	Very high	91.6	Very high	7 Å²	7	31 Å²	31	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.1	-175.7	179.3	0	0	0	0	108.8	L261 L284 L314 V342 L346	L261-V288 HydrophobicContact CB-CG1 3.87Å; L284-V288 HydrophobicContact CB-CB 4.34Å; L284-V288 HydrophobicContact CD1-CB 4.47Å; L284-V288 PolarHBondContact O-N 2.79Å; V288-L314 HydrophobicContact CG1-CD1 3.78Å; V288-L314 HydrophobicContact CG2-CD1 4.19Å; V288-V342 HydrophobicContact CB-CG1 4.46Å; V288-V342 HydrophobicContact CG2-CG1 3.69Å; V288-L346 HydrophobicContact CG2-CD2 3.9Å
289	K	93.9	Very high	91.5	Very high	99 Å²	99	34.1 Å²	34.1	43%	0.43	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.4	172.8	-66.1	-61.6	-172.3	-178.5	0	109.9	A253 G259 W260 L261	A253-K289 HydrophobicContact CB-CG 4.19Å; G259-K289 PolarHBondContact O-N 2.69Å; W260-K289 CarbonylContact C-O 3.55Å; W260-K289 WeakPolarHBondContact CA-O 3.34Å; W260-K289 HydrophobicContact CD2-CB 3.54Å; W260-K289 HydrophobicContact CD2-CG 4.48Å; W260-K289 HydrophobicContact CE3-CB 3.64Å; W260-K289 HydrophobicContact CG-CB 4.15Å; W260-K289 HydrophobicContact CH2-CB 3.89Å; W260-K289 HydrophobicContact CZ2-CB 3.77Å; W260-K289 HydrophobicContact CZ2-CG 4.08Å; W260-K289 HydrophobicContact CZ3-CB 3.82Å; L261-K289 PolarHBondContact N-O 2.85Å
290	V	95.9	Very high	91.5	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.1	178.1	-178.2	0	0	0	0	109.5	V238 T239 L261 L280 A281 L284	V238-V290 WeakPolarHBondContact CA-O 3.26Å; T239-V290 PolarHBondContact N-O 2.74Å; T239-V290 VanDerWaalsContact N-O 3.11Å; L261-V290 HydrophobicContact CB-CG2 4.41Å; L261-V290 HydrophobicContact CD2-CG2 4.34Å; L261-V290 WeakPolarHBondContact O-CA 3.28Å; L280-V290 HydrophobicContact CB-CG2 4.42Å; A281-V290 HydrophobicContact CB-CB 3.96Å; A281-V290 HydrophobicContact CB-CG2 4.09Å; L284-V290 HydrophobicContact CD1-CG2 4.37Å
291	G	96.4	Very high	91.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	171.6	-179.9	0	0	0	0	0	113.2	T239 L261 I262 T263	T239-G291 CarbonylContact O-C 3.47Å; T239-G291 WeakPolarHBondContact O-CA 3.32Å; L261-G291 PolarHBondContact O-N 2.9Å; I262-G291 WeakPolarHBondContact CA-O 3.28Å; T263-G291 PolarHBondContact N-O 3.01Å; T263-G291 VanDerWaalsContact N-O 3.11Å
292	W	96.5	Very high	91.5	Very high	51 Å²	51	41.2 Å²	41.2	19%	0.193	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	155.9	174.8	73.3	-72.6	0	0	0	111.7	T239 E240 L241 T263 R277 D294	T239-W292 PolarHBondContact O-N 3.34Å; E240-W292 WeakPolarHBondContact CA-O 3.07Å; E240-W292 HydrophobicContact CB-CZ2 4.02Å; E240-W292 VanDerWaalsContact CD-CZ2 3.48Å; E240-W292 HydrophobicContact CG-CD2 4.43Å; E240-W292 HydrophobicContact CG-CH2 4.24Å; E240-W292 HydrophobicContact CG-CZ2 3.61Å; L241-W292 PolarHBondContact N-O 3.5Å; T263-W292 HydrophobicContact CG2-CB 3.51Å; T263-W292 CarbonylContact O-C 3.58Å; T263-W292 WeakPolarHBondContact O-CA 3.34Å; R277-W292 VanDerWaalsContact NH1-CD1 3.29Å; R277-W292 VanDerWaalsContact NH1-CE2 3.31Å; W292-D294 HydrophobicContact CH2-CB 4.16Å; W292-D294 HydrophobicContact CZ3-CB 3.68Å
293	M	95.6	Very high	91.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.1	175.7	-67.8	-173.5	-179.7	0	0	110.5	L241 V246 I262 T263 F264 C265 L301 F305	L241-M293 HydrophobicContact CB-CE 3.54Å; L241-M293 HydrophobicContact CB-CG 3.77Å; L241-M293 HydrophobicContact CD1-CE 3.92Å; L241-M293 HydrophobicContact CG-CE 4.39Å; L241-M293 WeakPolarHBondContact O-CG 3.41Å; V246-M293 HydrophobicContact CB-CE 4.2Å; V246-M293 HydrophobicContact CG2-CE 3.35Å; I262-M293 HydrophobicContact CG2-CE 4.46Å; I262-M293 HydrophobicContact CG2-CG 4.22Å; T263-M293 PolarHBondContact O-N 3.45Å; F264-M293 HydrophobicContact CD1-CB 4.08Å; F264-M293 HydrophobicContact CD1-CG 4.34Å; F264-M293 HydrophobicContact CD1-SD 3.81Å; F264-M293 HydrophobicContact CE1-CE 4.38Å; F264-M293 HydrophobicContact CE1-CG 4.37Å; F264-M293 HydrophobicContact CE1-SD 3.43Å; F264-M293 WeakPolarHBondContact CE1-SD 3.27Å; F264-M293 HydrophobicContact CZ-SD 4.41Å; C265-M293 PolarHBondContact N-O 2.94Å; M293-L301 HydrophobicContact CE-CD2 3.98Å; M293-L301 HydrophobicContact SD-CD2 3.96Å; M293-L301 HydrophobicContact SD-CG 4.28Å; M293-F305 HydrophobicContact CE-CE2 3.86Å; M293-F305 HydrophobicContact CE-CZ 4.22Å; M293-F305 HydrophobicContact SD-CD2 4.41Å; M293-F305 HydrophobicContact SD-CE2 4.3Å
294	D	94.9	Very high	91.6	Very high	44 Å²	44	47.1 Å²	47.1	24%	0.235	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	92.5	171.5	-174.7	34.5	0	0	0	109.6	W292 P296 T297 Q298	W292-D294 HydrophobicContact CH2-CB 4.16Å; W292-D294 HydrophobicContact CZ3-CB 3.68Å; D294-P296 VanDerWaalsContact C-CD 3.48Å; D294-P296 WeakPolarHBondContact OD1-CD 3.33Å; D294-T297 WeakPolarHBondContact CB-OG1 3.02Å; D294-T297 PolarHBondContact O-N 3.44Å; D294-T297 PolarHBondContact O-OG1 3.48Å; D294-T297 VanDerWaalsContact O-OG1 3.08Å; D294-T297 WeakPolarHBondContact OD2-CB 3.5Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.28Å; D294-T297 PolarHBondContact OD2-OG1 3.33Å; D294-Q298 WeakPolarHBondContact O-CB 3.37Å; D294-Q298 WeakPolarHBondContact O-CG 3.39Å; D294-Q298 PolarHBondContact O-N 2.87Å
295	C	93.9	Very high	91.5	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.068	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-32.5	-174.9	-66.5	0	0	0	0	115	C265 T297 Q298 Q299 C302	C265-C295 VanDerWaalsContact O-CB 3.28Å; C265-C295 WeakPolarHBondContact O-CB 3.4Å; C265-C295 PolarHBondContact O-N 2.82Å; C295-T297 VanDerWaalsContact C-N 3.25Å; C295-T297 PolarHBondContact O-N 3.19Å; C295-Q298 CarbonylContact O-C 3.54Å; C295-Q298 PolarHBondContact O-N 3.3Å; C295-Q299 WeakPolarHBondContact O-CA 3.43Å; C295-Q299 PolarHBondContact O-N 2.73Å; C295-Q299 VanDerWaalsContact O-N 3.08Å; C295-C302 WeakPolarHBondContact CA-SG 3.4Å; C295-C302 HydrophobicContact CB-CB 3.74Å; C295-C302 WeakPolarHBondContact CB-SG 3.47Å; C295-C302 WeakPolarHBondContact SG-CB 3.21Å; C295-C302 CovalentContact SG-SG 2.05Å; C295-C302 PolarHBondContact SG-SG 2.96Å
296	P	92.6	Very high	91.6	Very high	60 Å²	60	50.8 Å²	50.8	39%	0.39	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.7	171.8	-28.9	36.2	0	0	0	113.6	C265 D267 D294	C265-P296 WeakPolarHBondContact O-CD 3.4Å; D267-P296 WeakPolarHBondContact OD1-CG 3.07Å; D294-P296 VanDerWaalsContact C-CD 3.48Å; D294-P296 WeakPolarHBondContact OD1-CD 3.33Å
297	T	93.4	Very high	91.8	Very high	89 Å²	89	50 Å²	50	55%	0.546	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-24.7	177.1	58.9	0	0	0	0	113.2	D294 C295	D294-T297 WeakPolarHBondContact CB-OG1 3.02Å; D294-T297 PolarHBondContact O-N 3.44Å; D294-T297 PolarHBondContact O-OG1 3.48Å; D294-T297 VanDerWaalsContact O-OG1 3.08Å; D294-T297 WeakPolarHBondContact OD2-CB 3.5Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.28Å; D294-T297 PolarHBondContact OD2-OG1 3.33Å; C295-T297 VanDerWaalsContact C-N 3.25Å; C295-T297 PolarHBondContact O-N 3.19Å
298	Q	92.9	Very high	91.6	Very high	41 Å²	41	54.7 Å²	54.7	19%	0.192	29%	0.285	C	S	.	.			trans	-113.5	42.4	-176.9	-54.8	-59.4	-53.7	0	0	112.9	W242 Q243 D294 C295 Q300 L301 C302	W242-Q298 HydrophobicContact CB-CG 4.22Å; Q243-Q298 VanDerWaalsContact N-OE1 3.15Å; D294-Q298 WeakPolarHBondContact O-CB 3.37Å; D294-Q298 WeakPolarHBondContact O-CG 3.39Å; D294-Q298 PolarHBondContact O-N 2.87Å; C295-Q298 CarbonylContact O-C 3.54Å; C295-Q298 PolarHBondContact O-N 3.3Å; Q298-Q300 PolarHBondContact O-N 3.02Å; Q298-L301 HydrophobicContact CB-CB 4.17Å; Q298-L301 WeakPolarHBondContact O-CB 3.38Å; Q298-L301 PolarHBondContact O-N 3.32Å; Q298-C302 PolarHBondContact O-N 2.83Å
299	Q	89	Confident	91.5	Very high	133 Å²	133	57.1 Å²	57.1	62%	0.621	30%	0.302	S	S	*	.	H	α-helix	trans	-52.7	-51.7	-171.2	-173.1	176.8	4.4	0	0	113.7	C295 L301 C302 D303	C295-Q299 WeakPolarHBondContact O-CA 3.43Å; C295-Q299 PolarHBondContact O-N 2.73Å; C295-Q299 VanDerWaalsContact O-N 3.08Å; Q299-L301 PolarHBondContact O-N 3.09Å; Q299-C302 PolarHBondContact O-N 3.14Å; Q299-D303 WeakPolarHBondContact O-CB 3.32Å; Q299-D303 VanDerWaalsContact O-CG 3.23Å; Q299-D303 PolarHBondContact O-N 2.95Å
300	Q	90	Very high	91.4	Very high	166 Å²	166	53.1 Å²	53.1	78%	0.776	29%	0.289	S	S	*	.	H	α-helix	trans	-59.7	-34.9	179.8	-67.5	-179.1	-8.5	0	0	112.7	Q298 S304	Q298-Q300 PolarHBondContact O-N 3.02Å; Q300-S304 PolarHBondContact O-N 3.27Å
301	L	91.1	Very high	91.2	Very high	2 Å²	2	54 Å²	54	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-71.2	-49.7	178.2	-174.6	61	0	0	0	110.2	V246 M293 Q298 Q299 D303 S304 F305	V246-L301 HydrophobicContact CB-CD2 4.3Å; V246-L301 HydrophobicContact CG1-CD1 3.97Å; V246-L301 HydrophobicContact CG1-CD2 3.96Å; M293-L301 HydrophobicContact CE-CD2 3.98Å; M293-L301 HydrophobicContact SD-CD2 3.96Å; M293-L301 HydrophobicContact SD-CG 4.28Å; Q298-L301 HydrophobicContact CB-CB 4.17Å; Q298-L301 WeakPolarHBondContact O-CB 3.38Å; Q298-L301 PolarHBondContact O-N 3.32Å; Q299-L301 PolarHBondContact O-N 3.09Å; L301-D303 VanDerWaalsContact C-N 3.29Å; L301-D303 PolarHBondContact O-N 3.39Å; L301-S304 WeakPolarHBondContact O-CB 3.12Å; L301-S304 PolarHBondContact O-N 2.77Å; L301-S304 PolarHBondContact O-OG 3.34Å; L301-F305 HydrophobicContact CD1-CD2 4.26Å; L301-F305 HydrophobicContact CD1-CE2 3.72Å; L301-F305 HydrophobicContact CG-CD2 4.27Å; L301-F305 HydrophobicContact CG-CE2 4Å; L301-F305 VanDerWaalsContact O-CD2 3.29Å; L301-F305 WeakPolarHBondContact O-CD2 3.3Å; L301-F305 PolarHBondContact O-N 3.4Å
302	C	91.7	Very high	91.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-37	178.4	-69.6	0	0	0	0	112.5	C295 Q298 Q299 S304 F305 Q306 V307	C295-C302 WeakPolarHBondContact CA-SG 3.4Å; C295-C302 HydrophobicContact CB-CB 3.74Å; C295-C302 WeakPolarHBondContact CB-SG 3.47Å; C295-C302 WeakPolarHBondContact SG-CB 3.21Å; C295-C302 CovalentContact SG-SG 2.05Å; C295-C302 PolarHBondContact SG-SG 2.96Å; Q298-C302 PolarHBondContact O-N 2.83Å; Q299-C302 PolarHBondContact O-N 3.14Å; C302-S304 VanDerWaalsContact C-N 3.29Å; C302-S304 PolarHBondContact O-N 3.06Å; C302-F305 CarbonylContact O-C 3.54Å; C302-F305 PolarHBondContact O-N 3.03Å; C302-F305 VanDerWaalsContact O-N 3.14Å; C302-Q306 PolarHBondContact O-N 3.34Å; C302-V307 PolarHBondContact O-N 3.43Å
303	D	89.6	Confident	91	Very high	88 Å²	88	51.7 Å²	51.7	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-38.5	172.7	-70.2	-21.9	0	0	0	111.7	Q299 L301 F305 Q306	Q299-D303 WeakPolarHBondContact O-CB 3.32Å; Q299-D303 VanDerWaalsContact O-CG 3.23Å; Q299-D303 PolarHBondContact O-N 2.95Å; L301-D303 VanDerWaalsContact C-N 3.29Å; L301-D303 PolarHBondContact O-N 3.39Å; D303-F305 VanDerWaalsContact C-N 3.28Å; D303-F305 PolarHBondContact O-N 2.74Å; D303-Q306 WeakPolarHBondContact O-CA 3.36Å; D303-Q306 PolarHBondContact O-N 2.98Å
304	S	87.9	Confident	90.9	Very high	59 Å²	59	51.9 Å²	51.9	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-67.1	-28.5	176.8	79.2	0	0	0	0	113.3	Q300 L301 C302 Q306	Q300-S304 PolarHBondContact O-N 3.27Å; L301-S304 WeakPolarHBondContact O-CB 3.12Å; L301-S304 PolarHBondContact O-N 2.77Å; L301-S304 PolarHBondContact O-OG 3.34Å; C302-S304 VanDerWaalsContact C-N 3.29Å; C302-S304 PolarHBondContact O-N 3.06Å; S304-Q306 PolarHBondContact O-N 3.39Å
305	F	87.1	Confident	90.8	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.039	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1.8	170	-74.7	-85.1	0	0	0	113.2	V246 F264 M293 L301 C302 D303 V307 F315 L321	V246-F305 HydrophobicContact CG2-CE2 4.4Å; V246-F305 HydrophobicContact CG2-CZ 4.21Å; F264-F305 HydrophobicContact CE1-CB 4.02Å; F264-F305 HydrophobicContact CE1-CD1 4.42Å; F264-F305 HydrophobicContact CE1-CD2 4.08Å; F264-F305 AromaticContact CE1-CG 3.93Å; F264-F305 HydrophobicContact CE1-CG 3.93Å; F264-F305 HydrophobicContact CZ-CB 4.19Å; F264-F305 HydrophobicContact CZ-CD1 4.09Å; F264-F305 HydrophobicContact CZ-CG 4.04Å; M293-F305 HydrophobicContact CE-CE2 3.86Å; M293-F305 HydrophobicContact CE-CZ 4.22Å; M293-F305 HydrophobicContact SD-CD2 4.41Å; M293-F305 HydrophobicContact SD-CE2 4.3Å; L301-F305 HydrophobicContact CD1-CD2 4.26Å; L301-F305 HydrophobicContact CD1-CE2 3.72Å; L301-F305 HydrophobicContact CG-CD2 4.27Å; L301-F305 HydrophobicContact CG-CE2 4Å; L301-F305 VanDerWaalsContact O-CD2 3.29Å; L301-F305 WeakPolarHBondContact O-CD2 3.3Å; L301-F305 PolarHBondContact O-N 3.4Å; C302-F305 CarbonylContact O-C 3.54Å; C302-F305 PolarHBondContact O-N 3.03Å; C302-F305 VanDerWaalsContact O-N 3.14Å; D303-F305 VanDerWaalsContact C-N 3.28Å; D303-F305 PolarHBondContact O-N 2.74Å; F305-V307 HydrophobicContact CB-CG2 3.95Å; F305-V307 PolarHBondContact O-N 3.36Å; F305-F315 HydrophobicContact CD1-CE1 4.03Å; F305-F315 HydrophobicContact CD1-CZ 4.05Å; F305-F315 AromaticContact CE1-CE1 3.9Å; F305-F315 HydrophobicContact CE1-CE1 3.9Å; F305-F315 HydrophobicContact CE1-CZ 4.14Å; F305-L321 HydrophobicContact CD1-CD1 3.8Å; F305-L321 HydrophobicContact CD1-CD2 3.86Å; F305-L321 HydrophobicContact CD1-CG 4.24Å; F305-L321 HydrophobicContact CE1-CD1 3.99Å; F305-L321 HydrophobicContact CG-CD1 4.31Å
306	Q	88.2	Confident	90.6	Very high	159 Å²	159	51.8 Å²	51.8	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	30.7	-175.5	-53	174.7	7.3	0	0	113.1	C302 D303 S304	C302-Q306 PolarHBondContact O-N 3.34Å; D303-Q306 WeakPolarHBondContact O-CA 3.36Å; D303-Q306 PolarHBondContact O-N 2.98Å; S304-Q306 PolarHBondContact O-N 3.39Å
307	V	87.9	Confident	90.3	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	29%	0.29	C	S	.	.			trans	-101.4	113.5	-179	-179.3	0	0	0	0	110.4	F264 C302 F305 S309 A311 W329	F264-V307 HydrophobicContact CB-CG1 3.74Å; F264-V307 HydrophobicContact CD1-CB 4.38Å; F264-V307 HydrophobicContact CD1-CG1 4.37Å; F264-V307 HydrophobicContact CD1-CG2 4.1Å; F264-V307 HydrophobicContact CD2-CG2 4.11Å; F264-V307 HydrophobicContact CE1-CG2 4.21Å; F264-V307 HydrophobicContact CE2-CG2 4.24Å; F264-V307 HydrophobicContact CG-CB 4.4Å; F264-V307 HydrophobicContact CG-CG1 3.99Å; F264-V307 HydrophobicContact CG-CG2 4.05Å; F264-V307 HydrophobicContact CZ-CG2 4.29Å; C302-V307 PolarHBondContact O-N 3.43Å; F305-V307 HydrophobicContact CB-CG2 3.95Å; F305-V307 PolarHBondContact O-N 3.36Å; V307-S309 WeakPolarHBondContact CG1-O 3.41Å; V307-A311 HydrophobicContact CG1-CB 4.23Å; V307-W329 HydrophobicContact CG2-CH2 3.41Å; V307-W329 VanDerWaalsContact CG2-CH2 3.41Å; V307-W329 HydrophobicContact CG2-CZ2 4.49Å; V307-W329 HydrophobicContact CG2-CZ3 3.83Å
308	T	83.9	Confident	89.8	Confident	116 Å²	116	50.7 Å²	50.7	71%	0.712	30%	0.296	S	S	*	.			trans	-109.4	-12.6	-179.9	53.1	0	0	0	0	113.9
309	S	89.6	Confident	89.4	Confident	57 Å²	57	49.7 Å²	49.7	40%	0.399	29%	0.294	S	S	.	.	S	Bend	trans	-144	164.8	176.1	59.3	0	0	0	0	110.2	T268 V307 A311	T268-S309 CarbonylContact O-C 3.59Å; T268-S309 VanDerWaalsContact O-CA 3.31Å; T268-S309 WeakPolarHBondContact O-CA 3.47Å; T268-S309 WeakPolarHBondContact O-CB 3.26Å; V307-S309 WeakPolarHBondContact CG1-O 3.41Å; S309-A311 PolarHBondContact O-N 3.48Å
310	G	90.4	Very high	88.9	Confident	15 Å²	15	45.7 Å²	45.7	16%	0.155	28%	0.28	C	S	.	.			trans	-49.6	127.5	-179.2	0	0	0	0	0	112.3	F264 T268	F264-G310 WeakPolarHBondContact O-CA 3.47Å; T268-G310 PolarHBondContact O-N 3.38Å
311	A	92.9	Very high	88.1	Confident	23 Å²	23	40.8 Å²	40.8	19%	0.19	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157	-172.9	0	0	0	0	0	111.7	T263 F264 V307 S309 W329	T263-A311 CarbonylContact C-O 3.12Å; T263-A311 WeakPolarHBondContact CA-O 3.46Å; F264-A311 PolarHBondContact N-O 2.78Å; F264-A311 PolarHBondContact O-N 3.48Å; F264-A311 VanDerWaalsContact O-N 3.16Å; V307-A311 HydrophobicContact CG1-CB 4.23Å; S309-A311 PolarHBondContact O-N 3.48Å; A311-W329 HydrophobicContact CB-CE3 4.08Å; A311-W329 HydrophobicContact CB-CZ3 3.82Å
312	T	95	Very high	87.2	Confident	3 Å²	3	48 Å²	48	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.6	172.3	-58.6	0	0	0	0	109.6	L261 I262 T263 L272 L330	L261-T312 HydrophobicContact CD1-CG2 3.81Å; L261-T312 HydrophobicContact CG-CG2 4.38Å; I262-T312 WeakPolarHBondContact O-CA 3.09Å; T263-T312 PolarHBondContact OG1-OG1 3.44Å; L272-T312 HydrophobicContact CD1-CG2 3.97Å; T312-L330 HydrophobicContact CG2-CD1 4.23Å; T312-L330 PolarHBondContact O-N 3.27Å
313	A	93.8	Very high	86.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.5	-179.5	0	0	0	0	0	112.9	L261 I262 F315 I327 L328 W329	L261-A313 WeakPolarHBondContact CA-O 3.46Å; I262-A313 PolarHBondContact N-O 2.82Å; I262-A313 PolarHBondContact O-N 3.34Å; A313-F315 HydrophobicContact CB-CD2 4.27Å; A313-F315 HydrophobicContact CB-CE2 3.56Å; A313-F315 HydrophobicContact CB-CZ 4.02Å; A313-I327 HydrophobicContact CB-CG2 3.8Å; A313-L328 CarbonylContact C-O 3.59Å; A313-L328 VanDerWaalsContact CA-O 3.27Å; A313-L328 WeakPolarHBondContact CA-O 3.48Å; A313-W329 HydrophobicContact CB-CD2 3.89Å; A313-W329 HydrophobicContact CB-CE3 3.59Å; A313-W329 HydrophobicContact CB-CH2 4.15Å; A313-W329 HydrophobicContact CB-CZ2 4.46Å; A313-W329 HydrophobicContact CB-CZ3 3.72Å
314	L	93.8	Very high	85.4	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.5	167.3	175.3	71.6	0	0	0	109.2	W260 L261 V288 P316 L328 V342 H345	W260-L314 CarbonylContact O-C 3.56Å; W260-L314 WeakPolarHBondContact O-CA 3.26Å; L261-L314 HydrophobicContact CD1-CB 4.39Å; V288-L314 HydrophobicContact CG1-CD1 3.78Å; V288-L314 HydrophobicContact CG2-CD1 4.19Å; L314-P316 WeakPolarHBondContact O-CD 3.48Å; L314-L328 HydrophobicContact CB-CB 4.22Å; L314-L328 HydrophobicContact CB-CD2 4.47Å; L314-L328 HydrophobicContact CD2-CD2 4.13Å; L314-L328 PolarHBondContact N-O 3.23Å; L314-L328 PolarHBondContact O-N 2.77Å; L314-V342 HydrophobicContact CD1-CG1 4.2Å; L314-V342 HydrophobicContact CD1-CG2 4.26Å; L314-V342 HydrophobicContact CD2-CB 4.48Å; L314-V342 HydrophobicContact CD2-CG1 4.34Å; L314-V342 HydrophobicContact CD2-CG2 4.23Å; L314-H345 HydrophobicContact CD2-CB 4.13Å
315	F	92.2	Very high	84.8	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.031	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	92.5	178.2	-63.5	-100.2	0	0	0	108.1	F254 G259 W260 I262 F264 F305 A313 I327	F254-F315 HydrophobicContact CZ-CB 4.37Å; G259-F315 CarbonylContact C-O 3.4Å; G259-F315 WeakPolarHBondContact CA-O 3.43Å; W260-F315 HydrophobicContact CB-CB 4.19Å; W260-F315 PolarHBondContact N-O 3.38Å; W260-F315 PolarHBondContact O-N 3.34Å; I262-F315 HydrophobicContact CB-CD2 4.31Å; I262-F315 HydrophobicContact CB-CE2 3.9Å; I262-F315 HydrophobicContact CD1-CD2 3.83Å; I262-F315 HydrophobicContact CD1-CE2 3.78Å; I262-F315 HydrophobicContact CD1-CG 4.5Å; I262-F315 HydrophobicContact CD1-CZ 4.39Å; I262-F315 HydrophobicContact CG1-CD2 3.98Å; I262-F315 HydrophobicContact CG1-CE2 3.99Å; F264-F315 HydrophobicContact CE2-CE2 4.24Å; F264-F315 HydrophobicContact CE2-CZ 4.23Å; F264-F315 HydrophobicContact CZ-CE2 4.33Å; F264-F315 HydrophobicContact CZ-CZ 4.03Å; F305-F315 HydrophobicContact CD1-CE1 4.03Å; F305-F315 HydrophobicContact CD1-CZ 4.05Å; F305-F315 AromaticContact CE1-CE1 3.9Å; F305-F315 HydrophobicContact CE1-CE1 3.9Å; F305-F315 HydrophobicContact CE1-CZ 4.14Å; A313-F315 HydrophobicContact CB-CD2 4.27Å; A313-F315 HydrophobicContact CB-CE2 3.56Å; A313-F315 HydrophobicContact CB-CZ 4.02Å; F315-I327 HydrophobicContact CD1-CD1 3.9Å; F315-I327 HydrophobicContact CD1-CG1 3.76Å; F315-I327 HydrophobicContact CD1-CG2 4.14Å; F315-I327 HydrophobicContact CE1-CD1 3.56Å; F315-I327 HydrophobicContact CE1-CG1 3.88Å; F315-I327 HydrophobicContact CE1-CG2 3.93Å; F315-I327 HydrophobicContact CE2-CG2 4.43Å; F315-I327 HydrophobicContact CG-CG2 4.49Å; F315-I327 HydrophobicContact CZ-CG2 4.07Å
316	P	89.5	Confident	84.6	Confident	44 Å²	44	59 Å²	59	29%	0.286	37%	0.37	S	S	.	.			trans	-59.7	157.5	174.4	-22.4	33.7	0	0	0	112.4	F254 L314 G318 S319 S326	F254-P316 WeakPolarHBondContact CZ-O 3.46Å; L314-P316 WeakPolarHBondContact O-CD 3.48Å; P316-G318 PolarHBondContact O-N 3.33Å; P316-S319 VanDerWaalsContact O-CB 3.24Å; P316-S319 WeakPolarHBondContact O-CB 3.26Å; P316-S319 PolarHBondContact O-N 2.79Å; P316-S319 PolarHBondContact O-OG 3.39Å; P316-S319 VanDerWaalsContact O-OG 3.08Å; P316-S326 VanDerWaalsContact CD-O 3.26Å; P316-S326 WeakPolarHBondContact CD-O 3.34Å
317	P	87.3	Confident	84.6	Confident	61 Å²	61	52.6 Å²	52.6	40%	0.396	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	126.5	176	-23.3	32.1	0	0	0	112.1	G257	G257-P317 WeakPolarHBondContact O-CG 3.19Å
318	G	82.7	Confident	84.7	Confident	66 Å²	66	54.2 Å²	54.2	68%	0.68	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	5.4	-178.9	0	0	0	0	0	115.1	F254 P316	F254-G318 VanDerWaalsContact CE2-N 3.35Å; P316-G318 PolarHBondContact O-N 3.33Å
319	S	84.3	Confident	85.1	Confident	20 Å²	20	54.2 Å²	54.2	14%	0.14	34%	0.335	C	S	.	.			trans	-63	144.9	174	66.1	0	0	0	0	111.8	F254 P316 S326	F254-S319 WeakPolarHBondContact CZ-OG 3.28Å; P316-S319 VanDerWaalsContact O-CB 3.24Å; P316-S319 WeakPolarHBondContact O-CB 3.26Å; P316-S319 PolarHBondContact O-N 2.79Å; P316-S319 PolarHBondContact O-OG 3.39Å; P316-S319 VanDerWaalsContact O-OG 3.08Å; S319-S326 WeakPolarHBondContact CB-O 3.43Å
320	S	78.4	Confident	85.2	Confident	48 Å²	48	52.4 Å²	52.4	34%	0.336	32%	0.321	S	S	.	.			trans	-136.9	141.5	175.3	173	0	0	0	0	110.2	D322 T323 S326	S320-D322 PolarHBondContact O-N 3.21Å; S320-D322 PolarHBondContact OG-N 2.99Å; S320-T323 PolarHBondContact O-N 2.94Å; S320-S326 PolarHBondContact N-OG 2.68Å; S320-S326 PolarHBondContact O-OG 2.96Å
321	L	72.6	Confident	85.2	Confident	64 Å²	64	62 Å²	62	34%	0.335	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.3	177.5	-75.2	162.5	0	0	0	112.8	F305 T323 I327	F305-L321 HydrophobicContact CD1-CD1 3.8Å; F305-L321 HydrophobicContact CD1-CD2 3.86Å; F305-L321 HydrophobicContact CD1-CG 4.24Å; F305-L321 HydrophobicContact CE1-CD1 3.99Å; F305-L321 HydrophobicContact CG-CD1 4.31Å; L321-T323 VanDerWaalsContact C-N 3.29Å; L321-T323 PolarHBondContact O-N 3.38Å; L321-I327 HydrophobicContact CD2-CD1 3.57Å; L321-I327 HydrophobicContact CG-CD1 4.1Å
322	D	72.3	Confident	85.1	Confident	152 Å²	152	61.9 Å²	61.9	81%	0.813	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.5	-179.5	-57.7	-42	0	0	0	112.9	S320	S320-D322 PolarHBondContact O-N 3.21Å; S320-D322 PolarHBondContact OG-N 2.99Å
323	T	74.7	Confident	84.8	Confident	84 Å²	84	65.4 Å²	65.4	52%	0.515	37%	0.374	S	S	.	.	S	Bend	trans	-97	105.1	-177.8	-52.8	0	0	0	0	110.1	S320 L321 G325 S326	S320-T323 PolarHBondContact O-N 2.94Å; L321-T323 VanDerWaalsContact C-N 3.29Å; L321-T323 PolarHBondContact O-N 3.38Å; T323-G325 PolarHBondContact O-N 3.13Å; T323-S326 WeakPolarHBondContact O-CB 3.27Å; T323-S326 PolarHBondContact O-N 2.91Å; T323-S326 VanDerWaalsContact O-N 3.14Å; T323-S326 PolarHBondContact O-OG 3.48Å
324	Q	69.8	Low	84.6	Confident	202 Å²	202	69.1 Å²	69.1	94%	0.944	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	125.5	-178.4	-165.1	173.4	5.2	0	0	111.4
325	G	73.9	Confident	84.4	Confident	77 Å²	77	69.9 Å²	69.9	79%	0.794	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	2.4	179.4	0	0	0	0	0	115.6	T323	T323-G325 PolarHBondContact O-N 3.13Å
326	S	82.9	Confident	84.1	Confident	28 Å²	28	74.4 Å²	74.4	20%	0.196	42%	0.416	C	S	.	.	S	Bend	trans	-79.6	-18.8	177.9	75.1	0	0	0	0	114.3	P316 S319 S320 T323	P316-S326 VanDerWaalsContact CD-O 3.26Å; P316-S326 WeakPolarHBondContact CD-O 3.34Å; S319-S326 WeakPolarHBondContact CB-O 3.43Å; S320-S326 PolarHBondContact N-OG 2.68Å; S320-S326 PolarHBondContact O-OG 2.96Å; T323-S326 WeakPolarHBondContact O-CB 3.27Å; T323-S326 PolarHBondContact O-N 2.91Å; T323-S326 VanDerWaalsContact O-N 3.14Å; T323-S326 PolarHBondContact O-OG 3.48Å
327	I	88.7	Confident	84.1	Confident	24 Å²	24	77.2 Å²	77.2	12%	0.123	43%	0.425	C	S	.	.	S	Bend	trans	-111.7	133.1	179	-60.1	163.7	0	0	0	109	A313 F315 L321 W329	A313-I327 HydrophobicContact CB-CG2 3.8Å; F315-I327 HydrophobicContact CD1-CD1 3.9Å; F315-I327 HydrophobicContact CD1-CG1 3.76Å; F315-I327 HydrophobicContact CD1-CG2 4.14Å; F315-I327 HydrophobicContact CE1-CD1 3.56Å; F315-I327 HydrophobicContact CE1-CG1 3.88Å; F315-I327 HydrophobicContact CE1-CG2 3.93Å; F315-I327 HydrophobicContact CE2-CG2 4.43Å; F315-I327 HydrophobicContact CG-CG2 4.49Å; F315-I327 HydrophobicContact CZ-CG2 4.07Å; L321-I327 HydrophobicContact CD2-CD1 3.57Å; L321-I327 HydrophobicContact CG-CD1 4.1Å; I327-W329 HydrophobicContact CG2-CZ2 4.34Å
328	L	90.6	Very high	84.4	Confident	44 Å²	44	74.3 Å²	74.3	23%	0.23	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	109.3	178.8	176	72.3	0	0	0	110.5	A313 L314 L330 H345	A313-L328 CarbonylContact C-O 3.59Å; A313-L328 VanDerWaalsContact CA-O 3.27Å; A313-L328 WeakPolarHBondContact CA-O 3.48Å; L314-L328 HydrophobicContact CB-CB 4.22Å; L314-L328 HydrophobicContact CB-CD2 4.47Å; L314-L328 HydrophobicContact CD2-CD2 4.13Å; L314-L328 PolarHBondContact N-O 3.23Å; L314-L328 PolarHBondContact O-N 2.77Å; L328-L330 HydrophobicContact CD2-CD2 3.85Å; L328-L330 HydrophobicContact CG-CD2 3.98Å; L328-H345 HydrophobicContact CD2-CB 4.27Å
329	W	91.2	Very high	84.7	Confident	116 Å²	116	72 Å²	72	44%	0.439	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.2	174.9	-63.8	93.3	0	0	0	111.3	F264 V307 A311 A313 I327	F264-W329 HydrophobicContact CD2-CZ3 4.28Å; F264-W329 HydrophobicContact CE2-CH2 4.17Å; F264-W329 HydrophobicContact CE2-CZ3 4.1Å; V307-W329 HydrophobicContact CG2-CH2 3.41Å; V307-W329 VanDerWaalsContact CG2-CH2 3.41Å; V307-W329 HydrophobicContact CG2-CZ2 4.49Å; V307-W329 HydrophobicContact CG2-CZ3 3.83Å; A311-W329 HydrophobicContact CB-CE3 4.08Å; A311-W329 HydrophobicContact CB-CZ3 3.82Å; A313-W329 HydrophobicContact CB-CD2 3.89Å; A313-W329 HydrophobicContact CB-CE3 3.59Å; A313-W329 HydrophobicContact CB-CH2 4.15Å; A313-W329 HydrophobicContact CB-CZ2 4.46Å; A313-W329 HydrophobicContact CB-CZ3 3.72Å; I327-W329 HydrophobicContact CG2-CZ2 4.34Å
330	L	92.4	Very high	84.9	Confident	19 Å²	19	74.7 Å²	74.7	10%	0.099	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.3	-177.5	-56	179.1	0	0	0	110.4	L261 T312 L328 I338 H341	L261-L330 HydrophobicContact CD1-CD1 3.74Å; T312-L330 HydrophobicContact CG2-CD1 4.23Å; T312-L330 PolarHBondContact O-N 3.27Å; L328-L330 HydrophobicContact CD2-CD2 3.85Å; L328-L330 HydrophobicContact CG-CD2 3.98Å; L330-I338 HydrophobicContact CD1-CB 4.38Å; L330-I338 HydrophobicContact CD1-CG1 4.19Å; L330-I338 HydrophobicContact CD1-CG2 3.79Å; L330-H341 HydrophobicContact CD2-CB 3.91Å
331	K	89.6	Confident	85.4	Confident	216 Å²	216	76.5 Å²	76.5	94%	0.939	39%	0.393	S	S	*	.			trans	-103	3.6	-178.2	-63.1	-176.2	179.9	-179.8	0	114
332	T	90.9	Very high	86.3	Confident	21 Å²	21	73.4 Å²	73.4	13%	0.129	38%	0.377	C	S	.	.			trans	-116.1	152.1	-175.9	177.8	0	0	0	0	110.2	D334 E337 I338	T332-D334 PolarHBondContact OG1-N 2.71Å; T332-D334 VanDerWaalsContact OG1-N 3.1Å; T332-E337 WeakPolarHBondContact CB-OE2 3.43Å; T332-E337 HydrophobicContact CG2-CB 3.83Å; T332-E337 PolarHBondContact OG1-OE2 2.87Å; T332-I338 HydrophobicContact CG2-CG1 3.74Å
333	L	90.2	Very high	87	Confident	76 Å²	76	66.3 Å²	66.3	40%	0.398	34%	0.339	S	S	.	.			trans	-108.9	-3.5	173	-57.7	171.6	0	0	0	111.7	D270 L272	D270-L333 HydrophobicContact CB-CD1 3.48Å; D270-L333 VanDerWaalsContact CB-CD1 3.48Å; L272-L333 HydrophobicContact CD2-CB 4.16Å; L272-L333 HydrophobicContact CD2-CD2 3.83Å
334	D	89.6	Confident	87.6	Confident	78 Å²	78	67 Å²	67	42%	0.417	34%	0.339	S	S	.	.			trans	-75.9	127.5	178.6	179.2	-93.7	0	0	0	110.6	T332 R336 E337 I338	T332-D334 PolarHBondContact OG1-N 2.71Å; T332-D334 VanDerWaalsContact OG1-N 3.1Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 3.09Å; D334-R336 WeakPolarHBondContact OD1-CA 2.77Å; D334-R336 WeakPolarHBondContact OD1-CB 3.36Å; D334-R336 PolarHBondContact OD1-N 2.9Å; D334-E337 HydrophobicContact CB-CB 4.2Å; D334-E337 HydrophobicContact CB-CG 4.15Å; D334-E337 PolarHBondContact O-N 3.09Å; D334-E337 PolarHBondContact OD1-N 3.09Å; D334-I338 WeakPolarHBondContact O-CB 3.32Å; D334-I338 WeakPolarHBondContact O-CD1 3.09Å; D334-I338 WeakPolarHBondContact O-CG1 3.47Å; D334-I338 PolarHBondContact O-N 3.12Å
335	S	88.9	Confident	88.4	Confident	20 Å²	20	62.1 Å²	62.1	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-32.6	-176.4	46.9	0	0	0	0	113.6	L280 Y339	L280-S335 WeakPolarHBondContact CD2-O 3.24Å; S335-Y339 WeakPolarHBondContact O-CB 3.18Å; S335-Y339 PolarHBondContact O-N 2.94Å
336	R	85.8	Confident	88.9	Confident	103 Å²	103	59.7 Å²	59.7	39%	0.389	29%	0.285	S	S	.	.	H	α-helix	trans	-77.2	-42.5	-177.5	-172.1	-172.8	-101.2	170.3	-12.9	110.4	E131 D177 D334 Y339 N340	E131-R336 IonicContact OE1-NH2 3.7Å; D177-R336 IonicContact OD2-CZ 3.34Å; D177-R336 VanDerWaalsContact OD2-CZ 3.23Å; D177-R336 IonicContact OD2-NE 3.72Å; D177-R336 PolarHBondContact OD2-NE 3.21Å; D177-R336 VanDerWaalsContact OD2-NE 3.11Å; D177-R336 IonicContact OD2-NH2 3.76Å; D177-R336 PolarHBondContact OD2-NH2 2.91Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 3.09Å; D334-R336 WeakPolarHBondContact OD1-CA 2.77Å; D334-R336 WeakPolarHBondContact OD1-CB 3.36Å; D334-R336 PolarHBondContact OD1-N 2.9Å; R336-Y339 PolarHBondContact O-N 2.86Å; R336-N340 VanDerWaalsContact O-CG 3.29Å; R336-N340 PolarHBondContact O-N 3.14Å; R336-N340 PolarHBondContact O-ND2 3.34Å
337	E	89.5	Confident	88.8	Confident	103 Å²	103	62.9 Å²	62.9	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-45.8	173.6	-67.5	-176.4	171.9	0	0	111.6	T332 D334 Y339 N340 H341	T332-E337 WeakPolarHBondContact CB-OE2 3.43Å; T332-E337 HydrophobicContact CG2-CB 3.83Å; T332-E337 PolarHBondContact OG1-OE2 2.87Å; D334-E337 HydrophobicContact CB-CB 4.2Å; D334-E337 HydrophobicContact CB-CG 4.15Å; D334-E337 PolarHBondContact O-N 3.09Å; D334-E337 PolarHBondContact OD1-N 3.09Å; E337-Y339 PolarHBondContact O-N 3.14Å; E337-N340 PolarHBondContact O-N 3.05Å; E337-H341 PolarHBondContact O-CD2 2.87Å; E337-H341 PolarHBondContact O-N 2.68Å
338	I	92.6	Very high	88.6	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.8	-49.7	174.5	-69.3	167.1	0	0	0	110.4	L261 L272 L280 L330 T332 D334 N340 H341 V342	L261-I338 HydrophobicContact CD1-CG2 4.28Å; L261-I338 HydrophobicContact CD2-CG2 3.76Å; L272-I338 HydrophobicContact CD1-CD1 4.11Å; L272-I338 HydrophobicContact CD2-CD1 3.56Å; L272-I338 HydrophobicContact CG-CD1 4.47Å; L280-I338 HydrophobicContact CD1-CB 4.48Å; L280-I338 HydrophobicContact CD1-CD1 3.99Å; L280-I338 HydrophobicContact CD1-CG2 4Å; L280-I338 HydrophobicContact CD2-CB 4.02Å; L280-I338 HydrophobicContact CD2-CG2 3.64Å; L280-I338 HydrophobicContact CG-CG2 4.49Å; L330-I338 HydrophobicContact CD1-CB 4.38Å; L330-I338 HydrophobicContact CD1-CG1 4.19Å; L330-I338 HydrophobicContact CD1-CG2 3.79Å; T332-I338 HydrophobicContact CG2-CG1 3.74Å; D334-I338 WeakPolarHBondContact O-CB 3.32Å; D334-I338 WeakPolarHBondContact O-CD1 3.09Å; D334-I338 WeakPolarHBondContact O-CG1 3.47Å; D334-I338 PolarHBondContact O-N 3.12Å; I338-N340 VanDerWaalsContact C-N 3.34Å; I338-N340 PolarHBondContact O-N 2.94Å; I338-H341 PolarHBondContact O-N 3.41Å; I338-V342 HydrophobicContact CG2-CG2 4.33Å; I338-V342 VanDerWaalsContact O-CG2 3.3Å; I338-V342 WeakPolarHBondContact O-CG2 3.34Å; I338-V342 PolarHBondContact O-N 2.89Å
339	Y	89.6	Confident	88.5	Confident	16 Å²	16	63.5 Å²	63.5	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-56.5	-47.1	178.8	164.7	-92	0	0	0	111.9	M283 L284 S335 R336 E337 H341 V342 I343 K383	M283-Y339 HydrophobicContact CB-CD2 3.8Å; M283-Y339 HydrophobicContact CB-CE2 4.34Å; M283-Y339 HydrophobicContact CE-CD1 4.09Å; M283-Y339 HydrophobicContact CE-CD2 3.98Å; M283-Y339 HydrophobicContact CE-CG 3.59Å; L284-Y339 HydrophobicContact CD2-CD2 3.7Å; L284-Y339 HydrophobicContact CD2-CE2 4.2Å; L284-Y339 HydrophobicContact CG-CD2 4.37Å; S335-Y339 WeakPolarHBondContact O-CB 3.18Å; S335-Y339 PolarHBondContact O-N 2.94Å; R336-Y339 PolarHBondContact O-N 2.86Å; E337-Y339 PolarHBondContact O-N 3.14Å; Y339-H341 PolarHBondContact O-N 3.1Å; Y339-V342 PolarHBondContact O-N 3.16Å; Y339-I343 HydrophobicContact CD1-CG1 4.36Å; Y339-I343 HydrophobicContact CD2-CG1 4.07Å; Y339-I343 HydrophobicContact CE1-CG1 3.9Å; Y339-I343 HydrophobicContact CE2-CD1 3.81Å; Y339-I343 HydrophobicContact CE2-CG1 3.58Å; Y339-I343 HydrophobicContact CG-CG1 4.44Å; Y339-I343 VanDerWaalsContact CZ-CG1 3.47Å; Y339-I343 WeakPolarHBondContact O-CG1 3.2Å; Y339-I343 PolarHBondContact O-N 3.49Å; Y339-K383 WeakPolarHBondContact OH-CE 3.4Å; Y339-K383 PolarHBondContact OH-NZ 3.43Å
340	N	88.4	Confident	88.5	Confident	78 Å²	78	62.4 Å²	62.4	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-46.3	178.8	-71.3	-21.4	0	0	0	111.3	R336 E337 I338 V342 I343 D344	R336-N340 VanDerWaalsContact O-CG 3.29Å; R336-N340 PolarHBondContact O-N 3.14Å; R336-N340 PolarHBondContact O-ND2 3.34Å; E337-N340 PolarHBondContact O-N 3.05Å; I338-N340 VanDerWaalsContact C-N 3.34Å; I338-N340 PolarHBondContact O-N 2.94Å; N340-V342 VanDerWaalsContact C-N 3.29Å; N340-V342 PolarHBondContact O-N 3.41Å; N340-I343 PolarHBondContact O-N 3.32Å; N340-D344 WeakPolarHBondContact O-CB 3.5Å; N340-D344 VanDerWaalsContact O-CG 3.28Å; N340-D344 PolarHBondContact O-N 2.85Å
341	H	90.1	Very high	88.5	Confident	85 Å²	85	65.6 Å²	65.6	39%	0.394	33%	0.326	S	S	.	.	H	α-helix	trans	-57.2	-42.7	174.6	-79.3	-57.7	0	0	0	112.3	L330 E337 I338 Y339 H345	L330-H341 HydrophobicContact CD2-CB 3.91Å; E337-H341 PolarHBondContact O-CD2 2.87Å; E337-H341 PolarHBondContact O-N 2.68Å; I338-H341 PolarHBondContact O-N 3.41Å; Y339-H341 PolarHBondContact O-N 3.1Å; H341-H345 PolarHBondContact O-N 2.74Å; H341-H345 PolarHBondContact O-ND1 3.22Å
342	V	90.1	Very high	88.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-51.3	177.8	173.7	0	0	0	0	110.8	L261 L284 V288 L314 I338 Y339 N340 D344 H345 L346	L261-V342 HydrophobicContact CD1-CG2 4.34Å; L284-V342 HydrophobicContact CD1-CB 4.42Å; L284-V342 HydrophobicContact CD1-CG1 4.15Å; L284-V342 HydrophobicContact CD1-CG2 4.23Å; L284-V342 HydrophobicContact CD2-CB 4.08Å; L284-V342 HydrophobicContact CD2-CG1 3.66Å; V288-V342 HydrophobicContact CB-CG1 4.46Å; V288-V342 HydrophobicContact CG2-CG1 3.69Å; L314-V342 HydrophobicContact CD1-CG1 4.2Å; L314-V342 HydrophobicContact CD1-CG2 4.26Å; L314-V342 HydrophobicContact CD2-CB 4.48Å; L314-V342 HydrophobicContact CD2-CG1 4.34Å; L314-V342 HydrophobicContact CD2-CG2 4.23Å; I338-V342 HydrophobicContact CG2-CG2 4.33Å; I338-V342 VanDerWaalsContact O-CG2 3.3Å; I338-V342 WeakPolarHBondContact O-CG2 3.34Å; I338-V342 PolarHBondContact O-N 2.89Å; Y339-V342 PolarHBondContact O-N 3.16Å; N340-V342 VanDerWaalsContact C-N 3.29Å; N340-V342 PolarHBondContact O-N 3.41Å; V342-D344 VanDerWaalsContact C-N 3.29Å; V342-D344 PolarHBondContact O-N 3.05Å; V342-H345 PolarHBondContact O-N 2.51Å; V342-H345 VanDerWaalsContact O-N 3.14Å; V342-L346 WeakPolarHBondContact O-CG 3.31Å; V342-L346 PolarHBondContact O-N 3.33Å
343	I	87.9	Confident	88.7	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-40.7	-179.4	-67.7	-60.5	0	0	0	112	L287 Y339 N340 H345 L346 S379 K382	L287-I343 HydrophobicContact CD1-CD1 3.58Å; Y339-I343 HydrophobicContact CD1-CG1 4.36Å; Y339-I343 HydrophobicContact CD2-CG1 4.07Å; Y339-I343 HydrophobicContact CE1-CG1 3.9Å; Y339-I343 HydrophobicContact CE2-CD1 3.81Å; Y339-I343 HydrophobicContact CE2-CG1 3.58Å; Y339-I343 HydrophobicContact CG-CG1 4.44Å; Y339-I343 VanDerWaalsContact CZ-CG1 3.47Å; Y339-I343 WeakPolarHBondContact O-CG1 3.2Å; Y339-I343 PolarHBondContact O-N 3.49Å; N340-I343 PolarHBondContact O-N 3.32Å; I343-H345 VanDerWaalsContact C-N 3.29Å; I343-H345 PolarHBondContact O-N 3.25Å; I343-L346 HydrophobicContact CD1-CD1 3.91Å; I343-L346 PolarHBondContact O-N 3.23Å; I343-S379 WeakPolarHBondContact CG2-O 3.36Å; I343-K382 WeakPolarHBondContact O-CD 3.39Å; I343-K382 PolarHBondContact O-NZ 2.85Å
344	D	86.5	Confident	88.6	Confident	97 Å²	97	55.6 Å²	55.6	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-34.3	180	-71.2	-19.4	0	0	0	112.1	N340 V342 K382	N340-D344 WeakPolarHBondContact O-CB 3.5Å; N340-D344 VanDerWaalsContact O-CG 3.28Å; N340-D344 PolarHBondContact O-N 2.85Å; V342-D344 VanDerWaalsContact C-N 3.29Å; V342-D344 PolarHBondContact O-N 3.05Å; D344-K382 PolarHBondContact O-NZ 3.15Å
345	H	87.1	Confident	88.4	Confident	101 Å²	101	58.9 Å²	58.9	47%	0.468	31%	0.305	S	S	.	.	H	α-helix	trans	-89.2	-7.5	179.8	-69.2	80	0	0	0	114.5	L314 L328 H341 V342 I343	L314-H345 HydrophobicContact CD2-CB 4.13Å; L328-H345 HydrophobicContact CD2-CB 4.27Å; H341-H345 PolarHBondContact O-N 2.74Å; H341-H345 PolarHBondContact O-ND1 3.22Å; V342-H345 PolarHBondContact O-N 2.51Å; V342-H345 VanDerWaalsContact O-N 3.14Å; I343-H345 VanDerWaalsContact C-N 3.29Å; I343-H345 PolarHBondContact O-N 3.25Å
346	L	84.3	Confident	88.5	Confident	26 Å²	26	59.1 Å²	59.1	14%	0.136	31%	0.307	C	S	.	.	S	Bend	trans	-63.9	146.6	169.9	-73.1	179.3	0	0	0	110.7	L287 V288 V342 I343 K382	L287-L346 HydrophobicContact CB-CD1 4.15Å; L287-L346 HydrophobicContact CD1-CD1 3.86Å; L287-L346 HydrophobicContact CD2-CD1 4.01Å; L287-L346 HydrophobicContact CG-CD1 4.25Å; V288-L346 HydrophobicContact CG2-CD2 3.9Å; V342-L346 WeakPolarHBondContact O-CG 3.31Å; V342-L346 PolarHBondContact O-N 3.33Å; I343-L346 HydrophobicContact CD1-CD1 3.91Å; I343-L346 PolarHBondContact O-N 3.23Å; L346-K382 HydrophobicContact CB-CD 3.83Å; L346-K382 PolarHBondContact O-NZ 3.5Å
347	P	81.7	Confident	88.8	Confident	95 Å²	95	54.3 Å²	54.3	62%	0.617	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-56.9	144.3	176.7	25.2	-33.9	0	0	0	110.8
348	D	83.9	Confident	88.7	Confident	70 Å²	70	55.8 Å²	55.8	37%	0.374	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-72.1	163.4	174.9	-163.2	12.1	0	0	0	110.9	R397	D348-R397 IonicContact OD2-CZ 2.95Å; D348-R397 IonicContact OD2-NE 3.41Å; D348-R397 PolarHBondContact OD2-NE 2.73Å; D348-R397 IonicContact OD2-NH1 3.05Å; D348-R397 PolarHBondContact OD2-NH1 2.93Å; D348-R397 IonicContact OD2-NH2 3.19Å; D348-R397 PolarHBondContact OD2-NH2 3.43Å
349	L	88.3	Confident	88.5	Confident	10 Å²	10	63.7 Å²	63.7	5%	0.052	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-59.8	142.2	177.5	-60	-178.4	0	0	0	110.9	L351 V395 R397	L349-L351 PolarHBondContact O-N 2.62Å; L349-V395 HydrophobicContact CD1-CG1 4.03Å; L349-V395 HydrophobicContact CD2-CB 4.32Å; L349-V395 HydrophobicContact CD2-CG1 3.74Å; L349-V395 HydrophobicContact CG-CG1 4.49Å; L349-R397 HydrophobicContact CB-CB 4.3Å; L349-R397 HydrophobicContact CB-CG 4.12Å; L349-R397 PolarHBondContact O-NE 2.92Å; L349-R397 VanDerWaalsContact O-NE 3.13Å
350	E	90.9	Very high	88.5	Confident	94 Å²	94	65.4 Å²	65.4	44%	0.439	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	124.6	179.4	-174.3	174.3	-152.4	0	0	110.8	L352 K360 W366 G396 R397	E350-L352 HydrophobicContact CG-CD2 4.47Å; E350-L352 PolarHBondContact O-N 2.91Å; E350-K360 IonicContact OE1-NZ 2.55Å; E350-K360 PolarHBondContact OE1-NZ 2.89Å; E350-K360 IonicContact OE2-NZ 2.76Å; E350-K360 PolarHBondContact OE2-NZ 3.03Å; E350-W366 WeakPolarHBondContact OE2-CH2 3.25Å; E350-G396 CarbonylContact O-C 3.41Å; E350-G396 VanDerWaalsContact O-CA 3.28Å; E350-G396 WeakPolarHBondContact O-CA 3.48Å; E350-R397 PolarHBondContact O-N 3.34Å
351	L	92.4	Very high	88.6	Confident	86 Å²	86	61.7 Å²	61.7	45%	0.45	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119.1	175.9	-177.3	66.4	0	0	0	109.7	L349 R397 D399	L349-L351 PolarHBondContact O-N 2.62Å; L351-R397 HydrophobicContact CD1-CG 4.14Å; L351-D399 HydrophobicContact CD1-CB 4.36Å
352	L	93	Very high	88.2	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.314	C	S	.	.			trans	-97.4	114.9	177.6	-60.4	176.3	0	0	0	109.7	E350 F357 K360 W366 I368 R397 V398	E350-L352 HydrophobicContact CG-CD2 4.47Å; E350-L352 PolarHBondContact O-N 2.91Å; L352-F357 HydrophobicContact CB-CD2 4.23Å; L352-F357 HydrophobicContact CD1-CD2 4.29Å; L352-K360 HydrophobicContact CD2-CD 3.61Å; L352-W366 HydrophobicContact CD1-CD2 4.42Å; L352-W366 HydrophobicContact CD1-CE3 3.84Å; L352-W366 HydrophobicContact CD1-CZ3 4.1Å; L352-W366 HydrophobicContact CD2-CH2 4.25Å; L352-W366 HydrophobicContact CD2-CZ3 4.06Å; L352-I368 HydrophobicContact CD1-CD1 3.83Å; L352-I368 HydrophobicContact CD1-CG1 4.14Å; L352-R397 PolarHBondContact N-O 2.88Å; L352-V398 HydrophobicContact CB-CG2 4.03Å
353	T	91.5	Very high	87.8	Confident	61 Å²	61	66.7 Å²	66.7	37%	0.374	35%	0.346	S	S	.	.			trans	-85	162.8	169.9	65.2	0	0	0	0	111.3	D355 S356 F357 D403	T353-D355 PolarHBondContact O-N 3.04Å; T353-D355 VanDerWaalsContact O-N 3.1Å; T353-S356 PolarHBondContact N-OG 3.32Å; T353-S356 PolarHBondContact O-N 3.47Å; T353-S356 PolarHBondContact O-OG 3.38Å; T353-S356 PolarHBondContact OG1-OG 3.47Å; T353-F357 VanDerWaalsContact O-CB 3.25Å; T353-F357 WeakPolarHBondContact O-CB 3.29Å; T353-F357 PolarHBondContact O-N 2.95Å; T353-D403 WeakPolarHBondContact CA-OD2 3.47Å
354	S	88.9	Confident	87.9	Confident	41 Å²	41	71.3 Å²	71.3	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-44.4	-42.7	175	-66.5	0	0	0	0	114.5	D403	S354-D403 PolarHBondContact N-OD2 2.92Å; S354-D403 VanDerWaalsContact OG-CG 3.26Å; S354-D403 PolarHBondContact OG-OD1 3.44Å
355	D	85.8	Confident	88.3	Confident	146 Å²	146	70.1 Å²	70.1	78%	0.781	36%	0.356	S	S	*	.	H	α-helix	trans	-69.3	-45.7	179.1	-68.9	-29	0	0	0	112.8	T353	T353-D355 PolarHBondContact O-N 3.04Å; T353-D355 VanDerWaalsContact O-N 3.1Å
356	S	91.3	Very high	88.8	Confident	26 Å²	26	65.8 Å²	65.8	18%	0.182	34%	0.336	C	S	.	.	H	α-helix	trans	-73.3	-31.8	-178.2	71.3	0	0	0	0	112.2	T353 K359 K360	T353-S356 PolarHBondContact N-OG 3.32Å; T353-S356 PolarHBondContact O-N 3.47Å; T353-S356 PolarHBondContact O-OG 3.38Å; T353-S356 PolarHBondContact OG1-OG 3.47Å; S356-K359 PolarHBondContact O-N 3.34Å; S356-K360 VanDerWaalsContact O-CB 3.27Å; S356-K360 WeakPolarHBondContact O-CB 3.4Å; S356-K360 VanDerWaalsContact O-CG 3.28Å; S356-K360 WeakPolarHBondContact O-CG 3.29Å; S356-K360 PolarHBondContact O-N 3.03Å
357	F	90.7	Very high	89.3	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-58.9	-174.5	-173.2	-90.1	0	0	0	111.2	L352 T353 K359 K360 L361 I368 F370 V398 L406 L410 F420 I425	L352-F357 HydrophobicContact CB-CD2 4.23Å; L352-F357 HydrophobicContact CD1-CD2 4.29Å; T353-F357 VanDerWaalsContact O-CB 3.25Å; T353-F357 WeakPolarHBondContact O-CB 3.29Å; T353-F357 PolarHBondContact O-N 2.95Å; F357-K359 VanDerWaalsContact C-N 3.33Å; F357-K359 PolarHBondContact O-N 3.41Å; F357-K360 PolarHBondContact O-N 3.41Å; F357-L361 HydrophobicContact CD1-CD1 4.49Å; F357-L361 HydrophobicContact CD1-CD2 3.91Å; F357-L361 HydrophobicContact CD2-CD1 4.22Å; F357-L361 HydrophobicContact CD2-CD2 4.47Å; F357-L361 HydrophobicContact CE1-CD2 3.39Å; F357-L361 HydrophobicContact CE2-CD1 4.38Å; F357-L361 HydrophobicContact CE2-CD2 4.03Å; F357-L361 HydrophobicContact CG-CD1 4.28Å; F357-L361 HydrophobicContact CG-CD2 4.42Å; F357-L361 HydrophobicContact CZ-CD2 3.45Å; F357-L361 VanDerWaalsContact CZ-CD2 3.45Å; F357-L361 WeakPolarHBondContact O-CB 3.23Å; F357-L361 WeakPolarHBondContact O-CD1 3.39Å; F357-L361 PolarHBondContact O-N 3.37Å; F357-I368 HydrophobicContact CD2-CD1 4.04Å; F357-I368 HydrophobicContact CE2-CD1 3.32Å; F357-I368 HydrophobicContact CZ-CD1 3.98Å; F357-F370 HydrophobicContact CE2-CE1 4.43Å; F357-F370 HydrophobicContact CE2-CZ 4.1Å; F357-F370 HydrophobicContact CZ-CZ 4.22Å; F357-V398 HydrophobicContact CD2-CG2 3.97Å; F357-V398 HydrophobicContact CE2-CG2 3.99Å; F357-L406 HydrophobicContact CB-CD2 4.22Å; F357-L406 HydrophobicContact CD1-CD1 3.68Å; F357-L406 HydrophobicContact CD1-CD2 4.37Å; F357-L406 HydrophobicContact CD2-CD2 3.91Å; F357-L406 HydrophobicContact CE1-CD1 3.84Å; F357-L406 HydrophobicContact CE2-CD2 4.3Å; F357-L406 HydrophobicContact CG-CD1 4.09Å; F357-L406 HydrophobicContact CG-CD2 3.94Å; F357-L406 HydrophobicContact CZ-CD1 4.4Å; F357-L410 HydrophobicContact CE1-CD1 4.21Å; F357-L410 HydrophobicContact CZ-CD1 3.85Å; F357-F420 HydrophobicContact CZ-CE1 4.1Å; F357-F420 HydrophobicContact CZ-CE2 4.1Å; F357-F420 AromaticContact CZ-CZ 3.69Å; F357-F420 HydrophobicContact CZ-CZ 3.69Å; F357-I425 HydrophobicContact CD1-CG2 4.12Å; F357-I425 HydrophobicContact CE1-CG2 3.82Å
358	K	86.9	Confident	90	Very high	135 Å²	135	60.1 Å²	60.1	59%	0.587	30%	0.3	S	S	*	.	H	α-helix	trans	-60.5	-42.7	-178.3	-69	-179.9	-177.7	172.4	0	112.1	A362 I425	K358-A362 PolarHBondContact O-N 2.93Å; K358-I425 HydrophobicContact CG-CG2 4.26Å
359	K	88.6	Confident	90.5	Very high	165 Å²	165	57.3 Å²	57.3	72%	0.717	29%	0.286	S	S	*	.	H	α-helix	trans	-63.1	-43.4	-179.6	-176.6	179.6	177.2	-178.3	0	112	S356 F357	S356-K359 PolarHBondContact O-N 3.34Å; F357-K359 VanDerWaalsContact C-N 3.33Å; F357-K359 PolarHBondContact O-N 3.41Å
360	K	90.8	Very high	90.7	Very high	52 Å²	52	56.9 Å²	56.9	23%	0.226	28%	0.284	C	S	.	.	H	α-helix	trans	-76.7	-34.5	-176.1	-75.9	176.2	167.5	-174.4	0	113.3	E350 L352 S356 F357 A362 H364 W366	E350-K360 IonicContact OE1-NZ 2.55Å; E350-K360 PolarHBondContact OE1-NZ 2.89Å; E350-K360 IonicContact OE2-NZ 2.76Å; E350-K360 PolarHBondContact OE2-NZ 3.03Å; L352-K360 HydrophobicContact CD2-CD 3.61Å; S356-K360 VanDerWaalsContact O-CB 3.27Å; S356-K360 WeakPolarHBondContact O-CB 3.4Å; S356-K360 VanDerWaalsContact O-CG 3.28Å; S356-K360 WeakPolarHBondContact O-CG 3.29Å; S356-K360 PolarHBondContact O-N 3.03Å; F357-K360 PolarHBondContact O-N 3.41Å; K360-A362 VanDerWaalsContact C-N 3.25Å; K360-A362 PolarHBondContact O-N 3.04Å; K360-H364 PolarHBondContact O-N 3.14Å; K360-W366 HydrophobicContact CB-CZ2 3.74Å; K360-W366 HydrophobicContact CD-CH2 3.93Å; K360-W366 HydrophobicContact CD-CZ2 3.73Å; K360-W366 HydrophobicContact CG-CZ2 4.03Å; K360-W366 PolarHBondContact O-NE1 3.47Å
361	L	89	Confident	90.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-75.9	-14	-179.9	-86.3	66.2	0	0	0	113.2	F357 H363 W366 I368 F420 G424 I425	F357-L361 HydrophobicContact CD1-CD1 4.49Å; F357-L361 HydrophobicContact CD1-CD2 3.91Å; F357-L361 HydrophobicContact CD2-CD1 4.22Å; F357-L361 HydrophobicContact CD2-CD2 4.47Å; F357-L361 HydrophobicContact CE1-CD2 3.39Å; F357-L361 HydrophobicContact CE2-CD1 4.38Å; F357-L361 HydrophobicContact CE2-CD2 4.03Å; F357-L361 HydrophobicContact CG-CD1 4.28Å; F357-L361 HydrophobicContact CG-CD2 4.42Å; F357-L361 HydrophobicContact CZ-CD2 3.45Å; F357-L361 VanDerWaalsContact CZ-CD2 3.45Å; F357-L361 WeakPolarHBondContact O-CB 3.23Å; F357-L361 WeakPolarHBondContact O-CD1 3.39Å; F357-L361 PolarHBondContact O-N 3.37Å; L361-H363 VanDerWaalsContact C-N 3.26Å; L361-H363 PolarHBondContact O-N 3.29Å; L361-W366 HydrophobicContact CD1-CB 4.18Å; L361-W366 HydrophobicContact CD1-CD2 4.38Å; L361-W366 HydrophobicContact CD1-CG 3.82Å; L361-W366 HydrophobicContact CG-CB 4.42Å; L361-W366 HydrophobicContact CG-CG 4.33Å; L361-I368 HydrophobicContact CD1-CD1 3.92Å; L361-I368 HydrophobicContact CD2-CD1 4.19Å; L361-I368 HydrophobicContact CG-CD1 4.47Å; L361-F420 HydrophobicContact CD2-CB 3.97Å; L361-F420 HydrophobicContact CD2-CD1 3.31Å; L361-F420 HydrophobicContact CD2-CD2 3.93Å; L361-F420 HydrophobicContact CD2-CE1 3.72Å; L361-F420 HydrophobicContact CD2-CE2 4.29Å; L361-F420 HydrophobicContact CD2-CG 3.44Å; L361-F420 VanDerWaalsContact CD2-CG 3.44Å; L361-F420 HydrophobicContact CD2-CZ 4.19Å; L361-F420 HydrophobicContact CG-CB 4.15Å; L361-F420 HydrophobicContact CG-CD1 4.36Å; L361-F420 HydrophobicContact CG-CG 4.14Å; L361-G424 WeakPolarHBondContact O-CA 3.33Å; L361-G424 PolarHBondContact O-N 2.89Å; L361-G424 VanDerWaalsContact O-N 3.12Å; L361-I425 HydrophobicContact CD2-CG2 4.27Å
362	A	82.8	Confident	90.5	Very high	44 Å²	44	51.2 Å²	51.2	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.7	177.8	0	0	0	0	0	113.9	K358 K360	K358-A362 PolarHBondContact O-N 2.93Å; K360-A362 VanDerWaalsContact C-N 3.25Å; K360-A362 PolarHBondContact O-N 3.04Å
363	H	82.2	Confident	89.5	Confident	146 Å²	146	55.7 Å²	55.7	68%	0.676	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-15.9	-169.5	-58.5	-53.4	0	0	0	114.7	L361	L361-H363 VanDerWaalsContact C-N 3.26Å; L361-H363 PolarHBondContact O-N 3.29Å
364	H	89.6	Confident	87.9	Confident	101 Å²	101	55.8 Å²	55.8	47%	0.468	30%	0.299	S	S	.	.	S	Bend	trans	-131.9	155.1	-175.3	-61.1	-67.6	0	0	0	111.3	K360 Q394 G422	K360-H364 PolarHBondContact O-N 3.14Å; H364-Q394 HydrophobicContact CB-CG 4.45Å; H364-G422 VanDerWaalsContact O-CA 3.27Å; H364-G422 WeakPolarHBondContact O-CA 3.48Å
365	R	95.3	Very high	86.3	Confident	72 Å²	72	63.7 Å²	63.7	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.9	170.1	-64.2	166.1	178.6	178.8	-4.5	108.9	D391 I393 Q394 F420 V448	R365-D391 PolarHBondContact NH1-O 2.87Å; R365-I393 HydrophobicContact CB-CB 4.27Å; R365-I393 HydrophobicContact CB-CG1 4.04Å; R365-I393 HydrophobicContact CB-CG2 4.24Å; R365-Q394 PolarHBondContact O-N 2.84Å; R365-F420 VanDerWaalsContact CA-O 3.27Å; R365-F420 WeakPolarHBondContact CA-O 3.47Å; R365-V448 HydrophobicContact CB-CG1 4.42Å; R365-V448 HydrophobicContact CG-CG1 4.35Å
366	W	96.2	Very high	84.8	Confident	10 Å²	10	60.5 Å²	60.5	4%	0.038	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.6	-178.2	-73.9	86.1	0	0	0	111.1	E350 L352 K360 L361 I368 Q394 V419 F420	E350-W366 WeakPolarHBondContact OE2-CH2 3.25Å; L352-W366 HydrophobicContact CD1-CD2 4.42Å; L352-W366 HydrophobicContact CD1-CE3 3.84Å; L352-W366 HydrophobicContact CD1-CZ3 4.1Å; L352-W366 HydrophobicContact CD2-CH2 4.25Å; L352-W366 HydrophobicContact CD2-CZ3 4.06Å; K360-W366 HydrophobicContact CB-CZ2 3.74Å; K360-W366 HydrophobicContact CD-CH2 3.93Å; K360-W366 HydrophobicContact CD-CZ2 3.73Å; K360-W366 HydrophobicContact CG-CZ2 4.03Å; K360-W366 PolarHBondContact O-NE1 3.47Å; L361-W366 HydrophobicContact CD1-CB 4.18Å; L361-W366 HydrophobicContact CD1-CD2 4.38Å; L361-W366 HydrophobicContact CD1-CG 3.82Å; L361-W366 HydrophobicContact CG-CB 4.42Å; L361-W366 HydrophobicContact CG-CG 4.33Å; W366-I368 HydrophobicContact CB-CD1 3.94Å; W366-I368 HydrophobicContact CB-CG1 3.82Å; W366-Q394 CarbonylContact C-O 3.59Å; W366-Q394 WeakPolarHBondContact CA-O 3.35Å; W366-Q394 HydrophobicContact CD2-CB 3.63Å; W366-Q394 HydrophobicContact CD2-CG 4.48Å; W366-Q394 HydrophobicContact CE3-CB 3.57Å; W366-Q394 HydrophobicContact CG-CB 4.34Å; W366-Q394 HydrophobicContact CH2-CB 3.72Å; W366-Q394 HydrophobicContact CH2-CG 4.26Å; W366-Q394 HydrophobicContact CZ2-CB 3.79Å; W366-Q394 HydrophobicContact CZ2-CG 4Å; W366-Q394 HydrophobicContact CZ3-CB 3.62Å; W366-V419 CarbonylContact O-C 3.58Å; W366-V419 WeakPolarHBondContact O-CA 3.18Å; W366-F420 HydrophobicContact CB-CB 4.43Å; W366-F420 PolarHBondContact N-O 3.17Å; W366-F420 PolarHBondContact O-N 3.36Å
367	L	96.3	Very high	83.3	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120	161.5	-174.1	70.8	0	0	0	108	L384 L388 I393 Q394 V395 G396 V417 V419 I440 A444	L367-L384 HydrophobicContact CD2-CD1 3.88Å; L367-L384 HydrophobicContact CD2-CD2 4.04Å; L367-L384 HydrophobicContact CD2-CG 4.39Å; L367-L388 HydrophobicContact CB-CD1 4.21Å; L367-L388 HydrophobicContact CD2-CD1 3.49Å; L367-L388 VanDerWaalsContact CD2-CD1 3.49Å; L367-L388 HydrophobicContact CG-CD1 4.46Å; L367-I393 HydrophobicContact CB-CG2 3.95Å; L367-Q394 PolarHBondContact N-O 3.19Å; L367-V395 HydrophobicContact CB-CG2 4.48Å; L367-V395 WeakPolarHBondContact O-CA 3.18Å; L367-G396 PolarHBondContact O-N 3.44Å; L367-V417 HydrophobicContact CD1-CG1 3.42Å; L367-V417 VanDerWaalsContact CD1-CG1 3.42Å; L367-V417 HydrophobicContact CD2-CG1 4.36Å; L367-V417 HydrophobicContact CG-CG1 3.83Å; L367-V419 HydrophobicContact CD1-CB 3.82Å; L367-V419 HydrophobicContact CD1-CG2 4.19Å; L367-I440 HydrophobicContact CD1-CG2 4.38Å; L367-I440 HydrophobicContact CD2-CG2 3.7Å; L367-A444 HydrophobicContact CD1-CB 3.99Å; L367-A444 HydrophobicContact CD2-CB 4.36Å
368	I	95.4	Very high	82.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.4	-170.9	-53.9	-179.5	0	0	0	109.5	L352 F357 L361 W366 F370 G396 V398 V417 A418 F420	L352-I368 HydrophobicContact CD1-CD1 3.83Å; L352-I368 HydrophobicContact CD1-CG1 4.14Å; F357-I368 HydrophobicContact CD2-CD1 4.04Å; F357-I368 HydrophobicContact CE2-CD1 3.32Å; F357-I368 HydrophobicContact CZ-CD1 3.98Å; L361-I368 HydrophobicContact CD1-CD1 3.92Å; L361-I368 HydrophobicContact CD2-CD1 4.19Å; L361-I368 HydrophobicContact CG-CD1 4.47Å; W366-I368 HydrophobicContact CB-CD1 3.94Å; W366-I368 HydrophobicContact CB-CG1 3.82Å; I368-F370 HydrophobicContact CB-CD2 4.45Å; I368-F370 HydrophobicContact CB-CE2 3.84Å; I368-F370 HydrophobicContact CB-CZ 4.3Å; I368-F370 HydrophobicContact CG2-CD2 4.07Å; I368-F370 HydrophobicContact CG2-CE1 4.36Å; I368-F370 HydrophobicContact CG2-CE2 3.64Å; I368-F370 HydrophobicContact CG2-CZ 3.82Å; I368-G396 WeakPolarHBondContact CA-O 3.47Å; I368-V398 HydrophobicContact CG2-CB 4.29Å; I368-V398 HydrophobicContact CG2-CG2 3.65Å; I368-V417 WeakPolarHBondContact O-CA 3.32Å; I368-A418 PolarHBondContact N-O 3.42Å; I368-A418 PolarHBondContact O-N 3.31Å; I368-F420 HydrophobicContact CB-CE2 4.31Å; I368-F420 HydrophobicContact CD1-CD2 3.53Å; I368-F420 HydrophobicContact CD1-CE2 3.57Å; I368-F420 HydrophobicContact CD1-CG 4.48Å; I368-F420 HydrophobicContact CG1-CD2 4.01Å; I368-F420 HydrophobicContact CG1-CE2 4.16Å
369	S	94.2	Very high	81.7	Confident	11 Å²	11	58.9 Å²	58.9	8%	0.077	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.2	170.2	-177.4	0	0	0	0	109.9	G396 R397 V398	S369-G396 PolarHBondContact N-O 2.8Å; S369-R397 CarbonylContact O-C 3.59Å; S369-R397 VanDerWaalsContact O-CA 3.24Å; S369-R397 WeakPolarHBondContact O-CA 3.43Å; S369-V398 PolarHBondContact O-N 3.31Å
370	F	93.5	Very high	81.2	Confident	1 Å²	1	54.1 Å²	54.1	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.7	174.4	-67.6	-92.6	0	0	0	109.4	F357 I368 V398 L410 I412 P415 C416 A418 F420	F357-F370 HydrophobicContact CE2-CE1 4.43Å; F357-F370 HydrophobicContact CE2-CZ 4.1Å; F357-F370 HydrophobicContact CZ-CZ 4.22Å; I368-F370 HydrophobicContact CB-CD2 4.45Å; I368-F370 HydrophobicContact CB-CE2 3.84Å; I368-F370 HydrophobicContact CB-CZ 4.3Å; I368-F370 HydrophobicContact CG2-CD2 4.07Å; I368-F370 HydrophobicContact CG2-CE1 4.36Å; I368-F370 HydrophobicContact CG2-CE2 3.64Å; I368-F370 HydrophobicContact CG2-CZ 3.82Å; F370-V398 HydrophobicContact CD1-CB 3.73Å; F370-V398 HydrophobicContact CD1-CG1 3.89Å; F370-V398 HydrophobicContact CD1-CG2 4.32Å; F370-V398 HydrophobicContact CE1-CB 3.89Å; F370-V398 HydrophobicContact CE1-CG1 4.02Å; F370-V398 HydrophobicContact CE1-CG2 3.98Å; F370-L410 HydrophobicContact CE1-CD1 4.05Å; F370-L410 HydrophobicContact CZ-CD1 3.91Å; F370-I412 HydrophobicContact CB-CG2 3.89Å; F370-I412 HydrophobicContact CD1-CD1 3.75Å; F370-I412 HydrophobicContact CD1-CG2 4.32Å; F370-I412 HydrophobicContact CD2-CD1 3.64Å; F370-I412 HydrophobicContact CE1-CD1 3.68Å; F370-I412 HydrophobicContact CE2-CD1 3.57Å; F370-I412 HydrophobicContact CG-CD1 3.73Å; F370-I412 HydrophobicContact CG-CG2 4.09Å; F370-I412 HydrophobicContact CZ-CD1 3.58Å; F370-P415 VanDerWaalsContact O-CA 3.25Å; F370-P415 WeakPolarHBondContact O-CA 3.23Å; F370-C416 PolarHBondContact N-O 3.23Å; F370-C416 PolarHBondContact O-N 3.02Å; F370-A418 HydrophobicContact CD2-CB 4.45Å; F370-A418 HydrophobicContact CE2-CB 3.95Å; F370-F420 HydrophobicContact CE2-CE2 4.12Å; F370-F420 HydrophobicContact CZ-CE2 4.12Å; F370-F420 HydrophobicContact CZ-CZ 4.21Å
371	M	91.1	Very high	80.9	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.059	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151	-174.1	-55.1	-174.5	-50.5	0	0	111.2	A377 R397 V398 C400	M371-A377 HydrophobicContact SD-CB 4.08Å; M371-A377 PolarHBondContact SD-N 3.46Å; M371-A377 VanDerWaalsContact SD-N 3.42Å; M371-R397 HydrophobicContact CE-CB 4.38Å; M371-R397 HydrophobicContact CE-CG 4.42Å; M371-V398 PolarHBondContact N-O 3.16Å; M371-C400 WeakPolarHBondContact O-CB 3.44Å; M371-C400 PolarHBondContact O-N 3.15Å
372	F	88	Confident	80.7	Confident	50 Å²	50	53.5 Å²	53.5	22%	0.219	30%	0.296	C	S	.	.	S	Bend	trans	-128.3	145.2	173.6	-70.5	-104	0	0	0	108.6	G374 C400 I412 H413 K414 P415	F372-G374 PolarHBondContact O-N 3Å; F372-C400 HydrophobicContact CD1-CB 4.02Å; F372-C400 HydrophobicContact CD2-CB 4.15Å; F372-C400 HydrophobicContact CE1-CB 3.58Å; F372-C400 HydrophobicContact CE2-CB 3.71Å; F372-C400 HydrophobicContact CG-CB 4.29Å; F372-C400 HydrophobicContact CZ-CB 3.4Å; F372-I412 HydrophobicContact CE2-CG2 4.09Å; F372-I412 HydrophobicContact CZ-CG2 4.35Å; F372-H413 VanDerWaalsContact CZ-C 3.48Å; F372-K414 VanDerWaalsContact CD2-C 3.49Å; F372-K414 WeakPolarHBondContact CE2-O 3.34Å; F372-P415 HydrophobicContact CB-CG 4.15Å; F372-P415 HydrophobicContact CD2-CG 3.93Å; F372-P415 HydrophobicContact CG-CG 4.46Å
373	S	72	Confident	80.8	Confident	94 Å²	94	51.9 Å²	51.9	66%	0.657	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	25.2	171.6	67.9	0	0	0	0	117.3	R375 V401	S373-R375 PolarHBondContact O-N 3.47Å; S373-R375 VanDerWaalsContact O-N 3.09Å; S373-V401 VanDerWaalsContact N-CG2 3.31Å
374	G	57.3	Low	81.2	Confident	64 Å²	64	45 Å²	45	66%	0.66	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	7.2	174.1	0	0	0	0	0	115.6	F372 S376	F372-G374 PolarHBondContact O-N 3Å; G374-S376 PolarHBondContact O-N 3.46Å; G374-S376 VanDerWaalsContact O-N 3.09Å
375	R	55.4	Low	81	Confident	207 Å²	207	44.8 Å²	44.8	78%	0.781	25%	0.248	S	C	*	.			trans	-66.6	109.5	165.6	-76.5	-172.8	177.7	-176.4	0	107.6	S373	S373-R375 PolarHBondContact O-N 3.47Å; S373-R375 VanDerWaalsContact O-N 3.09Å
376	S	54.3	Low	80.5	Confident	78 Å²	78	42 Å²	42	55%	0.545	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-56.7	140.2	173.1	-169.8	0	0	0	0	109.3	G374	G374-S376 PolarHBondContact O-N 3.46Å; G374-S376 VanDerWaalsContact O-N 3.09Å
377	A	60.8	Low	79.9	Confident	17 Å²	17	43.5 Å²	43.5	14%	0.14	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-51.4	152.5	163.9	0	0	0	0	0	109.8	M371 S379 Y381	M371-A377 HydrophobicContact SD-CB 4.08Å; M371-A377 PolarHBondContact SD-N 3.46Å; M371-A377 VanDerWaalsContact SD-N 3.42Å; A377-S379 PolarHBondContact O-N 3.01Å; A377-Y381 HydrophobicContact CB-CD2 3.64Å; A377-Y381 HydrophobicContact CB-CE2 4.16Å; A377-Y381 HydrophobicContact CB-CG 4.19Å
378	S	70.3	Confident	79.6	Confident	57 Å²	57	43.4 Å²	43.4	40%	0.399	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-47.3	135.4	175.7	175.4	0	0	0	0	109.8	E380 Y381	S378-E380 PolarHBondContact O-N 2.89Å; S378-E380 PolarHBondContact OG-N 3.48Å; S378-Y381 VanDerWaalsContact O-CB 3.32Å; S378-Y381 WeakPolarHBondContact O-CB 3.4Å; S378-Y381 PolarHBondContact O-N 2.84Å
379	S	73	Confident	79.2	Confident	54 Å²	54	48.4 Å²	48.4	38%	0.378	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-58.4	-22	177.7	58.1	0	0	0	0	111.9	I343 A377 Y381 K382	I343-S379 WeakPolarHBondContact CG2-O 3.36Å; A377-S379 PolarHBondContact O-N 3.01Å; S379-Y381 PolarHBondContact O-N 3.47Å; S379-K382 WeakPolarHBondContact O-CB 3.46Å; S379-K382 WeakPolarHBondContact O-CG 3.35Å; S379-K382 PolarHBondContact O-N 3.38Å
380	E	77.3	Confident	78.7	Confident	65 Å²	65	54.4 Å²	54.4	30%	0.304	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-64.1	-21.3	171.5	-62.3	-164.5	120.8	0	0	113.6	R181 S378 K382 K383	R181-E380 IonicContact NH2-OE1 3.06Å; S378-E380 PolarHBondContact O-N 2.89Å; S378-E380 PolarHBondContact OG-N 3.48Å; E380-K382 PolarHBondContact O-N 3.37Å; E380-K382 VanDerWaalsContact O-N 3.16Å; E380-K383 VanDerWaalsContact O-CB 3.23Å; E380-K383 WeakPolarHBondContact O-CB 3.45Å; E380-K383 PolarHBondContact O-N 3.46Å
381	Y	84.9	Confident	78.4	Confident	12 Å²	12	55.5 Å²	55.5	5%	0.047	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-66.3	-19.6	179.8	-78.5	22.2	0	0	0	112.1	A377 S378 S379 K383 L384 V417 D435 I440	A377-Y381 HydrophobicContact CB-CD2 3.64Å; A377-Y381 HydrophobicContact CB-CE2 4.16Å; A377-Y381 HydrophobicContact CB-CG 4.19Å; S378-Y381 VanDerWaalsContact O-CB 3.32Å; S378-Y381 WeakPolarHBondContact O-CB 3.4Å; S378-Y381 PolarHBondContact O-N 2.84Å; S379-Y381 PolarHBondContact O-N 3.47Å; Y381-K383 PolarHBondContact O-N 2.89Å; Y381-L384 HydrophobicContact CD1-CD1 4.3Å; Y381-L384 HydrophobicContact CD2-CD1 4.03Å; Y381-L384 HydrophobicContact CG-CD1 3.81Å; Y381-L384 WeakPolarHBondContact O-CB 3.31Å; Y381-L384 WeakPolarHBondContact O-CG 3.38Å; Y381-L384 PolarHBondContact O-N 2.85Å; Y381-V417 HydrophobicContact CE2-CG2 3.93Å; Y381-D435 VanDerWaalsContact OH-CG 3.23Å; Y381-D435 PolarHBondContact OH-OD1 2.84Å; Y381-D435 PolarHBondContact OH-OD2 3.34Å; Y381-I440 HydrophobicContact CE1-CD1 3.83Å; Y381-I440 HydrophobicContact CE2-CD1 4.38Å; Y381-I440 WeakPolarHBondContact OH-CD1 3.32Å
382	K	85.2	Confident	78.4	Confident	27 Å²	27	61.7 Å²	61.7	12%	0.117	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58.5	-25.7	170.2	-59	-177.1	-172.2	-179.4	0	112.1	I343 D344 L346 S379 E380 L384	I343-K382 WeakPolarHBondContact O-CD 3.39Å; I343-K382 PolarHBondContact O-NZ 2.85Å; D344-K382 PolarHBondContact O-NZ 3.15Å; L346-K382 HydrophobicContact CB-CD 3.83Å; L346-K382 PolarHBondContact O-NZ 3.5Å; S379-K382 WeakPolarHBondContact O-CB 3.46Å; S379-K382 WeakPolarHBondContact O-CG 3.35Å; S379-K382 PolarHBondContact O-N 3.38Å; E380-K382 PolarHBondContact O-N 3.37Å; E380-K382 VanDerWaalsContact O-N 3.16Å; K382-L384 VanDerWaalsContact C-N 3.32Å; K382-L384 PolarHBondContact O-N 3.3Å
383	K	85.6	Confident	78.7	Confident	10 Å²	10	59.5 Å²	59.5	4%	0.043	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-69.1	-24.3	172.7	-72.8	-178.9	170.8	-174.1	0	114.4	L287 Y339 E380 Y381 Q385 A386 F387 L437	L287-K383 HydrophobicContact CD1-CG 3.62Å; Y339-K383 WeakPolarHBondContact OH-CE 3.4Å; Y339-K383 PolarHBondContact OH-NZ 3.43Å; E380-K383 VanDerWaalsContact O-CB 3.23Å; E380-K383 WeakPolarHBondContact O-CB 3.45Å; E380-K383 PolarHBondContact O-N 3.46Å; Y381-K383 PolarHBondContact O-N 2.89Å; K383-Q385 PolarHBondContact O-N 3.33Å; K383-A386 WeakPolarHBondContact O-CB 3.29Å; K383-A386 PolarHBondContact O-N 3.09Å; K383-F387 HydrophobicContact CB-CD2 4.09Å; K383-F387 HydrophobicContact CB-CE2 3.86Å; K383-F387 HydrophobicContact CD-CE2 4.25Å; K383-F387 WeakPolarHBondContact O-CD2 3.35Å; K383-F387 PolarHBondContact O-N 3.15Å; K383-F387 VanDerWaalsContact O-N 3.08Å; K383-L437 HydrophobicContact CB-CD1 4.27Å; K383-L437 HydrophobicContact CB-CD2 3.77Å; K383-L437 HydrophobicContact CD-CD2 3.68Å; K383-L437 HydrophobicContact CG-CD2 4.33Å
384	L	88.6	Confident	79.7	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-36.3	-177.7	-68.5	168.4	0	0	0	111.3	L367 Y381 K382 A386 F387 L388 V395 L437 I440 V441	L367-L384 HydrophobicContact CD2-CD1 3.88Å; L367-L384 HydrophobicContact CD2-CD2 4.04Å; L367-L384 HydrophobicContact CD2-CG 4.39Å; Y381-L384 HydrophobicContact CD1-CD1 4.3Å; Y381-L384 HydrophobicContact CD2-CD1 4.03Å; Y381-L384 HydrophobicContact CG-CD1 3.81Å; Y381-L384 WeakPolarHBondContact O-CB 3.31Å; Y381-L384 WeakPolarHBondContact O-CG 3.38Å; Y381-L384 PolarHBondContact O-N 2.85Å; K382-L384 VanDerWaalsContact C-N 3.32Å; K382-L384 PolarHBondContact O-N 3.3Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.04Å; L384-F387 PolarHBondContact O-N 3.4Å; L384-L388 HydrophobicContact CB-CD1 4.43Å; L384-L388 HydrophobicContact CD2-CD1 4.48Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 WeakPolarHBondContact O-CG 3.01Å; L384-L388 PolarHBondContact O-N 3.02Å; L384-V395 HydrophobicContact CB-CB 4.48Å; L384-V395 HydrophobicContact CB-CG1 3.95Å; L384-V395 HydrophobicContact CB-CG2 3.86Å; L384-V395 HydrophobicContact CD1-CG1 4.18Å; L384-L437 HydrophobicContact CD2-CD1 3.43Å; L384-L437 VanDerWaalsContact CD2-CD1 3.43Å; L384-L437 HydrophobicContact CG-CD1 3.59Å; L384-I440 HydrophobicContact CD1-CG2 4.47Å; L384-I440 HydrophobicContact CD2-CG2 3.97Å; L384-V441 HydrophobicContact CD2-CG2 3.64Å
385	Q	86.3	Confident	81.4	Confident	96 Å²	96	56.1 Å²	56.1	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-35.7	179.6	-168.3	176.3	18.7	0	0	112.4	K383 R389 V395	K383-Q385 PolarHBondContact O-N 3.33Å; Q385-R389 WeakPolarHBondContact O-CB 3.46Å; Q385-R389 PolarHBondContact O-N 3.44Å; Q385-V395 HydrophobicContact CB-CG2 4.44Å
386	A	84.6	Confident	83.3	Confident	15 Å²	15	46.3 Å²	46.3	12%	0.124	24%	0.242	C	C	.	.	H	α-helix	trans	-71	-48.6	174.4	0	0	0	0	0	111	G286 L287 K383 L384 L388 R389	G286-A386 WeakPolarHBondContact O-CB 3.44Å; L287-A386 HydrophobicContact CD2-CB 3.9Å; L287-A386 HydrophobicContact CG-CB 4.24Å; K383-A386 WeakPolarHBondContact O-CB 3.29Å; K383-A386 PolarHBondContact O-N 3.09Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.04Å; A386-L388 VanDerWaalsContact C-N 3.35Å; A386-L388 PolarHBondContact O-N 3.1Å; A386-R389 WeakPolarHBondContact O-CB 3.33Å; A386-R389 PolarHBondContact O-N 3.5Å
387	F	84.9	Confident	85.1	Confident	40 Å²	40	45.3 Å²	45.3	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-33.2	-175	-69.9	-42.1	0	0	0	114.1	E148 K383 L384 L437 V441 R445	E148-F387 HydrophobicContact CG-CE1 4.17Å; E148-F387 HydrophobicContact CG-CE2 4.09Å; E148-F387 HydrophobicContact CG-CZ 3.61Å; K383-F387 HydrophobicContact CB-CD2 4.09Å; K383-F387 HydrophobicContact CB-CE2 3.86Å; K383-F387 HydrophobicContact CD-CE2 4.25Å; K383-F387 WeakPolarHBondContact O-CD2 3.35Å; K383-F387 PolarHBondContact O-N 3.15Å; K383-F387 VanDerWaalsContact O-N 3.08Å; L384-F387 PolarHBondContact O-N 3.4Å; F387-L437 HydrophobicContact CD2-CD2 4.18Å; F387-L437 HydrophobicContact CD2-CG 4.31Å; F387-L437 HydrophobicContact CE2-CD2 3.61Å; F387-L437 HydrophobicContact CE2-CG 4.17Å; F387-V441 HydrophobicContact CB-CG1 4.37Å; F387-V441 HydrophobicContact CB-CG2 3.97Å; F387-V441 HydrophobicContact CD2-CG2 4.15Å; F387-V441 HydrophobicContact CG-CG2 4.43Å; F387-R445 PolarHBondContact O-NH2 3.29Å
388	L	89.3	Confident	86.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	1.7	-175.5	-58.3	176	0	0	0	113.7	L367 L384 A386 N390 D391 H392 I393 V395 V441 A444 R445	L367-L388 HydrophobicContact CB-CD1 4.21Å; L367-L388 HydrophobicContact CD2-CD1 3.49Å; L367-L388 VanDerWaalsContact CD2-CD1 3.49Å; L367-L388 HydrophobicContact CG-CD1 4.46Å; L384-L388 HydrophobicContact CB-CD1 4.43Å; L384-L388 HydrophobicContact CD2-CD1 4.48Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 WeakPolarHBondContact O-CG 3.01Å; L384-L388 PolarHBondContact O-N 3.02Å; A386-L388 VanDerWaalsContact C-N 3.35Å; A386-L388 PolarHBondContact O-N 3.1Å; L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 3.3Å; L388-D391 PolarHBondContact O-N 3.46Å; L388-D391 VanDerWaalsContact O-N 3.12Å; L388-H392 PolarHBondContact O-N 3.08Å; L388-I393 HydrophobicContact CB-CB 4.05Å; L388-I393 HydrophobicContact CD1-CG2 4.37Å; L388-I393 HydrophobicContact CD2-CD1 4.29Å; L388-I393 PolarHBondContact O-N 3.49Å; L388-V395 HydrophobicContact CD1-CG2 4.14Å; L388-V441 HydrophobicContact CD2-CB 4.37Å; L388-V441 HydrophobicContact CD2-CG1 3.84Å; L388-V441 HydrophobicContact CD2-CG2 4.35Å; L388-A444 HydrophobicContact CD1-CB 4.16Å; L388-A444 HydrophobicContact CD2-CB 4.15Å; L388-R445 HydrophobicContact CD2-CG 4.31Å
389	R	86.2	Confident	87.8	Confident	105 Å²	105	43.9 Å²	43.9	40%	0.396	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-46.1	-179.5	-171.9	178.4	-67.3	-170.3	-2	112.1	Q385 A386 D391 H392	Q385-R389 WeakPolarHBondContact O-CB 3.46Å; Q385-R389 PolarHBondContact O-N 3.44Å; A386-R389 WeakPolarHBondContact O-CB 3.33Å; A386-R389 PolarHBondContact O-N 3.5Å; R389-D391 VanDerWaalsContact C-N 3.26Å; R389-D391 PolarHBondContact O-N 2.88Å; R389-H392 PolarHBondContact O-N 2.81Å; R389-H392 VanDerWaalsContact O-N 3.15Å
390	N	84.8	Confident	88.7	Confident	136 Å²	136	41.6 Å²	41.6	73%	0.727	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.8	-178.3	-65.4	-21	0	0	0	112.6	L388 H392	L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 3.3Å; N390-H392 PolarHBondContact O-CE1 3.06Å; N390-H392 PolarHBondContact O-N 3.22Å; N390-H392 PolarHBondContact O-ND1 3.25Å
391	D	86.8	Confident	89.4	Confident	25 Å²	25	43 Å²	43	13%	0.134	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.3	176.6	-54.9	-72.3	0	0	0	112.4	R365 L388 R389 I393 R445	R365-D391 PolarHBondContact NH1-O 2.87Å; L388-D391 PolarHBondContact O-N 3.46Å; L388-D391 VanDerWaalsContact O-N 3.12Å; R389-D391 VanDerWaalsContact C-N 3.26Å; R389-D391 PolarHBondContact O-N 2.88Å; D391-I393 HydrophobicContact CB-CD1 3.89Å; D391-I393 HydrophobicContact CB-CG1 3.88Å; D391-I393 PolarHBondContact O-N 3.47Å; D391-R445 IonicContact OD1-NE 3.75Å; D391-R445 PolarHBondContact OD1-NE 2.85Å; D391-R445 IonicContact OD2-CZ 3.7Å; D391-R445 IonicContact OD2-NE 2.78Å; D391-R445 PolarHBondContact OD2-NE 2.92Å; D391-R445 IonicContact OD2-NH2 3.98Å; D391-R445 PolarHBondContact OD2-NH2 2.99Å
392	H	91.5	Very high	89.7	Confident	141 Å²	141	46 Å²	46	65%	0.653	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	35.1	-176.4	-53.6	74.1	0	0	0	112.5	L388 R389 N390	L388-H392 PolarHBondContact O-N 3.08Å; R389-H392 PolarHBondContact O-N 2.81Å; R389-H392 VanDerWaalsContact O-N 3.15Å; N390-H392 PolarHBondContact O-CE1 3.06Å; N390-H392 PolarHBondContact O-N 3.22Å; N390-H392 PolarHBondContact O-ND1 3.25Å
393	I	93.8	Very high	90	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118	176.5	-48.1	173.1	0	0	0	108.3	R365 L367 L388 D391 V419 A444 V448	R365-I393 HydrophobicContact CB-CB 4.27Å; R365-I393 HydrophobicContact CB-CG1 4.04Å; R365-I393 HydrophobicContact CB-CG2 4.24Å; L367-I393 HydrophobicContact CB-CG2 3.95Å; L388-I393 HydrophobicContact CB-CB 4.05Å; L388-I393 HydrophobicContact CD1-CG2 4.37Å; L388-I393 HydrophobicContact CD2-CD1 4.29Å; L388-I393 PolarHBondContact O-N 3.49Å; D391-I393 HydrophobicContact CB-CD1 3.89Å; D391-I393 HydrophobicContact CB-CG1 3.88Å; D391-I393 PolarHBondContact O-N 3.47Å; I393-V419 HydrophobicContact CG2-CG2 4.35Å; I393-A444 HydrophobicContact CD1-CB 4.25Å; I393-V448 HydrophobicContact CD1-CB 4.36Å; I393-V448 HydrophobicContact CD1-CG1 3.75Å; I393-V448 HydrophobicContact CD1-CG2 3.72Å; I393-V448 HydrophobicContact CG1-CG1 4.18Å; I393-V448 HydrophobicContact CG1-CG2 4.33Å
394	Q	93.4	Very high	90.3	Very high	79 Å²	79	49.2 Å²	49.2	37%	0.369	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	153.2	173.5	-56.2	-57.8	-26.3	0	0	110	H364 R365 W366 L367	H364-Q394 HydrophobicContact CB-CG 4.45Å; R365-Q394 PolarHBondContact O-N 2.84Å; W366-Q394 CarbonylContact C-O 3.59Å; W366-Q394 WeakPolarHBondContact CA-O 3.35Å; W366-Q394 HydrophobicContact CD2-CB 3.63Å; W366-Q394 HydrophobicContact CD2-CG 4.48Å; W366-Q394 HydrophobicContact CE3-CB 3.57Å; W366-Q394 HydrophobicContact CG-CB 4.34Å; W366-Q394 HydrophobicContact CH2-CB 3.72Å; W366-Q394 HydrophobicContact CH2-CG 4.26Å; W366-Q394 HydrophobicContact CZ2-CB 3.79Å; W366-Q394 HydrophobicContact CZ2-CG 4Å; W366-Q394 HydrophobicContact CZ3-CB 3.62Å; L367-Q394 PolarHBondContact N-O 3.19Å
395	V	93.6	Very high	90.5	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.055	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.9	-178.9	-170.1	0	0	0	0	109.4	L349 L367 L384 Q385 L388	L349-V395 HydrophobicContact CD1-CG1 4.03Å; L349-V395 HydrophobicContact CD2-CB 4.32Å; L349-V395 HydrophobicContact CD2-CG1 3.74Å; L349-V395 HydrophobicContact CG-CG1 4.49Å; L367-V395 HydrophobicContact CB-CG2 4.48Å; L367-V395 WeakPolarHBondContact O-CA 3.18Å; L384-V395 HydrophobicContact CB-CB 4.48Å; L384-V395 HydrophobicContact CB-CG1 3.95Å; L384-V395 HydrophobicContact CB-CG2 3.86Å; L384-V395 HydrophobicContact CD1-CG1 4.18Å; Q385-V395 HydrophobicContact CB-CG2 4.44Å; L388-V395 HydrophobicContact CD1-CG2 4.14Å
396	G	93.6	Very high	90.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	-179.9	179.5	0	0	0	0	0	112.4	E350 L367 I368 S369	E350-G396 CarbonylContact O-C 3.41Å; E350-G396 VanDerWaalsContact O-CA 3.28Å; E350-G396 WeakPolarHBondContact O-CA 3.48Å; L367-G396 PolarHBondContact O-N 3.44Å; I368-G396 WeakPolarHBondContact CA-O 3.47Å; S369-G396 PolarHBondContact N-O 2.8Å
397	R	93.3	Very high	91.2	Very high	58 Å²	58	51.5 Å²	51.5	22%	0.219	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.8	176.5	64	-179.4	-177.2	142.6	4.8	111.5	D348 L349 E350 L351 L352 S369 M371	D348-R397 IonicContact OD2-CZ 2.95Å; D348-R397 IonicContact OD2-NE 3.41Å; D348-R397 PolarHBondContact OD2-NE 2.73Å; D348-R397 IonicContact OD2-NH1 3.05Å; D348-R397 PolarHBondContact OD2-NH1 2.93Å; D348-R397 IonicContact OD2-NH2 3.19Å; D348-R397 PolarHBondContact OD2-NH2 3.43Å; L349-R397 HydrophobicContact CB-CB 4.3Å; L349-R397 HydrophobicContact CB-CG 4.12Å; L349-R397 PolarHBondContact O-NE 2.92Å; L349-R397 VanDerWaalsContact O-NE 3.13Å; E350-R397 PolarHBondContact O-N 3.34Å; L351-R397 HydrophobicContact CD1-CG 4.14Å; L352-R397 PolarHBondContact N-O 2.88Å; S369-R397 CarbonylContact O-C 3.59Å; S369-R397 VanDerWaalsContact O-CA 3.24Å; S369-R397 WeakPolarHBondContact O-CA 3.43Å; M371-R397 HydrophobicContact CE-CB 4.38Å; M371-R397 HydrophobicContact CE-CG 4.42Å
398	V	93.9	Very high	91.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133	172.9	171.6	0	0	0	0	108	L352 F357 I368 S369 F370 M371 L406	L352-V398 HydrophobicContact CB-CG2 4.03Å; F357-V398 HydrophobicContact CD2-CG2 3.97Å; F357-V398 HydrophobicContact CE2-CG2 3.99Å; I368-V398 HydrophobicContact CG2-CB 4.29Å; I368-V398 HydrophobicContact CG2-CG2 3.65Å; S369-V398 PolarHBondContact O-N 3.31Å; F370-V398 HydrophobicContact CD1-CB 3.73Å; F370-V398 HydrophobicContact CD1-CG1 3.89Å; F370-V398 HydrophobicContact CD1-CG2 4.32Å; F370-V398 HydrophobicContact CE1-CB 3.89Å; F370-V398 HydrophobicContact CE1-CG1 4.02Å; F370-V398 HydrophobicContact CE1-CG2 3.98Å; M371-V398 PolarHBondContact N-O 3.16Å; V398-L406 HydrophobicContact CG1-CD2 3.95Å; V398-L406 HydrophobicContact CG2-CD2 4.31Å
399	D	92.4	Very high	91.7	Very high	44 Å²	44	58.9 Å²	58.9	24%	0.235	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	104.6	170	-174.8	-9.4	0	0	0	109.3	L351 V401 A402 D403	L351-D399 HydrophobicContact CD1-CB 4.36Å; D399-V401 PolarHBondContact O-N 3.26Å; D399-V401 WeakPolarHBondContact OD1-CB 3.06Å; D399-V401 PolarHBondContact OD1-N 3.48Å; D399-A402 HydrophobicContact CB-CB 4.09Å; D399-A402 PolarHBondContact O-N 3.4Å; D399-D403 PolarHBondContact O-N 3.21Å
400	C	93.3	Very high	92	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.034	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.1	-179.2	-67.2	0	0	0	0	113.6	M371 F372 S404 C407	M371-C400 WeakPolarHBondContact O-CB 3.44Å; M371-C400 PolarHBondContact O-N 3.15Å; F372-C400 HydrophobicContact CD1-CB 4.02Å; F372-C400 HydrophobicContact CD2-CB 4.15Å; F372-C400 HydrophobicContact CE1-CB 3.58Å; F372-C400 HydrophobicContact CE2-CB 3.71Å; F372-C400 HydrophobicContact CG-CB 4.29Å; F372-C400 HydrophobicContact CZ-CB 3.4Å; C400-S404 VanDerWaalsContact O-CA 3.32Å; C400-S404 WeakPolarHBondContact O-CA 3.44Å; C400-S404 PolarHBondContact O-N 3.47Å; C400-C407 WeakPolarHBondContact CA-SG 3.34Å; C400-C407 HydrophobicContact CB-CB 3.73Å; C400-C407 WeakPolarHBondContact CB-SG 3.23Å; C400-C407 WeakPolarHBondContact SG-CB 3.28Å; C400-C407 CovalentContact SG-SG 2.04Å; C400-C407 PolarHBondContact SG-SG 3.48Å
401	V	91.2	Very high	92.5	Very high	95 Å²	95	51.3 Å²	51.3	58%	0.576	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-39	171	-176.9	0	0	0	0	110	S373 D399	S373-V401 VanDerWaalsContact N-CG2 3.31Å; D399-V401 PolarHBondContact O-N 3.26Å; D399-V401 WeakPolarHBondContact OD1-CB 3.06Å; D399-V401 PolarHBondContact OD1-N 3.48Å
402	A	91.4	Very high	92.8	Very high	75 Å²	75	50.4 Å²	50.4	62%	0.62	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-42.3	178.1	0	0	0	0	0	112.4	D399	D399-A402 HydrophobicContact CB-CB 4.09Å; D399-A402 PolarHBondContact O-N 3.4Å
403	D	92	Very high	92.7	Very high	43 Å²	43	49.3 Å²	49.3	23%	0.23	26%	0.261	C	S	.	.	S	Bend	trans	-117	63.9	-177.5	-87.8	-49.7	0	0	0	111	T353 S354 D399 E405 L406 C407	T353-D403 WeakPolarHBondContact CA-OD2 3.47Å; S354-D403 PolarHBondContact N-OD2 2.92Å; S354-D403 VanDerWaalsContact OG-CG 3.26Å; S354-D403 PolarHBondContact OG-OD1 3.44Å; D399-D403 PolarHBondContact O-N 3.21Å; D403-E405 VanDerWaalsContact C-N 3.33Å; D403-E405 PolarHBondContact O-N 3.29Å; D403-L406 HydrophobicContact CB-CB 4.25Å; D403-L406 PolarHBondContact O-N 2.91Å; D403-C407 PolarHBondContact O-N 2.89Å
404	S	91.9	Very high	92.5	Very high	61 Å²	61	55.2 Å²	55.2	43%	0.427	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-35	-174.4	65.4	0	0	0	0	113.7	C400 C407 Q408	C400-S404 VanDerWaalsContact O-CA 3.32Å; C400-S404 WeakPolarHBondContact O-CA 3.44Å; C400-S404 PolarHBondContact O-N 3.47Å; S404-C407 PolarHBondContact O-N 2.84Å; S404-Q408 WeakPolarHBondContact O-CB 3.23Å; S404-Q408 VanDerWaalsContact O-CG 3.23Å; S404-Q408 WeakPolarHBondContact O-CG 3.49Å; S404-Q408 PolarHBondContact O-N 3.23Å
405	E	91.9	Very high	92.3	Very high	147 Å²	147	55.6 Å²	55.6	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-62	-44.7	179.3	-173.2	-179.3	170.6	0	0	110.9	D403 C407 Q408 T409	D403-E405 VanDerWaalsContact C-N 3.33Å; D403-E405 PolarHBondContact O-N 3.29Å; E405-C407 PolarHBondContact O-N 2.99Å; E405-Q408 PolarHBondContact O-N 3.19Å; E405-T409 WeakPolarHBondContact O-CG2 3.48Å; E405-T409 PolarHBondContact O-N 3.37Å
406	L	92.1	Very high	92.3	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-56.8	-51.7	177.5	176.9	64	0	0	0	111.2	F357 V398 D403 Q408 T409 L410	F357-L406 HydrophobicContact CB-CD2 4.22Å; F357-L406 HydrophobicContact CD1-CD1 3.68Å; F357-L406 HydrophobicContact CD1-CD2 4.37Å; F357-L406 HydrophobicContact CD2-CD2 3.91Å; F357-L406 HydrophobicContact CE1-CD1 3.84Å; F357-L406 HydrophobicContact CE2-CD2 4.3Å; F357-L406 HydrophobicContact CG-CD1 4.09Å; F357-L406 HydrophobicContact CG-CD2 3.94Å; F357-L406 HydrophobicContact CZ-CD1 4.4Å; V398-L406 HydrophobicContact CG1-CD2 3.95Å; V398-L406 HydrophobicContact CG2-CD2 4.31Å; D403-L406 HydrophobicContact CB-CB 4.25Å; D403-L406 PolarHBondContact O-N 2.91Å; L406-Q408 VanDerWaalsContact C-N 3.34Å; L406-Q408 PolarHBondContact O-N 2.83Å; L406-T409 PolarHBondContact O-N 3.46Å; L406-T409 PolarHBondContact O-OG1 3.28Å; L406-L410 PolarHBondContact O-N 2.65Å
407	C	93.8	Very high	92.3	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-35.2	-179	-60.4	0	0	0	0	112.5	C400 D403 S404 E405 L410 Y411 I412	C400-C407 WeakPolarHBondContact CA-SG 3.34Å; C400-C407 HydrophobicContact CB-CB 3.73Å; C400-C407 WeakPolarHBondContact CB-SG 3.23Å; C400-C407 WeakPolarHBondContact SG-CB 3.28Å; C400-C407 CovalentContact SG-SG 2.04Å; C400-C407 PolarHBondContact SG-SG 3.48Å; D403-C407 PolarHBondContact O-N 2.89Å; S404-C407 PolarHBondContact O-N 2.84Å; E405-C407 PolarHBondContact O-N 2.99Å; C407-L410 CarbonylContact O-C 3.23Å; C407-L410 PolarHBondContact O-N 2.79Å; C407-Y411 PolarHBondContact O-N 3.25Å; C407-Y411 VanDerWaalsContact O-N 3.1Å; C407-I412 HydrophobicContact CB-CB 4.28Å; C407-I412 PolarHBondContact O-N 3.11Å
408	Q	92.9	Very high	92.4	Very high	120 Å²	120	53.9 Å²	53.9	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-63.3	-41.2	174.5	-75.8	174.4	14.4	0	0	112.4	S404 E405 L406 L410 Y411	S404-Q408 WeakPolarHBondContact O-CB 3.23Å; S404-Q408 VanDerWaalsContact O-CG 3.23Å; S404-Q408 WeakPolarHBondContact O-CG 3.49Å; S404-Q408 PolarHBondContact O-N 3.23Å; E405-Q408 PolarHBondContact O-N 3.19Å; L406-Q408 VanDerWaalsContact C-N 3.34Å; L406-Q408 PolarHBondContact O-N 2.83Å; Q408-L410 PolarHBondContact O-N 3.16Å; Q408-Y411 PolarHBondContact O-N 3.21Å
409	T	91.3	Very high	92.6	Very high	76 Å²	76	53.9 Å²	53.9	47%	0.466	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-25.5	177.1	62.5	0	0	0	0	113.3	E405 L406	E405-T409 WeakPolarHBondContact O-CG2 3.48Å; E405-T409 PolarHBondContact O-N 3.37Å; L406-T409 PolarHBondContact O-N 3.46Å; L406-T409 PolarHBondContact O-OG1 3.28Å
410	L	93.1	Very high	92.8	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.4	176.5	-61	173.7	0	0	0	112.9	F357 F370 L406 C407 Q408 I412 F420 F428	F357-L410 HydrophobicContact CE1-CD1 4.21Å; F357-L410 HydrophobicContact CZ-CD1 3.85Å; F370-L410 HydrophobicContact CE1-CD1 4.05Å; F370-L410 HydrophobicContact CZ-CD1 3.91Å; L406-L410 PolarHBondContact O-N 2.65Å; C407-L410 CarbonylContact O-C 3.23Å; C407-L410 PolarHBondContact O-N 2.79Å; Q408-L410 PolarHBondContact O-N 3.16Å; L410-I412 HydrophobicContact CB-CD1 3.88Å; L410-I412 HydrophobicContact CB-CG1 3.98Å; L410-I412 HydrophobicContact CD1-CD1 4.19Å; L410-I412 PolarHBondContact O-N 3.43Å; L410-F420 HydrophobicContact CD1-CZ 4.12Å; L410-F428 HydrophobicContact CB-CZ 4.5Å; L410-F428 HydrophobicContact CD2-CE1 3.81Å; L410-F428 HydrophobicContact CD2-CZ 4.1Å
411	Y	94.4	Very high	92.8	Very high	74 Å²	74	52.4 Å²	52.4	29%	0.29	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	35.5	-174.3	-60.7	-102.6	0	0	0	113.6	C407 Q408 H413 R456 I507 H508	C407-Y411 PolarHBondContact O-N 3.25Å; C407-Y411 VanDerWaalsContact O-N 3.1Å; Q408-Y411 PolarHBondContact O-N 3.21Å; Y411-H413 PolarHBondContact O-CD2 3.24Å; Y411-R456 HydrophobicContact CD2-CB 4.45Å; Y411-R456 VanDerWaalsContact CD2-CD 3.4Å; Y411-R456 HydrophobicContact CD2-CG 3.99Å; Y411-R456 HydrophobicContact CE2-CB 4.19Å; Y411-R456 HydrophobicContact CE2-CG 4.22Å; Y411-I507 HydrophobicContact CD1-CG2 4.25Å; Y411-H508 AromaticContact CD1-CE1 3.49Å; Y411-H508 VanDerWaalsContact CD1-CE1 3.49Å; Y411-H508 WeakPolarHBondContact CD1-CE1 3.26Å; Y411-H508 AromaticContact CE1-CE1 3.72Å; Y411-H508 AromaticContact CG-CE1 3.68Å
412	I	93.9	Very high	92.5	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	26%	0.264	C	S	.	.			trans	-93.8	109.8	176.2	-63.5	174.3	0	0	0	108.2	F370 F372 C407 L410	F370-I412 HydrophobicContact CB-CG2 3.89Å; F370-I412 HydrophobicContact CD1-CD1 3.75Å; F370-I412 HydrophobicContact CD1-CG2 4.32Å; F370-I412 HydrophobicContact CD2-CD1 3.64Å; F370-I412 HydrophobicContact CE1-CD1 3.68Å; F370-I412 HydrophobicContact CE2-CD1 3.57Å; F370-I412 HydrophobicContact CG-CD1 3.73Å; F370-I412 HydrophobicContact CG-CG2 4.09Å; F370-I412 HydrophobicContact CZ-CD1 3.58Å; F372-I412 HydrophobicContact CE2-CG2 4.09Å; F372-I412 HydrophobicContact CZ-CG2 4.35Å; C407-I412 HydrophobicContact CB-CB 4.28Å; C407-I412 PolarHBondContact O-N 3.11Å; L410-I412 HydrophobicContact CB-CD1 3.88Å; L410-I412 HydrophobicContact CB-CG1 3.98Å; L410-I412 HydrophobicContact CD1-CD1 4.19Å; L410-I412 PolarHBondContact O-N 3.43Å
413	H	90.3	Very high	92	Very high	118 Å²	118	51.4 Å²	51.4	55%	0.546	27%	0.268	S	S	.	.			trans	-114.8	-4.2	-176.3	-56.9	-59.8	0	0	0	114	F372 Y411	F372-H413 VanDerWaalsContact CZ-C 3.48Å; Y411-H413 PolarHBondContact O-CD2 3.24Å
414	K	89.1	Confident	91.5	Very high	129 Å²	129	50.1 Å²	50.1	56%	0.561	26%	0.264	S	S	*	.	S	Bend	trans	-144.9	159	-179.4	63.4	-177.2	178.6	-175.3	0	109.6	F372 C416	F372-K414 VanDerWaalsContact CD2-C 3.49Å; F372-K414 WeakPolarHBondContact CE2-O 3.34Å; K414-C416 PolarHBondContact O-N 3.47Å
415	P	90	Very high	91.1	Very high	87 Å²	87	49 Å²	49	57%	0.565	25%	0.253	S	S	*	.			trans	-54	131.3	175.9	-25.2	33.9	0	0	0	111.5	F370 F372	F370-P415 VanDerWaalsContact O-CA 3.25Å; F370-P415 WeakPolarHBondContact O-CA 3.23Å; F372-P415 HydrophobicContact CB-CG 4.15Å; F372-P415 HydrophobicContact CD2-CG 3.93Å; F372-P415 HydrophobicContact CG-CG 4.46Å
416	C	92.1	Very high	90.8	Very high	24 Å²	24	47.3 Å²	47.3	16%	0.162	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	165.9	178.2	70	0	0	0	0	111.1	F370 K414 I430	F370-C416 PolarHBondContact N-O 3.23Å; F370-C416 PolarHBondContact O-N 3.02Å; K414-C416 PolarHBondContact O-N 3.47Å; C416-I430 HydrophobicContact CB-CG2 4.1Å
417	V	94.5	Very high	90.7	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.042	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.5	170.7	179.6	0	0	0	0	108.3	L367 I368 Y381 H431 I440	L367-V417 HydrophobicContact CD1-CG1 3.42Å; L367-V417 VanDerWaalsContact CD1-CG1 3.42Å; L367-V417 HydrophobicContact CD2-CG1 4.36Å; L367-V417 HydrophobicContact CG-CG1 3.83Å; I368-V417 WeakPolarHBondContact O-CA 3.32Å; Y381-V417 HydrophobicContact CE2-CG2 3.93Å; V417-H431 HydrophobicContact CB-CB 4.22Å; V417-H431 WeakPolarHBondContact O-CB 3.34Å; V417-H431 PolarHBondContact O-N 3.07Å; V417-I440 HydrophobicContact CG1-CG2 4.04Å; V417-I440 HydrophobicContact CG2-CD1 4.39Å
418	A	96.1	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.7	174.9	0	0	0	0	0	110.7	I368 F370 F420 F428 E429 I430	I368-A418 PolarHBondContact N-O 3.42Å; I368-A418 PolarHBondContact O-N 3.31Å; F370-A418 HydrophobicContact CD2-CB 4.45Å; F370-A418 HydrophobicContact CE2-CB 3.95Å; A418-F420 HydrophobicContact CB-CE2 4.09Å; A418-F428 HydrophobicContact CB-CD2 4.19Å; A418-E429 CarbonylContact C-O 3.44Å; A418-E429 VanDerWaalsContact CA-O 3.25Å; A418-E429 WeakPolarHBondContact CA-O 3.26Å; A418-E429 WeakPolarHBondContact CB-O 3.16Å; A418-I430 HydrophobicContact CB-CG1 4.21Å
419	V	96.6	Very high	91	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.7	176.7	70.4	0	0	0	0	110.4	W366 L367 I393 F428 E429 F443 A444 S447 V448	W366-V419 CarbonylContact O-C 3.58Å; W366-V419 WeakPolarHBondContact O-CA 3.18Å; L367-V419 HydrophobicContact CD1-CB 3.82Å; L367-V419 HydrophobicContact CD1-CG2 4.19Å; I393-V419 HydrophobicContact CG2-CG2 4.35Å; V419-F428 WeakPolarHBondContact O-CA 3.48Å; V419-F428 VanDerWaalsContact O-CB 3.25Å; V419-F428 WeakPolarHBondContact O-CB 3.45Å; V419-E429 PolarHBondContact N-O 3.39Å; V419-E429 PolarHBondContact O-N 2.91Å; V419-F443 HydrophobicContact CB-CE1 4.03Å; V419-F443 HydrophobicContact CB-CZ 4.46Å; V419-F443 HydrophobicContact CG1-CD1 4.49Å; V419-F443 HydrophobicContact CG1-CE1 3.63Å; V419-F443 HydrophobicContact CG1-CZ 3.65Å; V419-A444 HydrophobicContact CG2-CB 4.31Å; V419-S447 VanDerWaalsContact CG1-CB 3.46Å; V419-S447 WeakPolarHBondContact CG1-OG 3.38Å; V419-V448 HydrophobicContact CG2-CG1 3.52Å
420	F	96	Very high	91.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.1	179	-66.6	-97	0	0	0	109.4	F357 L361 R365 W366 I368 F370 L410 A418 G422 F428	F357-F420 HydrophobicContact CZ-CE1 4.1Å; F357-F420 HydrophobicContact CZ-CE2 4.1Å; F357-F420 AromaticContact CZ-CZ 3.69Å; F357-F420 HydrophobicContact CZ-CZ 3.69Å; L361-F420 HydrophobicContact CD2-CB 3.97Å; L361-F420 HydrophobicContact CD2-CD1 3.31Å; L361-F420 HydrophobicContact CD2-CD2 3.93Å; L361-F420 HydrophobicContact CD2-CE1 3.72Å; L361-F420 HydrophobicContact CD2-CE2 4.29Å; L361-F420 HydrophobicContact CD2-CG 3.44Å; L361-F420 VanDerWaalsContact CD2-CG 3.44Å; L361-F420 HydrophobicContact CD2-CZ 4.19Å; L361-F420 HydrophobicContact CG-CB 4.15Å; L361-F420 HydrophobicContact CG-CD1 4.36Å; L361-F420 HydrophobicContact CG-CG 4.14Å; R365-F420 VanDerWaalsContact CA-O 3.27Å; R365-F420 WeakPolarHBondContact CA-O 3.47Å; W366-F420 HydrophobicContact CB-CB 4.43Å; W366-F420 PolarHBondContact N-O 3.17Å; W366-F420 PolarHBondContact O-N 3.36Å; I368-F420 HydrophobicContact CB-CE2 4.31Å; I368-F420 HydrophobicContact CD1-CD2 3.53Å; I368-F420 HydrophobicContact CD1-CE2 3.57Å; I368-F420 HydrophobicContact CD1-CG 4.48Å; I368-F420 HydrophobicContact CG1-CD2 4.01Å; I368-F420 HydrophobicContact CG1-CE2 4.16Å; F370-F420 HydrophobicContact CE2-CE2 4.12Å; F370-F420 HydrophobicContact CZ-CE2 4.12Å; F370-F420 HydrophobicContact CZ-CZ 4.21Å; L410-F420 HydrophobicContact CD1-CZ 4.12Å; A418-F420 HydrophobicContact CB-CE2 4.09Å; F420-G422 VanDerWaalsContact C-N 3.34Å; F420-G422 PolarHBondContact O-N 3.47Å; F420-F428 HydrophobicContact CB-CB 4.46Å; F420-F428 HydrophobicContact CD1-CB 3.47Å; F420-F428 VanDerWaalsContact CD1-CB 3.47Å; F420-F428 HydrophobicContact CD1-CD1 4.17Å; F420-F428 HydrophobicContact CD1-CG 4.05Å; F420-F428 HydrophobicContact CD2-CB 4.31Å; F420-F428 HydrophobicContact CE1-CB 3.61Å; F420-F428 AromaticContact CE1-CD1 3.62Å; F420-F428 HydrophobicContact CE1-CD1 3.62Å; F420-F428 HydrophobicContact CE1-CD2 4.41Å; F420-F428 HydrophobicContact CE1-CE1 4.33Å; F420-F428 AromaticContact CE1-CG 3.65Å; F420-F428 HydrophobicContact CE1-CG 3.65Å; F420-F428 HydrophobicContact CE2-CB 4.4Å; F420-F428 HydrophobicContact CG-CB 3.85Å; F420-F428 HydrophobicContact CZ-CB 4.07Å; F420-F428 HydrophobicContact CZ-CD1 4.25Å; F420-F428 HydrophobicContact CZ-CD2 4.31Å; F420-F428 AromaticContact CZ-CG 3.98Å; F420-F428 HydrophobicContact CZ-CG 3.98Å
421	K	93.4	Very high	91.3	Very high	17 Å²	17	40.4 Å²	40.4	7%	0.074	21%	0.208	C	C	.	.			trans	-89.6	4.7	-166	-52.6	-169.7	-176.2	-170.3	0	114.6	D427 E429 S447 A450 V452	K421-D427 PolarHBondContact N-O 2.9Å; K421-E429 WeakPolarHBondContact CE-OE1 3.16Å; K421-E429 IonicContact NZ-OE1 3.03Å; K421-E429 PolarHBondContact NZ-OE1 3.09Å; K421-S447 WeakPolarHBondContact CE-O 3.38Å; K421-S447 WeakPolarHBondContact CE-OG 3.45Å; K421-S447 PolarHBondContact NZ-O 3.35Å; K421-A450 PolarHBondContact NZ-O 2.88Å; K421-V452 WeakPolarHBondContact CE-O 3.16Å; K421-V452 PolarHBondContact NZ-O 2.78Å
422	G	85.2	Confident	91	Very high	16 Å²	16	38.7 Å²	38.7	17%	0.165	20%	0.203	C	C	.	.	S	Bend	trans	84.9	16.7	179.4	0	0	0	0	0	114.8	H364 F420	H364-G422 VanDerWaalsContact O-CA 3.27Å; H364-G422 WeakPolarHBondContact O-CA 3.48Å; F420-G422 VanDerWaalsContact C-N 3.34Å; F420-G422 PolarHBondContact O-N 3.47Å
423	L	81.4	Confident	90.4	Very high	134 Å²	134	39.9 Å²	39.9	70%	0.702	22%	0.216	S	C	*	.	S	Bend	trans	-108.6	31.1	173.1	-60.9	178	0	0	0	111.5	D427	L423-D427 HydrophobicContact CB-CB 4.16Å
424	G	82.6	Confident	89.9	Confident	15 Å²	15	37.8 Å²	37.8	16%	0.155	21%	0.205	C	C	.	.			trans	82.6	-157.4	-174.7	0	0	0	0	0	113.5	L361	L361-G424 WeakPolarHBondContact O-CA 3.33Å; L361-G424 PolarHBondContact O-N 2.89Å; L361-G424 VanDerWaalsContact O-N 3.12Å
425	I	83.1	Confident	89.6	Confident	39 Å²	39	37.1 Å²	37.1	20%	0.2	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.3	-169.7	65.6	172.8	0	0	0	114.3	F357 K358 L361 F428	F357-I425 HydrophobicContact CD1-CG2 4.12Å; F357-I425 HydrophobicContact CE1-CG2 3.82Å; K358-I425 HydrophobicContact CG-CG2 4.26Å; L361-I425 HydrophobicContact CD2-CG2 4.27Å; I425-F428 WeakPolarHBondContact O-CD1 3.08Å
426	H	84.8	Confident	89.3	Confident	110 Å²	110	35.3 Å²	35.3	51%	0.509	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-12.2	-172.6	-59.7	-61.6	0	0	0	113.5	T453	H426-T453 PolarHBondContact O-OG1 2.9Å; H426-T453 VanDerWaalsContact O-OG1 3.04Å
427	D	90.8	Very high	88.9	Confident	30 Å²	30	34.4 Å²	34.4	16%	0.16	19%	0.189	C	C	.	.	S	Bend	trans	-117.6	90.9	-178.2	-167.6	22	0	0	0	111	K421 L423 T453	K421-D427 PolarHBondContact N-O 2.9Å; L423-D427 HydrophobicContact CB-CB 4.16Å; D427-T453 PolarHBondContact OD1-OG1 3.23Å
428	F	95.5	Very high	88.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	160.1	178.9	72.9	-87.7	0	0	0	111.5	L410 A418 V419 F420 I425 I430 T454	L410-F428 HydrophobicContact CB-CZ 4.5Å; L410-F428 HydrophobicContact CD2-CE1 3.81Å; L410-F428 HydrophobicContact CD2-CZ 4.1Å; A418-F428 HydrophobicContact CB-CD2 4.19Å; V419-F428 WeakPolarHBondContact O-CA 3.48Å; V419-F428 VanDerWaalsContact O-CB 3.25Å; V419-F428 WeakPolarHBondContact O-CB 3.45Å; F420-F428 HydrophobicContact CB-CB 4.46Å; F420-F428 HydrophobicContact CD1-CB 3.47Å; F420-F428 VanDerWaalsContact CD1-CB 3.47Å; F420-F428 HydrophobicContact CD1-CD1 4.17Å; F420-F428 HydrophobicContact CD1-CG 4.05Å; F420-F428 HydrophobicContact CD2-CB 4.31Å; F420-F428 HydrophobicContact CE1-CB 3.61Å; F420-F428 AromaticContact CE1-CD1 3.62Å; F420-F428 HydrophobicContact CE1-CD1 3.62Å; F420-F428 HydrophobicContact CE1-CD2 4.41Å; F420-F428 HydrophobicContact CE1-CE1 4.33Å; F420-F428 AromaticContact CE1-CG 3.65Å; F420-F428 HydrophobicContact CE1-CG 3.65Å; F420-F428 HydrophobicContact CE2-CB 4.4Å; F420-F428 HydrophobicContact CG-CB 3.85Å; F420-F428 HydrophobicContact CZ-CB 4.07Å; F420-F428 HydrophobicContact CZ-CD1 4.25Å; F420-F428 HydrophobicContact CZ-CD2 4.31Å; F420-F428 AromaticContact CZ-CG 3.98Å; F420-F428 HydrophobicContact CZ-CG 3.98Å; I425-F428 WeakPolarHBondContact O-CD1 3.08Å; F428-I430 HydrophobicContact CD2-CG1 4.15Å; F428-I430 HydrophobicContact CE2-CD1 4.11Å; F428-I430 HydrophobicContact CE2-CG1 3.8Å; F428-T454 HydrophobicContact CE2-CG2 4.12Å; F428-T454 HydrophobicContact CZ-CG2 4.2Å; F428-T454 WeakPolarHBondContact O-CB 3.44Å; F428-T454 PolarHBondContact O-N 2.89Å; F428-T454 PolarHBondContact O-OG1 2.94Å
429	E	96.9	Very high	87.9	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.4	168.9	-65.1	-176	-122.7	0	0	109.5	A418 V419 K421 F443 S447 V452 T454 R488	A418-E429 CarbonylContact C-O 3.44Å; A418-E429 VanDerWaalsContact CA-O 3.25Å; A418-E429 WeakPolarHBondContact CA-O 3.26Å; A418-E429 WeakPolarHBondContact CB-O 3.16Å; V419-E429 PolarHBondContact N-O 3.39Å; V419-E429 PolarHBondContact O-N 2.91Å; K421-E429 WeakPolarHBondContact CE-OE1 3.16Å; K421-E429 IonicContact NZ-OE1 3.03Å; K421-E429 PolarHBondContact NZ-OE1 3.09Å; E429-F443 HydrophobicContact CB-CE2 3.94Å; E429-F443 HydrophobicContact CB-CZ 3.92Å; E429-F443 WeakPolarHBondContact O-CZ 3.45Å; E429-S447 WeakPolarHBondContact CB-OG 3.33Å; E429-S447 VanDerWaalsContact CD-OG 3.25Å; E429-S447 PolarHBondContact OE1-OG 3.47Å; E429-V452 WeakPolarHBondContact CG-O 3.21Å; E429-T454 WeakPolarHBondContact CA-OG1 3.23Å; E429-R488 IonicContact OE1-NE 2.73Å; E429-R488 IonicContact OE2-CZ 3.72Å; E429-R488 VanDerWaalsContact OE2-CZ 3.23Å; E429-R488 IonicContact OE2-NE 3.87Å; E429-R488 PolarHBondContact OE2-NE 3.16Å; E429-R488 IonicContact OE2-NH2 2.83Å; E429-R488 PolarHBondContact OE2-NH2 2.04Å
430	I	95.9	Very high	87.7	Confident	21 Å²	21	35.5 Å²	35.5	11%	0.108	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.7	173.1	-58.3	177.7	0	0	0	108.9	C416 A418 F428 H432	C416-I430 HydrophobicContact CB-CG2 4.1Å; A418-I430 HydrophobicContact CB-CG1 4.21Å; F428-I430 HydrophobicContact CD2-CG1 4.15Å; F428-I430 HydrophobicContact CE2-CD1 4.11Å; F428-I430 HydrophobicContact CE2-CG1 3.8Å; I430-H432 PolarHBondContact O-CD2 2.85Å; I430-H432 VanDerWaalsContact O-CD2 3.29Å; I430-H432 PolarHBondContact O-NE2 3.26Å
431	H	94.4	Very high	87.4	Confident	18 Å²	18	35.5 Å²	35.5	8%	0.083	19%	0.193	C	C	.	.			trans	-76.9	130.7	174.1	178.1	-98.8	0	0	0	110.7	V417 G433 K434 N439 F443	V417-H431 HydrophobicContact CB-CB 4.22Å; V417-H431 WeakPolarHBondContact O-CB 3.34Å; V417-H431 PolarHBondContact O-N 3.07Å; H431-G433 VanDerWaalsContact CE1-C 3.43Å; H431-G433 PolarHBondContact CE1-N 2.82Å; H431-G433 PolarHBondContact CE1-O 3.48Å; H431-K434 PolarHBondContact CE1-O 2.82Å; H431-N439 PolarHBondContact NE2-OD1 3.05Å; H431-F443 HydrophobicContact CB-CD1 3.76Å; H431-F443 HydrophobicContact CB-CE1 3.68Å; H431-F443 HydrophobicContact CB-CE2 4.49Å; H431-F443 HydrophobicContact CB-CG 4.21Å; H431-F443 HydrophobicContact CB-CZ 4.06Å; H431-F443 AromaticContact CD2-CD1 3.79Å; H431-F443 AromaticContact CD2-CG 3.61Å
432	H	88.6	Confident	87.2	Confident	38 Å²	38	35 Å²	35	18%	0.176	19%	0.192	C	C	.	.			trans	-124.8	5	-179.8	-58	-56.2	0	0	0	113.1	I430 F473 P475 R481	I430-H432 PolarHBondContact O-CD2 2.85Å; I430-H432 VanDerWaalsContact O-CD2 3.29Å; I430-H432 PolarHBondContact O-NE2 3.26Å; H432-F473 AromaticContact CD2-CE2 3.65Å; H432-F473 AromaticContact CD2-CZ 3.7Å; H432-F473 AromaticContact NE2-CE2 3.79Å; H432-F473 AromaticContact NE2-CZ 3.38Å; H432-F473 WeakPolarHBondContact NE2-CZ 3.29Å; H432-P475 HydrophobicContact CB-CB 4.42Å; H432-R481 HydrophobicContact CB-CG 4.33Å; H432-R481 WeakPolarHBondContact O-CD 3.39Å; H432-R481 PolarHBondContact O-NH1 3.22Å
433	G	80.9	Confident	87.5	Confident	30 Å²	30	34.8 Å²	34.8	31%	0.309	19%	0.187	S	C	.	.	S	Bend	trans	-80.6	-165.3	-179.9	0	0	0	0	0	112.7	H431 N439	H431-G433 VanDerWaalsContact CE1-C 3.43Å; H431-G433 PolarHBondContact CE1-N 2.82Å; H431-G433 PolarHBondContact CE1-O 3.48Å; G433-N439 WeakPolarHBondContact CA-OD1 3.24Å
434	K	80.5	Confident	88.1	Confident	74 Å²	74	28.4 Å²	28.4	32%	0.322	15%	0.154	S	C	.	.			trans	-67.1	135.7	172	-68.4	175.4	-177.2	162.3	0	109.2	D136 D139 H431 V436	D136-K434 IonicContact OD2-NZ 3.51Å; D139-K434 WeakPolarHBondContact OD2-CD 3.32Å; D139-K434 WeakPolarHBondContact OD2-CE 3.47Å; D139-K434 IonicContact OD2-NZ 3.76Å; D139-K434 PolarHBondContact OD2-NZ 2.95Å; H431-K434 PolarHBondContact CE1-O 2.82Å; K434-V436 HydrophobicContact CB-CG2 3.83Å; K434-V436 PolarHBondContact O-N 2.9Å
435	D	81.8	Confident	88.5	Confident	116 Å²	116	29.8 Å²	29.8	62%	0.62	15%	0.154	S	C	*	.	S	Bend	trans	-74.4	64.4	179.9	-160.7	42.2	0	0	0	111	Y381	Y381-D435 VanDerWaalsContact OH-CG 3.23Å; Y381-D435 PolarHBondContact OH-OD1 2.84Å; Y381-D435 PolarHBondContact OH-OD2 3.34Å
436	V	83.9	Confident	88.9	Confident	49 Å²	49	31.8 Å²	31.8	30%	0.297	17%	0.165	S	C	.	.	S	Bend	trans	-134.7	142.2	-176.7	-65.6	0	0	0	0	109.4	K434 Y438 N439 I440	K434-V436 HydrophobicContact CB-CG2 3.83Å; K434-V436 PolarHBondContact O-N 2.9Å; V436-Y438 HydrophobicContact CB-CD1 4.2Å; V436-Y438 HydrophobicContact CB-CE1 3.86Å; V436-Y438 HydrophobicContact CG2-CD1 3.87Å; V436-Y438 HydrophobicContact CG2-CD2 4.32Å; V436-Y438 HydrophobicContact CG2-CE1 3.37Å; V436-Y438 HydrophobicContact CG2-CE2 3.88Å; V436-Y438 HydrophobicContact CG2-CG 4.32Å; V436-Y438 PolarHBondContact O-N 3.06Å; V436-N439 HydrophobicContact CG2-CB 3.61Å; V436-N439 PolarHBondContact O-N 3.37Å; V436-I440 PolarHBondContact O-N 2.7Å; V436-I440 VanDerWaalsContact O-N 3.09Å
437	L	84.5	Confident	89.3	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-51	-49	-169.2	-171.4	67.2	0	0	0	113.6	K383 L384 F387 N439 I440 V441	K383-L437 HydrophobicContact CB-CD1 4.27Å; K383-L437 HydrophobicContact CB-CD2 3.77Å; K383-L437 HydrophobicContact CD-CD2 3.68Å; K383-L437 HydrophobicContact CG-CD2 4.33Å; L384-L437 HydrophobicContact CD2-CD1 3.43Å; L384-L437 VanDerWaalsContact CD2-CD1 3.43Å; L384-L437 HydrophobicContact CG-CD1 3.59Å; F387-L437 HydrophobicContact CD2-CD2 4.18Å; F387-L437 HydrophobicContact CD2-CG 4.31Å; F387-L437 HydrophobicContact CE2-CD2 3.61Å; F387-L437 HydrophobicContact CE2-CG 4.17Å; L437-N439 VanDerWaalsContact C-N 3.29Å; L437-N439 PolarHBondContact O-N 2.91Å; L437-I440 PolarHBondContact O-N 3.18Å; L437-V441 VanDerWaalsContact O-CG2 3.32Å; L437-V441 WeakPolarHBondContact O-CG2 3.35Å; L437-V441 PolarHBondContact O-N 3.13Å
438	Y	83.6	Confident	89.5	Confident	16 Å²	16	25.6 Å²	25.6	6%	0.063	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-35.8	-178.9	66.8	-100.5	0	0	0	112.9	I133 A143 W150 V436 G442	I133-Y438 HydrophobicContact CD1-CE1 4.37Å; A143-Y438 HydrophobicContact CB-CD2 3.74Å; A143-Y438 HydrophobicContact CB-CE2 3.83Å; A143-Y438 HydrophobicContact CB-CG 4.48Å; W150-Y438 HydrophobicContact CH2-CD1 4.09Å; W150-Y438 HydrophobicContact CH2-CE1 4.03Å; W150-Y438 HydrophobicContact CH2-CG 4.46Å; W150-Y438 AromaticContact CZ2-CD1 3.69Å; W150-Y438 HydrophobicContact CZ2-CD1 3.69Å; W150-Y438 HydrophobicContact CZ2-CD2 4.28Å; W150-Y438 HydrophobicContact CZ2-CE1 4.11Å; W150-Y438 AromaticContact CZ2-CG 3.79Å; W150-Y438 HydrophobicContact CZ2-CG 3.79Å; V436-Y438 HydrophobicContact CB-CD1 4.2Å; V436-Y438 HydrophobicContact CB-CE1 3.86Å; V436-Y438 HydrophobicContact CG2-CD1 3.87Å; V436-Y438 HydrophobicContact CG2-CD2 4.32Å; V436-Y438 HydrophobicContact CG2-CE1 3.37Å; V436-Y438 HydrophobicContact CG2-CE2 3.88Å; V436-Y438 HydrophobicContact CG2-CG 4.32Å; V436-Y438 PolarHBondContact O-N 3.06Å; Y438-G442 PolarHBondContact O-N 3.34Å
439	N	86	Confident	89.3	Confident	14 Å²	14	30.4 Å²	30.4	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-75.3	-38.7	-177.9	-166.6	-92	0	0	0	110.4	D139 H431 G433 V436 L437 F443	D139-N439 PolarHBondContact OD1-ND2 3.42Å; H431-N439 PolarHBondContact NE2-OD1 3.05Å; G433-N439 WeakPolarHBondContact CA-OD1 3.24Å; V436-N439 HydrophobicContact CG2-CB 3.61Å; V436-N439 PolarHBondContact O-N 3.37Å; L437-N439 VanDerWaalsContact C-N 3.29Å; L437-N439 PolarHBondContact O-N 2.91Å; N439-F443 VanDerWaalsContact O-CB 3.28Å; N439-F443 WeakPolarHBondContact O-CB 3.15Å; N439-F443 PolarHBondContact O-N 3.29Å
440	I	91.6	Very high	89.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-43.7	173.7	-64.9	167.3	0	0	0	110.8	L367 Y381 L384 V417 V436 L437 F443 A444	L367-I440 HydrophobicContact CD1-CG2 4.38Å; L367-I440 HydrophobicContact CD2-CG2 3.7Å; Y381-I440 HydrophobicContact CE1-CD1 3.83Å; Y381-I440 HydrophobicContact CE2-CD1 4.38Å; Y381-I440 WeakPolarHBondContact OH-CD1 3.32Å; L384-I440 HydrophobicContact CD1-CG2 4.47Å; L384-I440 HydrophobicContact CD2-CG2 3.97Å; V417-I440 HydrophobicContact CG1-CG2 4.04Å; V417-I440 HydrophobicContact CG2-CD1 4.39Å; V436-I440 PolarHBondContact O-N 2.7Å; V436-I440 VanDerWaalsContact O-N 3.09Å; L437-I440 PolarHBondContact O-N 3.18Å; I440-F443 PolarHBondContact O-N 3.41Å; I440-A444 VanDerWaalsContact O-CB 3.31Å; I440-A444 WeakPolarHBondContact O-CB 3.5Å; I440-A444 PolarHBondContact O-N 3.33Å
441	V	90.1	Very high	89.1	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-48	176.9	171.2	0	0	0	0	111.3	S146 L384 F387 L388 L437 F443 A444 R445	S146-V441 WeakPolarHBondContact O-CG1 3.49Å; L384-V441 HydrophobicContact CD2-CG2 3.64Å; F387-V441 HydrophobicContact CB-CG1 4.37Å; F387-V441 HydrophobicContact CB-CG2 3.97Å; F387-V441 HydrophobicContact CD2-CG2 4.15Å; F387-V441 HydrophobicContact CG-CG2 4.43Å; L388-V441 HydrophobicContact CD2-CB 4.37Å; L388-V441 HydrophobicContact CD2-CG1 3.84Å; L388-V441 HydrophobicContact CD2-CG2 4.35Å; L437-V441 VanDerWaalsContact O-CG2 3.32Å; L437-V441 WeakPolarHBondContact O-CG2 3.35Å; L437-V441 PolarHBondContact O-N 3.13Å; V441-F443 PolarHBondContact O-N 2.87Å; V441-A444 PolarHBondContact O-N 2.93Å; V441-R445 PolarHBondContact O-N 2.97Å
442	G	88.6	Confident	89.2	Confident	5 Å²	5	33.4 Å²	33.4	5%	0.052	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-47.6	176.3	0	0	0	0	0	112	Y438 A444 R445 D446	Y438-G442 PolarHBondContact O-N 3.34Å; G442-A444 PolarHBondContact O-N 3.19Å; G442-R445 PolarHBondContact O-N 2.74Å; G442-D446 WeakPolarHBondContact O-CB 3.32Å; G442-D446 VanDerWaalsContact O-CG 3.27Å; G442-D446 PolarHBondContact O-N 3.02Å
443	F	92.3	Very high	89.5	Confident	12 Å²	12	32.4 Å²	32.4	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-48.2	174.3	159	-101.1	0	0	0	112.9	V419 E429 H431 N439 I440 V441 R445 D446 S447	V419-F443 HydrophobicContact CB-CE1 4.03Å; V419-F443 HydrophobicContact CB-CZ 4.46Å; V419-F443 HydrophobicContact CG1-CD1 4.49Å; V419-F443 HydrophobicContact CG1-CE1 3.63Å; V419-F443 HydrophobicContact CG1-CZ 3.65Å; E429-F443 HydrophobicContact CB-CE2 3.94Å; E429-F443 HydrophobicContact CB-CZ 3.92Å; E429-F443 WeakPolarHBondContact O-CZ 3.45Å; H431-F443 HydrophobicContact CB-CD1 3.76Å; H431-F443 HydrophobicContact CB-CE1 3.68Å; H431-F443 HydrophobicContact CB-CE2 4.49Å; H431-F443 HydrophobicContact CB-CG 4.21Å; H431-F443 HydrophobicContact CB-CZ 4.06Å; H431-F443 AromaticContact CD2-CD1 3.79Å; H431-F443 AromaticContact CD2-CG 3.61Å; N439-F443 VanDerWaalsContact O-CB 3.28Å; N439-F443 WeakPolarHBondContact O-CB 3.15Å; N439-F443 PolarHBondContact O-N 3.29Å; I440-F443 PolarHBondContact O-N 3.41Å; V441-F443 PolarHBondContact O-N 2.87Å; F443-R445 PolarHBondContact O-N 2.98Å; F443-D446 PolarHBondContact O-N 3.27Å; F443-S447 WeakPolarHBondContact O-CB 3.34Å; F443-S447 PolarHBondContact O-N 3.06Å
444	A	93.8	Very high	90.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-46.4	-177.1	0	0	0	0	0	110.8	L367 L388 I393 V419 I440 V441 G442 V448	L367-A444 HydrophobicContact CD1-CB 3.99Å; L367-A444 HydrophobicContact CD2-CB 4.36Å; L388-A444 HydrophobicContact CD1-CB 4.16Å; L388-A444 HydrophobicContact CD2-CB 4.15Å; I393-A444 HydrophobicContact CD1-CB 4.25Å; V419-A444 HydrophobicContact CG2-CB 4.31Å; I440-A444 VanDerWaalsContact O-CB 3.31Å; I440-A444 WeakPolarHBondContact O-CB 3.5Å; I440-A444 PolarHBondContact O-N 3.33Å; V441-A444 PolarHBondContact O-N 2.93Å; G442-A444 PolarHBondContact O-N 3.19Å; A444-V448 WeakPolarHBondContact O-CG1 3.47Å; A444-V448 WeakPolarHBondContact O-CG2 3.43Å; A444-V448 PolarHBondContact O-N 3.1Å; A444-V448 VanDerWaalsContact O-N 3.1Å
445	R	91.4	Very high	91	Very high	44 Å²	44	28.2 Å²	28.2	17%	0.166	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-54.3	175.5	-74.5	-175.9	172.4	141.9	9.8	111.8	N145 S146 F387 L388 D391 V441 G442 F443 S447 V448 H449	N145-R445 PolarHBondContact O-NH1 3.33Å; S146-R445 VanDerWaalsContact C-NH1 3.25Å; S146-R445 PolarHBondContact O-NH1 3.01Å; F387-R445 PolarHBondContact O-NH2 3.29Å; L388-R445 HydrophobicContact CD2-CG 4.31Å; D391-R445 IonicContact OD1-NE 3.75Å; D391-R445 PolarHBondContact OD1-NE 2.85Å; D391-R445 IonicContact OD2-CZ 3.7Å; D391-R445 IonicContact OD2-NE 2.78Å; D391-R445 PolarHBondContact OD2-NE 2.92Å; D391-R445 IonicContact OD2-NH2 3.98Å; D391-R445 PolarHBondContact OD2-NH2 2.99Å; V441-R445 PolarHBondContact O-N 2.97Å; G442-R445 PolarHBondContact O-N 2.74Å; F443-R445 PolarHBondContact O-N 2.98Å; R445-S447 VanDerWaalsContact C-N 3.28Å; R445-S447 PolarHBondContact O-N 3.23Å; R445-V448 WeakPolarHBondContact O-CG2 3.09Å; R445-V448 PolarHBondContact O-N 3.26Å; R445-H449 PolarHBondContact O-CD2 2.79Å; R445-H449 PolarHBondContact O-N 3.01Å
446	D	90.4	Very high	91.6	Very high	81 Å²	81	23 Å²	23	43%	0.433	12%	0.115	S	C	.	.	H	α-helix	trans	-60.1	-41.3	-176.7	-71.9	-8.6	0	0	0	111.5	G442 F443 A450	G442-D446 WeakPolarHBondContact O-CB 3.32Å; G442-D446 VanDerWaalsContact O-CG 3.27Å; G442-D446 PolarHBondContact O-N 3.02Å; F443-D446 PolarHBondContact O-N 3.27Å; D446-A450 VanDerWaalsContact O-CB 3.26Å; D446-A450 WeakPolarHBondContact O-CB 3.47Å; D446-A450 PolarHBondContact O-N 2.75Å
447	S	94.6	Very high	92	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.1	-47.7	-178.2	174.6	0	0	0	0	112.6	V419 K421 E429 F443 R445 H449 A450	V419-S447 VanDerWaalsContact CG1-CB 3.46Å; V419-S447 WeakPolarHBondContact CG1-OG 3.38Å; K421-S447 WeakPolarHBondContact CE-O 3.38Å; K421-S447 WeakPolarHBondContact CE-OG 3.45Å; K421-S447 PolarHBondContact NZ-O 3.35Å; E429-S447 WeakPolarHBondContact CB-OG 3.33Å; E429-S447 VanDerWaalsContact CD-OG 3.25Å; E429-S447 PolarHBondContact OE1-OG 3.47Å; F443-S447 WeakPolarHBondContact O-CB 3.34Å; F443-S447 PolarHBondContact O-N 3.06Å; R445-S447 VanDerWaalsContact C-N 3.28Å; R445-S447 PolarHBondContact O-N 3.23Å; S447-H449 PolarHBondContact O-N 3.44Å; S447-A450 PolarHBondContact O-N 3.36Å
448	V	93.3	Very high	92.3	Very high	10 Å²	10	28.1 Å²	28.1	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-66.4	-21.2	-177.8	-62.6	0	0	0	0	113.7	R365 I393 V419 A444 R445	R365-V448 HydrophobicContact CB-CG1 4.42Å; R365-V448 HydrophobicContact CG-CG1 4.35Å; I393-V448 HydrophobicContact CD1-CB 4.36Å; I393-V448 HydrophobicContact CD1-CG1 3.75Å; I393-V448 HydrophobicContact CD1-CG2 3.72Å; I393-V448 HydrophobicContact CG1-CG1 4.18Å; I393-V448 HydrophobicContact CG1-CG2 4.33Å; V419-V448 HydrophobicContact CG2-CG1 3.52Å; A444-V448 WeakPolarHBondContact O-CG1 3.47Å; A444-V448 WeakPolarHBondContact O-CG2 3.43Å; A444-V448 PolarHBondContact O-N 3.1Å; A444-V448 VanDerWaalsContact O-N 3.1Å; R445-V448 WeakPolarHBondContact O-CG2 3.09Å; R445-V448 PolarHBondContact O-N 3.26Å
449	H	91.3	Very high	92.6	Very high	102 Å²	102	28.2 Å²	28.2	47%	0.472	15%	0.146	S	C	.	.	H	α-helix	trans	-90.1	-14.2	174.9	-72.2	-65.1	0	0	0	113.3	R445 S447	R445-H449 PolarHBondContact O-CD2 2.79Å; R445-H449 PolarHBondContact O-N 3.01Å; S447-H449 PolarHBondContact O-N 3.44Å
450	A	94.9	Very high	92.9	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.017	15%	0.146	C	C	.	.	S	Bend	trans	-97.9	165.4	-179.7	0	0	0	0	0	113	K421 D446 S447 R488 I492	K421-A450 PolarHBondContact NZ-O 2.88Å; D446-A450 VanDerWaalsContact O-CB 3.26Å; D446-A450 WeakPolarHBondContact O-CB 3.47Å; D446-A450 PolarHBondContact O-N 2.75Å; S447-A450 PolarHBondContact O-N 3.36Å; A450-R488 HydrophobicContact CB-CB 3.52Å; A450-R488 HydrophobicContact CB-CG 3.6Å; A450-I492 HydrophobicContact CB-CD1 4.4Å; A450-I492 HydrophobicContact CB-CG1 4.33Å
451	H	94.9	Very high	92.7	Very high	103 Å²	103	28.5 Å²	28.5	48%	0.477	15%	0.148	S	C	.	.			trans	-110.9	30.2	-176.5	-55.7	-52.8	0	0	0	113.2	S491	H451-S491 PolarHBondContact CD2-O 3.01Å; H451-S491 PolarHBondContact N-OG 3.47Å
452	V	96.4	Very high	92	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.5	173.8	-176.7	0	0	0	0	109.8	K421 E429 L487 R488 F500 T502	K421-V452 WeakPolarHBondContact CE-O 3.16Å; K421-V452 PolarHBondContact NZ-O 2.78Å; E429-V452 WeakPolarHBondContact CG-O 3.21Å; V452-L487 HydrophobicContact CG1-CD2 3.97Å; V452-L487 HydrophobicContact CG2-CD2 4.28Å; V452-L487 HydrophobicContact CG2-CG 4.03Å; V452-R488 HydrophobicContact CG2-CG 3.98Å; V452-F500 HydrophobicContact CB-CB 4.39Å; V452-F500 HydrophobicContact CG2-CB 3.96Å; V452-T502 HydrophobicContact CG1-CG2 3.68Å
453	T	95.6	Very high	91	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.7	177.1	-168.6	0	0	0	0	112.4	H426 D427 L455 W468 F500 G501 T502	H426-T453 PolarHBondContact O-OG1 2.9Å; H426-T453 VanDerWaalsContact O-OG1 3.04Å; D427-T453 PolarHBondContact OD1-OG1 3.23Å; T453-L455 HydrophobicContact CG2-CD2 4.23Å; T453-L455 PolarHBondContact O-N 3.05Å; T453-W468 HydrophobicContact CG2-CH2 4.19Å; T453-W468 HydrophobicContact CG2-CZ3 3.99Å; T453-F500 PolarHBondContact N-O 2.86Å; T453-G501 CarbonylContact O-C 3.52Å; T453-G501 VanDerWaalsContact O-CA 3.25Å; T453-G501 WeakPolarHBondContact O-CA 3.31Å; T453-T502 PolarHBondContact O-N 3.07Å
454	T	96.4	Very high	89.9	Confident	17 Å²	17	43.3 Å²	43.3	10%	0.104	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.4	172.3	-55.2	0	0	0	0	109.5	F428 E429 R456 N459	F428-T454 HydrophobicContact CE2-CG2 4.12Å; F428-T454 HydrophobicContact CZ-CG2 4.2Å; F428-T454 WeakPolarHBondContact O-CB 3.44Å; F428-T454 PolarHBondContact O-N 2.89Å; F428-T454 PolarHBondContact O-OG1 2.94Å; E429-T454 WeakPolarHBondContact CA-OG1 3.23Å; T454-R456 PolarHBondContact O-NH1 2.88Å; T454-N459 PolarHBondContact O-ND2 3.45Å; T454-N459 VanDerWaalsContact O-ND2 3.14Å
455	L	95.8	Very high	89.1	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.			trans	-84.8	149.8	173.3	-65.4	-179.5	0	0	0	111.1	T453 N459 F460 W468 V470 T502 L503	T453-L455 HydrophobicContact CG2-CD2 4.23Å; T453-L455 PolarHBondContact O-N 3.05Å; L455-N459 WeakPolarHBondContact CA-OD1 3.24Å; L455-F460 HydrophobicContact CB-CD2 4.31Å; L455-F460 HydrophobicContact CD1-CD2 4.02Å; L455-F460 HydrophobicContact CD1-CE2 4.05Å; L455-W468 HydrophobicContact CD2-CE3 4.39Å; L455-W468 HydrophobicContact CD2-CH2 4.18Å; L455-W468 HydrophobicContact CD2-CZ3 3.69Å; L455-V470 HydrophobicContact CD1-CB 4.28Å; L455-V470 HydrophobicContact CD1-CG1 3.68Å; L455-V470 HydrophobicContact CD1-CG2 3.72Å; L455-T502 WeakPolarHBondContact CB-O 3.16Å; L455-T502 PolarHBondContact N-O 2.85Å; L455-L503 HydrophobicContact CB-CB 4.34Å; L455-L503 HydrophobicContact CB-CD1 3.88Å; L455-L503 WeakPolarHBondContact O-CD1 3.49Å
456	R	93.8	Very high	88.8	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.019	28%	0.278	C	S	.	.			trans	-148.8	166.6	-179.2	-66.9	-178.7	-56.7	-71.8	-7.2	107.9	Y411 T454 D458 N459 F460	Y411-R456 HydrophobicContact CD2-CB 4.45Å; Y411-R456 VanDerWaalsContact CD2-CD 3.4Å; Y411-R456 HydrophobicContact CD2-CG 3.99Å; Y411-R456 HydrophobicContact CE2-CB 4.19Å; Y411-R456 HydrophobicContact CE2-CG 4.22Å; T454-R456 PolarHBondContact O-NH1 2.88Å; R456-D458 WeakPolarHBondContact CB-OD1 3.42Å; R456-D458 IonicContact CZ-OD1 3.95Å; R456-D458 IonicContact CZ-OD2 3.03Å; R456-D458 IonicContact NE-OD1 3.92Å; R456-D458 PolarHBondContact NE-OD1 2.6Å; R456-D458 IonicContact NE-OD2 2.79Å; R456-D458 IonicContact NH2-OD1 3.51Å; R456-D458 IonicContact NH2-OD2 2.62Å; R456-D458 PolarHBondContact NH2-OD2 2.65Å; R456-D458 PolarHBondContact O-N 2.82Å; R456-D458 VanDerWaalsContact O-N 3.12Å; R456-N459 PolarHBondContact N-OD1 2.83Å; R456-N459 PolarHBondContact NH2-ND2 3.42Å; R456-N459 PolarHBondContact O-N 3.2Å; R456-N459 VanDerWaalsContact O-N 3.14Å; R456-N459 PolarHBondContact O-OD1 3.25Å; R456-F460 WeakPolarHBondContact O-CB 3.11Å; R456-F460 PolarHBondContact O-N 3.35Å
457	P	92.9	Very high	88.8	Confident	69 Å²	69	53.3 Å²	53.3	45%	0.448	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.9	177.8	-29.1	36	0	0	0	114.3	H508	P457-H508 WeakPolarHBondContact CD-CE1 3.39Å
458	D	90.1	Very high	88.8	Confident	92 Å²	92	54 Å²	54	49%	0.492	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.2	-179	57.9	-70.6	0	0	0	114.4	R456	R456-D458 WeakPolarHBondContact CB-OD1 3.42Å; R456-D458 IonicContact CZ-OD1 3.95Å; R456-D458 IonicContact CZ-OD2 3.03Å; R456-D458 IonicContact NE-OD1 3.92Å; R456-D458 PolarHBondContact NE-OD1 2.6Å; R456-D458 IonicContact NE-OD2 2.79Å; R456-D458 IonicContact NH2-OD1 3.51Å; R456-D458 IonicContact NH2-OD2 2.62Å; R456-D458 PolarHBondContact NH2-OD2 2.65Å; R456-D458 PolarHBondContact O-N 2.82Å; R456-D458 VanDerWaalsContact O-N 3.12Å
459	N	91.1	Very high	88.8	Confident	18 Å²	18	53.5 Å²	53.5	10%	0.096	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	4.4	-174.5	73	-6.7	0	0	0	114	T454 L455 R456	T454-N459 PolarHBondContact O-ND2 3.45Å; T454-N459 VanDerWaalsContact O-ND2 3.14Å; L455-N459 WeakPolarHBondContact CA-OD1 3.24Å; R456-N459 PolarHBondContact N-OD1 2.83Å; R456-N459 PolarHBondContact NH2-ND2 3.42Å; R456-N459 PolarHBondContact O-N 3.2Å; R456-N459 VanDerWaalsContact O-N 3.14Å; R456-N459 PolarHBondContact O-OD1 3.25Å
460	F	92.6	Very high	89	Confident	16 Å²	16	48.7 Å²	48.7	7%	0.07	25%	0.246	C	C	.	.			trans	-60.8	136.8	-178.3	-162.4	-92.9	0	0	0	112.4	L455 R456 S462 V470 F472 L503 L511 Y515 F526	L455-F460 HydrophobicContact CB-CD2 4.31Å; L455-F460 HydrophobicContact CD1-CD2 4.02Å; L455-F460 HydrophobicContact CD1-CE2 4.05Å; R456-F460 WeakPolarHBondContact O-CB 3.11Å; R456-F460 PolarHBondContact O-N 3.35Å; F460-S462 PolarHBondContact O-N 3.32Å; F460-V470 HydrophobicContact CE2-CG1 4.07Å; F460-V470 HydrophobicContact CZ-CG1 4.42Å; F460-F472 HydrophobicContact CE2-CE1 4.15Å; F460-F472 HydrophobicContact CE2-CZ 4.15Å; F460-F472 HydrophobicContact CZ-CE1 4.14Å; F460-F472 AromaticContact CZ-CZ 3.76Å; F460-F472 HydrophobicContact CZ-CZ 3.76Å; F460-L503 HydrophobicContact CD2-CD1 4.35Å; F460-L503 HydrophobicContact CD2-CD2 4.39Å; F460-L503 HydrophobicContact CE2-CD2 3.99Å; F460-L511 HydrophobicContact CB-CD2 4.25Å; F460-L511 HydrophobicContact CD1-CD1 4.34Å; F460-L511 HydrophobicContact CD2-CD2 3.66Å; F460-L511 HydrophobicContact CD2-CG 4.36Å; F460-L511 HydrophobicContact CE2-CD2 4.19Å; F460-L511 HydrophobicContact CE2-CG 4.49Å; F460-L511 HydrophobicContact CG-CD1 4.37Å; F460-L511 HydrophobicContact CG-CD2 3.93Å; F460-Y515 HydrophobicContact CD1-CE2 4.07Å; F460-Y515 HydrophobicContact CE1-CD2 4.18Å; F460-Y515 AromaticContact CE1-CE2 3.26Å; F460-Y515 HydrophobicContact CE1-CE2 3.26Å; F460-Y515 AromaticContact CE1-CZ 3.56Å; F460-Y515 WeakPolarHBondContact CE1-OH 3.18Å; F460-Y515 HydrophobicContact CZ-CD2 4.1Å; F460-Y515 AromaticContact CZ-CE2 3.64Å; F460-Y515 HydrophobicContact CZ-CE2 3.64Å; F460-F526 HydrophobicContact CE1-CE1 4.22Å; F460-F526 HydrophobicContact CE1-CZ 4.14Å; F460-F526 HydrophobicContact CZ-CE1 4.42Å; F460-F526 HydrophobicContact CZ-CE2 4.28Å; F460-F526 AromaticContact CZ-CZ 3.88Å; F460-F526 HydrophobicContact CZ-CZ 3.88Å
461	P	87.4	Confident	89	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.032	25%	0.245	C	C	.	.			trans	-82.7	45.9	-170.1	35.3	-39.1	0	0	0	114.5	N463 R464 W468 V470	P461-N463 VanDerWaalsContact C-N 3.31Å; P461-N463 PolarHBondContact O-N 2.81Å; P461-R464 HydrophobicContact CB-CB 4.49Å; P461-R464 HydrophobicContact CB-CG 4.37Å; P461-W468 HydrophobicContact CB-CB 4.17Å; P461-W468 HydrophobicContact CB-CD2 3.61Å; P461-W468 HydrophobicContact CB-CE3 4.34Å; P461-W468 HydrophobicContact CB-CG 3.5Å; P461-W468 VanDerWaalsContact CB-CG 3.5Å; P461-W468 HydrophobicContact CB-CZ2 4.43Å; P461-W468 HydrophobicContact CG-CB 3.9Å; P461-W468 HydrophobicContact CG-CD2 3.7Å; P461-W468 HydrophobicContact CG-CE3 4.03Å; P461-W468 HydrophobicContact CG-CG 3.65Å; P461-V470 HydrophobicContact CG-CG2 3.98Å
462	S	74.6	Confident	89	Confident	64 Å²	64	43.7 Å²	43.7	45%	0.448	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.7	-174.3	54.1	0	0	0	0	115	F460	F460-S462 PolarHBondContact O-N 3.32Å
463	N	67.9	Low	88.8	Confident	153 Å²	153	43.8 Å²	43.8	82%	0.818	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132	23.8	-173.4	-69.7	-32.8	0	0	0	113.6	P461	P461-N463 VanDerWaalsContact C-N 3.31Å; P461-N463 PolarHBondContact O-N 2.81Å
464	R	68.8	Low	88.2	Confident	112 Å²	112	43 Å²	43	42%	0.423	22%	0.218	S	C	.	.			trans	-88.5	142.1	-175	-63.8	-168.5	-178	-146.5	4.5	111.5	P461 E466	P461-R464 HydrophobicContact CB-CB 4.49Å; P461-R464 HydrophobicContact CB-CG 4.37Å; R464-E466 VanDerWaalsContact C-N 3.33Å
465	K	76.3	Confident	87.5	Confident	203 Å²	203	43 Å²	43	88%	0.883	22%	0.218	S	C	*	.	S	Bend	trans	-73.4	-25.4	177.2	-70.2	-173.9	177.8	-177.4	0	113.2
466	E	86.4	Confident	86.3	Confident	94 Å²	94	48.2 Å²	48.2	44%	0.439	24%	0.238	S	C	.	.	S	Bend	trans	-80.3	143.8	179.4	-62.8	169.6	170.5	0	0	110	R464 W468 K499	R464-E466 VanDerWaalsContact C-N 3.33Å; E466-W468 VanDerWaalsContact O-CD1 3.31Å; E466-K499 IonicContact OE1-NZ 3.99Å; E466-K499 WeakPolarHBondContact OE2-CE 3.38Å; E466-K499 IonicContact OE2-NZ 3.89Å; E466-K499 PolarHBondContact OE2-NZ 2.69Å
467	P	90	Very high	85.1	Confident	37 Å²	37	48.2 Å²	48.2	24%	0.24	24%	0.239	C	C	.	.			trans	-72.3	139.6	177.4	28.9	-33.4	0	0	0	111.5	Q497 M498 K499 F526 N527	P467-Q497 VanDerWaalsContact CG-O 3.24Å; P467-Q497 WeakPolarHBondContact CG-O 3.2Å; P467-M498 HydrophobicContact CB-CB 4.17Å; P467-M498 HydrophobicContact CG-CB 3.86Å; P467-M498 WeakPolarHBondContact O-CA 3.3Å; P467-M498 WeakPolarHBondContact O-CB 3.45Å; P467-K499 PolarHBondContact O-N 2.88Å; P467-F526 CarbonylContact C-O 3.56Å; P467-F526 VanDerWaalsContact CA-O 3.23Å; P467-F526 WeakPolarHBondContact CA-O 3.29Å; P467-N527 HydrophobicContact CB-CB 4.42Å
468	W	93.4	Very high	83.7	Confident	14 Å²	14	45.6 Å²	45.6	5%	0.053	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.8	176.1	-78.7	71.6	0	0	0	110.4	T453 L455 P461 E466 V470 K499 I525 F526	T453-W468 HydrophobicContact CG2-CH2 4.19Å; T453-W468 HydrophobicContact CG2-CZ3 3.99Å; L455-W468 HydrophobicContact CD2-CE3 4.39Å; L455-W468 HydrophobicContact CD2-CH2 4.18Å; L455-W468 HydrophobicContact CD2-CZ3 3.69Å; P461-W468 HydrophobicContact CB-CB 4.17Å; P461-W468 HydrophobicContact CB-CD2 3.61Å; P461-W468 HydrophobicContact CB-CE3 4.34Å; P461-W468 HydrophobicContact CB-CG 3.5Å; P461-W468 VanDerWaalsContact CB-CG 3.5Å; P461-W468 HydrophobicContact CB-CZ2 4.43Å; P461-W468 HydrophobicContact CG-CB 3.9Å; P461-W468 HydrophobicContact CG-CD2 3.7Å; P461-W468 HydrophobicContact CG-CE3 4.03Å; P461-W468 HydrophobicContact CG-CG 3.65Å; E466-W468 VanDerWaalsContact O-CD1 3.31Å; W468-V470 HydrophobicContact CB-CG2 4.2Å; W468-K499 CarbonylContact C-O 3.52Å; W468-K499 VanDerWaalsContact CA-O 3.3Å; W468-K499 WeakPolarHBondContact CA-O 3.37Å; W468-K499 HydrophobicContact CD2-CB 3.51Å; W468-K499 HydrophobicContact CE3-CB 3.76Å; W468-K499 HydrophobicContact CG-CB 4.02Å; W468-K499 HydrophobicContact CH2-CB 4.06Å; W468-K499 HydrophobicContact CH2-CD 4.09Å; W468-K499 HydrophobicContact CZ2-CB 3.83Å; W468-K499 HydrophobicContact CZ2-CD 3.4Å; W468-K499 HydrophobicContact CZ2-CG 4.22Å; W468-K499 HydrophobicContact CZ3-CB 4Å; W468-I525 CarbonylContact O-C 3.55Å; W468-I525 VanDerWaalsContact O-CA 3.26Å; W468-I525 WeakPolarHBondContact O-CA 3.31Å; W468-F526 HydrophobicContact CB-CB 4.25Å; W468-F526 PolarHBondContact N-O 3.35Å; W468-F526 PolarHBondContact O-N 3.12Å
469	L	93.8	Very high	82.4	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.6	161.3	-175.3	157.6	0	0	0	107.4	L487 M498 K499 F500 G501 T523 I525 I543 I547	L469-L487 HydrophobicContact CD2-CD1 3.36Å; L469-M498 HydrophobicContact CB-CE 3.55Å; L469-M498 HydrophobicContact CB-SD 4.28Å; L469-K499 PolarHBondContact N-O 2.8Å; L469-F500 HydrophobicContact CB-CD1 4.16Å; L469-F500 HydrophobicContact CB-CE1 4.1Å; L469-F500 HydrophobicContact CD1-CE1 3.93Å; L469-F500 HydrophobicContact CD2-CD1 3.9Å; L469-F500 HydrophobicContact CD2-CE1 4.04Å; L469-F500 HydrophobicContact CG-CD1 4.45Å; L469-F500 HydrophobicContact CG-CE1 4.27Å; L469-F500 CarbonylContact O-C 3.47Å; L469-F500 WeakPolarHBondContact O-CA 3.46Å; L469-G501 PolarHBondContact O-N 3.3Å; L469-T523 HydrophobicContact CD1-CG2 4.05Å; L469-T523 HydrophobicContact CD2-CG2 3.37Å; L469-T523 HydrophobicContact CG-CG2 3.65Å; L469-I525 HydrophobicContact CB-CG1 4.16Å; L469-I525 HydrophobicContact CD1-CD1 4.15Å; L469-I525 HydrophobicContact CD1-CG1 4.03Å; L469-I525 HydrophobicContact CG-CG1 4.02Å; L469-I543 HydrophobicContact CD1-CG2 3.6Å; L469-I547 HydrophobicContact CD1-CD1 4.05Å
470	V	95.6	Very high	81.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121	-177.1	178.8	0	0	0	0	108.9	L455 F460 P461 W468 F472 G501 L503 T523 V524 F526	L455-V470 HydrophobicContact CD1-CB 4.28Å; L455-V470 HydrophobicContact CD1-CG1 3.68Å; L455-V470 HydrophobicContact CD1-CG2 3.72Å; F460-V470 HydrophobicContact CE2-CG1 4.07Å; F460-V470 HydrophobicContact CZ-CG1 4.42Å; P461-V470 HydrophobicContact CG-CG2 3.98Å; W468-V470 HydrophobicContact CB-CG2 4.2Å; V470-F472 HydrophobicContact CB-CE2 4.16Å; V470-F472 HydrophobicContact CG1-CD2 4Å; V470-F472 HydrophobicContact CG1-CE1 4.41Å; V470-F472 HydrophobicContact CG1-CE2 3.72Å; V470-F472 HydrophobicContact CG1-CG 4.48Å; V470-F472 HydrophobicContact CG1-CZ 3.96Å; V470-G501 CarbonylContact C-O 3.46Å; V470-G501 WeakPolarHBondContact CA-O 3.22Å; V470-L503 HydrophobicContact CG1-CB 4.47Å; V470-T523 CarbonylContact O-C 3.51Å; V470-T523 WeakPolarHBondContact O-CA 2.94Å; V470-V524 PolarHBondContact N-O 3.24Å; V470-V524 PolarHBondContact O-N 3.47Å; V470-F526 HydrophobicContact CB-CD2 4.07Å; V470-F526 HydrophobicContact CB-CE2 3.78Å; V470-F526 HydrophobicContact CG1-CE2 4.49Å; V470-F526 HydrophobicContact CG2-CD2 3.64Å; V470-F526 HydrophobicContact CG2-CE2 3.73Å
471	D	95.6	Very high	81.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.6	171.2	-177.5	37.3	0	0	0	110.2	L487 G501 T502 L503 P521 T523	D471-L487 HydrophobicContact CB-CD2 3.84Å; D471-G501 PolarHBondContact N-O 2.82Å; D471-T502 HydrophobicContact CB-CG2 4.23Å; D471-T502 CarbonylContact O-C 3.25Å; D471-T502 WeakPolarHBondContact O-CA 3.25Å; D471-L503 PolarHBondContact O-N 3.3Å; D471-P521 VanDerWaalsContact OD1-CB 3.29Å; D471-P521 WeakPolarHBondContact OD1-CB 3.38Å; D471-T523 PolarHBondContact OD1-OG1 2.88Å
472	F	95.2	Very high	80.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.2	172.4	-64.6	-94.1	0	0	0	108.7	F460 V470 L503 Y515 I517 P521 T522 V524 F526	F460-F472 HydrophobicContact CE2-CE1 4.15Å; F460-F472 HydrophobicContact CE2-CZ 4.15Å; F460-F472 HydrophobicContact CZ-CE1 4.14Å; F460-F472 AromaticContact CZ-CZ 3.76Å; F460-F472 HydrophobicContact CZ-CZ 3.76Å; V470-F472 HydrophobicContact CB-CE2 4.16Å; V470-F472 HydrophobicContact CG1-CD2 4Å; V470-F472 HydrophobicContact CG1-CE1 4.41Å; V470-F472 HydrophobicContact CG1-CE2 3.72Å; V470-F472 HydrophobicContact CG1-CG 4.48Å; V470-F472 HydrophobicContact CG1-CZ 3.96Å; F472-L503 HydrophobicContact CD1-CB 4.21Å; F472-L503 HydrophobicContact CD1-CD2 3.64Å; F472-L503 HydrophobicContact CD1-CG 4.48Å; F472-L503 HydrophobicContact CE1-CD2 3.55Å; F472-Y515 HydrophobicContact CE1-CD2 4.19Å; F472-Y515 HydrophobicContact CZ-CD2 4.02Å; F472-Y515 HydrophobicContact CZ-CG 4.2Å; F472-I517 HydrophobicContact CB-CD1 4.09Å; F472-I517 HydrophobicContact CB-CG1 4Å; F472-I517 HydrophobicContact CB-CG2 3.93Å; F472-I517 HydrophobicContact CD1-CD1 4.09Å; F472-I517 HydrophobicContact CD1-CG1 3.7Å; F472-I517 HydrophobicContact CD2-CD1 3.6Å; F472-I517 HydrophobicContact CD2-CG1 4.15Å; F472-I517 HydrophobicContact CE1-CD1 4.38Å; F472-I517 HydrophobicContact CE1-CG1 4.11Å; F472-I517 HydrophobicContact CE2-CD1 3.91Å; F472-I517 HydrophobicContact CG-CD1 3.68Å; F472-I517 HydrophobicContact CG-CG1 3.71Å; F472-I517 HydrophobicContact CZ-CD1 4.28Å; F472-I517 HydrophobicContact CZ-CG1 4.48Å; F472-P521 WeakPolarHBondContact O-CA 3.33Å; F472-T522 WeakPolarHBondContact CB-O 3.33Å; F472-T522 WeakPolarHBondContact CD2-O 3.42Å; F472-T522 PolarHBondContact N-O 3.24Å; F472-T522 PolarHBondContact O-N 2.92Å; F472-V524 HydrophobicContact CD2-CB 4.34Å; F472-V524 HydrophobicContact CD2-CG2 3.86Å; F472-V524 HydrophobicContact CE2-CB 3.91Å; F472-V524 HydrophobicContact CE2-CG2 3.72Å; F472-F526 AromaticContact CE2-CE2 3.96Å; F472-F526 HydrophobicContact CE2-CE2 3.96Å; F472-F526 HydrophobicContact CE2-CZ 4.13Å; F472-F526 HydrophobicContact CZ-CE2 4.17Å; F472-F526 AromaticContact CZ-CZ 3.97Å; F472-F526 HydrophobicContact CZ-CZ 3.97Å
473	F	91.4	Very high	81.2	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	169.4	-169.3	87.8	-71.3	0	0	0	112.7	H432 P475 C480 L503 D504 C505	H432-F473 AromaticContact CD2-CE2 3.65Å; H432-F473 AromaticContact CD2-CZ 3.7Å; H432-F473 AromaticContact NE2-CE2 3.79Å; H432-F473 AromaticContact NE2-CZ 3.38Å; H432-F473 WeakPolarHBondContact NE2-CZ 3.29Å; F473-P475 HydrophobicContact CE2-CB 4.48Å; F473-P475 HydrophobicContact CE2-CG 4.08Å; F473-P475 HydrophobicContact CZ-CG 4.41Å; F473-C480 HydrophobicContact CB-CB 3.87Å; F473-C480 HydrophobicContact CD2-CB 4.01Å; F473-C480 HydrophobicContact CG-CB 4.43Å; F473-L503 VanDerWaalsContact CD1-O 3.3Å; F473-L503 WeakPolarHBondContact CD1-O 3.15Å; F473-L503 PolarHBondContact N-O 2.9Å; F473-D504 HydrophobicContact CE1-CB 4.13Å; F473-D504 HydrophobicContact CZ-CB 4.34Å; F473-C505 PolarHBondContact O-N 3.01Å
474	A	83.6	Confident	82.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.			trans	-121.7	134.3	168	0	0	0	0	0	109	W476 C477 T506 Y520	A474-W476 HydrophobicContact CB-CD2 3.99Å; A474-W476 HydrophobicContact CB-CG 4.29Å; A474-W476 HydrophobicContact CB-CH2 4.47Å; A474-W476 HydrophobicContact CB-CZ2 3.78Å; A474-W476 PolarHBondContact O-N 3.19Å; A474-C477 HydrophobicContact CB-CB 4.19Å; A474-C477 VanDerWaalsContact O-CB 3.3Å; A474-C477 WeakPolarHBondContact O-CB 3.45Å; A474-C477 PolarHBondContact O-N 3.44Å; A474-T506 HydrophobicContact CB-CG2 3.73Å; A474-Y520 HydrophobicContact CB-CD2 3.73Å; A474-Y520 HydrophobicContact CB-CE2 4.14Å; A474-Y520 HydrophobicContact CB-CG 4.19Å
475	P	82	Confident	83.3	Confident	16 Å²	16	33.8 Å²	33.8	10%	0.104	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.5	-179.8	-29.1	35	0	0	0	113.7	H432 F473 C477 R481 D504	H432-P475 HydrophobicContact CB-CB 4.42Å; F473-P475 HydrophobicContact CE2-CB 4.48Å; F473-P475 HydrophobicContact CE2-CG 4.08Å; F473-P475 HydrophobicContact CZ-CG 4.41Å; P475-C477 PolarHBondContact O-N 2.96Å; P475-R481 WeakPolarHBondContact O-CD 3.44Å; P475-D504 VanDerWaalsContact CD-CG 3.44Å; P475-D504 WeakPolarHBondContact CD-OD1 3.46Å; P475-D504 WeakPolarHBondContact CD-OD2 3.16Å; P475-D504 WeakPolarHBondContact CG-OD2 3.27Å
476	W	70.6	Confident	83.9	Confident	111 Å²	111	26.1 Å²	26.1	42%	0.42	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.9	175.7	56.2	-103.5	0	0	0	111.8	K95 K99 A474 Y520	K95-W476 HydrophobicContact CB-CE3 3.98Å; K95-W476 HydrophobicContact CB-CZ3 3.85Å; K95-W476 HydrophobicContact CD-CE3 4.06Å; K95-W476 WeakPolarHBondContact CD-O 3.4Å; K95-W476 WeakPolarHBondContact CE-O 3.32Å; K95-W476 HydrophobicContact CG-CE3 4.06Å; K95-W476 HydrophobicContact CG-CZ3 4.44Å; K95-W476 PolarHBondContact NZ-O 3.08Å; K99-W476 HydrophobicContact CD-CH2 4.14Å; A474-W476 HydrophobicContact CB-CD2 3.99Å; A474-W476 HydrophobicContact CB-CG 4.29Å; A474-W476 HydrophobicContact CB-CH2 4.47Å; A474-W476 HydrophobicContact CB-CZ2 3.78Å; A474-W476 PolarHBondContact O-N 3.19Å; W476-Y520 HydrophobicContact CH2-CD2 4.09Å; W476-Y520 HydrophobicContact CZ2-CD2 4.03Å; W476-Y520 HydrophobicContact CZ2-CE2 4.19Å
477	C	68.5	Low	84.2	Confident	4 Å²	4	21.7 Å²	21.7	3%	0.027	12%	0.116	C	C	.	.			trans	-84.6	132.9	-172.8	150.2	0	0	0	0	113.7	A474 P475 C480 R481 Y520	A474-C477 HydrophobicContact CB-CB 4.19Å; A474-C477 VanDerWaalsContact O-CB 3.3Å; A474-C477 WeakPolarHBondContact O-CB 3.45Å; A474-C477 PolarHBondContact O-N 3.44Å; P475-C477 PolarHBondContact O-N 2.96Å; C477-C480 HydrophobicContact CB-CB 3.69Å; C477-C480 WeakPolarHBondContact CB-SG 3.41Å; C477-C480 VanDerWaalsContact O-CB 3.31Å; C477-C480 WeakPolarHBondContact O-CB 3.12Å; C477-C480 WeakPolarHBondContact SG-CB 3.31Å; C477-C480 PolarHBondContact SG-N 3Å; C477-C480 CovalentContact SG-SG 2.04Å; C477-C480 PolarHBondContact SG-SG 2.96Å; C477-R481 WeakPolarHBondContact O-CG 3.18Å; C477-R481 PolarHBondContact O-N 3.18Å; C477-Y520 PolarHBondContact SG-O 2.7Å
478	P	62.4	Low	84.5	Confident	14 Å²	14	20.7 Å²	20.7	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-74.2	-53.5	-173.7	0.7	13	0	0	0	113.6	E91 D92 K95 C480 R481 A482	E91-P478 HydrophobicContact CB-CB 3.48Å; E91-P478 VanDerWaalsContact CB-CB 3.48Å; E91-P478 HydrophobicContact CB-CG 3.47Å; E91-P478 VanDerWaalsContact CB-CG 3.47Å; E91-P478 HydrophobicContact CG-CB 4.48Å; E91-P478 WeakPolarHBondContact O-CG 3.43Å; E91-P478 VanDerWaalsContact OE2-CB 3.29Å; E91-P478 WeakPolarHBondContact OE2-CB 3.3Å; D92-P478 VanDerWaalsContact OD1-CB 3.3Å; D92-P478 WeakPolarHBondContact OD1-CB 3.28Å; D92-P478 VanDerWaalsContact OD1-CG 3.23Å; D92-P478 WeakPolarHBondContact OD1-CG 3.31Å; K95-P478 HydrophobicContact CD-CG 3.38Å; P478-C480 PolarHBondContact O-N 3.39Å; P478-C480 VanDerWaalsContact O-N 3.16Å; P478-R481 PolarHBondContact O-N 2.73Å; P478-A482 WeakPolarHBondContact O-CB 3.23Å; P478-A482 PolarHBondContact O-N 2.72Å
479	P	64.1	Low	84.5	Confident	36 Å²	36	25.1 Å²	25.1	23%	0.234	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-28.2	176.2	-24.1	37.2	0	0	0	110.3	D92 A482 L483 P521	D92-P479 WeakPolarHBondContact OD1-CD 3.44Å; D92-P479 WeakPolarHBondContact OD1-CG 3.42Å; P479-A482 PolarHBondContact O-N 2.77Å; P479-L483 WeakPolarHBondContact O-CB 3.29Å; P479-L483 PolarHBondContact O-N 2.9Å; P479-P521 HydrophobicContact CB-CG 4.37Å
480	C	80.3	Confident	84.4	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-56.3	171.1	-54.5	0	0	0	0	111.5	F473 C477 P478 A482 L483 L484 Y520 P521	F473-C480 HydrophobicContact CB-CB 3.87Å; F473-C480 HydrophobicContact CD2-CB 4.01Å; F473-C480 HydrophobicContact CG-CB 4.43Å; C477-C480 HydrophobicContact CB-CB 3.69Å; C477-C480 WeakPolarHBondContact CB-SG 3.41Å; C477-C480 VanDerWaalsContact O-CB 3.31Å; C477-C480 WeakPolarHBondContact O-CB 3.12Å; C477-C480 WeakPolarHBondContact SG-CB 3.31Å; C477-C480 PolarHBondContact SG-N 3Å; C477-C480 CovalentContact SG-SG 2.04Å; C477-C480 PolarHBondContact SG-SG 2.96Å; P478-C480 PolarHBondContact O-N 3.39Å; P478-C480 VanDerWaalsContact O-N 3.16Å; C480-A482 VanDerWaalsContact C-N 3.26Å; C480-A482 PolarHBondContact O-N 3.07Å; C480-L483 WeakPolarHBondContact O-CB 3.38Å; C480-L483 PolarHBondContact O-N 2.77Å; C480-L483 VanDerWaalsContact O-N 3.08Å; C480-L484 WeakPolarHBondContact O-CG 3.32Å; C480-L484 PolarHBondContact O-N 2.74Å; C480-L484 VanDerWaalsContact O-N 3.11Å; C480-Y520 VanDerWaalsContact SG-C 3.54Å; C480-Y520 VanDerWaalsContact SG-CB 3.54Å; C480-P521 HydrophobicContact CB-CB 4.34Å; C480-P521 WeakPolarHBondContact SG-CD 3.37Å
481	R	82.3	Confident	84.5	Confident	65 Å²	65	25 Å²	25	25%	0.245	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-35.7	178	-68	-171.1	-56.3	168.8	3.9	112.6	E91 H432 P475 C477 P478 L483 P485	E91-R481 IonicContact OE1-NH2 3.98Å; E91-R481 PolarHBondContact OE1-NH2 2.87Å; E91-R481 IonicContact OE2-CZ 3.97Å; E91-R481 IonicContact OE2-NH2 2.61Å; E91-R481 PolarHBondContact OE2-NH2 3.14Å; H432-R481 HydrophobicContact CB-CG 4.33Å; H432-R481 WeakPolarHBondContact O-CD 3.39Å; H432-R481 PolarHBondContact O-NH1 3.22Å; P475-R481 WeakPolarHBondContact O-CD 3.44Å; C477-R481 WeakPolarHBondContact O-CG 3.18Å; C477-R481 PolarHBondContact O-N 3.18Å; P478-R481 PolarHBondContact O-N 2.73Å; R481-L483 VanDerWaalsContact C-N 3.34Å; R481-P485 WeakPolarHBondContact O-CD 3.5Å
482	A	74.3	Confident	84.5	Confident	58 Å²	58	29 Å²	29	48%	0.479	15%	0.148	S	C	.	.	H	α-helix	trans	-70.7	-29.2	175.9	0	0	0	0	0	112.8	P478 P479 C480 P485	P478-A482 WeakPolarHBondContact O-CB 3.23Å; P478-A482 PolarHBondContact O-N 2.72Å; P479-A482 PolarHBondContact O-N 2.77Å; C480-A482 VanDerWaalsContact C-N 3.26Å; C480-A482 PolarHBondContact O-N 3.07Å; A482-P485 VanDerWaalsContact O-CD 3.31Å; A482-P485 WeakPolarHBondContact O-CD 3.39Å; A482-P485 VanDerWaalsContact O-CG 3.29Å; A482-P485 WeakPolarHBondContact O-CG 3.45Å
483	L	83.1	Confident	84.4	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-75	-35.3	176.4	176.3	61.9	0	0	0	112.1	P479 C480 R481 E486 L487 P521 T523 H538 I543	P479-L483 WeakPolarHBondContact O-CB 3.29Å; P479-L483 PolarHBondContact O-N 2.9Å; C480-L483 WeakPolarHBondContact O-CB 3.38Å; C480-L483 PolarHBondContact O-N 2.77Å; C480-L483 VanDerWaalsContact O-N 3.08Å; R481-L483 VanDerWaalsContact C-N 3.34Å; L483-E486 HydrophobicContact CD1-CB 4.41Å; L483-E486 CarbonylContact O-C 3.57Å; L483-E486 WeakPolarHBondContact O-CA 3.11Å; L483-E486 WeakPolarHBondContact O-CB 3.45Å; L483-E486 PolarHBondContact O-N 3.18Å; L483-L487 WeakPolarHBondContact O-CB 3.21Å; L483-L487 PolarHBondContact O-N 2.87Å; L483-P521 HydrophobicContact CD2-CB 3.73Å; L483-P521 HydrophobicContact CD2-CG 3.77Å; L483-T523 WeakPolarHBondContact CD2-OG1 3.07Å; L483-H538 HydrophobicContact CD1-CB 3.99Å; L483-I543 HydrophobicContact CD1-CD1 4.09Å
484	L	90.8	Very high	84.4	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.063	17%	0.174	C	C	.	.	H	α-helix	trans	-47.9	-50	179.8	-65.7	177	0	0	0	114.7	C480 E486 L487 R488 T502	C480-L484 WeakPolarHBondContact O-CG 3.32Å; C480-L484 PolarHBondContact O-N 2.74Å; C480-L484 VanDerWaalsContact O-N 3.11Å; L484-E486 VanDerWaalsContact C-N 3.34Å; L484-E486 PolarHBondContact O-N 2.85Å; L484-L487 WeakPolarHBondContact O-CB 3.5Å; L484-L487 PolarHBondContact O-N 3.4Å; L484-R488 WeakPolarHBondContact O-CG 3.18Å; L484-R488 PolarHBondContact O-N 2.63Å; L484-T502 HydrophobicContact CD2-CG2 3.69Å
485	P	89.6	Confident	84.7	Confident	40 Å²	40	37.1 Å²	37.1	26%	0.26	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-33.4	176.5	25.9	-35	0	0	0	113.2	R481 A482 R488 K489	R481-P485 WeakPolarHBondContact O-CD 3.5Å; A482-P485 VanDerWaalsContact O-CD 3.31Å; A482-P485 WeakPolarHBondContact O-CD 3.39Å; A482-P485 VanDerWaalsContact O-CG 3.29Å; A482-P485 WeakPolarHBondContact O-CG 3.45Å; P485-R488 PolarHBondContact O-N 2.93Å; P485-K489 WeakPolarHBondContact O-CG 3.19Å; P485-K489 PolarHBondContact O-N 3.27Å; P485-K489 VanDerWaalsContact O-N 3.09Å
486	E	88.4	Confident	85	Confident	43 Å²	43	40.6 Å²	40.6	20%	0.201	23%	0.233	C	C	.	.	H	α-helix	trans	-70.1	-37	175.9	-63.8	-59	124.8	0	0	111.6	L483 L484 K489 A490 A540	L483-E486 HydrophobicContact CD1-CB 4.41Å; L483-E486 CarbonylContact O-C 3.57Å; L483-E486 WeakPolarHBondContact O-CA 3.11Å; L483-E486 WeakPolarHBondContact O-CB 3.45Å; L483-E486 PolarHBondContact O-N 3.18Å; L484-E486 VanDerWaalsContact C-N 3.34Å; L484-E486 PolarHBondContact O-N 2.85Å; E486-K489 PolarHBondContact O-N 3.35Å; E486-K489 IonicContact OE1-NZ 2.84Å; E486-K489 PolarHBondContact OE1-NZ 2.98Å; E486-A490 PolarHBondContact O-N 3.31Å; E486-A540 PolarHBondContact OE2-N 3.42Å
487	L	93.4	Very high	85.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-43.2	172.9	-165	68.8	0	0	0	111.3	V452 L469 D471 L483 L484 A490 S491 F500 T502 I543	V452-L487 HydrophobicContact CG1-CD2 3.97Å; V452-L487 HydrophobicContact CG2-CD2 4.28Å; V452-L487 HydrophobicContact CG2-CG 4.03Å; L469-L487 HydrophobicContact CD2-CD1 3.36Å; D471-L487 HydrophobicContact CB-CD2 3.84Å; L483-L487 WeakPolarHBondContact O-CB 3.21Å; L483-L487 PolarHBondContact O-N 2.87Å; L484-L487 WeakPolarHBondContact O-CB 3.5Å; L484-L487 PolarHBondContact O-N 3.4Å; L487-A490 PolarHBondContact O-N 3.05Å; L487-S491 WeakPolarHBondContact O-CB 3.46Å; L487-S491 PolarHBondContact O-N 2.64Å; L487-F500 HydrophobicContact CD1-CD1 3.76Å; L487-F500 HydrophobicContact CD1-CE1 4.17Å; L487-F500 HydrophobicContact CG-CD1 4.1Å; L487-T502 HydrophobicContact CD2-CG2 3.57Å; L487-I543 HydrophobicContact CD1-CD1 4.29Å
488	R	95.4	Very high	86.9	Confident	17 Å²	17	42.3 Å²	42.3	6%	0.064	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-47.5	173.4	-73.7	-178.6	-163.7	113.4	14	111.6	E429 A450 V452 L484 P485 A490 S491 I492	E429-R488 IonicContact OE1-NE 2.73Å; E429-R488 IonicContact OE2-CZ 3.72Å; E429-R488 VanDerWaalsContact OE2-CZ 3.23Å; E429-R488 IonicContact OE2-NE 3.87Å; E429-R488 PolarHBondContact OE2-NE 3.16Å; E429-R488 IonicContact OE2-NH2 2.83Å; E429-R488 PolarHBondContact OE2-NH2 2.04Å; A450-R488 HydrophobicContact CB-CB 3.52Å; A450-R488 HydrophobicContact CB-CG 3.6Å; V452-R488 HydrophobicContact CG2-CG 3.98Å; L484-R488 WeakPolarHBondContact O-CG 3.18Å; L484-R488 PolarHBondContact O-N 2.63Å; P485-R488 PolarHBondContact O-N 2.93Å; R488-A490 PolarHBondContact O-N 2.94Å; R488-S491 PolarHBondContact O-N 2.66Å; R488-S491 PolarHBondContact O-OG 2.84Å; R488-I492 WeakPolarHBondContact O-CG1 3.36Å; R488-I492 PolarHBondContact O-N 3.04Å
489	K	93.3	Very high	88.4	Confident	106 Å²	106	45.6 Å²	45.6	46%	0.461	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-46.2	176.2	-70.3	171	-171	169.6	0	112.3	P485 E486 S491 I492 Q493 A540	P485-K489 WeakPolarHBondContact O-CG 3.19Å; P485-K489 PolarHBondContact O-N 3.27Å; P485-K489 VanDerWaalsContact O-N 3.09Å; E486-K489 PolarHBondContact O-N 3.35Å; E486-K489 IonicContact OE1-NZ 2.84Å; E486-K489 PolarHBondContact OE1-NZ 2.98Å; K489-S491 VanDerWaalsContact C-N 3.32Å; K489-S491 PolarHBondContact O-N 2.93Å; K489-I492 PolarHBondContact O-N 3.26Å; K489-Q493 PolarHBondContact O-N 3.47Å; K489-A540 HydrophobicContact CB-CB 3.77Å; K489-A540 HydrophobicContact CD-CB 4.5Å
490	A	93.5	Very high	89.9	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-41	177	0	0	0	0	0	111.6	E486 L487 R488 I492 Q493 L494 F500 A540 I543	E486-A490 PolarHBondContact O-N 3.31Å; L487-A490 PolarHBondContact O-N 3.05Å; R488-A490 PolarHBondContact O-N 2.94Å; A490-I492 VanDerWaalsContact C-N 3.26Å; A490-I492 PolarHBondContact O-N 3.04Å; A490-Q493 PolarHBondContact O-N 3.48Å; A490-Q493 VanDerWaalsContact O-N 3.15Å; A490-L494 WeakPolarHBondContact O-CB 3.24Å; A490-L494 PolarHBondContact O-N 3.4Å; A490-F500 HydrophobicContact CB-CE1 4.06Å; A490-F500 HydrophobicContact CB-CZ 4.35Å; A490-A540 HydrophobicContact CB-CB 4.39Å; A490-I543 HydrophobicContact CB-CB 4.27Å; A490-I543 HydrophobicContact CB-CD1 4.24Å; A490-I543 HydrophobicContact CB-CG2 3.93Å
491	S	96	Very high	90.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-34.8	179.4	79.9	0	0	0	0	113.4	H451 L487 R488 K489 A495	H451-S491 PolarHBondContact CD2-O 3.01Å; H451-S491 PolarHBondContact N-OG 3.47Å; L487-S491 WeakPolarHBondContact O-CB 3.46Å; L487-S491 PolarHBondContact O-N 2.64Å; R488-S491 PolarHBondContact O-N 2.66Å; R488-S491 PolarHBondContact O-OG 2.84Å; K489-S491 VanDerWaalsContact C-N 3.32Å; K489-S491 PolarHBondContact O-N 2.93Å; S491-A495 PolarHBondContact O-N 3.11Å
492	I	95.6	Very high	91.3	Very high	84 Å²	84	41.2 Å²	41.2	43%	0.431	24%	0.238	S	C	.	.	H	α-helix	trans	-68	-45.3	176.5	-65.7	165.6	0	0	0	110.3	A450 R488 K489 A490 L494 A495	A450-I492 HydrophobicContact CB-CD1 4.4Å; A450-I492 HydrophobicContact CB-CG1 4.33Å; R488-I492 WeakPolarHBondContact O-CG1 3.36Å; R488-I492 PolarHBondContact O-N 3.04Å; K489-I492 PolarHBondContact O-N 3.26Å; A490-I492 VanDerWaalsContact C-N 3.26Å; A490-I492 PolarHBondContact O-N 3.04Å; I492-L494 VanDerWaalsContact C-N 3.3Å; I492-L494 PolarHBondContact O-N 3Å; I492-A495 WeakPolarHBondContact O-CB 3.38Å; I492-A495 PolarHBondContact O-N 3.08Å
493	Q	93.6	Very high	92.4	Very high	112 Å²	112	38.5 Å²	38.5	52%	0.523	22%	0.215	S	C	.	.	H	α-helix	trans	-70.4	-27.7	-177.9	-65	-169.7	41.6	0	0	113.1	K489 A490 L544	K489-Q493 PolarHBondContact O-N 3.47Å; A490-Q493 PolarHBondContact O-N 3.48Å; A490-Q493 VanDerWaalsContact O-N 3.15Å; Q493-L544 HydrophobicContact CB-CD1 4.48Å; Q493-L544 HydrophobicContact CB-CD2 4.02Å
494	L	91.3	Very high	93	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.052	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	17.5	-178.8	-67.7	163.4	0	0	0	112.9	A490 I492 G496 Q497 M498 F500 L544 I547	A490-L494 WeakPolarHBondContact O-CB 3.24Å; A490-L494 PolarHBondContact O-N 3.4Å; I492-L494 VanDerWaalsContact C-N 3.3Å; I492-L494 PolarHBondContact O-N 3Å; L494-G496 PolarHBondContact O-N 3.49Å; L494-Q497 WeakPolarHBondContact O-CB 3.38Å; L494-Q497 PolarHBondContact O-N 3.32Å; L494-M498 HydrophobicContact CB-CG 4.23Å; L494-M498 HydrophobicContact CD1-SD 3.99Å; L494-M498 PolarHBondContact O-N 2.81Å; L494-F500 HydrophobicContact CB-CE2 3.87Å; L494-F500 HydrophobicContact CB-CZ 4.04Å; L494-F500 HydrophobicContact CD1-CE2 4.31Å; L494-F500 HydrophobicContact CD1-CZ 3.66Å; L494-L544 HydrophobicContact CD1-CD2 3.58Å; L494-L544 HydrophobicContact CD2-CD2 3.91Å; L494-L544 HydrophobicContact CG-CD2 3.55Å; L494-I547 HydrophobicContact CD1-CD1 3.29Å; L494-I547 HydrophobicContact CD2-CG2 4.46Å
495	A	90.8	Very high	93.1	Very high	50 Å²	50	38.7 Å²	38.7	41%	0.413	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	127.2	176	0	0	0	0	0	110.7	S491 I492 Q497	S491-A495 PolarHBondContact O-N 3.11Å; I492-A495 WeakPolarHBondContact O-CB 3.38Å; I492-A495 PolarHBondContact O-N 3.08Å; A495-Q497 PolarHBondContact O-N 3.28Å
496	G	87.7	Confident	93.1	Very high	90 Å²	90	40.1 Å²	40.1	93%	0.928	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-14.1	-178.9	0	0	0	0	0	115.6	L494	L494-G496 PolarHBondContact O-N 3.49Å
497	Q	89	Confident	93.3	Very high	132 Å²	132	41 Å²	41	62%	0.617	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-37.6	175.8	-62.6	-179.7	54.2	0	0	111.8	P467 L494 A495	P467-Q497 VanDerWaalsContact CG-O 3.24Å; P467-Q497 WeakPolarHBondContact CG-O 3.2Å; L494-Q497 WeakPolarHBondContact O-CB 3.38Å; L494-Q497 PolarHBondContact O-N 3.32Å; A495-Q497 PolarHBondContact O-N 3.28Å
498	M	90	Very high	93.4	Very high	19 Å²	19	41.8 Å²	41.8	9%	0.094	23%	0.234	C	C	.	.			trans	-154.1	165.4	176.5	74.3	-172.5	-44.4	0	0	111.7	P467 L469 L494 F500 I525 I547	P467-M498 HydrophobicContact CB-CB 4.17Å; P467-M498 HydrophobicContact CG-CB 3.86Å; P467-M498 WeakPolarHBondContact O-CA 3.3Å; P467-M498 WeakPolarHBondContact O-CB 3.45Å; L469-M498 HydrophobicContact CB-CE 3.55Å; L469-M498 HydrophobicContact CB-SD 4.28Å; L494-M498 HydrophobicContact CB-CG 4.23Å; L494-M498 HydrophobicContact CD1-SD 3.99Å; L494-M498 PolarHBondContact O-N 2.81Å; M498-F500 HydrophobicContact CG-CD2 4.11Å; M498-F500 HydrophobicContact CG-CE2 3.33Å; M498-F500 HydrophobicContact CG-CZ 3.84Å; M498-F500 HydrophobicContact SD-CE2 3.91Å; M498-F500 HydrophobicContact SD-CZ 3.75Å; M498-I525 HydrophobicContact CE-CD1 4.31Å; M498-I525 HydrophobicContact CE-CG1 4.32Å; M498-I525 HydrophobicContact CE-CG2 4.11Å; M498-I547 HydrophobicContact CE-CD1 4.28Å; M498-I547 HydrophobicContact SD-CD1 3.38Å; M498-I547 WeakPolarHBondContact SD-CD1 3.31Å; M498-I547 HydrophobicContact SD-CG1 4.09Å; M498-I547 HydrophobicContact SD-CG2 4.37Å
499	K	93.3	Very high	93.2	Very high	83 Å²	83	46.7 Å²	46.7	36%	0.361	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	151.9	176.5	-70.4	-176.4	173.4	168.1	0	111.4	E466 P467 W468 L469	E466-K499 IonicContact OE1-NZ 3.99Å; E466-K499 WeakPolarHBondContact OE2-CE 3.38Å; E466-K499 IonicContact OE2-NZ 3.89Å; E466-K499 PolarHBondContact OE2-NZ 2.69Å; P467-K499 PolarHBondContact O-N 2.88Å; W468-K499 CarbonylContact C-O 3.52Å; W468-K499 VanDerWaalsContact CA-O 3.3Å; W468-K499 WeakPolarHBondContact CA-O 3.37Å; W468-K499 HydrophobicContact CD2-CB 3.51Å; W468-K499 HydrophobicContact CE3-CB 3.76Å; W468-K499 HydrophobicContact CG-CB 4.02Å; W468-K499 HydrophobicContact CH2-CB 4.06Å; W468-K499 HydrophobicContact CH2-CD 4.09Å; W468-K499 HydrophobicContact CZ2-CB 3.83Å; W468-K499 HydrophobicContact CZ2-CD 3.4Å; W468-K499 HydrophobicContact CZ2-CG 4.22Å; W468-K499 HydrophobicContact CZ3-CB 4Å; L469-K499 PolarHBondContact N-O 2.8Å
500	F	95.4	Very high	93.3	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.9	-178	-72.2	-105.8	0	0	0	110.2	V452 T453 L469 L487 A490 L494 M498	V452-F500 HydrophobicContact CB-CB 4.39Å; V452-F500 HydrophobicContact CG2-CB 3.96Å; T453-F500 PolarHBondContact N-O 2.86Å; L469-F500 HydrophobicContact CB-CD1 4.16Å; L469-F500 HydrophobicContact CB-CE1 4.1Å; L469-F500 HydrophobicContact CD1-CE1 3.93Å; L469-F500 HydrophobicContact CD2-CD1 3.9Å; L469-F500 HydrophobicContact CD2-CE1 4.04Å; L469-F500 HydrophobicContact CG-CD1 4.45Å; L469-F500 HydrophobicContact CG-CE1 4.27Å; L469-F500 CarbonylContact O-C 3.47Å; L469-F500 WeakPolarHBondContact O-CA 3.46Å; L487-F500 HydrophobicContact CD1-CD1 3.76Å; L487-F500 HydrophobicContact CD1-CE1 4.17Å; L487-F500 HydrophobicContact CG-CD1 4.1Å; A490-F500 HydrophobicContact CB-CE1 4.06Å; A490-F500 HydrophobicContact CB-CZ 4.35Å; L494-F500 HydrophobicContact CB-CE2 3.87Å; L494-F500 HydrophobicContact CB-CZ 4.04Å; L494-F500 HydrophobicContact CD1-CE2 4.31Å; L494-F500 HydrophobicContact CD1-CZ 3.66Å; M498-F500 HydrophobicContact CG-CD2 4.11Å; M498-F500 HydrophobicContact CG-CE2 3.33Å; M498-F500 HydrophobicContact CG-CZ 3.84Å; M498-F500 HydrophobicContact SD-CE2 3.91Å; M498-F500 HydrophobicContact SD-CZ 3.75Å
501	G	96.4	Very high	93.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.4	178.9	0	0	0	0	0	112.2	T453 L469 V470 D471	T453-G501 CarbonylContact O-C 3.52Å; T453-G501 VanDerWaalsContact O-CA 3.25Å; T453-G501 WeakPolarHBondContact O-CA 3.31Å; L469-G501 PolarHBondContact O-N 3.3Å; V470-G501 CarbonylContact C-O 3.46Å; V470-G501 WeakPolarHBondContact CA-O 3.22Å; D471-G501 PolarHBondContact N-O 2.82Å
502	T	97.6	Very high	93.1	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.043	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.8	170.4	53.1	0	0	0	0	108.8	V452 T453 L455 D471 L484 L487	V452-T502 HydrophobicContact CG1-CG2 3.68Å; T453-T502 PolarHBondContact O-N 3.07Å; L455-T502 WeakPolarHBondContact CB-O 3.16Å; L455-T502 PolarHBondContact N-O 2.85Å; D471-T502 HydrophobicContact CB-CG2 4.23Å; D471-T502 CarbonylContact O-C 3.25Å; D471-T502 WeakPolarHBondContact O-CA 3.25Å; L484-T502 HydrophobicContact CD2-CG2 3.69Å; L487-T502 HydrophobicContact CD2-CG2 3.57Å
503	L	97.3	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.9	177.2	-172.2	76.9	0	0	0	109.8	L455 F460 V470 D471 F472 F473 C505 H508 L511	L455-L503 HydrophobicContact CB-CB 4.34Å; L455-L503 HydrophobicContact CB-CD1 3.88Å; L455-L503 WeakPolarHBondContact O-CD1 3.49Å; F460-L503 HydrophobicContact CD2-CD1 4.35Å; F460-L503 HydrophobicContact CD2-CD2 4.39Å; F460-L503 HydrophobicContact CE2-CD2 3.99Å; V470-L503 HydrophobicContact CG1-CB 4.47Å; D471-L503 PolarHBondContact O-N 3.3Å; F472-L503 HydrophobicContact CD1-CB 4.21Å; F472-L503 HydrophobicContact CD1-CD2 3.64Å; F472-L503 HydrophobicContact CD1-CG 4.48Å; F472-L503 HydrophobicContact CE1-CD2 3.55Å; F473-L503 VanDerWaalsContact CD1-O 3.3Å; F473-L503 WeakPolarHBondContact CD1-O 3.15Å; F473-L503 PolarHBondContact N-O 2.9Å; L503-C505 PolarHBondContact O-N 3.34Å; L503-H508 HydrophobicContact CD1-CB 4.22Å; L503-H508 HydrophobicContact CG-CB 4.39Å; L503-L511 HydrophobicContact CD1-CD2 3.87Å; L503-L511 HydrophobicContact CD2-CB 4.22Å; L503-L511 HydrophobicContact CD2-CD2 3.65Å; L503-L511 HydrophobicContact CD2-CG 3.77Å; L503-L511 HydrophobicContact CG-CD2 4.44Å
504	D	95.7	Very high	92.8	Very high	14 Å²	14	48.9 Å²	48.9	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	105	176	-174.2	-16.5	0	0	0	110.6	F473 P475 T506 I507 H508	F473-D504 HydrophobicContact CE1-CB 4.13Å; F473-D504 HydrophobicContact CZ-CB 4.34Å; P475-D504 VanDerWaalsContact CD-CG 3.44Å; P475-D504 WeakPolarHBondContact CD-OD1 3.46Å; P475-D504 WeakPolarHBondContact CD-OD2 3.16Å; P475-D504 WeakPolarHBondContact CG-OD2 3.27Å; D504-T506 VanDerWaalsContact CG-OG1 3.31Å; D504-T506 PolarHBondContact O-N 3.19Å; D504-T506 WeakPolarHBondContact OD1-CA 3.36Å; D504-T506 VanDerWaalsContact OD1-CB 3.26Å; D504-T506 WeakPolarHBondContact OD1-CB 3.21Å; D504-T506 PolarHBondContact OD1-N 2.95Å; D504-T506 PolarHBondContact OD1-OG1 3.5Å; D504-T506 PolarHBondContact OD2-OG1 3.14Å; D504-I507 HydrophobicContact CB-CB 4.48Å; D504-I507 HydrophobicContact CB-CD1 4.24Å; D504-I507 HydrophobicContact CB-CG1 4.39Å; D504-I507 PolarHBondContact O-N 3.3Å; D504-I507 WeakPolarHBondContact OD2-CD1 3.46Å; D504-H508 PolarHBondContact O-N 2.67Å
505	C	92.9	Very high	92.7	Very high	4 Å²	4	51 Å²	51	3%	0.027	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.9	179.1	-66.1	0	0	0	0	114	F473 L503 I507 C512 Y520	F473-C505 PolarHBondContact O-N 3.01Å; L503-C505 PolarHBondContact O-N 3.34Å; C505-I507 VanDerWaalsContact C-N 3.28Å; C505-C512 WeakPolarHBondContact CA-SG 3.47Å; C505-C512 HydrophobicContact CB-CB 3.8Å; C505-C512 WeakPolarHBondContact CB-SG 3.43Å; C505-C512 WeakPolarHBondContact SG-CB 3.36Å; C505-C512 CovalentContact SG-SG 2.04Å; C505-C512 PolarHBondContact SG-SG 3.16Å; C505-Y520 HydrophobicContact CB-CD1 4.48Å; C505-Y520 HydrophobicContact CB-CE1 3.55Å; C505-Y520 WeakPolarHBondContact CB-OH 3.18Å; C505-Y520 VanDerWaalsContact SG-CE1 3.54Å
506	T	87.9	Confident	92.5	Very high	69 Å²	69	53.9 Å²	53.9	42%	0.423	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.6	172.2	73.7	0	0	0	0	112.2	A474 D504	A474-T506 HydrophobicContact CB-CG2 3.73Å; D504-T506 VanDerWaalsContact CG-OG1 3.31Å; D504-T506 PolarHBondContact O-N 3.19Å; D504-T506 WeakPolarHBondContact OD1-CA 3.36Å; D504-T506 VanDerWaalsContact OD1-CB 3.26Å; D504-T506 WeakPolarHBondContact OD1-CB 3.21Å; D504-T506 PolarHBondContact OD1-N 2.95Å; D504-T506 PolarHBondContact OD1-OG1 3.5Å; D504-T506 PolarHBondContact OD2-OG1 3.14Å
507	I	93	Very high	92.3	Very high	61 Å²	61	50.7 Å²	50.7	31%	0.313	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-44.6	174.4	-59.3	175.2	0	0	0	110.1	Y411 D504 C505	Y411-I507 HydrophobicContact CD1-CG2 4.25Å; D504-I507 HydrophobicContact CB-CB 4.48Å; D504-I507 HydrophobicContact CB-CD1 4.24Å; D504-I507 HydrophobicContact CB-CG1 4.39Å; D504-I507 PolarHBondContact O-N 3.3Å; D504-I507 WeakPolarHBondContact OD2-CD1 3.46Å; C505-I507 VanDerWaalsContact C-N 3.28Å
508	H	95.8	Very high	91.7	Very high	17 Å²	17	50.8 Å²	50.8	8%	0.079	27%	0.267	C	S	.	.			trans	-107.5	54.7	-172.5	-56.9	-55	0	0	0	112.9	Y411 P457 L503 D504 D510 L511 C512	Y411-H508 AromaticContact CD1-CE1 3.49Å; Y411-H508 VanDerWaalsContact CD1-CE1 3.49Å; Y411-H508 WeakPolarHBondContact CD1-CE1 3.26Å; Y411-H508 AromaticContact CE1-CE1 3.72Å; Y411-H508 AromaticContact CG-CE1 3.68Å; P457-H508 WeakPolarHBondContact CD-CE1 3.39Å; L503-H508 HydrophobicContact CD1-CB 4.22Å; L503-H508 HydrophobicContact CG-CB 4.39Å; D504-H508 PolarHBondContact O-N 2.67Å; H508-D510 VanDerWaalsContact C-N 3.34Å; H508-D510 PolarHBondContact O-N 2.79Å; H508-L511 HydrophobicContact CB-CB 4.25Å; H508-L511 PolarHBondContact O-N 3.36Å; H508-C512 PolarHBondContact O-N 2.79Å; H508-C512 VanDerWaalsContact O-N 3.14Å; H508-C512 PolarHBondContact O-SG 2.88Å
509	H	92.1	Very high	90.7	Very high	121 Å²	121	52.3 Å²	52.3	56%	0.56	28%	0.283	S	S	*	.	H	α-helix	trans	-52.8	-47.4	-176.9	178.1	-85.8	0	0	0	113.1	L511 C512 S513	H509-L511 VanDerWaalsContact C-N 3.33Å; H509-L511 PolarHBondContact O-N 3.47Å; H509-C512 PolarHBondContact O-N 2.96Å; H509-S513 WeakPolarHBondContact O-CB 3.43Å; H509-S513 PolarHBondContact O-N 3.02Å
510	D	93.9	Very high	89.7	Confident	127 Å²	127	51 Å²	51	68%	0.679	28%	0.276	S	S	*	.	H	α-helix	trans	-65.2	-36.6	-175.7	-61.4	-23.1	0	0	0	112.6	H508 S513 T514	H508-D510 VanDerWaalsContact C-N 3.34Å; H508-D510 PolarHBondContact O-N 2.79Å; D510-S513 PolarHBondContact O-N 2.79Å; D510-T514 WeakPolarHBondContact O-CB 3.08Å; D510-T514 PolarHBondContact O-N 3.1Å; D510-T514 PolarHBondContact O-OG1 2.75Å
511	L	94.2	Very high	89.1	Confident	32 Å²	32	51.6 Å²	51.6	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-43.1	177.5	-173.5	56.1	0	0	0	110.8	F460 L503 H508 H509 S513 T514 Y515	F460-L511 HydrophobicContact CB-CD2 4.25Å; F460-L511 HydrophobicContact CD1-CD1 4.34Å; F460-L511 HydrophobicContact CD2-CD2 3.66Å; F460-L511 HydrophobicContact CD2-CG 4.36Å; F460-L511 HydrophobicContact CE2-CD2 4.19Å; F460-L511 HydrophobicContact CE2-CG 4.49Å; F460-L511 HydrophobicContact CG-CD1 4.37Å; F460-L511 HydrophobicContact CG-CD2 3.93Å; L503-L511 HydrophobicContact CD1-CD2 3.87Å; L503-L511 HydrophobicContact CD2-CB 4.22Å; L503-L511 HydrophobicContact CD2-CD2 3.65Å; L503-L511 HydrophobicContact CD2-CG 3.77Å; L503-L511 HydrophobicContact CG-CD2 4.44Å; H508-L511 HydrophobicContact CB-CB 4.25Å; H508-L511 PolarHBondContact O-N 3.36Å; H509-L511 VanDerWaalsContact C-N 3.33Å; H509-L511 PolarHBondContact O-N 3.47Å; L511-S513 VanDerWaalsContact C-N 3.35Å; L511-T514 WeakPolarHBondContact O-CB 3.31Å; L511-T514 PolarHBondContact O-N 3.25Å; L511-Y515 HydrophobicContact CD1-CD2 4.21Å; L511-Y515 HydrophobicContact CD1-CE2 3.77Å; L511-Y515 VanDerWaalsContact O-CD2 3.3Å; L511-Y515 WeakPolarHBondContact O-CD2 3.24Å; L511-Y515 PolarHBondContact O-N 3.05Å
512	C	92.2	Very high	88.4	Confident	3 Å²	3	52 Å²	52	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-37.3	174.1	-61.3	0	0	0	0	112.3	C505 H508 H509 T514 Y515 N516 I517	C505-C512 WeakPolarHBondContact CA-SG 3.47Å; C505-C512 HydrophobicContact CB-CB 3.8Å; C505-C512 WeakPolarHBondContact CB-SG 3.43Å; C505-C512 WeakPolarHBondContact SG-CB 3.36Å; C505-C512 CovalentContact SG-SG 2.04Å; C505-C512 PolarHBondContact SG-SG 3.16Å; H508-C512 PolarHBondContact O-N 2.79Å; H508-C512 VanDerWaalsContact O-N 3.14Å; H508-C512 PolarHBondContact O-SG 2.88Å; H509-C512 PolarHBondContact O-N 2.96Å; C512-T514 VanDerWaalsContact C-N 3.34Å; C512-Y515 CarbonylContact O-C 3.54Å; C512-Y515 PolarHBondContact O-N 3.11Å; C512-N516 PolarHBondContact O-N 3.12Å; C512-I517 HydrophobicContact CB-CB 4.21Å; C512-I517 HydrophobicContact CB-CG1 4.25Å; C512-I517 WeakPolarHBondContact O-CG1 2.76Å; C512-I517 PolarHBondContact O-N 3.48Å
513	S	90.5	Very high	88	Confident	77 Å²	77	51.8 Å²	51.8	54%	0.538	28%	0.281	S	S	.	.	H	α-helix	trans	-65.4	-37.3	174.8	-172.5	0	0	0	0	112.1	H509 D510 L511 Y515 N516	H509-S513 WeakPolarHBondContact O-CB 3.43Å; H509-S513 PolarHBondContact O-N 3.02Å; D510-S513 PolarHBondContact O-N 2.79Å; L511-S513 VanDerWaalsContact C-N 3.35Å; S513-Y515 PolarHBondContact O-N 2.9Å; S513-N516 PolarHBondContact O-N 3.03Å
514	T	92.6	Very high	87.6	Confident	108 Å²	108	51.9 Å²	51.9	66%	0.663	28%	0.282	S	S	*	.	H	α-helix	trans	-59.7	-35.1	177.3	-61.3	0	0	0	0	111.7	D510 L511 C512	D510-T514 WeakPolarHBondContact O-CB 3.08Å; D510-T514 PolarHBondContact O-N 3.1Å; D510-T514 PolarHBondContact O-OG1 2.75Å; L511-T514 WeakPolarHBondContact O-CB 3.31Å; L511-T514 PolarHBondContact O-N 3.25Å; C512-T514 VanDerWaalsContact C-N 3.34Å
515	Y	89.4	Confident	87.3	Confident	54 Å²	54	51.6 Å²	51.6	21%	0.212	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	13.4	177.2	-68	-68	0	0	0	113.9	F460 F472 L511 C512 S513 I517 F526 M531	F460-Y515 HydrophobicContact CD1-CE2 4.07Å; F460-Y515 HydrophobicContact CE1-CD2 4.18Å; F460-Y515 AromaticContact CE1-CE2 3.26Å; F460-Y515 HydrophobicContact CE1-CE2 3.26Å; F460-Y515 AromaticContact CE1-CZ 3.56Å; F460-Y515 WeakPolarHBondContact CE1-OH 3.18Å; F460-Y515 HydrophobicContact CZ-CD2 4.1Å; F460-Y515 AromaticContact CZ-CE2 3.64Å; F460-Y515 HydrophobicContact CZ-CE2 3.64Å; F472-Y515 HydrophobicContact CE1-CD2 4.19Å; F472-Y515 HydrophobicContact CZ-CD2 4.02Å; F472-Y515 HydrophobicContact CZ-CG 4.2Å; L511-Y515 HydrophobicContact CD1-CD2 4.21Å; L511-Y515 HydrophobicContact CD1-CE2 3.77Å; L511-Y515 VanDerWaalsContact O-CD2 3.3Å; L511-Y515 WeakPolarHBondContact O-CD2 3.24Å; L511-Y515 PolarHBondContact O-N 3.05Å; C512-Y515 CarbonylContact O-C 3.54Å; C512-Y515 PolarHBondContact O-N 3.11Å; S513-Y515 PolarHBondContact O-N 2.9Å; Y515-I517 VanDerWaalsContact C-N 3.28Å; Y515-I517 PolarHBondContact O-N 3.37Å; Y515-F526 HydrophobicContact CD1-CE1 4.17Å; Y515-F526 HydrophobicContact CD1-CZ 4.22Å; Y515-F526 AromaticContact CE1-CE1 3.66Å; Y515-F526 HydrophobicContact CE1-CE1 3.66Å; Y515-F526 HydrophobicContact CE1-CZ 4.11Å; Y515-F526 AromaticContact CZ-CE1 3.94Å; Y515-M531 HydrophobicContact CD1-CE 3.2Å; Y515-M531 HydrophobicContact CD1-SD 4.41Å; Y515-M531 HydrophobicContact CE1-CE 3.47Å; Y515-M531 VanDerWaalsContact CE1-CE 3.47Å; Y515-M531 HydrophobicContact CG-CE 4.24Å
516	N	85.4	Confident	87	Confident	112 Å²	112	52 Å²	52	60%	0.599	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.1	177.7	-172	49.9	0	0	0	113.6	C512 S513 Q518	C512-N516 PolarHBondContact O-N 3.12Å; S513-N516 PolarHBondContact O-N 3.03Å; N516-Q518 PolarHBondContact ND2-NE2 2.65Å; N516-Q518 PolarHBondContact O-N 3.09Å; N516-Q518 PolarHBondContact OD1-NE2 3.21Å
517	I	83.9	Confident	86.8	Confident	22 Å²	22	52.9 Å²	52.9	11%	0.113	28%	0.284	C	S	.	.			trans	-75.9	113.5	176.9	-53.2	-59.9	0	0	0	109.7	F472 C512 Y515 A519 Y520 T522 V524	F472-I517 HydrophobicContact CB-CD1 4.09Å; F472-I517 HydrophobicContact CB-CG1 4Å; F472-I517 HydrophobicContact CB-CG2 3.93Å; F472-I517 HydrophobicContact CD1-CD1 4.09Å; F472-I517 HydrophobicContact CD1-CG1 3.7Å; F472-I517 HydrophobicContact CD2-CD1 3.6Å; F472-I517 HydrophobicContact CD2-CG1 4.15Å; F472-I517 HydrophobicContact CE1-CD1 4.38Å; F472-I517 HydrophobicContact CE1-CG1 4.11Å; F472-I517 HydrophobicContact CE2-CD1 3.91Å; F472-I517 HydrophobicContact CG-CD1 3.68Å; F472-I517 HydrophobicContact CG-CG1 3.71Å; F472-I517 HydrophobicContact CZ-CD1 4.28Å; F472-I517 HydrophobicContact CZ-CG1 4.48Å; C512-I517 HydrophobicContact CB-CB 4.21Å; C512-I517 HydrophobicContact CB-CG1 4.25Å; C512-I517 WeakPolarHBondContact O-CG1 2.76Å; C512-I517 PolarHBondContact O-N 3.48Å; Y515-I517 VanDerWaalsContact C-N 3.28Å; Y515-I517 PolarHBondContact O-N 3.37Å; I517-A519 VanDerWaalsContact CG2-O 3.32Å; I517-A519 WeakPolarHBondContact CG2-O 2.95Å; I517-Y520 HydrophobicContact CG2-CD1 3.92Å; I517-Y520 HydrophobicContact CG2-CE1 3.58Å; I517-T522 HydrophobicContact CD1-CG2 3.75Å; I517-V524 HydrophobicContact CD1-CG2 4.38Å
518	Q	75.4	Confident	86	Confident	134 Å²	134	51.8 Å²	51.8	63%	0.626	29%	0.287	S	S	*	.			trans	-105.6	-23.4	-174.9	-58.5	-171.5	-0.1	0	0	113.6	K99 N516	K99-Q518 PolarHBondContact NZ-O 3.47Å; N516-Q518 PolarHBondContact ND2-NE2 2.65Å; N516-Q518 PolarHBondContact O-N 3.09Å; N516-Q518 PolarHBondContact OD1-NE2 3.21Å
519	A	69.9	Low	84.9	Confident	52 Å²	52	57.1 Å²	57.1	43%	0.43	33%	0.326	S	S	.	.	S	Bend	trans	-130.8	165.3	-178.7	0	0	0	0	0	110.6	I517 T522	I517-A519 VanDerWaalsContact CG2-O 3.32Å; I517-A519 WeakPolarHBondContact CG2-O 2.95Å; A519-T522 PolarHBondContact O-OG1 3.43Å
520	Y	72.9	Confident	84.1	Confident	55 Å²	55	54 Å²	54	22%	0.216	32%	0.318	C	S	.	.	S	Bend	trans	-135	141	176.7	-51.9	-54.9	0	0	0	109.8	A474 W476 C477 C480 C505 I517	A474-Y520 HydrophobicContact CB-CD2 3.73Å; A474-Y520 HydrophobicContact CB-CE2 4.14Å; A474-Y520 HydrophobicContact CB-CG 4.19Å; W476-Y520 HydrophobicContact CH2-CD2 4.09Å; W476-Y520 HydrophobicContact CZ2-CD2 4.03Å; W476-Y520 HydrophobicContact CZ2-CE2 4.19Å; C477-Y520 PolarHBondContact SG-O 2.7Å; C480-Y520 VanDerWaalsContact SG-C 3.54Å; C480-Y520 VanDerWaalsContact SG-CB 3.54Å; C505-Y520 HydrophobicContact CB-CD1 4.48Å; C505-Y520 HydrophobicContact CB-CE1 3.55Å; C505-Y520 WeakPolarHBondContact CB-OH 3.18Å; C505-Y520 VanDerWaalsContact SG-CE1 3.54Å; I517-Y520 HydrophobicContact CG2-CD1 3.92Å; I517-Y520 HydrophobicContact CG2-CE1 3.58Å
521	P	81.3	Confident	83.6	Confident	14 Å²	14	52 Å²	52	9%	0.091	31%	0.306	C	S	.	.	S	Bend	cis	-70	149.4	-11	30.1	-31	0	0	0	110.1	D471 F472 P479 C480 L483	D471-P521 VanDerWaalsContact OD1-CB 3.29Å; D471-P521 WeakPolarHBondContact OD1-CB 3.38Å; F472-P521 WeakPolarHBondContact O-CA 3.33Å; P479-P521 HydrophobicContact CB-CG 4.37Å; C480-P521 HydrophobicContact CB-CB 4.34Å; C480-P521 WeakPolarHBondContact SG-CD 3.37Å; L483-P521 HydrophobicContact CD2-CB 3.73Å; L483-P521 HydrophobicContact CD2-CG 3.77Å
522	T	82	Confident	83	Confident	9 Å²	9	54 Å²	54	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	111.9	165.7	-71.4	0	0	0	0	107	F472 I517 A519 V524 E533	F472-T522 WeakPolarHBondContact CB-O 3.33Å; F472-T522 WeakPolarHBondContact CD2-O 3.42Å; F472-T522 PolarHBondContact N-O 3.24Å; F472-T522 PolarHBondContact O-N 2.92Å; I517-T522 HydrophobicContact CD1-CG2 3.75Å; A519-T522 PolarHBondContact O-OG1 3.43Å; T522-V524 HydrophobicContact CG2-CG2 3.84Å; T522-E533 HydrophobicContact CG2-CG 4.09Å; T522-E533 WeakPolarHBondContact CG2-OE1 3.38Å
523	T	89	Confident	82.4	Confident	2 Å²	2	59 Å²	59	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130	-179.9	-58.4	0	0	0	0	109.6	L469 V470 D471 L483 Y534	L469-T523 HydrophobicContact CD1-CG2 4.05Å; L469-T523 HydrophobicContact CD2-CG2 3.37Å; L469-T523 HydrophobicContact CG-CG2 3.65Å; V470-T523 CarbonylContact O-C 3.51Å; V470-T523 WeakPolarHBondContact O-CA 2.94Å; D471-T523 PolarHBondContact OD1-OG1 2.88Å; L483-T523 WeakPolarHBondContact CD2-OG1 3.07Å; T523-Y534 HydrophobicContact CG2-CD1 4.44Å; T523-Y534 WeakPolarHBondContact O-CB 3.49Å; T523-Y534 PolarHBondContact O-N 3.01Å
524	V	89.6	Confident	81.8	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.8	-173.4	-177.2	0	0	0	0	110	V470 F472 I517 T522 F526 M531	V470-V524 PolarHBondContact N-O 3.24Å; V470-V524 PolarHBondContact O-N 3.47Å; F472-V524 HydrophobicContact CD2-CB 4.34Å; F472-V524 HydrophobicContact CD2-CG2 3.86Å; F472-V524 HydrophobicContact CE2-CB 3.91Å; F472-V524 HydrophobicContact CE2-CG2 3.72Å; I517-V524 HydrophobicContact CD1-CG2 4.38Å; T522-V524 HydrophobicContact CG2-CG2 3.84Å; V524-F526 HydrophobicContact CB-CD2 4.42Å; V524-F526 HydrophobicContact CB-CE2 3.83Å; V524-F526 HydrophobicContact CG1-CD2 4.03Å; V524-F526 HydrophobicContact CG1-CE2 3.59Å; V524-F526 HydrophobicContact CG1-CZ 4.01Å; V524-M531 HydrophobicContact CG1-CE 4.31Å; V524-M531 HydrophobicContact CG1-CG 3.2Å; V524-M531 HydrophobicContact CG1-SD 3.76Å
525	I	88.8	Confident	80.6	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.036	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.3	172.4	-61.9	179.1	0	0	0	109.3	W468 L469 M498 M531 H532 F546 I547 L550	W468-I525 CarbonylContact O-C 3.55Å; W468-I525 VanDerWaalsContact O-CA 3.26Å; W468-I525 WeakPolarHBondContact O-CA 3.31Å; L469-I525 HydrophobicContact CB-CG1 4.16Å; L469-I525 HydrophobicContact CD1-CD1 4.15Å; L469-I525 HydrophobicContact CD1-CG1 4.03Å; L469-I525 HydrophobicContact CG-CG1 4.02Å; M498-I525 HydrophobicContact CE-CD1 4.31Å; M498-I525 HydrophobicContact CE-CG1 4.32Å; M498-I525 HydrophobicContact CE-CG2 4.11Å; I525-M531 WeakPolarHBondContact O-CA 3.3Å; I525-H532 HydrophobicContact CB-CB 4.43Å; I525-H532 PolarHBondContact N-O 3.43Å; I525-H532 PolarHBondContact O-N 3.21Å; I525-F546 HydrophobicContact CD1-CD1 3.74Å; I525-F546 HydrophobicContact CD1-CE1 3.69Å; I525-F546 HydrophobicContact CG1-CE1 4.4Å; I525-I547 HydrophobicContact CD1-CD1 4.37Å; I525-I547 HydrophobicContact CD1-CG1 3.56Å; I525-L550 HydrophobicContact CB-CD1 4.15Å; I525-L550 HydrophobicContact CD1-CD1 3.52Å; I525-L550 HydrophobicContact CG1-CD1 4.39Å; I525-L550 HydrophobicContact CG2-CD1 4.1Å
526	F	87.8	Confident	79.4	Confident	14 Å²	14	52.5 Å²	52.5	6%	0.061	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.7	172.7	-67.2	-100.4	0	0	0	108.6	F460 P467 W468 V470 F472 Y515 V524 M531	F460-F526 HydrophobicContact CE1-CE1 4.22Å; F460-F526 HydrophobicContact CE1-CZ 4.14Å; F460-F526 HydrophobicContact CZ-CE1 4.42Å; F460-F526 HydrophobicContact CZ-CE2 4.28Å; F460-F526 AromaticContact CZ-CZ 3.88Å; F460-F526 HydrophobicContact CZ-CZ 3.88Å; P467-F526 CarbonylContact C-O 3.56Å; P467-F526 VanDerWaalsContact CA-O 3.23Å; P467-F526 WeakPolarHBondContact CA-O 3.29Å; W468-F526 HydrophobicContact CB-CB 4.25Å; W468-F526 PolarHBondContact N-O 3.35Å; W468-F526 PolarHBondContact O-N 3.12Å; V470-F526 HydrophobicContact CB-CD2 4.07Å; V470-F526 HydrophobicContact CB-CE2 3.78Å; V470-F526 HydrophobicContact CG1-CE2 4.49Å; V470-F526 HydrophobicContact CG2-CD2 3.64Å; V470-F526 HydrophobicContact CG2-CE2 3.73Å; F472-F526 AromaticContact CE2-CE2 3.96Å; F472-F526 HydrophobicContact CE2-CE2 3.96Å; F472-F526 HydrophobicContact CE2-CZ 4.13Å; F472-F526 HydrophobicContact CZ-CE2 4.17Å; F472-F526 AromaticContact CZ-CZ 3.97Å; F472-F526 HydrophobicContact CZ-CZ 3.97Å; Y515-F526 HydrophobicContact CD1-CE1 4.17Å; Y515-F526 HydrophobicContact CD1-CZ 4.22Å; Y515-F526 AromaticContact CE1-CE1 3.66Å; Y515-F526 HydrophobicContact CE1-CE1 3.66Å; Y515-F526 HydrophobicContact CE1-CZ 4.11Å; Y515-F526 AromaticContact CZ-CE1 3.94Å; V524-F526 HydrophobicContact CB-CD2 4.42Å; V524-F526 HydrophobicContact CB-CE2 3.83Å; V524-F526 HydrophobicContact CG1-CD2 4.03Å; V524-F526 HydrophobicContact CG1-CE2 3.59Å; V524-F526 HydrophobicContact CG1-CZ 4.01Å; F526-M531 HydrophobicContact CD1-CE 4.03Å; F526-M531 HydrophobicContact CE1-CE 3.2Å; F526-M531 HydrophobicContact CZ-CE 3.5Å
527	N	83.2	Confident	78.4	Confident	87 Å²	87	52.2 Å²	52.2	47%	0.465	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	94.9	174.5	-174.2	12.1	0	0	0	109.5	P467 S529 S530	P467-N527 HydrophobicContact CB-CB 4.42Å; N527-S529 PolarHBondContact O-N 3.29Å; N527-S530 PolarHBondContact N-O 3.18Å; N527-S530 WeakPolarHBondContact O-CB 3.44Å; N527-S530 PolarHBondContact O-N 3.37Å
528	G	77.1	Confident	77.9	Confident	37 Å²	37	55.1 Å²	55.1	38%	0.381	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-122.5	-169.2	0	0	0	0	0	111	S530	G528-S530 VanDerWaalsContact C-N 3.34Å
529	S	72.4	Confident	78.1	Confident	130 Å²	130	50.5 Å²	50.5	91%	0.909	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.6	175.6	58.2	0	0	0	0	114	N527	N527-S529 PolarHBondContact O-N 3.29Å
530	S	74.8	Confident	78.8	Confident	56 Å²	56	48.3 Å²	48.3	39%	0.392	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.3	-177.1	-55.6	0	0	0	0	110.7	N527 G528	N527-S530 PolarHBondContact N-O 3.18Å; N527-S530 WeakPolarHBondContact O-CB 3.44Å; N527-S530 PolarHBondContact O-N 3.37Å; G528-S530 VanDerWaalsContact C-N 3.34Å
531	M	83.6	Confident	79.1	Confident	84 Å²	84	51.2 Å²	51.2	41%	0.414	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.8	178	-175.4	179.8	-71.7	0	0	109.4	Y515 V524 I525 F526	Y515-M531 HydrophobicContact CD1-CE 3.2Å; Y515-M531 HydrophobicContact CD1-SD 4.41Å; Y515-M531 HydrophobicContact CE1-CE 3.47Å; Y515-M531 VanDerWaalsContact CE1-CE 3.47Å; Y515-M531 HydrophobicContact CG-CE 4.24Å; V524-M531 HydrophobicContact CG1-CE 4.31Å; V524-M531 HydrophobicContact CG1-CG 3.2Å; V524-M531 HydrophobicContact CG1-SD 3.76Å; I525-M531 WeakPolarHBondContact O-CA 3.3Å; F526-M531 HydrophobicContact CD1-CE 4.03Å; F526-M531 HydrophobicContact CE1-CE 3.2Å; F526-M531 HydrophobicContact CZ-CE 3.5Å
532	H	82.2	Confident	79.1	Confident	74 Å²	74	51 Å²	51	34%	0.343	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.1	177.6	-57.8	-76.4	0	0	0	109.6	I525 F546 L550	I525-H532 HydrophobicContact CB-CB 4.43Å; I525-H532 PolarHBondContact N-O 3.43Å; I525-H532 PolarHBondContact O-N 3.21Å; H532-F546 HydrophobicContact CB-CZ 4.34Å; H532-L550 HydrophobicContact CB-CD1 3.96Å; H532-L550 HydrophobicContact CB-CD2 3.91Å
533	E	79.2	Confident	79.2	Confident	107 Å²	107	50.6 Å²	50.6	50%	0.5	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136	172.5	-172.9	169.8	173.1	0	0	110.2	T522 F546	T522-E533 HydrophobicContact CG2-CG 4.09Å; T522-E533 WeakPolarHBondContact CG2-OE1 3.38Å; E533-F546 VanDerWaalsContact O-CZ 3.31Å; E533-F546 WeakPolarHBondContact O-CZ 3.32Å
534	Y	77.8	Confident	79.1	Confident	11 Å²	11	51.4 Å²	51.4	4%	0.043	29%	0.291	C	S	.	.			trans	-87.5	116.4	178.2	174.8	-116.6	0	0	0	110.5	T523 G536 H537 G542 I543 F546	T523-Y534 HydrophobicContact CG2-CD1 4.44Å; T523-Y534 WeakPolarHBondContact O-CB 3.49Å; T523-Y534 PolarHBondContact O-N 3.01Å; Y534-G536 WeakPolarHBondContact CE1-O 3.47Å; Y534-G536 VanDerWaalsContact CE2-CA 3.5Å; Y534-G536 VanDerWaalsContact CZ-C 3.41Å; Y534-G536 WeakPolarHBondContact OH-CA 3.18Å; Y534-H537 PolarHBondContact OH-N 3.34Å; Y534-H537 VanDerWaalsContact OH-N 3.16Å; Y534-H537 PolarHBondContact OH-O 3.25Å; Y534-G542 VanDerWaalsContact OH-CA 3.29Å; Y534-G542 WeakPolarHBondContact OH-CA 3.45Å; Y534-G542 PolarHBondContact OH-O 3.43Å; Y534-I543 HydrophobicContact CE1-CG1 4Å; Y534-I543 PolarHBondContact OH-N 3.15Å; Y534-F546 HydrophobicContact CD2-CB 3.61Å; Y534-F546 AromaticContact CD2-CD1 3.41Å; Y534-F546 HydrophobicContact CD2-CD1 3.41Å; Y534-F546 VanDerWaalsContact CD2-CD1 3.41Å; Y534-F546 AromaticContact CD2-CD2 3.94Å; Y534-F546 HydrophobicContact CD2-CD2 3.94Å; Y534-F546 AromaticContact CD2-CE1 3.93Å; Y534-F546 HydrophobicContact CD2-CE1 3.93Å; Y534-F546 HydrophobicContact CD2-CE2 4.43Å; Y534-F546 AromaticContact CD2-CG 3.39Å; Y534-F546 HydrophobicContact CD2-CG 3.39Å; Y534-F546 HydrophobicContact CD2-CZ 4.42Å; Y534-F546 HydrophobicContact CE2-CB 3.42Å; Y534-F546 VanDerWaalsContact CE2-CB 3.42Å; Y534-F546 HydrophobicContact CE2-CD1 4.16Å; Y534-F546 HydrophobicContact CE2-CD2 4.36Å; Y534-F546 AromaticContact CE2-CG 3.77Å; Y534-F546 HydrophobicContact CE2-CG 3.77Å; Y534-F546 HydrophobicContact CG-CD1 4.29Å
535	E	66.3	Low	78.7	Confident	73 Å²	73	53.4 Å²	53.4	34%	0.341	30%	0.3	S	S	.	.			trans	-108.5	11.5	179.6	-59.6	-174.3	166.7	0	0	113.2	Y581	E535-Y581 PolarHBondContact OE2-OH 3.44Å
536	G	64.4	Low	78.2	Confident	19 Å²	19	53.8 Å²	53.8	20%	0.196	30%	0.301	C	S	.	.	S	Bend	trans	-86.3	-176	-178.1	0	0	0	0	0	114.1	Y534 H538	Y534-G536 WeakPolarHBondContact CE1-O 3.47Å; Y534-G536 VanDerWaalsContact CE2-CA 3.5Å; Y534-G536 VanDerWaalsContact CZ-C 3.41Å; Y534-G536 WeakPolarHBondContact OH-CA 3.18Å; G536-H538 PolarHBondContact O-CD2 3.42Å
537	H	65.6	Low	77.9	Confident	107 Å²	107	54 Å²	54	50%	0.495	30%	0.303	S	S	.	.			trans	-64.1	137.9	176.5	-66.9	-57.8	0	0	0	112.3	Y534 S539	Y534-H537 PolarHBondContact OH-N 3.34Å; Y534-H537 VanDerWaalsContact OH-N 3.16Å; Y534-H537 PolarHBondContact OH-O 3.25Å; H537-S539 PolarHBondContact O-N 2.97Å
538	H	72.4	Confident	77.6	Confident	82 Å²	82	55.8 Å²	55.8	38%	0.38	31%	0.309	S	S	.	.	S	Bend	trans	-75.2	59.2	180	-62.9	174.9	0	0	0	112.5	L483 G536	L483-H538 HydrophobicContact CD1-CB 3.99Å; G536-H538 PolarHBondContact O-CD2 3.42Å
539	S	79.7	Confident	77.4	Confident	38 Å²	38	55 Å²	55	27%	0.266	30%	0.296	S	S	.	.	S	Bend	trans	-130.7	157.6	176	68.5	0	0	0	0	110.3	H537 D541 G542 I543	H537-S539 PolarHBondContact O-N 2.97Å; S539-D541 VanDerWaalsContact C-N 3.27Å; S539-D541 PolarHBondContact O-N 3.26Å; S539-G542 PolarHBondContact O-N 2.55Å; S539-G542 PolarHBondContact OG-N 3.24Å; S539-G542 VanDerWaalsContact OG-N 3.15Å; S539-I543 WeakPolarHBondContact O-CG1 3.41Å; S539-I543 PolarHBondContact O-N 3Å
540	A	84.8	Confident	77.3	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-43.4	176.9	0	0	0	0	0	111.7	E486 K489 A490 G542 I543 L544	E486-A540 PolarHBondContact OE2-N 3.42Å; K489-A540 HydrophobicContact CB-CB 3.77Å; K489-A540 HydrophobicContact CD-CB 4.5Å; A490-A540 HydrophobicContact CB-CB 4.39Å; A540-G542 PolarHBondContact O-N 3.29Å; A540-I543 PolarHBondContact O-N 3.06Å; A540-L544 WeakPolarHBondContact O-CD1 3.47Å; A540-L544 WeakPolarHBondContact O-CG 3.47Å; A540-L544 PolarHBondContact O-N 3.05Å
541	D	80.4	Confident	77.1	Confident	116 Å²	116	54.8 Å²	54.8	62%	0.62	28%	0.284	S	S	*	.	H	α-helix	trans	-63.4	-40	178.6	-64.8	-27.4	0	0	0	112.5	S539 L544 E545	S539-D541 VanDerWaalsContact C-N 3.27Å; S539-D541 PolarHBondContact O-N 3.26Å; D541-L544 PolarHBondContact O-N 2.87Å; D541-E545 WeakPolarHBondContact O-CB 3.39Å; D541-E545 PolarHBondContact O-N 3.18Å
542	G	80.2	Confident	76.4	Confident	10 Å²	10	54.8 Å²	54.8	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-42.6	177	0	0	0	0	0	112	Y534 S539 A540 L544 E545 F546	Y534-G542 VanDerWaalsContact OH-CA 3.29Å; Y534-G542 WeakPolarHBondContact OH-CA 3.45Å; Y534-G542 PolarHBondContact OH-O 3.43Å; S539-G542 PolarHBondContact O-N 2.55Å; S539-G542 PolarHBondContact OG-N 3.24Å; S539-G542 VanDerWaalsContact OG-N 3.15Å; A540-G542 PolarHBondContact O-N 3.29Å; G542-L544 VanDerWaalsContact C-N 3.35Å; G542-E545 PolarHBondContact O-N 3.4Å; G542-F546 PolarHBondContact O-N 3.26Å
543	I	85.2	Confident	75.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-46.7	176.1	-67.7	166.6	0	0	0	110.1	L469 L483 L487 A490 Y534 S539 A540 F546 I547	L469-I543 HydrophobicContact CD1-CG2 3.6Å; L483-I543 HydrophobicContact CD1-CD1 4.09Å; L487-I543 HydrophobicContact CD1-CD1 4.29Å; A490-I543 HydrophobicContact CB-CB 4.27Å; A490-I543 HydrophobicContact CB-CD1 4.24Å; A490-I543 HydrophobicContact CB-CG2 3.93Å; Y534-I543 HydrophobicContact CE1-CG1 4Å; Y534-I543 PolarHBondContact OH-N 3.15Å; S539-I543 WeakPolarHBondContact O-CG1 3.41Å; S539-I543 PolarHBondContact O-N 3Å; A540-I543 PolarHBondContact O-N 3.06Å; I543-F546 PolarHBondContact O-N 2.87Å; I543-I547 HydrophobicContact CG2-CD1 3.59Å; I543-I547 WeakPolarHBondContact O-CD1 3.36Å; I543-I547 VanDerWaalsContact O-CG1 3.31Å; I543-I547 WeakPolarHBondContact O-CG1 3.43Å; I543-I547 PolarHBondContact O-N 3.27Å
544	L	86.8	Confident	75.9	Confident	19 Å²	19	51.3 Å²	51.3	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-45.5	178.8	-69.9	161.6	0	0	0	112.2	Q493 L494 A540 D541 G542 F546 I547 Q548	Q493-L544 HydrophobicContact CB-CD1 4.48Å; Q493-L544 HydrophobicContact CB-CD2 4.02Å; L494-L544 HydrophobicContact CD1-CD2 3.58Å; L494-L544 HydrophobicContact CD2-CD2 3.91Å; L494-L544 HydrophobicContact CG-CD2 3.55Å; A540-L544 WeakPolarHBondContact O-CD1 3.47Å; A540-L544 WeakPolarHBondContact O-CG 3.47Å; A540-L544 PolarHBondContact O-N 3.05Å; D541-L544 PolarHBondContact O-N 2.87Å; G542-L544 VanDerWaalsContact C-N 3.35Å; L544-F546 VanDerWaalsContact C-N 3.34Å; L544-F546 PolarHBondContact O-N 2.04Å; L544-I547 PolarHBondContact O-N 3.32Å; L544-Q548 WeakPolarHBondContact O-CG 3.5Å; L544-Q548 PolarHBondContact O-N 2.6Å
545	E	79.9	Confident	76.4	Confident	44 Å²	44	51.5 Å²	51.5	21%	0.206	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-41.3	178.3	-179.3	167.8	-148.2	0	0	111.7	D541 G542 Q548 D549 R600	D541-E545 WeakPolarHBondContact O-CB 3.39Å; D541-E545 PolarHBondContact O-N 3.18Å; G542-E545 PolarHBondContact O-N 3.4Å; E545-Q548 PolarHBondContact O-N 3.47Å; E545-D549 PolarHBondContact O-N 3Å; E545-R600 IonicContact OE1-CZ 2.6Å; E545-R600 IonicContact OE1-NH2 3.87Å; E545-R600 PolarHBondContact OE1-NH2 3.3Å
546	F	78.4	Confident	77.5	Confident	15 Å²	15	50.9 Å²	50.9	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-40.6	177.5	177.7	-105.5	0	0	0	113.1	I525 H532 E533 Y534 G542 I543 L544 Q548 D549 L550	I525-F546 HydrophobicContact CD1-CD1 3.74Å; I525-F546 HydrophobicContact CD1-CE1 3.69Å; I525-F546 HydrophobicContact CG1-CE1 4.4Å; H532-F546 HydrophobicContact CB-CZ 4.34Å; E533-F546 VanDerWaalsContact O-CZ 3.31Å; E533-F546 WeakPolarHBondContact O-CZ 3.32Å; Y534-F546 HydrophobicContact CD2-CB 3.61Å; Y534-F546 AromaticContact CD2-CD1 3.41Å; Y534-F546 HydrophobicContact CD2-CD1 3.41Å; Y534-F546 VanDerWaalsContact CD2-CD1 3.41Å; Y534-F546 AromaticContact CD2-CD2 3.94Å; Y534-F546 HydrophobicContact CD2-CD2 3.94Å; Y534-F546 AromaticContact CD2-CE1 3.93Å; Y534-F546 HydrophobicContact CD2-CE1 3.93Å; Y534-F546 HydrophobicContact CD2-CE2 4.43Å; Y534-F546 AromaticContact CD2-CG 3.39Å; Y534-F546 HydrophobicContact CD2-CG 3.39Å; Y534-F546 HydrophobicContact CD2-CZ 4.42Å; Y534-F546 HydrophobicContact CE2-CB 3.42Å; Y534-F546 VanDerWaalsContact CE2-CB 3.42Å; Y534-F546 HydrophobicContact CE2-CD1 4.16Å; Y534-F546 HydrophobicContact CE2-CD2 4.36Å; Y534-F546 AromaticContact CE2-CG 3.77Å; Y534-F546 HydrophobicContact CE2-CG 3.77Å; Y534-F546 HydrophobicContact CG-CD1 4.29Å; G542-F546 PolarHBondContact O-N 3.26Å; I543-F546 PolarHBondContact O-N 2.87Å; L544-F546 VanDerWaalsContact C-N 3.34Å; L544-F546 PolarHBondContact O-N 2.04Å; F546-Q548 VanDerWaalsContact C-N 3.3Å; F546-Q548 PolarHBondContact O-N 3.39Å; F546-D549 WeakPolarHBondContact O-CB 3.31Å; F546-D549 PolarHBondContact O-N 3.05Å; F546-D549 VanDerWaalsContact O-N 3.14Å; F546-L550 HydrophobicContact CD1-CD1 4.11Å; F546-L550 HydrophobicContact CD1-CG 4.36Å; F546-L550 HydrophobicContact CE1-CD1 3.66Å; F546-L550 HydrophobicContact CE1-CD2 4.47Å; F546-L550 HydrophobicContact CE1-CG 4.06Å; F546-L550 HydrophobicContact CZ-CD1 4.15Å; F546-L550 HydrophobicContact CZ-CD2 4.15Å; F546-L550 HydrophobicContact CZ-CG 4.19Å; F546-L550 PolarHBondContact O-N 3.21Å
547	I	80.8	Confident	78.6	Confident	20 Å²	20	55.2 Å²	55.2	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-40	176.6	-69.7	159.8	0	0	0	110.7	L469 L494 M498 I525 I543 L544 D549 L550 V551	L469-I547 HydrophobicContact CD1-CD1 4.05Å; L494-I547 HydrophobicContact CD1-CD1 3.29Å; L494-I547 HydrophobicContact CD2-CG2 4.46Å; M498-I547 HydrophobicContact CE-CD1 4.28Å; M498-I547 HydrophobicContact SD-CD1 3.38Å; M498-I547 WeakPolarHBondContact SD-CD1 3.31Å; M498-I547 HydrophobicContact SD-CG1 4.09Å; M498-I547 HydrophobicContact SD-CG2 4.37Å; I525-I547 HydrophobicContact CD1-CD1 4.37Å; I525-I547 HydrophobicContact CD1-CG1 3.56Å; I543-I547 HydrophobicContact CG2-CD1 3.59Å; I543-I547 WeakPolarHBondContact O-CD1 3.36Å; I543-I547 VanDerWaalsContact O-CG1 3.31Å; I543-I547 WeakPolarHBondContact O-CG1 3.43Å; I543-I547 PolarHBondContact O-N 3.27Å; L544-I547 PolarHBondContact O-N 3.32Å; I547-D549 VanDerWaalsContact C-N 3.32Å; I547-D549 PolarHBondContact O-N 3.09Å; I547-L550 PolarHBondContact O-N 2.75Å; I547-V551 PolarHBondContact O-N 3.32Å
548	Q	77	Confident	79.9	Confident	124 Å²	124	50.1 Å²	50.1	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-61.2	-40.8	173	-71.9	174.4	4.6	0	0	112	L544 E545 F546 V551 S552	L544-Q548 WeakPolarHBondContact O-CG 3.5Å; L544-Q548 PolarHBondContact O-N 2.6Å; E545-Q548 PolarHBondContact O-N 3.47Å; F546-Q548 VanDerWaalsContact C-N 3.3Å; F546-Q548 PolarHBondContact O-N 3.39Å; Q548-V551 PolarHBondContact O-N 3.45Å; Q548-S552 PolarHBondContact O-N 3.11Å; Q548-S552 VanDerWaalsContact O-N 3.16Å
549	D	72.6	Confident	80.9	Confident	20 Å²	20	49.1 Å²	49.1	11%	0.107	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-35.1	176.7	-165.9	49.2	0	0	0	112.1	E545 F546 I547 V551 S552 P553 S554 R596	E545-D549 PolarHBondContact O-N 3Å; F546-D549 WeakPolarHBondContact O-CB 3.31Å; F546-D549 PolarHBondContact O-N 3.05Å; F546-D549 VanDerWaalsContact O-N 3.14Å; I547-D549 VanDerWaalsContact C-N 3.32Å; I547-D549 PolarHBondContact O-N 3.09Å; D549-V551 VanDerWaalsContact C-N 3.32Å; D549-V551 PolarHBondContact O-N 3Å; D549-S552 CarbonylContact O-C 3.55Å; D549-S552 PolarHBondContact O-N 3.22Å; D549-P553 WeakPolarHBondContact O-CA 3.4Å; D549-P553 WeakPolarHBondContact O-CD 3.42Å; D549-S554 PolarHBondContact OD1-N 2.77Å; D549-R596 WeakPolarHBondContact OD2-CD 3.37Å; D549-R596 IonicContact OD2-CZ 2.64Å; D549-R596 IonicContact OD2-NE 2.88Å; D549-R596 PolarHBondContact OD2-NE 2.83Å; D549-R596 IonicContact OD2-NH2 3.62Å
550	L	72.1	Confident	81.7	Confident	55 Å²	55	49.2 Å²	49.2	29%	0.288	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-34.2	174.8	-72.3	-179	0	0	0	113.2	I525 H532 F546 I547	I525-L550 HydrophobicContact CB-CD1 4.15Å; I525-L550 HydrophobicContact CD1-CD1 3.52Å; I525-L550 HydrophobicContact CG1-CD1 4.39Å; I525-L550 HydrophobicContact CG2-CD1 4.1Å; H532-L550 HydrophobicContact CB-CD1 3.96Å; H532-L550 HydrophobicContact CB-CD2 3.91Å; F546-L550 HydrophobicContact CD1-CD1 4.11Å; F546-L550 HydrophobicContact CD1-CG 4.36Å; F546-L550 HydrophobicContact CE1-CD1 3.66Å; F546-L550 HydrophobicContact CE1-CD2 4.47Å; F546-L550 HydrophobicContact CE1-CG 4.06Å; F546-L550 HydrophobicContact CZ-CD1 4.15Å; F546-L550 HydrophobicContact CZ-CD2 4.15Å; F546-L550 HydrophobicContact CZ-CG 4.19Å; F546-L550 PolarHBondContact O-N 3.21Å; I547-L550 PolarHBondContact O-N 2.75Å
551	V	69.3	Low	82.2	Confident	126 Å²	126	52.9 Å²	52.9	76%	0.764	31%	0.308	S	S	*	.	H	α-helix	trans	-73.3	-33.4	177.1	176.9	0	0	0	0	111.2	I547 Q548 D549	I547-V551 PolarHBondContact O-N 3.32Å; Q548-V551 PolarHBondContact O-N 3.45Å; D549-V551 VanDerWaalsContact C-N 3.32Å; D549-V551 PolarHBondContact O-N 3Å
552	S	68.5	Low	82.8	Confident	84 Å²	84	48.1 Å²	48.1	59%	0.587	28%	0.284	S	S	*	.	S	Bend	trans	-143	79.8	-180	-164.2	0	0	0	0	111.2	Q548 D549 S554	Q548-S552 PolarHBondContact O-N 3.11Å; Q548-S552 VanDerWaalsContact O-N 3.16Å; D549-S552 CarbonylContact O-C 3.55Å; D549-S552 PolarHBondContact O-N 3.22Å; S552-S554 PolarHBondContact O-N 3.4Å; S552-S554 VanDerWaalsContact O-N 3.09Å
553	P	70.4	Confident	83.6	Confident	82 Å²	82	47.7 Å²	47.7	53%	0.532	28%	0.279	S	S	.	.			trans	-67.7	115.4	-171.7	24.1	-32.7	0	0	0	110	D549	D549-P553 WeakPolarHBondContact O-CA 3.4Å; D549-P553 WeakPolarHBondContact O-CD 3.42Å
554	S	80.8	Confident	84	Confident	27 Å²	27	51.2 Å²	51.2	19%	0.189	30%	0.301	C	S	.	.	S	Bend	trans	-85.2	-19.8	176.8	-58.9	0	0	0	0	111.7	D549 S552 A599 R600	D549-S554 PolarHBondContact OD1-N 2.77Å; S552-S554 PolarHBondContact O-N 3.4Å; S552-S554 VanDerWaalsContact O-N 3.09Å; S554-A599 WeakPolarHBondContact O-CB 3.12Å; S554-R600 WeakPolarHBondContact OG-CG 3.44Å
555	V	88.3	Confident	84.3	Confident	14 Å²	14	56.9 Å²	56.9	9%	0.085	33%	0.327	C	S	.	.	S	Bend	trans	-118.4	125.2	178.2	-177	0	0	0	0	109.5	R596 A599 V608	V555-R596 HydrophobicContact CG2-CG 4.04Å; V555-A599 HydrophobicContact CG2-CB 3.58Å; V555-V608 HydrophobicContact CG1-CG1 4.39Å; V555-V608 HydrophobicContact CG2-CG1 4.07Å
556	L	89.1	Confident	85	Confident	60 Å²	60	59.2 Å²	59.2	31%	0.314	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.6	177.1	-66.9	170.9	0	0	0	110.8	L558 W576 V608 G609 S610	L556-L558 HydrophobicContact CB-CD2 4.43Å; L556-L558 PolarHBondContact O-N 3.29Å; L556-W576 HydrophobicContact CB-CH2 4.46Å; L556-W576 HydrophobicContact CB-CZ3 4.42Å; L556-W576 HydrophobicContact CD1-CH2 3.53Å; L556-W576 HydrophobicContact CD1-CZ2 4.46Å; L556-W576 HydrophobicContact CD1-CZ3 4.12Å; L556-V608 PolarHBondContact N-O 2.85Å; L556-G609 CarbonylContact O-C 3.48Å; L556-G609 WeakPolarHBondContact O-CA 3.25Å; L556-S610 PolarHBondContact O-N 2.89Å
557	V	87.7	Confident	85.7	Confident	110 Å²	110	58.5 Å²	58.5	67%	0.667	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	124.3	170.6	-177.5	0	0	0	0	108.7
558	L	93.9	Very high	86.2	Confident	1 Å²	1	60 Å²	60	1%	0.005	34%	0.339	C	S	.	.			trans	-112.8	126.3	-175	-59.3	173.3	0	0	0	110.4	L556 F563 V567 W576 V578 S610 V611	L556-L558 HydrophobicContact CB-CD2 4.43Å; L556-L558 PolarHBondContact O-N 3.29Å; L558-F563 HydrophobicContact CB-CB 4.32Å; L558-F563 HydrophobicContact CD1-CD2 3.94Å; L558-V567 HydrophobicContact CD1-CG2 3.57Å; L558-W576 HydrophobicContact CD1-CZ3 4.13Å; L558-W576 HydrophobicContact CD2-CH2 4.35Å; L558-W576 HydrophobicContact CD2-CZ3 4.34Å; L558-V578 HydrophobicContact CD1-CG1 4.2Å; L558-V578 HydrophobicContact CD1-CG2 4.24Å; L558-S610 WeakPolarHBondContact CB-O 3.38Å; L558-S610 PolarHBondContact N-O 3.36Å; L558-V611 HydrophobicContact CB-CG2 3.9Å
559	D	93	Very high	86.8	Confident	61 Å²	61	56.8 Å²	56.8	33%	0.326	34%	0.34	S	S	.	.			trans	-92.1	172.4	163.3	67.4	27	0	0	0	110.7	S561 S562 F563 F616	D559-S561 VanDerWaalsContact C-N 3.26Å; D559-S561 VanDerWaalsContact CG-OG 3.3Å; D559-S561 PolarHBondContact O-N 3Å; D559-S561 PolarHBondContact OD1-N 3.33Å; D559-S561 VanDerWaalsContact OD1-N 3.14Å; D559-S561 PolarHBondContact OD1-OG 3.33Å; D559-S562 VanDerWaalsContact CG-OG 3.31Å; D559-S562 PolarHBondContact N-OG 2.84Å; D559-S562 PolarHBondContact O-N 2.85Å; D559-S562 PolarHBondContact O-OG 2.82Å; D559-S562 WeakPolarHBondContact OD1-CB 3.39Å; D559-S562 PolarHBondContact OD1-N 2.92Å; D559-S562 PolarHBondContact OD1-OG 3.48Å; D559-F563 VanDerWaalsContact O-CB 3.26Å; D559-F563 WeakPolarHBondContact O-CB 3.41Å; D559-F563 PolarHBondContact O-N 2.83Å; D559-F616 HydrophobicContact CB-CE1 4.25Å; D559-F616 HydrophobicContact CB-CE2 3.89Å; D559-F616 HydrophobicContact CB-CZ 3.57Å
560	P	96.6	Very high	87.7	Confident	40 Å²	40	56.3 Å²	56.3	26%	0.26	34%	0.336	S	S	.	.	H	α-helix	trans	-56.2	-36.1	-178.3	-29	37.3	0	0	0	114.5	T564 F616 F619	P560-T564 PolarHBondContact O-N 3.09Å; P560-T564 PolarHBondContact O-OG1 2.89Å; P560-F616 HydrophobicContact CG-CB 4.21Å; P560-F616 HydrophobicContact CG-CD1 3.8Å; P560-F616 HydrophobicContact CG-CE1 4.34Å; P560-F616 HydrophobicContact CG-CG 4.01Å; P560-F619 HydrophobicContact CB-CB 4.31Å; P560-F619 HydrophobicContact CB-CD1 4.48Å; P560-F619 HydrophobicContact CB-CD2 3.78Å; P560-F619 HydrophobicContact CB-CE2 4.21Å; P560-F619 HydrophobicContact CB-CG 3.93Å; P560-F619 HydrophobicContact CG-CB 3.79Å; P560-F619 HydrophobicContact CG-CD1 4.14Å; P560-F619 HydrophobicContact CG-CD2 4.15Å; P560-F619 HydrophobicContact CG-CG 3.76Å
561	S	94.8	Very high	88.4	Confident	81 Å²	81	56.6 Å²	56.6	57%	0.566	35%	0.346	S	S	*	.	H	α-helix	trans	-69.1	-54.6	178.2	27	0	0	0	0	112.1	D559 F563 T564 E565	D559-S561 VanDerWaalsContact C-N 3.26Å; D559-S561 VanDerWaalsContact CG-OG 3.3Å; D559-S561 PolarHBondContact O-N 3Å; D559-S561 PolarHBondContact OD1-N 3.33Å; D559-S561 VanDerWaalsContact OD1-N 3.14Å; D559-S561 PolarHBondContact OD1-OG 3.33Å; S561-F563 VanDerWaalsContact C-N 3.32Å; S561-F563 PolarHBondContact O-N 2.74Å; S561-T564 WeakPolarHBondContact O-CB 3.46Å; S561-T564 PolarHBondContact O-N 2.91Å; S561-T564 VanDerWaalsContact O-N 3.08Å; S561-E565 PolarHBondContact O-N 3.29Å
562	S	94.5	Very high	89.1	Confident	17 Å²	17	54.6 Å²	54.6	12%	0.119	34%	0.343	C	S	.	.	H	α-helix	trans	-67.4	-31.4	-178.7	56.2	0	0	0	0	112.3	D559 K566	D559-S562 VanDerWaalsContact CG-OG 3.31Å; D559-S562 PolarHBondContact N-OG 2.84Å; D559-S562 PolarHBondContact O-N 2.85Å; D559-S562 PolarHBondContact O-OG 2.82Å; D559-S562 WeakPolarHBondContact OD1-CB 3.39Å; D559-S562 PolarHBondContact OD1-N 2.92Å; D559-S562 PolarHBondContact OD1-OG 3.48Å; S562-K566 WeakPolarHBondContact O-CB 3.26Å; S562-K566 WeakPolarHBondContact O-CG 3.47Å; S562-K566 PolarHBondContact O-N 3.44Å
563	F	96.1	Very high	89.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	35%	0.347	C	S	.	.	I	π-helix	trans	-61.5	-46.4	169	-176.9	-82.7	0	0	0	111	L558 D559 S561 V567 K568 V578 F580 V611 F619 Y634	L558-F563 HydrophobicContact CB-CB 4.32Å; L558-F563 HydrophobicContact CD1-CD2 3.94Å; D559-F563 VanDerWaalsContact O-CB 3.26Å; D559-F563 WeakPolarHBondContact O-CB 3.41Å; D559-F563 PolarHBondContact O-N 2.83Å; S561-F563 VanDerWaalsContact C-N 3.32Å; S561-F563 PolarHBondContact O-N 2.74Å; F563-V567 HydrophobicContact CD1-CB 4.37Å; F563-V567 HydrophobicContact CD2-CB 4.12Å; F563-V567 HydrophobicContact CD2-CG2 3.82Å; F563-V567 HydrophobicContact CE1-CB 4.31Å; F563-V567 HydrophobicContact CE1-CG1 4.4Å; F563-V567 HydrophobicContact CE2-CB 4.04Å; F563-V567 HydrophobicContact CE2-CG1 3.96Å; F563-V567 HydrophobicContact CE2-CG2 4Å; F563-V567 HydrophobicContact CG-CB 4.28Å; F563-V567 HydrophobicContact CG-CG2 4.25Å; F563-V567 HydrophobicContact CZ-CB 4.13Å; F563-V567 HydrophobicContact CZ-CG1 3.88Å; F563-V567 WeakPolarHBondContact O-CA 3.26Å; F563-V567 WeakPolarHBondContact O-CB 3.27Å; F563-V567 PolarHBondContact O-N 3.29Å; F563-K568 HydrophobicContact CD1-CG 4.23Å; F563-K568 HydrophobicContact CE1-CD 4.34Å; F563-K568 HydrophobicContact CE1-CG 3.88Å; F563-K568 PolarHBondContact O-N 2.84Å; F563-K568 VanDerWaalsContact O-N 3.12Å; F563-V578 HydrophobicContact CD2-CG1 4.47Å; F563-V578 HydrophobicContact CE2-CB 4.49Å; F563-V578 HydrophobicContact CE2-CG1 4.09Å; F563-V578 HydrophobicContact CE2-CG2 4.18Å; F563-F580 HydrophobicContact CD2-CZ 4.41Å; F563-F580 HydrophobicContact CE2-CE1 4.31Å; F563-F580 HydrophobicContact CE2-CE2 4.4Å; F563-F580 AromaticContact CE2-CZ 3.58Å; F563-F580 HydrophobicContact CE2-CZ 3.58Å; F563-F580 AromaticContact CZ-CZ 3.94Å; F563-F580 HydrophobicContact CZ-CZ 3.94Å; F563-V611 HydrophobicContact CD2-CG2 3.97Å; F563-F619 HydrophobicContact CB-CE1 4.43Å; F563-F619 HydrophobicContact CB-CZ 3.93Å; F563-F619 HydrophobicContact CD1-CE2 4.3Å; F563-F619 AromaticContact CD1-CZ 3.57Å; F563-F619 HydrophobicContact CD1-CZ 3.57Å; F563-F619 HydrophobicContact CD2-CZ 4.28Å; F563-F619 HydrophobicContact CE1-CZ 4.14Å; F563-F619 HydrophobicContact CG-CE1 4.26Å; F563-F619 AromaticContact CG-CZ 3.65Å; F563-F619 HydrophobicContact CG-CZ 3.65Å; F563-Y634 HydrophobicContact CE2-CE2 4.29Å; F563-Y634 HydrophobicContact CZ-CE1 4.11Å; F563-Y634 HydrophobicContact CZ-CE2 4.12Å; F563-Y634 AromaticContact CZ-CZ 3.65Å; F563-Y634 WeakPolarHBondContact CZ-OH 3.49Å
564	T	93.8	Very high	90.5	Very high	75 Å²	75	53 Å²	53	46%	0.46	34%	0.336	S	S	.	.	I	π-helix	trans	-64.7	-46.6	179.9	-57.8	0	0	0	0	111	P560 S561 K568 G569	P560-T564 PolarHBondContact O-N 3.09Å; P560-T564 PolarHBondContact O-OG1 2.89Å; S561-T564 WeakPolarHBondContact O-CB 3.46Å; S561-T564 PolarHBondContact O-N 2.91Å; S561-T564 VanDerWaalsContact O-N 3.08Å; T564-K568 WeakPolarHBondContact O-CB 3.5Å; T564-K568 PolarHBondContact O-N 3.45Å; T564-G569 PolarHBondContact O-N 3.08Å
565	E	93.6	Very high	90.9	Very high	139 Å²	139	52 Å²	52	65%	0.65	33%	0.329	S	S	*	.	I	π-helix	trans	-65.1	-51.3	179.7	-172.7	-171.5	168.5	0	0	112.3	S561 G569	S561-E565 PolarHBondContact O-N 3.29Å; E565-G569 CarbonylContact O-C 3.57Å; E565-G569 WeakPolarHBondContact O-CA 3.39Å; E565-G569 PolarHBondContact O-N 2.9Å
566	K	93.5	Very high	91.3	Very high	92 Å²	92	51.5 Å²	51.5	40%	0.4	33%	0.326	S	S	.	.	I	π-helix	trans	-90.9	-38	-169	-60.7	-177.6	176.8	178.9	0	113.9	S562 R570 W576	S562-K566 WeakPolarHBondContact O-CB 3.26Å; S562-K566 WeakPolarHBondContact O-CG 3.47Å; S562-K566 PolarHBondContact O-N 3.44Å; K566-R570 WeakPolarHBondContact O-CA 3.08Å; K566-R570 WeakPolarHBondContact O-CB 3.44Å; K566-R570 PolarHBondContact O-N 3.19Å; K566-W576 HydrophobicContact CB-CH2 4.15Å; K566-W576 HydrophobicContact CB-CZ2 3.71Å; K566-W576 HydrophobicContact CD-CH2 4.5Å; K566-W576 PolarHBondContact O-NE1 3.44Å
567	V	93.9	Very high	91.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	31%	0.311	C	S	.	.	I	π-helix	trans	-89.8	-52.6	-177.7	-174.1	0	0	0	0	110.3	L558 F563 R570 W576 V578 Y634	L558-V567 HydrophobicContact CD1-CG2 3.57Å; F563-V567 HydrophobicContact CD1-CB 4.37Å; F563-V567 HydrophobicContact CD2-CB 4.12Å; F563-V567 HydrophobicContact CD2-CG2 3.82Å; F563-V567 HydrophobicContact CE1-CB 4.31Å; F563-V567 HydrophobicContact CE1-CG1 4.4Å; F563-V567 HydrophobicContact CE2-CB 4.04Å; F563-V567 HydrophobicContact CE2-CG1 3.96Å; F563-V567 HydrophobicContact CE2-CG2 4Å; F563-V567 HydrophobicContact CG-CB 4.28Å; F563-V567 HydrophobicContact CG-CG2 4.25Å; F563-V567 HydrophobicContact CZ-CB 4.13Å; F563-V567 HydrophobicContact CZ-CG1 3.88Å; F563-V567 WeakPolarHBondContact O-CA 3.26Å; F563-V567 WeakPolarHBondContact O-CB 3.27Å; F563-V567 PolarHBondContact O-N 3.29Å; V567-R570 WeakPolarHBondContact O-CB 3.43Å; V567-R570 WeakPolarHBondContact O-CD 3.5Å; V567-R570 VanDerWaalsContact O-CG 3.25Å; V567-R570 WeakPolarHBondContact O-CG 3.39Å; V567-R570 PolarHBondContact O-NH1 3.34Å; V567-W576 HydrophobicContact CG1-CB 4.11Å; V567-W576 HydrophobicContact CG1-CG 4.31Å; V567-W576 HydrophobicContact CG2-CD2 3.89Å; V567-W576 HydrophobicContact CG2-CE3 3.93Å; V567-W576 HydrophobicContact CG2-CG 4.24Å; V567-W576 HydrophobicContact CG2-CZ3 4.32Å; V567-V578 HydrophobicContact CG1-CG2 4.24Å; V567-V578 HydrophobicContact CG2-CG2 4.09Å; V567-Y634 HydrophobicContact CG1-CD1 4.03Å; V567-Y634 HydrophobicContact CG1-CD2 3.6Å; V567-Y634 HydrophobicContact CG1-CE1 4.41Å; V567-Y634 HydrophobicContact CG1-CE2 4.04Å; V567-Y634 HydrophobicContact CG1-CG 3.61Å
568	K	90.7	Very high	92.1	Very high	52 Å²	52	43.4 Å²	43.4	23%	0.226	28%	0.279	C	S	.	.	I	π-helix	trans	-74.1	-37.3	178.3	-59.1	-166.9	179.7	-159	0	112	F563 T564 R570 P641 D642	F563-K568 HydrophobicContact CD1-CG 4.23Å; F563-K568 HydrophobicContact CE1-CD 4.34Å; F563-K568 HydrophobicContact CE1-CG 3.88Å; F563-K568 PolarHBondContact O-N 2.84Å; F563-K568 VanDerWaalsContact O-N 3.12Å; T564-K568 WeakPolarHBondContact O-CB 3.5Å; T564-K568 PolarHBondContact O-N 3.45Å; K568-R570 VanDerWaalsContact C-N 3.3Å; K568-R570 PolarHBondContact O-N 3.02Å; K568-P641 HydrophobicContact CB-CB 4.44Å; K568-P641 WeakPolarHBondContact O-CB 3.35Å; K568-D642 WeakPolarHBondContact CE-OD1 3.24Å; K568-D642 IonicContact NZ-OD1 3.86Å; K568-D642 PolarHBondContact NZ-OD1 2.59Å
569	G	89.2	Confident	92.3	Very high	57 Å²	57	43.5 Å²	43.5	59%	0.588	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	14.4	175.4	0	0	0	0	0	115.7	T564 E565	T564-G569 PolarHBondContact O-N 3.08Å; E565-G569 CarbonylContact O-C 3.57Å; E565-G569 WeakPolarHBondContact O-CA 3.39Å; E565-G569 PolarHBondContact O-N 2.9Å
570	R	91.4	Very high	92.5	Very high	9 Å²	9	40.6 Å²	40.6	3%	0.034	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-53.7	147.8	-179.2	65.9	-168.8	176.6	-83.2	0.1	113.4	K566 V567 K568 Q574 S635 P641	K566-R570 WeakPolarHBondContact O-CA 3.08Å; K566-R570 WeakPolarHBondContact O-CB 3.44Å; K566-R570 PolarHBondContact O-N 3.19Å; V567-R570 WeakPolarHBondContact O-CB 3.43Å; V567-R570 WeakPolarHBondContact O-CD 3.5Å; V567-R570 VanDerWaalsContact O-CG 3.25Å; V567-R570 WeakPolarHBondContact O-CG 3.39Å; V567-R570 PolarHBondContact O-NH1 3.34Å; K568-R570 VanDerWaalsContact C-N 3.3Å; K568-R570 PolarHBondContact O-N 3.02Å; R570-Q574 HydrophobicContact CB-CB 4.41Å; R570-Q574 WeakPolarHBondContact CD-O 3.49Å; R570-S635 VanDerWaalsContact CZ-O 3.25Å; R570-S635 PolarHBondContact NE-O 3.28Å; R570-S635 PolarHBondContact NH2-O 2.9Å; R570-P641 PolarHBondContact NH1-O 3.2Å; R570-P641 PolarHBondContact NH2-O 3Å
571	A	87.6	Confident	92.2	Very high	61 Å²	61	39.7 Å²	39.7	50%	0.504	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-68.1	156.2	177.2	0	0	0	0	0	112.2	G573 Q574	A571-G573 PolarHBondContact O-N 3.36Å; A571-Q574 HydrophobicContact CB-CB 4.34Å; A571-Q574 WeakPolarHBondContact O-CB 3.39Å; A571-Q574 PolarHBondContact O-N 3.09Å
572	A	83.2	Confident	91.7	Very high	84 Å²	84	35.9 Å²	35.9	69%	0.694	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	128.9	176.2	0	0	0	0	0	111	Q574 T638	A572-Q574 VanDerWaalsContact C-N 3.29Å; A572-Q574 PolarHBondContact O-N 3.32Å; A572-T638 HydrophobicContact CB-CG2 4.34Å
573	G	80.5	Confident	90.5	Very high	64 Å²	64	36.5 Å²	36.5	66%	0.66	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	-11.2	-176.1	0	0	0	0	0	115.1	A571 G636	A571-G573 PolarHBondContact O-N 3.36Å; G573-G636 PolarHBondContact N-O 3.26Å
574	Q	87.9	Confident	89.3	Confident	68 Å²	68	44.6 Å²	44.6	32%	0.318	26%	0.264	S	S	.	.			trans	-79.9	125.8	176.9	-168.1	175.5	33	0	0	110.8	R570 A571 A572 L607 G636	R570-Q574 HydrophobicContact CB-CB 4.41Å; R570-Q574 WeakPolarHBondContact CD-O 3.49Å; A571-Q574 HydrophobicContact CB-CB 4.34Å; A571-Q574 WeakPolarHBondContact O-CB 3.39Å; A571-Q574 PolarHBondContact O-N 3.09Å; A572-Q574 VanDerWaalsContact C-N 3.29Å; A572-Q574 PolarHBondContact O-N 3.32Å; Q574-L607 HydrophobicContact CG-CD1 4.15Å; Q574-L607 HydrophobicContact CG-CG 4.49Å; Q574-G636 WeakPolarHBondContact O-CA 3.49Å; Q574-G636 PolarHBondContact O-N 3.36Å
575	T	90.8	Very high	88.6	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.043	24%	0.244	C	C	.	.			trans	-109.5	139.8	179.2	-58.9	0	0	0	0	109.9	I606 L607 L633 Y634 L665	T575-I606 HydrophobicContact CG2-CG2 4.18Å; T575-I606 WeakPolarHBondContact O-CG2 3.23Å; T575-L607 PolarHBondContact O-N 2.77Å; T575-L633 HydrophobicContact CG2-CD1 3.76Å; T575-L633 HydrophobicContact CG2-CD2 4.08Å; T575-L633 HydrophobicContact CG2-CG 3.86Å; T575-Y634 WeakPolarHBondContact CA-O 3.46Å; T575-L665 HydrophobicContact CG2-CD2 4.4Å
576	W	94.9	Very high	87.6	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.7	178	-83.9	86.3	0	0	0	111.6	L556 L558 K566 V567 V578 L607 L633 Y634	L556-W576 HydrophobicContact CB-CH2 4.46Å; L556-W576 HydrophobicContact CB-CZ3 4.42Å; L556-W576 HydrophobicContact CD1-CH2 3.53Å; L556-W576 HydrophobicContact CD1-CZ2 4.46Å; L556-W576 HydrophobicContact CD1-CZ3 4.12Å; L558-W576 HydrophobicContact CD1-CZ3 4.13Å; L558-W576 HydrophobicContact CD2-CH2 4.35Å; L558-W576 HydrophobicContact CD2-CZ3 4.34Å; K566-W576 HydrophobicContact CB-CH2 4.15Å; K566-W576 HydrophobicContact CB-CZ2 3.71Å; K566-W576 HydrophobicContact CD-CH2 4.5Å; K566-W576 PolarHBondContact O-NE1 3.44Å; V567-W576 HydrophobicContact CG1-CB 4.11Å; V567-W576 HydrophobicContact CG1-CG 4.31Å; V567-W576 HydrophobicContact CG2-CD2 3.89Å; V567-W576 HydrophobicContact CG2-CE3 3.93Å; V567-W576 HydrophobicContact CG2-CG 4.24Å; V567-W576 HydrophobicContact CG2-CZ3 4.32Å; W576-V578 HydrophobicContact CB-CG2 4.41Å; W576-V578 HydrophobicContact CE3-CG2 4.41Å; W576-L607 CarbonylContact C-O 3.54Å; W576-L607 VanDerWaalsContact CA-O 3.26Å; W576-L607 WeakPolarHBondContact CA-O 3.41Å; W576-L607 HydrophobicContact CD2-CB 3.56Å; W576-L607 HydrophobicContact CD2-CD1 4.32Å; W576-L607 VanDerWaalsContact CE2-CD1 3.47Å; W576-L607 HydrophobicContact CE3-CB 3.79Å; W576-L607 HydrophobicContact CG-CB 4.1Å; W576-L607 HydrophobicContact CH2-CB 4.13Å; W576-L607 HydrophobicContact CH2-CD1 4.11Å; W576-L607 HydrophobicContact CZ2-CB 3.89Å; W576-L607 HydrophobicContact CZ2-CD1 3.34Å; W576-L607 HydrophobicContact CZ2-CG 4.28Å; W576-L607 HydrophobicContact CZ3-CB 4.07Å; W576-L633 CarbonylContact O-C 3.6Å; W576-L633 WeakPolarHBondContact O-CA 3.44Å; W576-L633 WeakPolarHBondContact O-CD1 3.25Å; W576-Y634 HydrophobicContact CB-CD2 4.49Å; W576-Y634 PolarHBondContact N-O 3.37Å; W576-Y634 PolarHBondContact O-N 3.39Å
577	A	96.4	Very high	87.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.4	164.6	0	0	0	0	0	108.3	W595 I606 L607 V608 G609 R632 L633 V661	A577-W595 HydrophobicContact CB-CH2 3.71Å; A577-W595 HydrophobicContact CB-CZ2 4.05Å; A577-I606 HydrophobicContact CB-CG2 4.31Å; A577-L607 PolarHBondContact N-O 2.94Å; A577-V608 HydrophobicContact CB-CG2 4.43Å; A577-V608 CarbonylContact O-C 3.56Å; A577-V608 WeakPolarHBondContact O-CA 3.44Å; A577-G609 PolarHBondContact O-N 2.92Å; A577-R632 CarbonylContact C-O 3.49Å; A577-R632 WeakPolarHBondContact CA-O 3.48Å; A577-L633 HydrophobicContact CB-CD1 3.92Å; A577-V661 HydrophobicContact CB-CG1 4.12Å; A577-V661 HydrophobicContact CB-CG2 4.25Å
578	V	97.6	Very high	86.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.7	-177.5	-172.7	0	0	0	0	110.1	L558 F563 V567 W576 F580 G609 V611 R632 Y634	L558-V578 HydrophobicContact CD1-CG1 4.2Å; L558-V578 HydrophobicContact CD1-CG2 4.24Å; F563-V578 HydrophobicContact CD2-CG1 4.47Å; F563-V578 HydrophobicContact CE2-CB 4.49Å; F563-V578 HydrophobicContact CE2-CG1 4.09Å; F563-V578 HydrophobicContact CE2-CG2 4.18Å; V567-V578 HydrophobicContact CG1-CG2 4.24Å; V567-V578 HydrophobicContact CG2-CG2 4.09Å; W576-V578 HydrophobicContact CB-CG2 4.41Å; W576-V578 HydrophobicContact CE3-CG2 4.41Å; V578-F580 HydrophobicContact CB-CE2 4.07Å; V578-F580 HydrophobicContact CG1-CD2 4.2Å; V578-F580 HydrophobicContact CG1-CE2 3.77Å; V578-F580 HydrophobicContact CG1-CZ 4.1Å; V578-G609 WeakPolarHBondContact CA-O 3.32Å; V578-V611 HydrophobicContact CG1-CG2 3.91Å; V578-R632 PolarHBondContact N-O 2.95Å; V578-R632 PolarHBondContact O-N 3.45Å; V578-Y634 HydrophobicContact CB-CE2 4.03Å; V578-Y634 HydrophobicContact CG2-CD2 3.95Å; V578-Y634 HydrophobicContact CG2-CE2 3.84Å
579	D	97.4	Very high	85.9	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123	170	177.3	26.7	0	0	0	110.4	M591 W595 G609 S610 V611 P629	D579-M591 HydrophobicContact CB-CE 4.17Å; D579-M591 VanDerWaalsContact OD1-CE 3.25Å; D579-M591 WeakPolarHBondContact OD1-CE 3.37Å; D579-M591 VanDerWaalsContact OD2-CE 3.26Å; D579-M591 WeakPolarHBondContact OD2-CE 3.43Å; D579-W595 HydrophobicContact CB-CD2 4.09Å; D579-W595 HydrophobicContact CB-CG 4.44Å; D579-W595 HydrophobicContact CB-CZ2 3.87Å; D579-G609 PolarHBondContact N-O 2.72Å; D579-S610 CarbonylContact O-C 3.59Å; D579-S610 VanDerWaalsContact O-CA 3.24Å; D579-S610 WeakPolarHBondContact O-CA 3.46Å; D579-V611 PolarHBondContact O-N 2.95Å; D579-P629 WeakPolarHBondContact OD1-CB 3.31Å
580	F	97.7	Very high	85.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.9	170	-66.4	-96.9	0	0	0	108.4	F563 V578 V611 F619 Q623 V625 P629 E630 R632	F563-F580 HydrophobicContact CD2-CZ 4.41Å; F563-F580 HydrophobicContact CE2-CE1 4.31Å; F563-F580 HydrophobicContact CE2-CE2 4.4Å; F563-F580 AromaticContact CE2-CZ 3.58Å; F563-F580 HydrophobicContact CE2-CZ 3.58Å; F563-F580 AromaticContact CZ-CZ 3.94Å; F563-F580 HydrophobicContact CZ-CZ 3.94Å; V578-F580 HydrophobicContact CB-CE2 4.07Å; V578-F580 HydrophobicContact CG1-CD2 4.2Å; V578-F580 HydrophobicContact CG1-CE2 3.77Å; V578-F580 HydrophobicContact CG1-CZ 4.1Å; F580-V611 HydrophobicContact CD1-CB 3.74Å; F580-V611 HydrophobicContact CD1-CG1 4Å; F580-V611 HydrophobicContact CD1-CG2 4.13Å; F580-V611 HydrophobicContact CE1-CB 4.01Å; F580-V611 HydrophobicContact CE1-CG1 4.2Å; F580-V611 HydrophobicContact CE1-CG2 3.89Å; F580-V611 HydrophobicContact CG-CB 4.44Å; F580-V611 HydrophobicContact CZ-CG2 4.42Å; F580-F619 HydrophobicContact CE1-CE1 4.23Å; F580-Q623 HydrophobicContact CE1-CB 4.47Å; F580-Q623 HydrophobicContact CE1-CG 4.41Å; F580-V625 HydrophobicContact CB-CG1 4.06Å; F580-V625 HydrophobicContact CB-CG2 3.97Å; F580-V625 HydrophobicContact CD1-CG2 3.73Å; F580-V625 HydrophobicContact CD2-CG2 4.36Å; F580-V625 HydrophobicContact CE1-CG2 4.28Å; F580-V625 HydrophobicContact CG-CG2 3.76Å; F580-P629 WeakPolarHBondContact O-CA 3.32Å; F580-E630 HydrophobicContact CB-CB 4.24Å; F580-E630 PolarHBondContact N-O 3.44Å; F580-E630 PolarHBondContact O-N 2.93Å; F580-R632 HydrophobicContact CE2-CB 4.39Å; F580-R632 HydrophobicContact CE2-CG 4.4Å
581	Y	91.3	Very high	85.3	Confident	21 Å²	21	38.1 Å²	38.1	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	168.5	-169.5	81.6	-80.1	0	0	0	112.5	E535 P583 M592 V611 D612 C613	E535-Y581 PolarHBondContact OE2-OH 3.44Å; Y581-P583 HydrophobicContact CE2-CG 4.17Å; Y581-M592 HydrophobicContact CE2-CE 4.29Å; Y581-V611 VanDerWaalsContact CD1-O 3.28Å; Y581-V611 WeakPolarHBondContact CD1-O 3.26Å; Y581-V611 PolarHBondContact N-O 3.41Å; Y581-D612 HydrophobicContact CE1-CB 4.16Å; Y581-C613 WeakPolarHBondContact O-CB 3.42Å; Y581-C613 PolarHBondContact O-N 2.94Å
582	A	83.1	Confident	85.1	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	23%	0.225	C	C	.	.			trans	-129	135.8	167.2	0	0	0	0	0	109.2	W584 C585 Y628	A582-W584 VanDerWaalsContact C-N 3.27Å; A582-W584 HydrophobicContact CB-CD2 4.17Å; A582-W584 HydrophobicContact CB-CZ2 3.85Å; A582-W584 PolarHBondContact O-N 3.03Å; A582-C585 HydrophobicContact CB-CB 4.22Å; A582-C585 WeakPolarHBondContact O-CB 3.42Å; A582-C585 PolarHBondContact O-N 3.46Å; A582-Y628 HydrophobicContact CB-CD2 3.74Å; A582-Y628 HydrophobicContact CB-CE2 4.05Å; A582-Y628 HydrophobicContact CB-CG 4.1Å
583	P	70.1	Confident	84.9	Confident	30 Å²	30	33.3 Å²	33.3	20%	0.195	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.1	-178.5	-28.9	34.1	0	0	0	114.7	Y581 C585 Q589 D612	Y581-P583 HydrophobicContact CE2-CG 4.17Å; P583-C585 VanDerWaalsContact C-N 3.29Å; P583-C585 PolarHBondContact O-N 3.27Å; P583-Q589 PolarHBondContact O-NE2 2.93Å; P583-D612 WeakPolarHBondContact CD-OD1 3.42Å
584	W	69.8	Low	85.3	Confident	170 Å²	170	32.3 Å²	32.3	64%	0.644	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.2	178.3	53.3	-103.4	0	0	0	114.5	A582 G586 Y628	A582-W584 VanDerWaalsContact C-N 3.27Å; A582-W584 HydrophobicContact CB-CD2 4.17Å; A582-W584 HydrophobicContact CB-CZ2 3.85Å; A582-W584 PolarHBondContact O-N 3.03Å; W584-G586 PolarHBondContact O-N 3.47Å; W584-Y628 AromaticContact CH2-CD2 3.94Å; W584-Y628 HydrophobicContact CH2-CD2 3.94Å; W584-Y628 HydrophobicContact CH2-CE2 4.1Å; W584-Y628 HydrophobicContact CZ2-CD2 4.11Å; W584-Y628 AromaticContact CZ2-CE2 3.94Å; W584-Y628 HydrophobicContact CZ2-CE2 3.94Å
585	C	79.4	Confident	85.5	Confident	8 Å²	8	29.2 Å²	29.2	5%	0.054	16%	0.163	C	C	.	.			trans	-84.9	110.8	-176	150.6	0	0	0	0	110.7	A582 P583 C588 Q589 Y628	A582-C585 HydrophobicContact CB-CB 4.22Å; A582-C585 WeakPolarHBondContact O-CB 3.42Å; A582-C585 PolarHBondContact O-N 3.46Å; P583-C585 VanDerWaalsContact C-N 3.29Å; P583-C585 PolarHBondContact O-N 3.27Å; C585-C588 HydrophobicContact CB-CB 3.71Å; C585-C588 WeakPolarHBondContact CB-SG 3.02Å; C585-C588 WeakPolarHBondContact O-CA 3.16Å; C585-C588 WeakPolarHBondContact O-CB 3.01Å; C585-C588 PolarHBondContact O-N 2.94Å; C585-C588 WeakPolarHBondContact SG-CB 3.3Å; C585-C588 PolarHBondContact SG-N 3Å; C585-C588 CovalentContact SG-SG 2.06Å; C585-C588 PolarHBondContact SG-SG 2.89Å; C585-Q589 PolarHBondContact O-N 2.79Å; C585-Y628 PolarHBondContact SG-O 2.67Å
586	G	72.4	Confident	85.3	Confident	40 Å²	40	30.5 Å²	30.5	41%	0.412	17%	0.167	S	C	.	.	H	α-helix	trans	-52.6	-46.9	178.8	0	0	0	0	0	114.5	W584 C588 Q589 A590	W584-G586 PolarHBondContact O-N 3.47Å; G586-C588 PolarHBondContact O-N 3.31Å; G586-Q589 PolarHBondContact O-N 3.22Å; G586-A590 PolarHBondContact O-N 2.91Å
587	P	82.8	Confident	84.8	Confident	83 Å²	83	35.2 Å²	35.2	54%	0.539	19%	0.185	S	C	.	.	H	α-helix	trans	-61	-31	173.8	-26	35.6	0	0	0	114	M591	P587-M591 WeakPolarHBondContact O-CB 3.38Å; P587-M591 PolarHBondContact O-N 2.75Å
588	C	83.6	Confident	84.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.3	-47	176.7	-53.9	0	0	0	0	110.7	C585 G586 A590 M591 M592 Y628 P629	C585-C588 HydrophobicContact CB-CB 3.71Å; C585-C588 WeakPolarHBondContact CB-SG 3.02Å; C585-C588 WeakPolarHBondContact O-CA 3.16Å; C585-C588 WeakPolarHBondContact O-CB 3.01Å; C585-C588 PolarHBondContact O-N 2.94Å; C585-C588 WeakPolarHBondContact SG-CB 3.3Å; C585-C588 PolarHBondContact SG-N 3Å; C585-C588 CovalentContact SG-SG 2.06Å; C585-C588 PolarHBondContact SG-SG 2.89Å; G586-C588 PolarHBondContact O-N 3.31Å; C588-A590 VanDerWaalsContact C-N 3.28Å; C588-A590 PolarHBondContact O-N 2.81Å; C588-M591 PolarHBondContact O-N 3.08Å; C588-M591 VanDerWaalsContact O-N 3.17Å; C588-M592 PolarHBondContact O-N 2.81Å; C588-Y628 VanDerWaalsContact SG-C 3.58Å; C588-Y628 WeakPolarHBondContact SG-CB 3.23Å; C588-P629 HydrophobicContact CB-CB 4.42Å; C588-P629 VanDerWaalsContact SG-CD 3.53Å; C588-P629 VanDerWaalsContact SG-N 3.38Å
589	Q	76.1	Confident	84.3	Confident	92 Å²	92	35.4 Å²	35.4	43%	0.43	19%	0.186	S	C	.	.	H	α-helix	trans	-57.7	-42.3	174.4	-65.7	174.2	-5.4	0	0	111.3	P583 C585 G586 P593	P583-Q589 PolarHBondContact O-NE2 2.93Å; C585-Q589 PolarHBondContact O-N 2.79Å; G586-Q589 PolarHBondContact O-N 3.22Å; Q589-P593 VanDerWaalsContact O-CD 3.28Å; Q589-P593 WeakPolarHBondContact O-CD 3.07Å
590	A	78.5	Confident	83.8	Confident	60 Å²	60	40.3 Å²	40.3	50%	0.496	21%	0.205	S	C	.	.	H	α-helix	trans	-68.2	-34.7	177.2	0	0	0	0	0	113.4	G586 C588	G586-A590 PolarHBondContact O-N 2.91Å; C588-A590 VanDerWaalsContact C-N 3.28Å; C588-A590 PolarHBondContact O-N 2.81Å
591	M	90.6	Very high	83.1	Confident	4 Å²	4	43 Å²	43	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-79.8	-29.5	-179.4	-169.3	-178.1	77.1	0	0	112.7	D579 P587 C588 E594 W595 P629 V631 R652 L657	D579-M591 HydrophobicContact CB-CE 4.17Å; D579-M591 VanDerWaalsContact OD1-CE 3.25Å; D579-M591 WeakPolarHBondContact OD1-CE 3.37Å; D579-M591 VanDerWaalsContact OD2-CE 3.26Å; D579-M591 WeakPolarHBondContact OD2-CE 3.43Å; P587-M591 WeakPolarHBondContact O-CB 3.38Å; P587-M591 PolarHBondContact O-N 2.75Å; C588-M591 PolarHBondContact O-N 3.08Å; C588-M591 VanDerWaalsContact O-N 3.17Å; M591-E594 CarbonylContact O-C 3.58Å; M591-E594 WeakPolarHBondContact O-CA 3.38Å; M591-E594 WeakPolarHBondContact O-CB 3.42Å; M591-E594 PolarHBondContact O-N 3.4Å; M591-W595 WeakPolarHBondContact O-CB 3.4Å; M591-W595 PolarHBondContact O-N 3.2Å; M591-P629 HydrophobicContact CB-CG 4.4Å; M591-P629 HydrophobicContact CE-CB 3.45Å; M591-P629 VanDerWaalsContact CE-CB 3.45Å; M591-P629 HydrophobicContact CE-CG 3.75Å; M591-P629 HydrophobicContact SD-CB 4.13Å; M591-P629 HydrophobicContact SD-CG 3.76Å; M591-V631 HydrophobicContact CE-CG2 3.53Å; M591-V631 HydrophobicContact SD-CG2 3.76Å; M591-R652 HydrophobicContact CG-CB 4.14Å; M591-R652 HydrophobicContact SD-CB 4.18Å; M591-R652 HydrophobicContact SD-CG 4.36Å; M591-L657 HydrophobicContact CG-CD1 4.42Å
592	M	82.6	Confident	82.9	Confident	20 Å²	20	42 Å²	42	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-51.6	-48.2	-175.3	-163.2	-172.6	-47.5	0	0	115.1	Y581 C588 E594 W595 R596	Y581-M592 HydrophobicContact CE2-CE 4.29Å; C588-M592 PolarHBondContact O-N 2.81Å; M592-E594 VanDerWaalsContact C-N 3.34Å; M592-E594 PolarHBondContact O-N 3.35Å; M592-W595 WeakPolarHBondContact O-CB 3.34Å; M592-W595 PolarHBondContact O-N 2.79Å; M592-R596 PolarHBondContact O-N 3.27Å
593	P	79.9	Confident	83.1	Confident	24 Å²	24	46 Å²	46	16%	0.156	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-38.8	176.2	24.4	-33.6	0	0	0	112.3	Q589 W595 R596 R597	Q589-P593 VanDerWaalsContact O-CD 3.28Å; Q589-P593 WeakPolarHBondContact O-CD 3.07Å; P593-W595 VanDerWaalsContact C-N 3.35Å; P593-W595 PolarHBondContact O-N 2.76Å; P593-R596 PolarHBondContact O-N 3.39Å; P593-R597 WeakPolarHBondContact O-CB 3.38Å; P593-R597 PolarHBondContact O-N 3.15Å
594	E	89.2	Confident	83.6	Confident	43 Å²	43	48.6 Å²	48.6	20%	0.201	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-34.8	176	-65.1	-61.3	129.7	0	0	111.9	M591 M592 R597 M598 A654	M591-E594 CarbonylContact O-C 3.58Å; M591-E594 WeakPolarHBondContact O-CA 3.38Å; M591-E594 WeakPolarHBondContact O-CB 3.42Å; M591-E594 PolarHBondContact O-N 3.4Å; M592-E594 VanDerWaalsContact C-N 3.34Å; M592-E594 PolarHBondContact O-N 3.35Å; E594-R597 PolarHBondContact O-N 3.33Å; E594-R597 IonicContact OE1-CZ 3.68Å; E594-R597 IonicContact OE1-NH1 2.8Å; E594-R597 PolarHBondContact OE1-NH1 3.2Å; E594-M598 WeakPolarHBondContact O-CB 3.34Å; E594-M598 PolarHBondContact O-N 2.58Å; E594-A654 HydrophobicContact CB-CB 4.39Å; E594-A654 WeakPolarHBondContact O-CB 3.28Å; E594-A654 VanDerWaalsContact OE2-CB 3.27Å; E594-A654 WeakPolarHBondContact OE2-CB 3.36Å; E594-A654 PolarHBondContact OE2-N 3.36Å
595	W	92	Very high	84.3	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-46.9	174.2	-171	-115	0	0	0	111.5	A577 D579 M591 M592 P593 M598 A599 V608 G609 V631 L657	A577-W595 HydrophobicContact CB-CH2 3.71Å; A577-W595 HydrophobicContact CB-CZ2 4.05Å; D579-W595 HydrophobicContact CB-CD2 4.09Å; D579-W595 HydrophobicContact CB-CG 4.44Å; D579-W595 HydrophobicContact CB-CZ2 3.87Å; M591-W595 WeakPolarHBondContact O-CB 3.4Å; M591-W595 PolarHBondContact O-N 3.2Å; M592-W595 WeakPolarHBondContact O-CB 3.34Å; M592-W595 PolarHBondContact O-N 2.79Å; P593-W595 VanDerWaalsContact C-N 3.35Å; P593-W595 PolarHBondContact O-N 2.76Å; W595-M598 HydrophobicContact CD2-CE 3.83Å; W595-M598 HydrophobicContact CE3-CE 3.42Å; W595-M598 VanDerWaalsContact CE3-CE 3.42Å; W595-M598 HydrophobicContact CH2-CE 3.65Å; W595-M598 HydrophobicContact CZ2-CE 4.06Å; W595-M598 HydrophobicContact CZ3-CE 3.31Å; W595-M598 PolarHBondContact O-N 3.32Å; W595-A599 WeakPolarHBondContact O-CB 3.25Å; W595-A599 PolarHBondContact O-N 3.3Å; W595-V608 HydrophobicContact CD2-CG1 4.23Å; W595-V608 HydrophobicContact CH2-CG1 4.33Å; W595-V608 HydrophobicContact CZ2-CG1 3.42Å; W595-V608 VanDerWaalsContact CZ2-CG1 3.42Å; W595-V608 VanDerWaalsContact NE1-CG1 3.34Å; W595-G609 PolarHBondContact NE1-O 3.06Å; W595-V631 HydrophobicContact CH2-CG1 3.56Å; W595-V631 HydrophobicContact CH2-CG2 4.49Å; W595-V631 HydrophobicContact CZ3-CB 4.46Å; W595-V631 HydrophobicContact CZ3-CG1 3.5Å; W595-V631 VanDerWaalsContact CZ3-CG1 3.5Å; W595-V631 HydrophobicContact CZ3-CG2 4.08Å; W595-L657 HydrophobicContact CE3-CD1 4Å; W595-L657 HydrophobicContact CZ3-CD1 4.39Å; W595-L657 HydrophobicContact CZ3-CD2 4.48Å
596	R	85.9	Confident	84.7	Confident	33 Å²	33	43.4 Å²	43.4	13%	0.125	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-41.9	174	-73	-179.4	174	126.4	9.7	112.1	D549 V555 M592 P593 A599 R600	D549-R596 WeakPolarHBondContact OD2-CD 3.37Å; D549-R596 IonicContact OD2-CZ 2.64Å; D549-R596 IonicContact OD2-NE 2.88Å; D549-R596 PolarHBondContact OD2-NE 2.83Å; D549-R596 IonicContact OD2-NH2 3.62Å; V555-R596 HydrophobicContact CG2-CG 4.04Å; M592-R596 PolarHBondContact O-N 3.27Å; P593-R596 PolarHBondContact O-N 3.39Å; R596-A599 PolarHBondContact O-N 3.42Å; R596-R600 PolarHBondContact O-N 2.91Å; R596-R600 VanDerWaalsContact O-N 3.1Å; R596-R600 PolarHBondContact O-NE 3.38Å
597	R	85	Confident	85.7	Confident	104 Å²	104	44.4 Å²	44.4	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-46.2	176.2	-174.5	-179.2	-68.6	172.7	-2.9	111.3	P593 E594 A599 R600 M601 A654	P593-R597 WeakPolarHBondContact O-CB 3.38Å; P593-R597 PolarHBondContact O-N 3.15Å; E594-R597 PolarHBondContact O-N 3.33Å; E594-R597 IonicContact OE1-CZ 3.68Å; E594-R597 IonicContact OE1-NH1 2.8Å; E594-R597 PolarHBondContact OE1-NH1 3.2Å; R597-A599 VanDerWaalsContact C-N 3.32Å; R597-A599 PolarHBondContact O-N 2.9Å; R597-R600 WeakPolarHBondContact O-CB 3.44Å; R597-R600 PolarHBondContact O-N 2.86Å; R597-M601 HydrophobicContact CG-SD 4.39Å; R597-M601 VanDerWaalsContact O-CG 3.31Å; R597-M601 WeakPolarHBondContact O-CG 3.4Å; R597-M601 PolarHBondContact O-N 2.9Å; R597-M601 VanDerWaalsContact O-N 3.15Å; R597-A654 HydrophobicContact CB-CB 3.91Å; R597-A654 HydrophobicContact CG-CB 3.9Å
598	M	92	Very high	86.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-45.2	174.6	179.4	-80.2	-62.8	0	0	111.3	E594 W595 R600 M601 V602 V608 A654 L657 R658 V661	E594-M598 WeakPolarHBondContact O-CB 3.34Å; E594-M598 PolarHBondContact O-N 2.58Å; W595-M598 HydrophobicContact CD2-CE 3.83Å; W595-M598 HydrophobicContact CE3-CE 3.42Å; W595-M598 VanDerWaalsContact CE3-CE 3.42Å; W595-M598 HydrophobicContact CH2-CE 3.65Å; W595-M598 HydrophobicContact CZ2-CE 4.06Å; W595-M598 HydrophobicContact CZ3-CE 3.31Å; W595-M598 PolarHBondContact O-N 3.32Å; M598-R600 VanDerWaalsContact C-N 3.3Å; M598-R600 PolarHBondContact O-N 3.31Å; M598-M601 WeakPolarHBondContact O-CA 3.15Å; M598-M601 WeakPolarHBondContact O-CB 3.41Å; M598-M601 PolarHBondContact O-N 3.41Å; M598-V602 WeakPolarHBondContact O-CG2 3.26Å; M598-V602 PolarHBondContact O-N 2.76Å; M598-V602 HydrophobicContact SD-CG1 4.12Å; M598-V602 HydrophobicContact SD-CG2 3.65Å; M598-V608 HydrophobicContact CE-CG1 3.99Å; M598-V608 HydrophobicContact CE-CG2 4.16Å; M598-V608 HydrophobicContact SD-CG2 4.33Å; M598-A654 HydrophobicContact CB-CB 4.12Å; M598-L657 HydrophobicContact CG-CB 3.98Å; M598-R658 HydrophobicContact CG-CB 4.03Å; M598-V661 HydrophobicContact SD-CG2 4.47Å
599	A	91.6	Very high	86.9	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-41.6	178.9	0	0	0	0	0	112.8	S554 V555 W595 R596 R597 M601 V602 S603 V608	S554-A599 WeakPolarHBondContact O-CB 3.12Å; V555-A599 HydrophobicContact CG2-CB 3.58Å; W595-A599 WeakPolarHBondContact O-CB 3.25Å; W595-A599 PolarHBondContact O-N 3.3Å; R596-A599 PolarHBondContact O-N 3.42Å; R597-A599 VanDerWaalsContact C-N 3.32Å; R597-A599 PolarHBondContact O-N 2.9Å; A599-M601 PolarHBondContact O-N 3.49Å; A599-V602 PolarHBondContact O-N 3.14Å; A599-S603 PolarHBondContact O-N 3.24Å; A599-S603 VanDerWaalsContact O-N 3.08Å; A599-V608 HydrophobicContact CB-CB 3.76Å; A599-V608 HydrophobicContact CB-CG1 3.9Å; A599-V608 HydrophobicContact CB-CG2 3.81Å
600	R	85.6	Confident	87.8	Confident	107 Å²	107	36.9 Å²	36.9	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-60.5	-43.4	171.8	-75.4	178	-79.8	163.7	-9.1	112.1	E545 S554 R596 R597 M598 V602 S603	E545-R600 IonicContact OE1-CZ 2.6Å; E545-R600 IonicContact OE1-NH2 3.87Å; E545-R600 PolarHBondContact OE1-NH2 3.3Å; S554-R600 WeakPolarHBondContact OG-CG 3.44Å; R596-R600 PolarHBondContact O-N 2.91Å; R596-R600 VanDerWaalsContact O-N 3.1Å; R596-R600 PolarHBondContact O-NE 3.38Å; R597-R600 WeakPolarHBondContact O-CB 3.44Å; R597-R600 PolarHBondContact O-N 2.86Å; M598-R600 VanDerWaalsContact C-N 3.3Å; M598-R600 PolarHBondContact O-N 3.31Å; R600-V602 VanDerWaalsContact C-N 3.32Å; R600-V602 PolarHBondContact O-N 2.64Å; R600-S603 WeakPolarHBondContact O-CB 3.48Å; R600-S603 PolarHBondContact O-N 3.1Å
601	M	83.8	Confident	88.7	Confident	56 Å²	56	34 Å²	34	28%	0.276	19%	0.187	S	C	.	.	H	α-helix	trans	-68.8	-26.5	-178.5	-62.5	168.7	84.1	0	0	113.9	R597 M598 A599 A654	R597-M601 HydrophobicContact CG-SD 4.39Å; R597-M601 VanDerWaalsContact O-CG 3.31Å; R597-M601 WeakPolarHBondContact O-CG 3.4Å; R597-M601 PolarHBondContact O-N 2.9Å; R597-M601 VanDerWaalsContact O-N 3.15Å; M598-M601 WeakPolarHBondContact O-CA 3.15Å; M598-M601 WeakPolarHBondContact O-CB 3.41Å; M598-M601 PolarHBondContact O-N 3.41Å; A599-M601 PolarHBondContact O-N 3.49Å; M601-A654 HydrophobicContact SD-CB 4.29Å
602	V	87.9	Confident	88.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	10.1	178.7	-55.2	0	0	0	0	113.1	M598 A599 R600 G604 Q605 I606 V608 R658 L662	M598-V602 WeakPolarHBondContact O-CG2 3.26Å; M598-V602 PolarHBondContact O-N 2.76Å; M598-V602 HydrophobicContact SD-CG1 4.12Å; M598-V602 HydrophobicContact SD-CG2 3.65Å; A599-V602 PolarHBondContact O-N 3.14Å; R600-V602 VanDerWaalsContact C-N 3.32Å; R600-V602 PolarHBondContact O-N 2.64Å; V602-G604 PolarHBondContact O-N 2.83Å; V602-Q605 WeakPolarHBondContact O-CB 3.3Å; V602-Q605 PolarHBondContact O-N 3.4Å; V602-I606 HydrophobicContact CB-CB 4.4Å; V602-I606 HydrophobicContact CG2-CB 4.15Å; V602-I606 PolarHBondContact O-N 2.96Å; V602-I606 VanDerWaalsContact O-N 3.11Å; V602-V608 HydrophobicContact CG2-CG2 3.87Å; V602-R658 HydrophobicContact CG1-CB 4.46Å; V602-R658 HydrophobicContact CG1-CG 3.93Å; V602-L662 HydrophobicContact CG1-CD2 4.15Å; V602-L662 HydrophobicContact CG1-CG 4.21Å
603	S	85.4	Confident	89.1	Confident	86 Å²	86	33.9 Å²	33.9	60%	0.601	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	136.4	-179.5	-173.6	0	0	0	0	111.2	A599 R600 Q605	A599-S603 PolarHBondContact O-N 3.24Å; A599-S603 VanDerWaalsContact O-N 3.08Å; R600-S603 WeakPolarHBondContact O-CB 3.48Å; R600-S603 PolarHBondContact O-N 3.1Å; S603-Q605 PolarHBondContact O-N 2.78Å
604	G	81.4	Confident	89.4	Confident	83 Å²	83	37.9 Å²	37.9	86%	0.856	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-11.3	-174.6	0	0	0	0	0	115.4	V602	V602-G604 PolarHBondContact O-N 2.83Å
605	Q	84	Confident	89.2	Confident	64 Å²	64	44.9 Å²	44.9	30%	0.299	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-43	178.4	-55.6	173.6	39.8	0	0	111.5	V602 S603 L662	V602-Q605 WeakPolarHBondContact O-CB 3.3Å; V602-Q605 PolarHBondContact O-N 3.4Å; S603-Q605 PolarHBondContact O-N 2.78Å; Q605-L662 VanDerWaalsContact OE1-CD2 3.23Å
606	I	89.3	Confident	89.3	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	24%	0.236	C	C	.	.	S	Bend	trans	-138.3	135.6	-175.5	-56.2	-174.2	0	0	0	108.2	T575 A577 V602 V661 L662 L665	T575-I606 HydrophobicContact CG2-CG2 4.18Å; T575-I606 WeakPolarHBondContact O-CG2 3.23Å; A577-I606 HydrophobicContact CB-CG2 4.31Å; V602-I606 HydrophobicContact CB-CB 4.4Å; V602-I606 HydrophobicContact CG2-CB 4.15Å; V602-I606 PolarHBondContact O-N 2.96Å; V602-I606 VanDerWaalsContact O-N 3.11Å; I606-V661 HydrophobicContact CB-CG1 4.23Å; I606-V661 HydrophobicContact CD1-CB 4.22Å; I606-V661 HydrophobicContact CD1-CG1 3.17Å; I606-V661 HydrophobicContact CG1-CG1 4.22Å; I606-V661 HydrophobicContact CG2-CG1 3.71Å; I606-L662 HydrophobicContact CD1-CD2 4.1Å; I606-L665 HydrophobicContact CD1-CD1 3.82Å; I606-L665 HydrophobicContact CD1-CD2 4.02Å; I606-L665 HydrophobicContact CD1-CG 3.85Å; I606-L665 HydrophobicContact CG1-CD1 4.09Å; I606-L665 HydrophobicContact CG1-CD2 4.19Å; I606-L665 HydrophobicContact CG1-CG 4.39Å
607	L	93.1	Very high	89.5	Confident	61 Å²	61	50.6 Å²	50.6	32%	0.319	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.9	173.9	-67	-170.6	0	0	0	110	Q574 T575 W576 A577	Q574-L607 HydrophobicContact CG-CD1 4.15Å; Q574-L607 HydrophobicContact CG-CG 4.49Å; T575-L607 PolarHBondContact O-N 2.77Å; W576-L607 CarbonylContact C-O 3.54Å; W576-L607 VanDerWaalsContact CA-O 3.26Å; W576-L607 WeakPolarHBondContact CA-O 3.41Å; W576-L607 HydrophobicContact CD2-CB 3.56Å; W576-L607 HydrophobicContact CD2-CD1 4.32Å; W576-L607 VanDerWaalsContact CE2-CD1 3.47Å; W576-L607 HydrophobicContact CE3-CB 3.79Å; W576-L607 HydrophobicContact CG-CB 4.1Å; W576-L607 HydrophobicContact CH2-CB 4.13Å; W576-L607 HydrophobicContact CH2-CD1 4.11Å; W576-L607 HydrophobicContact CZ2-CB 3.89Å; W576-L607 HydrophobicContact CZ2-CD1 3.34Å; W576-L607 HydrophobicContact CZ2-CG 4.28Å; W576-L607 HydrophobicContact CZ3-CB 4.07Å; A577-L607 PolarHBondContact N-O 2.94Å
608	V	95.8	Very high	90	Very high	5 Å²	5	51 Å²	51	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.8	-176.9	-171.5	0	0	0	0	109.4	V555 L556 A577 W595 M598 A599 V602	V555-V608 HydrophobicContact CG1-CG1 4.39Å; V555-V608 HydrophobicContact CG2-CG1 4.07Å; L556-V608 PolarHBondContact N-O 2.85Å; A577-V608 HydrophobicContact CB-CG2 4.43Å; A577-V608 CarbonylContact O-C 3.56Å; A577-V608 WeakPolarHBondContact O-CA 3.44Å; W595-V608 HydrophobicContact CD2-CG1 4.23Å; W595-V608 HydrophobicContact CH2-CG1 4.33Å; W595-V608 HydrophobicContact CZ2-CG1 3.42Å; W595-V608 VanDerWaalsContact CZ2-CG1 3.42Å; W595-V608 VanDerWaalsContact NE1-CG1 3.34Å; M598-V608 HydrophobicContact CE-CG1 3.99Å; M598-V608 HydrophobicContact CE-CG2 4.16Å; M598-V608 HydrophobicContact SD-CG2 4.33Å; A599-V608 HydrophobicContact CB-CB 3.76Å; A599-V608 HydrophobicContact CB-CG1 3.9Å; A599-V608 HydrophobicContact CB-CG2 3.81Å; V602-V608 HydrophobicContact CG2-CG2 3.87Å
609	G	95.6	Very high	90.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	170.6	177.9	0	0	0	0	0	113.3	L556 A577 V578 D579 W595	L556-G609 CarbonylContact O-C 3.48Å; L556-G609 WeakPolarHBondContact O-CA 3.25Å; A577-G609 PolarHBondContact O-N 2.92Å; V578-G609 WeakPolarHBondContact CA-O 3.32Å; D579-G609 PolarHBondContact N-O 2.72Å; W595-G609 PolarHBondContact NE1-O 3.06Å
610	S	95.4	Very high	90.5	Very high	11 Å²	11	51.9 Å²	51.9	8%	0.077	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.2	177.2	53	0	0	0	0	110.7	L556 L558 D579	L556-S610 PolarHBondContact O-N 2.89Å; L558-S610 WeakPolarHBondContact CB-O 3.38Å; L558-S610 PolarHBondContact N-O 3.36Å; D579-S610 CarbonylContact O-C 3.59Å; D579-S610 VanDerWaalsContact O-CA 3.24Å; D579-S610 WeakPolarHBondContact O-CA 3.46Å
611	V	96.3	Very high	90.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.3	177.7	177.8	0	0	0	0	108.5	L558 F563 V578 D579 F580 Y581 C613 F619	L558-V611 HydrophobicContact CB-CG2 3.9Å; F563-V611 HydrophobicContact CD2-CG2 3.97Å; V578-V611 HydrophobicContact CG1-CG2 3.91Å; D579-V611 PolarHBondContact O-N 2.95Å; F580-V611 HydrophobicContact CD1-CB 3.74Å; F580-V611 HydrophobicContact CD1-CG1 4Å; F580-V611 HydrophobicContact CD1-CG2 4.13Å; F580-V611 HydrophobicContact CE1-CB 4.01Å; F580-V611 HydrophobicContact CE1-CG1 4.2Å; F580-V611 HydrophobicContact CE1-CG2 3.89Å; F580-V611 HydrophobicContact CG-CB 4.44Å; F580-V611 HydrophobicContact CZ-CG2 4.42Å; Y581-V611 VanDerWaalsContact CD1-O 3.28Å; Y581-V611 WeakPolarHBondContact CD1-O 3.26Å; Y581-V611 PolarHBondContact N-O 3.41Å; V611-C613 PolarHBondContact O-N 3.25Å; V611-F619 HydrophobicContact CG1-CD1 4.01Å; V611-F619 HydrophobicContact CG1-CE1 3.92Å; V611-F619 HydrophobicContact CG2-CE1 4.44Å
612	D	89.8	Confident	91.4	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.112	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.1	172.9	177	-0.8	0	0	0	110.6	Y581 P583 Q614 R615 F616	Y581-D612 HydrophobicContact CE1-CB 4.16Å; P583-D612 WeakPolarHBondContact CD-OD1 3.42Å; D612-Q614 WeakPolarHBondContact OD1-CA 3.01Å; D612-Q614 VanDerWaalsContact OD1-CB 3.29Å; D612-Q614 WeakPolarHBondContact OD1-CB 3.45Å; D612-Q614 PolarHBondContact OD1-N 3.41Å; D612-R615 HydrophobicContact CB-CB 4.2Å; D612-R615 PolarHBondContact OD1-N 3.38Å; D612-R615 VanDerWaalsContact OD1-N 3.09Å; D612-R615 VanDerWaalsContact OD2-CB 3.23Å; D612-R615 WeakPolarHBondContact OD2-CB 3.34Å; D612-F616 WeakPolarHBondContact O-CB 3.3Å; D612-F616 WeakPolarHBondContact O-CD2 3.39Å; D612-F616 PolarHBondContact O-N 2.84Å
613	C	92.7	Very high	91.8	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.7	179.6	-65.6	0	0	0	0	114.6	Y581 V611 Q617 C620 Y628	Y581-C613 WeakPolarHBondContact O-CB 3.42Å; Y581-C613 PolarHBondContact O-N 2.94Å; V611-C613 PolarHBondContact O-N 3.25Å; C613-Q617 VanDerWaalsContact O-CA 3.26Å; C613-Q617 WeakPolarHBondContact O-CA 3.32Å; C613-Q617 PolarHBondContact O-N 3.47Å; C613-C620 WeakPolarHBondContact CA-SG 3.36Å; C613-C620 HydrophobicContact CB-CB 3.6Å; C613-C620 WeakPolarHBondContact CB-SG 3.37Å; C613-C620 WeakPolarHBondContact SG-CB 3.47Å; C613-C620 CovalentContact SG-SG 2.04Å; C613-C620 PolarHBondContact SG-SG 2.96Å; C613-Y628 HydrophobicContact CB-CD1 4.25Å; C613-Y628 HydrophobicContact CB-CE1 3.38Å
614	Q	85.4	Confident	92.2	Very high	108 Å²	108	53.1 Å²	53.1	51%	0.505	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-45.2	166	177.7	178.4	-18.4	0	0	109.7	D612	D612-Q614 WeakPolarHBondContact OD1-CA 3.01Å; D612-Q614 VanDerWaalsContact OD1-CB 3.29Å; D612-Q614 WeakPolarHBondContact OD1-CB 3.45Å; D612-Q614 PolarHBondContact OD1-N 3.41Å
615	R	84.8	Confident	92.9	Very high	190 Å²	190	49.6 Å²	49.6	72%	0.717	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-39.4	177.4	-174.3	174.6	179.2	177.5	-0.7	113	D612	D612-R615 HydrophobicContact CB-CB 4.2Å; D612-R615 PolarHBondContact OD1-N 3.38Å; D612-R615 VanDerWaalsContact OD1-N 3.09Å; D612-R615 VanDerWaalsContact OD2-CB 3.23Å; D612-R615 WeakPolarHBondContact OD2-CB 3.34Å
616	F	94.2	Very high	93.2	Very high	40 Å²	40	58 Å²	58	18%	0.175	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	50.5	-176.1	-53.5	-63.5	0	0	0	112.7	D559 P560 D612 T618 F619 C620	D559-F616 HydrophobicContact CB-CE1 4.25Å; D559-F616 HydrophobicContact CB-CE2 3.89Å; D559-F616 HydrophobicContact CB-CZ 3.57Å; P560-F616 HydrophobicContact CG-CB 4.21Å; P560-F616 HydrophobicContact CG-CD1 3.8Å; P560-F616 HydrophobicContact CG-CE1 4.34Å; P560-F616 HydrophobicContact CG-CG 4.01Å; D612-F616 WeakPolarHBondContact O-CB 3.3Å; D612-F616 WeakPolarHBondContact O-CD2 3.39Å; D612-F616 PolarHBondContact O-N 2.84Å; F616-T618 PolarHBondContact O-N 2.89Å; F616-F619 HydrophobicContact CB-CB 4.09Å; F616-F619 HydrophobicContact CB-CD1 4.43Å; F616-F619 WeakPolarHBondContact O-CB 3.44Å; F616-F619 PolarHBondContact O-N 2.94Å; F616-F619 VanDerWaalsContact O-N 3.14Å; F616-C620 PolarHBondContact O-N 3.36Å
617	Q	91.2	Very high	93.3	Very high	117 Å²	117	60.8 Å²	60.8	55%	0.547	31%	0.308	S	S	.	.	H	α-helix	trans	-55	-47.8	-172.8	-168.4	179.4	14.4	0	0	113.8	C613 F619 C620 Q621	C613-Q617 VanDerWaalsContact O-CA 3.26Å; C613-Q617 WeakPolarHBondContact O-CA 3.32Å; C613-Q617 PolarHBondContact O-N 3.47Å; Q617-F619 VanDerWaalsContact C-N 3.33Å; Q617-F619 PolarHBondContact O-N 3.46Å; Q617-C620 PolarHBondContact O-N 2.93Å; Q617-Q621 WeakPolarHBondContact O-CB 3.4Å; Q617-Q621 VanDerWaalsContact O-CG 3.31Å; Q617-Q621 WeakPolarHBondContact O-CG 3.48Å; Q617-Q621 PolarHBondContact O-N 3.41Å
618	T	95.4	Very high	93.1	Very high	113 Å²	113	60.9 Å²	60.9	69%	0.693	30%	0.304	S	S	*	.	H	α-helix	trans	-63.3	-39.6	179.3	48	0	0	0	0	112	F616 S622	F616-T618 PolarHBondContact O-N 2.89Å; T618-S622 WeakPolarHBondContact O-CB 3.39Å; T618-S622 PolarHBondContact O-N 3.26Å
619	F	96.5	Very high	93.1	Very high	20 Å²	20	60.9 Å²	60.9	9%	0.088	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-49.5	175.6	172.7	-107.6	0	0	0	111.3	P560 F563 F580 V611 F616 Q617 Q621 S622 Q623	P560-F619 HydrophobicContact CB-CB 4.31Å; P560-F619 HydrophobicContact CB-CD1 4.48Å; P560-F619 HydrophobicContact CB-CD2 3.78Å; P560-F619 HydrophobicContact CB-CE2 4.21Å; P560-F619 HydrophobicContact CB-CG 3.93Å; P560-F619 HydrophobicContact CG-CB 3.79Å; P560-F619 HydrophobicContact CG-CD1 4.14Å; P560-F619 HydrophobicContact CG-CD2 4.15Å; P560-F619 HydrophobicContact CG-CG 3.76Å; F563-F619 HydrophobicContact CB-CE1 4.43Å; F563-F619 HydrophobicContact CB-CZ 3.93Å; F563-F619 HydrophobicContact CD1-CE2 4.3Å; F563-F619 AromaticContact CD1-CZ 3.57Å; F563-F619 HydrophobicContact CD1-CZ 3.57Å; F563-F619 HydrophobicContact CD2-CZ 4.28Å; F563-F619 HydrophobicContact CE1-CZ 4.14Å; F563-F619 HydrophobicContact CG-CE1 4.26Å; F563-F619 AromaticContact CG-CZ 3.65Å; F563-F619 HydrophobicContact CG-CZ 3.65Å; F580-F619 HydrophobicContact CE1-CE1 4.23Å; V611-F619 HydrophobicContact CG1-CD1 4.01Å; V611-F619 HydrophobicContact CG1-CE1 3.92Å; V611-F619 HydrophobicContact CG2-CE1 4.44Å; F616-F619 HydrophobicContact CB-CB 4.09Å; F616-F619 HydrophobicContact CB-CD1 4.43Å; F616-F619 WeakPolarHBondContact O-CB 3.44Å; F616-F619 PolarHBondContact O-N 2.94Å; F616-F619 VanDerWaalsContact O-N 3.14Å; Q617-F619 VanDerWaalsContact C-N 3.33Å; Q617-F619 PolarHBondContact O-N 3.46Å; F619-Q621 VanDerWaalsContact C-N 3.32Å; F619-Q621 PolarHBondContact O-N 3.26Å; F619-S622 WeakPolarHBondContact O-CA 3.34Å; F619-S622 WeakPolarHBondContact O-CB 3.19Å; F619-S622 PolarHBondContact O-N 3.07Å; F619-S622 PolarHBondContact O-OG 3.26Å; F619-Q623 HydrophobicContact CD1-CG 4.5Å; F619-Q623 HydrophobicContact CD2-CG 4.29Å; F619-Q623 HydrophobicContact CE1-CG 4.05Å; F619-Q623 HydrophobicContact CE2-CG 3.82Å; F619-Q623 HydrophobicContact CZ-CG 3.68Å; F619-Q623 WeakPolarHBondContact O-CG 3.17Å; F619-Q623 PolarHBondContact O-N 3.08Å
620	C	96.3	Very high	93.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-38	179.2	-71.1	0	0	0	0	112.9	C613 F616 Q617 Q623 G624 V625	C613-C620 WeakPolarHBondContact CA-SG 3.36Å; C613-C620 HydrophobicContact CB-CB 3.6Å; C613-C620 WeakPolarHBondContact CB-SG 3.37Å; C613-C620 WeakPolarHBondContact SG-CB 3.47Å; C613-C620 CovalentContact SG-SG 2.04Å; C613-C620 PolarHBondContact SG-SG 2.96Å; F616-C620 PolarHBondContact O-N 3.36Å; Q617-C620 PolarHBondContact O-N 2.93Å; C620-Q623 CarbonylContact O-C 3.59Å; C620-Q623 PolarHBondContact O-N 3.31Å; C620-G624 PolarHBondContact O-N 3.45Å; C620-V625 HydrophobicContact CB-CB 4.26Å; C620-V625 HydrophobicContact CB-CG2 4.41Å; C620-V625 WeakPolarHBondContact O-CB 3.27Å; C620-V625 PolarHBondContact O-N 3.02Å
621	Q	94.4	Very high	93.2	Very high	120 Å²	120	62 Å²	62	56%	0.561	31%	0.309	S	S	*	.	H	α-helix	trans	-61.4	-42.9	171.3	-73.1	174.6	-2.2	0	0	111.6	Q617 F619 Q623 G624	Q617-Q621 WeakPolarHBondContact O-CB 3.4Å; Q617-Q621 VanDerWaalsContact O-CG 3.31Å; Q617-Q621 WeakPolarHBondContact O-CG 3.48Å; Q617-Q621 PolarHBondContact O-N 3.41Å; F619-Q621 VanDerWaalsContact C-N 3.32Å; F619-Q621 PolarHBondContact O-N 3.26Å; Q621-Q623 VanDerWaalsContact C-N 3.25Å; Q621-Q623 PolarHBondContact O-N 3.39Å; Q621-G624 WeakPolarHBondContact O-CA 3.41Å; Q621-G624 PolarHBondContact O-N 3.28Å
622	S	95.3	Very high	93.2	Very high	81 Å²	81	62.4 Å²	62.4	57%	0.566	31%	0.31	S	S	*	.	H	α-helix	trans	-63.2	-30.6	175.5	82.9	0	0	0	0	113.1	T618 F619 G624	T618-S622 WeakPolarHBondContact O-CB 3.39Å; T618-S622 PolarHBondContact O-N 3.26Å; F619-S622 WeakPolarHBondContact O-CA 3.34Å; F619-S622 WeakPolarHBondContact O-CB 3.19Å; F619-S622 PolarHBondContact O-N 3.07Å; F619-S622 PolarHBondContact O-OG 3.26Å; S622-G624 PolarHBondContact O-N 3.18Å
623	Q	94.6	Very high	93.4	Very high	34 Å²	34	61.6 Å²	61.6	16%	0.159	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	3.1	173.6	-59.3	-45.9	-72.7	0	0	112.5	F580 F619 C620 Q621 V625 R632	F580-Q623 HydrophobicContact CE1-CB 4.47Å; F580-Q623 HydrophobicContact CE1-CG 4.41Å; F619-Q623 HydrophobicContact CD1-CG 4.5Å; F619-Q623 HydrophobicContact CD2-CG 4.29Å; F619-Q623 HydrophobicContact CE1-CG 4.05Å; F619-Q623 HydrophobicContact CE2-CG 3.82Å; F619-Q623 HydrophobicContact CZ-CG 3.68Å; F619-Q623 WeakPolarHBondContact O-CG 3.17Å; F619-Q623 PolarHBondContact O-N 3.08Å; C620-Q623 CarbonylContact O-C 3.59Å; C620-Q623 PolarHBondContact O-N 3.31Å; Q621-Q623 VanDerWaalsContact C-N 3.25Å; Q621-Q623 PolarHBondContact O-N 3.39Å; Q623-V625 VanDerWaalsContact C-N 3.32Å; Q623-V625 HydrophobicContact CB-CG2 4.33Å; Q623-V625 PolarHBondContact O-N 2.84Å; Q623-R632 PolarHBondContact O-NH1 3.1Å; Q623-R632 PolarHBondContact O-NH2 3.39Å; Q623-R632 VanDerWaalsContact O-NH2 3.17Å
624	G	94.9	Very high	93.5	Very high	40 Å²	40	61.7 Å²	61.7	41%	0.412	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	26.3	178.6	0	0	0	0	0	114.2	C620 Q621 S622 R632	C620-G624 PolarHBondContact O-N 3.45Å; Q621-G624 WeakPolarHBondContact O-CA 3.41Å; Q621-G624 PolarHBondContact O-N 3.28Å; S622-G624 PolarHBondContact O-N 3.18Å; G624-R632 PolarHBondContact O-NH2 3.12Å
625	V	95.6	Very high	93.4	Very high	10 Å²	10	58.8 Å²	58.8	6%	0.061	30%	0.298	C	S	.	.			trans	-75	124.9	173.9	-177.7	0	0	0	0	108.8	F580 C620 Q623 Y628 E630	F580-V625 HydrophobicContact CB-CG1 4.06Å; F580-V625 HydrophobicContact CB-CG2 3.97Å; F580-V625 HydrophobicContact CD1-CG2 3.73Å; F580-V625 HydrophobicContact CD2-CG2 4.36Å; F580-V625 HydrophobicContact CE1-CG2 4.28Å; F580-V625 HydrophobicContact CG-CG2 3.76Å; C620-V625 HydrophobicContact CB-CB 4.26Å; C620-V625 HydrophobicContact CB-CG2 4.41Å; C620-V625 WeakPolarHBondContact O-CB 3.27Å; C620-V625 PolarHBondContact O-N 3.02Å; Q623-V625 VanDerWaalsContact C-N 3.32Å; Q623-V625 HydrophobicContact CB-CG2 4.33Å; Q623-V625 PolarHBondContact O-N 2.84Å; V625-Y628 HydrophobicContact CG1-CD1 3.87Å; V625-Y628 HydrophobicContact CG1-CE1 3.57Å; V625-E630 HydrophobicContact CG1-CB 3.92Å; V625-E630 HydrophobicContact CG1-CG 4.35Å
626	R	90.9	Very high	93	Very high	241 Å²	241	50.5 Å²	50.5	91%	0.909	27%	0.271	S	S	*	.			trans	-119.1	-16.3	-174.4	-63.2	-175.5	-177.4	-177.7	0.2	114.4
627	A	91.2	Very high	92	Very high	64 Å²	64	52.5 Å²	52.5	53%	0.529	28%	0.284	S	S	.	.	S	Bend	trans	-147.9	158.7	179.6	0	0	0	0	0	108.8	E630	A627-E630 WeakPolarHBondContact O-CB 2.91Å
628	Y	89.5	Confident	90.9	Very high	62 Å²	62	50.4 Å²	50.4	24%	0.243	28%	0.279	C	S	.	.	S	Bend	trans	-125.1	142.8	-179.6	-46.7	-63.1	0	0	0	110.2	A582 W584 C585 C588 C613 V625	A582-Y628 HydrophobicContact CB-CD2 3.74Å; A582-Y628 HydrophobicContact CB-CE2 4.05Å; A582-Y628 HydrophobicContact CB-CG 4.1Å; W584-Y628 AromaticContact CH2-CD2 3.94Å; W584-Y628 HydrophobicContact CH2-CD2 3.94Å; W584-Y628 HydrophobicContact CH2-CE2 4.1Å; W584-Y628 HydrophobicContact CZ2-CD2 4.11Å; W584-Y628 AromaticContact CZ2-CE2 3.94Å; W584-Y628 HydrophobicContact CZ2-CE2 3.94Å; C585-Y628 PolarHBondContact SG-O 2.67Å; C588-Y628 VanDerWaalsContact SG-C 3.58Å; C588-Y628 WeakPolarHBondContact SG-CB 3.23Å; C613-Y628 HydrophobicContact CB-CD1 4.25Å; C613-Y628 HydrophobicContact CB-CE1 3.38Å; V625-Y628 HydrophobicContact CG1-CD1 3.87Å; V625-Y628 HydrophobicContact CG1-CE1 3.57Å
629	P	94.9	Very high	90	Very high	6 Å²	6	55.7 Å²	55.7	4%	0.039	29%	0.287	C	S	.	.	S	Bend	cis	-79.4	136.4	-8.4	28.7	-29.2	0	0	0	112.1	D579 F580 C588 M591 R652	D579-P629 WeakPolarHBondContact OD1-CB 3.31Å; F580-P629 WeakPolarHBondContact O-CA 3.32Å; C588-P629 HydrophobicContact CB-CB 4.42Å; C588-P629 VanDerWaalsContact SG-CD 3.53Å; C588-P629 VanDerWaalsContact SG-N 3.38Å; M591-P629 HydrophobicContact CB-CG 4.4Å; M591-P629 HydrophobicContact CE-CB 3.45Å; M591-P629 VanDerWaalsContact CE-CB 3.45Å; M591-P629 HydrophobicContact CE-CG 3.75Å; M591-P629 HydrophobicContact SD-CB 4.13Å; M591-P629 HydrophobicContact SD-CG 3.76Å; P629-R652 PolarHBondContact O-NH1 3.4Å; P629-R652 PolarHBondContact O-NH2 2.94Å
630	E	96.3	Very high	89	Confident	35 Å²	35	59.5 Å²	59.5	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.2	173.6	169.3	71.8	-179.4	0	0	108.9	F580 V625 A627 R632 S646	F580-E630 HydrophobicContact CB-CB 4.24Å; F580-E630 PolarHBondContact N-O 3.44Å; F580-E630 PolarHBondContact O-N 2.93Å; V625-E630 HydrophobicContact CG1-CB 3.92Å; V625-E630 HydrophobicContact CG1-CG 4.35Å; A627-E630 WeakPolarHBondContact O-CB 2.91Å; E630-R632 HydrophobicContact CG-CG 4.11Å; E630-R632 IonicContact OE1-CZ 3.97Å; E630-R632 IonicContact OE1-NE 2.7Å; E630-R632 PolarHBondContact OE1-NE 3.04Å; E630-R632 IonicContact OE1-NH2 2.87Å; E630-S646 WeakPolarHBondContact OE1-CB 3.49Å; E630-S646 PolarHBondContact OE1-OG 3.48Å
631	V	97.3	Very high	88.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.6	-178.4	173.4	0	0	0	0	109.5	M591 W595 S646 Y647 W660	M591-V631 HydrophobicContact CE-CG2 3.53Å; M591-V631 HydrophobicContact SD-CG2 3.76Å; W595-V631 HydrophobicContact CH2-CG1 3.56Å; W595-V631 HydrophobicContact CH2-CG2 4.49Å; W595-V631 HydrophobicContact CZ3-CB 4.46Å; W595-V631 HydrophobicContact CZ3-CG1 3.5Å; W595-V631 VanDerWaalsContact CZ3-CG1 3.5Å; W595-V631 HydrophobicContact CZ3-CG2 4.08Å; V631-S646 WeakPolarHBondContact O-CA 3.46Å; V631-Y647 PolarHBondContact O-N 3.32Å; V631-W660 HydrophobicContact CG1-CH2 4.3Å; V631-W660 HydrophobicContact CG1-CZ3 3.79Å
632	R	96.6	Very high	87.6	Confident	8 Å²	8	60.6 Å²	60.6	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.7	-176.8	-67.7	179.6	179.3	178.3	2.1	112.2	A577 V578 F580 Q623 G624 E630 Y634 F644 T645	A577-R632 CarbonylContact C-O 3.49Å; A577-R632 WeakPolarHBondContact CA-O 3.48Å; V578-R632 PolarHBondContact N-O 2.95Å; V578-R632 PolarHBondContact O-N 3.45Å; F580-R632 HydrophobicContact CE2-CB 4.39Å; F580-R632 HydrophobicContact CE2-CG 4.4Å; Q623-R632 PolarHBondContact O-NH1 3.1Å; Q623-R632 PolarHBondContact O-NH2 3.39Å; Q623-R632 VanDerWaalsContact O-NH2 3.17Å; G624-R632 PolarHBondContact O-NH2 3.12Å; E630-R632 HydrophobicContact CG-CG 4.11Å; E630-R632 IonicContact OE1-CZ 3.97Å; E630-R632 IonicContact OE1-NE 2.7Å; E630-R632 PolarHBondContact OE1-NE 3.04Å; E630-R632 IonicContact OE1-NH2 2.87Å; R632-Y634 HydrophobicContact CB-CE2 3.79Å; R632-F644 HydrophobicContact CB-CB 4.26Å; R632-F644 HydrophobicContact CB-CD2 4.21Å; R632-F644 HydrophobicContact CB-CG 4.38Å; R632-F644 HydrophobicContact CG-CD2 3.73Å; R632-F644 HydrophobicContact CG-CE2 4.12Å; R632-F644 HydrophobicContact CG-CG 4.27Å; R632-F644 VanDerWaalsContact CZ-CZ 3.42Å; R632-T645 CarbonylContact C-O 3.5Å; R632-T645 WeakPolarHBondContact CA-O 3.38Å
633	L	94.3	Very high	87.2	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.7	172.7	-165.2	83.4	0	0	0	111.1	T575 W576 A577 F644 T645 W660 V661 S664	T575-L633 HydrophobicContact CG2-CD1 3.76Å; T575-L633 HydrophobicContact CG2-CD2 4.08Å; T575-L633 HydrophobicContact CG2-CG 3.86Å; W576-L633 CarbonylContact O-C 3.6Å; W576-L633 WeakPolarHBondContact O-CA 3.44Å; W576-L633 WeakPolarHBondContact O-CD1 3.25Å; A577-L633 HydrophobicContact CB-CD1 3.92Å; L633-F644 CarbonylContact O-C 3.54Å; L633-F644 WeakPolarHBondContact O-CA 3.47Å; L633-F644 WeakPolarHBondContact O-CB 3.45Å; L633-T645 PolarHBondContact N-O 3.16Å; L633-T645 PolarHBondContact O-N 3.44Å; L633-W660 HydrophobicContact CB-CH2 3.56Å; L633-W660 HydrophobicContact CB-CZ2 4.05Å; L633-W660 HydrophobicContact CB-CZ3 4.13Å; L633-V661 HydrophobicContact CD1-CB 4.26Å; L633-V661 HydrophobicContact CD1-CG1 3.42Å; L633-V661 VanDerWaalsContact CD1-CG1 3.42Å; L633-V661 HydrophobicContact CD1-CG2 4.3Å; L633-S664 WeakPolarHBondContact CD2-OG 3.37Å
634	Y	92.9	Very high	87.1	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.7	175.8	-60.1	-94.4	0	0	0	109	F563 V567 T575 W576 V578 R632 F644	F563-Y634 HydrophobicContact CE2-CE2 4.29Å; F563-Y634 HydrophobicContact CZ-CE1 4.11Å; F563-Y634 HydrophobicContact CZ-CE2 4.12Å; F563-Y634 AromaticContact CZ-CZ 3.65Å; F563-Y634 WeakPolarHBondContact CZ-OH 3.49Å; V567-Y634 HydrophobicContact CG1-CD1 4.03Å; V567-Y634 HydrophobicContact CG1-CD2 3.6Å; V567-Y634 HydrophobicContact CG1-CE1 4.41Å; V567-Y634 HydrophobicContact CG1-CE2 4.04Å; V567-Y634 HydrophobicContact CG1-CG 3.61Å; T575-Y634 WeakPolarHBondContact CA-O 3.46Å; W576-Y634 HydrophobicContact CB-CD2 4.49Å; W576-Y634 PolarHBondContact N-O 3.37Å; W576-Y634 PolarHBondContact O-N 3.39Å; V578-Y634 HydrophobicContact CB-CE2 4.03Å; V578-Y634 HydrophobicContact CG2-CD2 3.95Å; V578-Y634 HydrophobicContact CG2-CE2 3.84Å; R632-Y634 HydrophobicContact CB-CE2 3.79Å; Y634-F644 HydrophobicContact CD1-CB 3.9Å; Y634-F644 HydrophobicContact CE1-CB 3.72Å; Y634-F644 HydrophobicContact CE1-CD1 4.05Å; Y634-F644 HydrophobicContact CE1-CG 4.27Å; Y634-F644 HydrophobicContact CE2-CB 4.48Å; Y634-F644 HydrophobicContact CG-CB 4.36Å
635	S	84.8	Confident	86.9	Confident	47 Å²	47	68.1 Å²	68.1	33%	0.329	33%	0.33	S	S	.	.			trans	-69.7	157	-176.6	75.8	0	0	0	0	112.9	R570 N637	R570-S635 VanDerWaalsContact CZ-O 3.25Å; R570-S635 PolarHBondContact NE-O 3.28Å; R570-S635 PolarHBondContact NH2-O 2.9Å; S635-N637 PolarHBondContact O-N 3.33Å
636	G	75.1	Confident	86.8	Confident	16 Å²	16	68.9 Å²	68.9	17%	0.165	34%	0.336	C	S	.	.	S	Bend	trans	-67.6	7.5	178.1	0	0	0	0	0	117.2	G573 Q574 T638	G573-G636 PolarHBondContact N-O 3.26Å; Q574-G636 WeakPolarHBondContact O-CA 3.49Å; Q574-G636 PolarHBondContact O-N 3.36Å; G636-T638 PolarHBondContact O-N 2.64Å
637	N	73.7	Confident	87	Confident	83 Å²	83	58.3 Å²	58.3	44%	0.444	30%	0.296	S	S	.	.			trans	-81.4	108.6	172.6	-174.1	-5.6	0	0	0	110.6	S635 R639	S635-N637 PolarHBondContact O-N 3.33Å; N637-R639 VanDerWaalsContact C-N 3.32Å; N637-R639 PolarHBondContact O-N 3.46Å; N637-R639 WeakPolarHBondContact OD1-CB 3.34Å; N637-R639 PolarHBondContact OD1-N 3.4Å; N637-R639 VanDerWaalsContact OD1-N 3.14Å
638	T	69.2	Low	87	Confident	73 Å²	73	62.4 Å²	62.4	45%	0.448	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.9	-175.5	53.6	0	0	0	0	114.1	A572 G636 Q640	A572-T638 HydrophobicContact CB-CG2 4.34Å; G636-T638 PolarHBondContact O-N 2.64Å; T638-Q640 PolarHBondContact O-N 3.07Å
639	R	75.1	Confident	86.8	Confident	224 Å²	224	60.8 Å²	60.8	85%	0.845	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.7	178.5	-63	-174.7	-173.6	177.9	2.3	113.6	N637	N637-R639 VanDerWaalsContact C-N 3.32Å; N637-R639 PolarHBondContact O-N 3.46Å; N637-R639 WeakPolarHBondContact OD1-CB 3.34Å; N637-R639 PolarHBondContact OD1-N 3.4Å; N637-R639 VanDerWaalsContact OD1-N 3.14Å
640	Q	77.1	Confident	86.3	Confident	99 Å²	99	71.6 Å²	71.6	46%	0.463	35%	0.351	S	S	.	.			trans	-137.7	78.1	178.3	-68.1	-176.9	-13.9	0	0	109.1	T638 D642 R643	T638-Q640 PolarHBondContact O-N 3.07Å; Q640-D642 PolarHBondContact O-N 3.31Å; Q640-R643 HydrophobicContact CB-CB 3.87Å; Q640-R643 WeakPolarHBondContact O-CB 3.43Å; Q640-R643 PolarHBondContact O-N 2.99Å; Q640-R643 VanDerWaalsContact O-N 3.09Å
641	P	77.8	Confident	85.9	Confident	47 Å²	47	75.4 Å²	75.4	31%	0.305	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30	-172	24	-33.3	0	0	0	112.9	K568 R570	K568-P641 HydrophobicContact CB-CB 4.44Å; K568-P641 WeakPolarHBondContact O-CB 3.35Å; R570-P641 PolarHBondContact NH1-O 3.2Å; R570-P641 PolarHBondContact NH2-O 3Å
642	D	82.3	Confident	85.6	Confident	96 Å²	96	79.2 Å²	79.2	51%	0.513	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.1	179.5	-59.2	-60	0	0	0	114.4	K568 Q640 F644	K568-D642 WeakPolarHBondContact CE-OD1 3.24Å; K568-D642 IonicContact NZ-OD1 3.86Å; K568-D642 PolarHBondContact NZ-OD1 2.59Å; Q640-D642 PolarHBondContact O-N 3.31Å; D642-F644 WeakPolarHBondContact O-CD1 3.31Å; D642-F644 PolarHBondContact O-N 3.44Å
643	R	86.7	Confident	85.3	Confident	162 Å²	162	81.3 Å²	81.3	61%	0.611	40%	0.395	S	S	*	.			trans	-76.3	124.7	-178.9	-177.9	169.8	175.1	166.3	0.8	110.8	Q640	Q640-R643 HydrophobicContact CB-CB 3.87Å; Q640-R643 WeakPolarHBondContact O-CB 3.43Å; Q640-R643 PolarHBondContact O-N 2.99Å; Q640-R643 VanDerWaalsContact O-N 3.09Å
644	F	92.3	Very high	85.1	Confident	75 Å²	75	81.1 Å²	81.1	33%	0.329	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	165.8	175.3	61.5	-95.4	0	0	0	112.1	R632 L633 Y634 D642 S646	R632-F644 HydrophobicContact CB-CB 4.26Å; R632-F644 HydrophobicContact CB-CD2 4.21Å; R632-F644 HydrophobicContact CB-CG 4.38Å; R632-F644 HydrophobicContact CG-CD2 3.73Å; R632-F644 HydrophobicContact CG-CE2 4.12Å; R632-F644 HydrophobicContact CG-CG 4.27Å; R632-F644 VanDerWaalsContact CZ-CZ 3.42Å; L633-F644 CarbonylContact O-C 3.54Å; L633-F644 WeakPolarHBondContact O-CA 3.47Å; L633-F644 WeakPolarHBondContact O-CB 3.45Å; Y634-F644 HydrophobicContact CD1-CB 3.9Å; Y634-F644 HydrophobicContact CE1-CB 3.72Å; Y634-F644 HydrophobicContact CE1-CD1 4.05Å; Y634-F644 HydrophobicContact CE1-CG 4.27Å; Y634-F644 HydrophobicContact CE2-CB 4.48Å; Y634-F644 HydrophobicContact CG-CB 4.36Å; D642-F644 WeakPolarHBondContact O-CD1 3.31Å; D642-F644 PolarHBondContact O-N 3.44Å; F644-S646 WeakPolarHBondContact CE2-OG 3.37Å
645	T	91.7	Very high	84.7	Confident	77 Å²	77	86.3 Å²	86.3	47%	0.472	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129	166.9	-51.6	0	0	0	0	108.4	R632 L633 W660	R632-T645 CarbonylContact C-O 3.5Å; R632-T645 WeakPolarHBondContact CA-O 3.38Å; L633-T645 PolarHBondContact N-O 3.16Å; L633-T645 PolarHBondContact O-N 3.44Å; T645-W660 HydrophobicContact CG2-CZ2 4.22Å; T645-W660 WeakPolarHBondContact O-CH2 3.43Å; T645-W660 WeakPolarHBondContact O-CZ2 3.18Å
646	S	93.9	Very high	84.9	Confident	26 Å²	26	85.7 Å²	85.7	18%	0.182	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.1	175.8	-61	0	0	0	0	111.1	E630 V631 F644 N648	E630-S646 WeakPolarHBondContact OE1-CB 3.49Å; E630-S646 PolarHBondContact OE1-OG 3.48Å; V631-S646 WeakPolarHBondContact O-CA 3.46Å; F644-S646 WeakPolarHBondContact CE2-OG 3.37Å; S646-N648 PolarHBondContact O-N 2.99Å
647	Y	94.4	Very high	85.8	Confident	18 Å²	18	84.9 Å²	84.9	7%	0.071	41%	0.406	C	S	.	.			trans	-77.5	117.5	172.1	-175.5	-110.7	0	0	0	110.6	V631 G649 H651 R652 L657 W660	V631-Y647 PolarHBondContact O-N 3.32Å; Y647-G649 WeakPolarHBondContact CE1-O 3.34Å; Y647-G649 VanDerWaalsContact CZ-CA 3.49Å; Y647-H651 WeakPolarHBondContact CE1-O 3.39Å; Y647-H651 PolarHBondContact OH-O 3.35Å; Y647-R652 HydrophobicContact CE1-CG 4.22Å; Y647-L657 HydrophobicContact CD1-CD2 3.72Å; Y647-L657 HydrophobicContact CD2-CD2 4.42Å; Y647-L657 HydrophobicContact CE1-CD2 3.76Å; Y647-L657 HydrophobicContact CE2-CD2 4.44Å; Y647-L657 HydrophobicContact CG-CD2 4.05Å; Y647-W660 HydrophobicContact CD2-CB 3.88Å; Y647-W660 AromaticContact CD2-CD1 3.85Å; Y647-W660 AromaticContact CD2-CD2 3.37Å; Y647-W660 HydrophobicContact CD2-CD2 3.37Å; Y647-W660 AromaticContact CD2-CE2 3.81Å; Y647-W660 AromaticContact CD2-CE3 3.7Å; Y647-W660 HydrophobicContact CD2-CE3 3.7Å; Y647-W660 AromaticContact CD2-CG 3.42Å; Y647-W660 HydrophobicContact CD2-CG 3.42Å; Y647-W660 VanDerWaalsContact CD2-CG 3.42Å; Y647-W660 HydrophobicContact CD2-CZ2 4.48Å; Y647-W660 HydrophobicContact CD2-CZ3 4.4Å; Y647-W660 HydrophobicContact CE2-CB 3.67Å; Y647-W660 HydrophobicContact CE2-CD2 4.13Å; Y647-W660 AromaticContact CE2-CG 3.72Å; Y647-W660 HydrophobicContact CE2-CG 3.72Å; Y647-W660 HydrophobicContact CG-CD2 4.21Å; Y647-W660 HydrophobicContact CG-CE3 4.19Å
648	N	90.6	Very high	86.6	Confident	150 Å²	150	82.8 Å²	82.8	80%	0.802	39%	0.391	S	S	*	.			trans	-113.7	15.5	179.2	-63.9	-50.4	0	0	0	112.7	S646	S646-N648 PolarHBondContact O-N 2.99Å
649	G	85.3	Confident	87.3	Confident	28 Å²	28	81.2 Å²	81.2	29%	0.289	39%	0.386	S	S	.	.			trans	-72	149.5	177.9	0	0	0	0	0	112	Y647	Y647-G649 WeakPolarHBondContact CE1-O 3.34Å; Y647-G649 VanDerWaalsContact CZ-CA 3.49Å
650	W	84.3	Confident	88	Confident	233 Å²	233	72.5 Å²	72.5	88%	0.883	35%	0.353	S	S	*	.	S	Bend	trans	-68	-42.8	178.3	-179.3	-95.7	0	0	0	112.2
651	H	88.4	Confident	88.6	Confident	115 Å²	115	67.8 Å²	67.8	53%	0.532	33%	0.331	S	S	.	.			trans	-87.8	127.8	-177.1	-61.1	-71	0	0	0	111.1	Y647 D653 S656	Y647-H651 WeakPolarHBondContact CE1-O 3.39Å; Y647-H651 PolarHBondContact OH-O 3.35Å; H651-D653 WeakPolarHBondContact CB-OD2 3.09Å; H651-S656 WeakPolarHBondContact CB-OG 3.4Å
652	R	92.3	Very high	88.9	Confident	81 Å²	81	65.7 Å²	65.7	31%	0.306	32%	0.317	S	S	.	.			trans	-111.1	24.6	179.7	-66.1	-178.8	176.9	-109.8	6	113	M591 P629 Y647 L657	M591-R652 HydrophobicContact CG-CB 4.14Å; M591-R652 HydrophobicContact SD-CB 4.18Å; M591-R652 HydrophobicContact SD-CG 4.36Å; P629-R652 PolarHBondContact O-NH1 3.4Å; P629-R652 PolarHBondContact O-NH2 2.94Å; Y647-R652 HydrophobicContact CE1-CG 4.22Å; R652-L657 WeakPolarHBondContact O-CD1 3.09Å
653	D	89.7	Confident	88.9	Confident	51 Å²	51	64.6 Å²	64.6	27%	0.273	32%	0.317	S	S	.	.	S	Bend	trans	-74.1	160.9	172.3	69.8	91.5	0	0	0	111.4	H651 H655 S656 L657	H651-D653 WeakPolarHBondContact CB-OD2 3.09Å; D653-H655 PolarHBondContact O-N 3.41Å; D653-H655 WeakPolarHBondContact OD1-CA 3.1Å; D653-H655 WeakPolarHBondContact OD1-CB 3.47Å; D653-H655 PolarHBondContact OD1-N 3.3Å; D653-H655 IonicContact OD1-ND1 3.87Å; D653-S656 PolarHBondContact O-N 3.35Å; D653-S656 PolarHBondContact OD1-N 2.82Å; D653-S656 PolarHBondContact OD1-OG 2.96Å; D653-S656 VanDerWaalsContact OD2-CB 3.25Å; D653-S656 WeakPolarHBondContact OD2-CB 3.41Å; D653-S656 PolarHBondContact OD2-OG 2.83Å; D653-L657 WeakPolarHBondContact O-CG 3.32Å; D653-L657 PolarHBondContact O-N 3.14Å
654	A	89.6	Confident	88.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-34.5	-174.3	0	0	0	0	0	113.3	E594 R597 M598 M601 R658	E594-A654 HydrophobicContact CB-CB 4.39Å; E594-A654 WeakPolarHBondContact O-CB 3.28Å; E594-A654 VanDerWaalsContact OE2-CB 3.27Å; E594-A654 WeakPolarHBondContact OE2-CB 3.36Å; E594-A654 PolarHBondContact OE2-N 3.36Å; R597-A654 HydrophobicContact CB-CB 3.91Å; R597-A654 HydrophobicContact CG-CB 3.9Å; M598-A654 HydrophobicContact CB-CB 4.12Å; M601-A654 HydrophobicContact SD-CB 4.29Å; A654-R658 WeakPolarHBondContact O-CB 3.25Å; A654-R658 PolarHBondContact O-N 2.91Å
655	H	85.5	Confident	87.8	Confident	111 Å²	111	56.5 Å²	56.5	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-75	-43.8	-177.4	-61.7	83.1	0	0	0	111.1	D653 L657 R658 A659	D653-H655 PolarHBondContact O-N 3.41Å; D653-H655 WeakPolarHBondContact OD1-CA 3.1Å; D653-H655 WeakPolarHBondContact OD1-CB 3.47Å; D653-H655 PolarHBondContact OD1-N 3.3Å; D653-H655 IonicContact OD1-ND1 3.87Å; H655-L657 VanDerWaalsContact C-N 3.35Å; H655-R658 PolarHBondContact O-N 3.04Å; H655-A659 WeakPolarHBondContact O-CB 3.36Å; H655-A659 PolarHBondContact O-N 3.35Å
656	S	88.7	Confident	87.1	Confident	34 Å²	34	58 Å²	58	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-44.6	175.7	-64.9	0	0	0	0	111.7	H651 D653 W660	H651-S656 WeakPolarHBondContact CB-OG 3.4Å; D653-S656 PolarHBondContact O-N 3.35Å; D653-S656 PolarHBondContact OD1-N 2.82Å; D653-S656 PolarHBondContact OD1-OG 2.96Å; D653-S656 VanDerWaalsContact OD2-CB 3.25Å; D653-S656 WeakPolarHBondContact OD2-CB 3.41Å; D653-S656 PolarHBondContact OD2-OG 2.83Å; S656-W660 PolarHBondContact O-N 3.12Å
657	L	93.3	Very high	86.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-49	176	-68.8	168.5	0	0	0	110.9	M591 W595 M598 Y647 R652 D653 H655 A659 W660 V661	M591-L657 HydrophobicContact CG-CD1 4.42Å; W595-L657 HydrophobicContact CE3-CD1 4Å; W595-L657 HydrophobicContact CZ3-CD1 4.39Å; W595-L657 HydrophobicContact CZ3-CD2 4.48Å; M598-L657 HydrophobicContact CG-CB 3.98Å; Y647-L657 HydrophobicContact CD1-CD2 3.72Å; Y647-L657 HydrophobicContact CD2-CD2 4.42Å; Y647-L657 HydrophobicContact CE1-CD2 3.76Å; Y647-L657 HydrophobicContact CE2-CD2 4.44Å; Y647-L657 HydrophobicContact CG-CD2 4.05Å; R652-L657 WeakPolarHBondContact O-CD1 3.09Å; D653-L657 WeakPolarHBondContact O-CG 3.32Å; D653-L657 PolarHBondContact O-N 3.14Å; H655-L657 VanDerWaalsContact C-N 3.35Å; L657-A659 VanDerWaalsContact C-N 3.34Å; L657-A659 PolarHBondContact O-N 3.01Å; L657-W660 PolarHBondContact O-N 2.74Å; L657-W660 VanDerWaalsContact O-N 3.17Å; L657-V661 VanDerWaalsContact O-CG2 3.25Å; L657-V661 WeakPolarHBondContact O-CG2 3.12Å; L657-V661 PolarHBondContact O-N 2.91Å
658	R	89.8	Confident	86.2	Confident	38 Å²	38	63.9 Å²	63.9	14%	0.143	33%	0.33	C	S	.	.	H	α-helix	trans	-52.3	-50.8	176.1	173.1	179.2	-177.9	-124.3	1.6	111.7	M598 V602 A654 H655 W660 V661 L662 E706	M598-R658 HydrophobicContact CG-CB 4.03Å; V602-R658 HydrophobicContact CG1-CB 4.46Å; V602-R658 HydrophobicContact CG1-CG 3.93Å; A654-R658 WeakPolarHBondContact O-CB 3.25Å; A654-R658 PolarHBondContact O-N 2.91Å; H655-R658 PolarHBondContact O-N 3.04Å; R658-W660 VanDerWaalsContact C-N 3.31Å; R658-W660 PolarHBondContact O-N 3.16Å; R658-V661 PolarHBondContact O-N 3.03Å; R658-L662 HydrophobicContact CG-CD1 3.6Å; R658-L662 HydrophobicContact CG-CG 4.27Å; R658-L662 WeakPolarHBondContact O-CB 3.37Å; R658-L662 VanDerWaalsContact O-CG 3.24Å; R658-L662 WeakPolarHBondContact O-CG 3.49Å; R658-L662 PolarHBondContact O-N 3.19Å; R658-E706 IonicContact CZ-OE1 3.48Å; R658-E706 IonicContact CZ-OE2 2.75Å; R658-E706 IonicContact NH1-OE1 3.75Å; R658-E706 IonicContact NH1-OE2 3.51Å; R658-E706 PolarHBondContact NH1-OE2 2.85Å; R658-E706 IonicContact NH2-OE1 2.81Å; R658-E706 PolarHBondContact NH2-OE1 3.17Å; R658-E706 IonicContact NH2-OE2 2.65Å; R658-E706 PolarHBondContact NH2-OE2 2.79Å
659	A	84.7	Confident	86.3	Confident	40 Å²	40	57.2 Å²	57.2	33%	0.331	30%	0.295	S	S	.	.	H	α-helix	trans	-58.5	-44.3	-179.2	0	0	0	0	0	111.6	H655 L657 S663	H655-A659 WeakPolarHBondContact O-CB 3.36Å; H655-A659 PolarHBondContact O-N 3.35Å; L657-A659 VanDerWaalsContact C-N 3.34Å; L657-A659 PolarHBondContact O-N 3.01Å; A659-S663 VanDerWaalsContact O-CB 3.28Å; A659-S663 WeakPolarHBondContact O-CB 3.19Å; A659-S663 PolarHBondContact O-N 2.94Å; A659-S663 PolarHBondContact O-OG 3.26Å
660	W	89	Confident	86.7	Confident	42 Å²	42	58.8 Å²	58.8	16%	0.159	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-50.2	177.3	172.3	74.2	0	0	0	112.7	V631 L633 T645 Y647 S656 L657 R658 L662 S663 S664	V631-W660 HydrophobicContact CG1-CH2 4.3Å; V631-W660 HydrophobicContact CG1-CZ3 3.79Å; L633-W660 HydrophobicContact CB-CH2 3.56Å; L633-W660 HydrophobicContact CB-CZ2 4.05Å; L633-W660 HydrophobicContact CB-CZ3 4.13Å; T645-W660 HydrophobicContact CG2-CZ2 4.22Å; T645-W660 WeakPolarHBondContact O-CH2 3.43Å; T645-W660 WeakPolarHBondContact O-CZ2 3.18Å; Y647-W660 HydrophobicContact CD2-CB 3.88Å; Y647-W660 AromaticContact CD2-CD1 3.85Å; Y647-W660 AromaticContact CD2-CD2 3.37Å; Y647-W660 HydrophobicContact CD2-CD2 3.37Å; Y647-W660 AromaticContact CD2-CE2 3.81Å; Y647-W660 AromaticContact CD2-CE3 3.7Å; Y647-W660 HydrophobicContact CD2-CE3 3.7Å; Y647-W660 AromaticContact CD2-CG 3.42Å; Y647-W660 HydrophobicContact CD2-CG 3.42Å; Y647-W660 VanDerWaalsContact CD2-CG 3.42Å; Y647-W660 HydrophobicContact CD2-CZ2 4.48Å; Y647-W660 HydrophobicContact CD2-CZ3 4.4Å; Y647-W660 HydrophobicContact CE2-CB 3.67Å; Y647-W660 HydrophobicContact CE2-CD2 4.13Å; Y647-W660 AromaticContact CE2-CG 3.72Å; Y647-W660 HydrophobicContact CE2-CG 3.72Å; Y647-W660 HydrophobicContact CG-CD2 4.21Å; Y647-W660 HydrophobicContact CG-CE3 4.19Å; S656-W660 PolarHBondContact O-N 3.12Å; L657-W660 PolarHBondContact O-N 2.74Å; L657-W660 VanDerWaalsContact O-N 3.17Å; R658-W660 VanDerWaalsContact C-N 3.31Å; R658-W660 PolarHBondContact O-N 3.16Å; W660-L662 VanDerWaalsContact C-N 3.32Å; W660-L662 PolarHBondContact O-N 2.95Å; W660-S663 PolarHBondContact O-N 2.96Å; W660-S663 PolarHBondContact O-OG 3.14Å; W660-S664 PolarHBondContact O-N 2.81Å; W660-S664 PolarHBondContact O-OG 2.93Å; W660-S664 VanDerWaalsContact O-OG 3.1Å
661	V	89.7	Confident	87.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-42.8	-178.5	-177.7	0	0	0	0	110.2	A577 M598 I606 L633 L657 R658 S664	A577-V661 HydrophobicContact CB-CG1 4.12Å; A577-V661 HydrophobicContact CB-CG2 4.25Å; M598-V661 HydrophobicContact SD-CG2 4.47Å; I606-V661 HydrophobicContact CB-CG1 4.23Å; I606-V661 HydrophobicContact CD1-CB 4.22Å; I606-V661 HydrophobicContact CD1-CG1 3.17Å; I606-V661 HydrophobicContact CG1-CG1 4.22Å; I606-V661 HydrophobicContact CG2-CG1 3.71Å; L633-V661 HydrophobicContact CD1-CB 4.26Å; L633-V661 HydrophobicContact CD1-CG1 3.42Å; L633-V661 VanDerWaalsContact CD1-CG1 3.42Å; L633-V661 HydrophobicContact CD1-CG2 4.3Å; L657-V661 VanDerWaalsContact O-CG2 3.25Å; L657-V661 WeakPolarHBondContact O-CG2 3.12Å; L657-V661 PolarHBondContact O-N 2.91Å; R658-V661 PolarHBondContact O-N 3.03Å; V661-S664 WeakPolarHBondContact O-CB 3.5Å; V661-S664 PolarHBondContact O-N 3.27Å
662	L	85.6	Confident	87.5	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-69.9	-34	177.7	-68.1	175.4	0	0	0	113.9	V602 Q605 I606 R658 W660 S664 L665 P705 V709	V602-L662 HydrophobicContact CG1-CD2 4.15Å; V602-L662 HydrophobicContact CG1-CG 4.21Å; Q605-L662 VanDerWaalsContact OE1-CD2 3.23Å; I606-L662 HydrophobicContact CD1-CD2 4.1Å; R658-L662 HydrophobicContact CG-CD1 3.6Å; R658-L662 HydrophobicContact CG-CG 4.27Å; R658-L662 WeakPolarHBondContact O-CB 3.37Å; R658-L662 VanDerWaalsContact O-CG 3.24Å; R658-L662 WeakPolarHBondContact O-CG 3.49Å; R658-L662 PolarHBondContact O-N 3.19Å; W660-L662 VanDerWaalsContact C-N 3.32Å; W660-L662 PolarHBondContact O-N 2.95Å; L662-S664 PolarHBondContact O-N 2.05Å; L662-S664 VanDerWaalsContact O-N 3.16Å; L662-L665 HydrophobicContact CD2-CD1 4.01Å; L662-L665 WeakPolarHBondContact O-CB 3.42Å; L662-L665 PolarHBondContact O-N 3.32Å; L662-L665 VanDerWaalsContact O-N 3.15Å; L662-P705 HydrophobicContact CB-CB 4.35Å; L662-V709 HydrophobicContact CD1-CG2 3.57Å; L662-V709 HydrophobicContact CD2-CG2 3.81Å; L662-V709 HydrophobicContact CG-CG2 4.2Å
663	S	81.3	Confident	87.7	Confident	73 Å²	73	45.3 Å²	45.3	51%	0.51	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-20.4	177.5	73.8	0	0	0	0	113.3	A659 W660	A659-S663 VanDerWaalsContact O-CB 3.28Å; A659-S663 WeakPolarHBondContact O-CB 3.19Å; A659-S663 PolarHBondContact O-N 2.94Å; A659-S663 PolarHBondContact O-OG 3.26Å; W660-S663 PolarHBondContact O-N 2.96Å; W660-S663 PolarHBondContact O-OG 3.14Å
664	S	77.3	Confident	87.9	Confident	47 Å²	47	44 Å²	44	33%	0.329	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.7	-178.8	-54.3	0	0	0	0	113.2	L633 W660 V661 L662	L633-S664 WeakPolarHBondContact CD2-OG 3.37Å; W660-S664 PolarHBondContact O-N 2.81Å; W660-S664 PolarHBondContact O-OG 2.93Å; W660-S664 VanDerWaalsContact O-OG 3.1Å; V661-S664 WeakPolarHBondContact O-CB 3.5Å; V661-S664 PolarHBondContact O-N 3.27Å; L662-S664 PolarHBondContact O-N 2.05Å; L662-S664 VanDerWaalsContact O-N 3.16Å
665	L	78.6	Confident	88.1	Confident	20 Å²	20	49.5 Å²	49.5	11%	0.105	28%	0.276	C	S	.	.	S	Bend	trans	-73.3	147.4	174.3	-67.8	177.9	0	0	0	110	T575 I606 L662 R667	T575-L665 HydrophobicContact CG2-CD2 4.4Å; I606-L665 HydrophobicContact CD1-CD1 3.82Å; I606-L665 HydrophobicContact CD1-CD2 4.02Å; I606-L665 HydrophobicContact CD1-CG 3.85Å; I606-L665 HydrophobicContact CG1-CD1 4.09Å; I606-L665 HydrophobicContact CG1-CD2 4.19Å; I606-L665 HydrophobicContact CG1-CG 4.39Å; L662-L665 HydrophobicContact CD2-CD1 4.01Å; L662-L665 WeakPolarHBondContact O-CB 3.42Å; L662-L665 PolarHBondContact O-N 3.32Å; L662-L665 VanDerWaalsContact O-N 3.15Å; L665-R667 PolarHBondContact O-N 3.22Å
666	P	77.4	Confident	88.5	Confident	107 Å²	107	45.9 Å²	45.9	70%	0.695	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-53	140.8	173.8	-24.3	33.3	0	0	0	111.6	A668 R712	P666-A668 PolarHBondContact O-N 2.96Å; P666-R712 PolarHBondContact O-NE 3.12Å; P666-R712 PolarHBondContact O-NH2 3.08Å
667	R	82.7	Confident	88.7	Confident	130 Å²	130	44.4 Å²	44.4	49%	0.491	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-64.1	129.2	173.6	-65.3	-176.5	70.1	-163.8	-7.2	109	L665 D671 E708	L665-R667 PolarHBondContact O-N 3.22Å; R667-D671 IonicContact CZ-OD1 3.65Å; R667-D671 IonicContact CZ-OD2 2.83Å; R667-D671 IonicContact NH1-OD1 3.85Å; R667-D671 IonicContact NH1-OD2 3.15Å; R667-D671 PolarHBondContact NH1-OD2 3.4Å; R667-D671 IonicContact NH2-OD1 3.25Å; R667-D671 PolarHBondContact NH2-OD1 3.06Å; R667-D671 IonicContact NH2-OD2 3.66Å; R667-D671 PolarHBondContact NH2-OD2 3.07Å; R667-E708 WeakPolarHBondContact CA-OE2 3.39Å; R667-E708 IonicContact NE-OE1 2.65Å; R667-E708 PolarHBondContact NE-OE1 2.84Å; R667-E708 IonicContact NH2-OE1 2.77Å
668	A	86.9	Confident	88.6	Confident	38 Å²	38	51.2 Å²	51.2	31%	0.314	28%	0.277	S	S	.	.			trans	-98.7	-22.5	174.3	0	0	0	0	0	111.5	P666 E708 A711 R712	P666-A668 PolarHBondContact O-N 2.96Å; A668-E708 PolarHBondContact N-OE2 2.97Å; A668-A711 HydrophobicContact CB-CB 3.78Å; A668-R712 HydrophobicContact CB-CG 3.6Å
669	S	91.7	Very high	88.6	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.07	29%	0.292	C	S	.	.	S	Bend	trans	-77.8	155.3	173.2	79	0	0	0	0	112.4	E708 A720 K722	S669-E708 WeakPolarHBondContact CB-OE1 3.5Å; S669-E708 PolarHBondContact N-OE2 2.82Å; S669-E708 PolarHBondContact OG-OE1 2.98Å; S669-A720 WeakPolarHBondContact CA-O 3.45Å; S669-K722 WeakPolarHBondContact OG-CD 3.41Å; S669-K722 WeakPolarHBondContact OG-CG 3.36Å
670	V	94.4	Very high	88.9	Confident	61 Å²	61	53.8 Å²	53.8	37%	0.37	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.5	171.3	-64	0	0	0	0	111.3	L672 W688 A720 G721 K722	V670-L672 HydrophobicContact CG2-CD2 4.09Å; V670-L672 HydrophobicContact CG2-CG 4.49Å; V670-W688 HydrophobicContact CG2-CH2 3.59Å; V670-W688 HydrophobicContact CG2-CZ3 3.57Å; V670-A720 PolarHBondContact N-O 3.37Å; V670-G721 CarbonylContact O-C 3.55Å; V670-G721 WeakPolarHBondContact O-CA 3.32Å; V670-K722 PolarHBondContact O-N 3.2Å
671	D	94	Very high	89.1	Confident	88 Å²	88	51.8 Å²	51.8	47%	0.471	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.2	172.6	-65.3	-45.2	0	0	0	109.3	R667	R667-D671 IonicContact CZ-OD1 3.65Å; R667-D671 IonicContact CZ-OD2 2.83Å; R667-D671 IonicContact NH1-OD1 3.85Å; R667-D671 IonicContact NH1-OD2 3.15Å; R667-D671 PolarHBondContact NH1-OD2 3.4Å; R667-D671 IonicContact NH2-OD1 3.25Å; R667-D671 PolarHBondContact NH2-OD1 3.06Å; R667-D671 IonicContact NH2-OD2 3.66Å; R667-D671 PolarHBondContact NH2-OD2 3.07Å
672	L	95.6	Very high	89	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.037	29%	0.288	C	S	.	.			trans	-105.2	127.9	-175.6	-65.8	173.9	0	0	0	111	V670 T676 F677 V681 W688 L690 K722 V723	V670-L672 HydrophobicContact CG2-CD2 4.09Å; V670-L672 HydrophobicContact CG2-CG 4.49Å; L672-T676 WeakPolarHBondContact CA-OG1 3.41Å; L672-F677 HydrophobicContact CB-CB 4.49Å; L672-F677 HydrophobicContact CD1-CD2 4.36Å; L672-V681 HydrophobicContact CD1-CG2 3.69Å; L672-W688 HydrophobicContact CD1-CZ3 4.28Å; L672-W688 HydrophobicContact CD2-CH2 4.12Å; L672-W688 HydrophobicContact CD2-CZ3 4.32Å; L672-L690 HydrophobicContact CD1-CD1 4.13Å; L672-L690 HydrophobicContact CD1-CD2 3.5Å; L672-K722 PolarHBondContact N-O 3.2Å; L672-V723 HydrophobicContact CB-CG2 4.11Å; L672-V723 HydrophobicContact CD1-CG2 4.27Å
673	T	95.4	Very high	88.9	Confident	52 Å²	52	57.1 Å²	57.1	32%	0.319	32%	0.319	S	S	.	.			trans	-85.4	169.3	166.7	79.6	0	0	0	0	110.3	E675 T676 F677	T673-E675 WeakPolarHBondContact CB-OE2 3Å; T673-E675 PolarHBondContact O-N 2.86Å; T673-E675 PolarHBondContact OG1-N 3.04Å; T673-E675 PolarHBondContact OG1-OE2 3.4Å; T673-T676 PolarHBondContact N-OG1 3.47Å; T673-T676 PolarHBondContact O-N 2.9Å; T673-T676 PolarHBondContact O-OG1 2.94Å; T673-T676 PolarHBondContact OG1-N 2.77Å; T673-F677 VanDerWaalsContact O-CB 3.27Å; T673-F677 WeakPolarHBondContact O-CB 3.3Å; T673-F677 PolarHBondContact O-N 2.79Å
674	P	94.7	Very high	89.1	Confident	22 Å²	22	54.3 Å²	54.3	14%	0.143	30%	0.302	C	S	.	.	H	α-helix	trans	-54.5	-36.2	173.9	-25.4	35.6	0	0	0	113	R678 H728	P674-R678 WeakPolarHBondContact O-CG 3.37Å; P674-R678 PolarHBondContact O-N 3.02Å; P674-H728 HydrophobicContact CG-CB 4.19Å
675	E	93.2	Very high	89.6	Confident	117 Å²	117	62.4 Å²	62.4	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-71.5	-46.3	179.4	-58.9	68.4	-143.7	0	0	111.5	T673 R678 S679	T673-E675 WeakPolarHBondContact CB-OE2 3Å; T673-E675 PolarHBondContact O-N 2.86Å; T673-E675 PolarHBondContact OG1-N 3.04Å; T673-E675 PolarHBondContact OG1-OE2 3.4Å; E675-R678 PolarHBondContact O-N 3.11Å; E675-S679 WeakPolarHBondContact O-CB 3.37Å; E675-S679 PolarHBondContact O-N 2.76Å; E675-S679 PolarHBondContact O-OG 2.88Å
676	T	94.8	Very high	90.2	Very high	34 Å²	34	64.7 Å²	64.7	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-73	-32	-179.8	60.9	0	0	0	0	111.7	L672 T673 S679 Q680	L672-T676 WeakPolarHBondContact CA-OG1 3.41Å; T673-T676 PolarHBondContact N-OG1 3.47Å; T673-T676 PolarHBondContact O-N 2.9Å; T673-T676 PolarHBondContact O-OG1 2.94Å; T673-T676 PolarHBondContact OG1-N 2.77Å; T676-S679 WeakPolarHBondContact CA-OG 3.21Å; T676-Q680 WeakPolarHBondContact O-CA 3.34Å; T676-Q680 WeakPolarHBondContact O-CB 3.25Å; T676-Q680 WeakPolarHBondContact O-CG 3.06Å; T676-Q680 PolarHBondContact O-N 2.97Å
677	F	93.3	Very high	90.9	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.018	32%	0.315	C	S	.	.	I	π-helix	trans	-61.3	-47.4	171.4	178.5	-109.1	0	0	0	111	L672 T673 V681 L682 L690 F692 V723 T731 Y746	L672-F677 HydrophobicContact CB-CB 4.49Å; L672-F677 HydrophobicContact CD1-CD2 4.36Å; T673-F677 VanDerWaalsContact O-CB 3.27Å; T673-F677 WeakPolarHBondContact O-CB 3.3Å; T673-F677 PolarHBondContact O-N 2.79Å; F677-V681 HydrophobicContact CD2-CB 3.99Å; F677-V681 HydrophobicContact CD2-CG1 4.38Å; F677-V681 HydrophobicContact CD2-CG2 3.91Å; F677-V681 HydrophobicContact CE2-CB 4.22Å; F677-V681 HydrophobicContact CE2-CG1 4.13Å; F677-V681 HydrophobicContact CE2-CG2 4.47Å; F677-V681 WeakPolarHBondContact O-CA 3.06Å; F677-V681 WeakPolarHBondContact O-CB 3.47Å; F677-V681 PolarHBondContact O-N 2.89Å; F677-V681 VanDerWaalsContact O-N 3.09Å; F677-L682 HydrophobicContact CD1-CD1 4.11Å; F677-L682 HydrophobicContact CD1-CG 4.3Å; F677-L682 HydrophobicContact CE1-CD1 3.69Å; F677-L682 HydrophobicContact CE1-CD2 4.17Å; F677-L682 HydrophobicContact CE1-CG 3.93Å; F677-L682 HydrophobicContact CZ-CD1 4.32Å; F677-L682 HydrophobicContact CZ-CD2 3.95Å; F677-L682 HydrophobicContact CZ-CG 4.14Å; F677-L682 PolarHBondContact O-N 3.46Å; F677-L690 HydrophobicContact CD2-CD1 3.73Å; F677-L690 HydrophobicContact CE2-CD1 3.4Å; F677-F692 HydrophobicContact CE2-CZ 4.02Å; F677-F692 HydrophobicContact CZ-CZ 4.25Å; F677-V723 HydrophobicContact CD2-CG2 4.42Å; F677-T731 HydrophobicContact CB-CG2 4.34Å; F677-T731 HydrophobicContact CD1-CG2 3.41Å; F677-T731 VanDerWaalsContact CD1-CG2 3.41Å; F677-T731 HydrophobicContact CE1-CG2 3.79Å; F677-T731 HydrophobicContact CG-CG2 3.91Å; F677-Y746 HydrophobicContact CZ-CE1 4.47Å
678	R	89.5	Confident	91.5	Very high	142 Å²	142	55.6 Å²	55.6	54%	0.536	29%	0.291	S	S	.	.	I	π-helix	trans	-66.2	-45.9	177.2	-71.7	178.3	-168.9	137.2	2.5	113.2	P674 E675 L682 S683	P674-R678 WeakPolarHBondContact O-CG 3.37Å; P674-R678 PolarHBondContact O-N 3.02Å; E675-R678 PolarHBondContact O-N 3.11Å; R678-L682 HydrophobicContact CG-CD1 4.4Å; R678-S683 WeakPolarHBondContact O-CB 3.44Å; R678-S683 PolarHBondContact O-N 2.88Å; R678-S683 PolarHBondContact O-OG 3.11Å
679	S	90.6	Very high	92	Very high	67 Å²	67	53.8 Å²	53.8	47%	0.469	28%	0.276	S	S	.	.	I	π-helix	trans	-78.4	-40.4	-173.2	56.1	0	0	0	0	113.3	E675 T676	E675-S679 WeakPolarHBondContact O-CB 3.37Å; E675-S679 PolarHBondContact O-N 2.76Å; E675-S679 PolarHBondContact O-OG 2.88Å; T676-S679 WeakPolarHBondContact CA-OG 3.21Å
680	Q	92.2	Very high	92.2	Very high	65 Å²	65	53.3 Å²	53.3	30%	0.304	27%	0.273	S	S	.	.	I	π-helix	trans	-97	-29.9	-175	-52.9	-173.1	24	0	0	114	T676 G684 W688	T676-Q680 WeakPolarHBondContact O-CA 3.34Å; T676-Q680 WeakPolarHBondContact O-CB 3.25Å; T676-Q680 WeakPolarHBondContact O-CG 3.06Å; T676-Q680 PolarHBondContact O-N 2.97Å; Q680-G684 WeakPolarHBondContact O-CA 3.49Å; Q680-W688 HydrophobicContact CB-CZ2 3.88Å; Q680-W688 PolarHBondContact O-NE1 2.9Å
681	V	91.4	Very high	92.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	I	π-helix	trans	-95.9	-65	179.3	-172.7	0	0	0	0	110	L672 F677 S683 G684 W688 L690 Y746	L672-V681 HydrophobicContact CD1-CG2 3.69Å; F677-V681 HydrophobicContact CD2-CB 3.99Å; F677-V681 HydrophobicContact CD2-CG1 4.38Å; F677-V681 HydrophobicContact CD2-CG2 3.91Å; F677-V681 HydrophobicContact CE2-CB 4.22Å; F677-V681 HydrophobicContact CE2-CG1 4.13Å; F677-V681 HydrophobicContact CE2-CG2 4.47Å; F677-V681 WeakPolarHBondContact O-CA 3.06Å; F677-V681 WeakPolarHBondContact O-CB 3.47Å; F677-V681 PolarHBondContact O-N 2.89Å; F677-V681 VanDerWaalsContact O-N 3.09Å; V681-S683 VanDerWaalsContact C-N 3.34Å; V681-S683 PolarHBondContact O-N 2.86Å; V681-G684 PolarHBondContact O-N 3.18Å; V681-W688 HydrophobicContact CB-CG 4.38Å; V681-W688 HydrophobicContact CG1-CB 4.03Å; V681-W688 HydrophobicContact CG1-CG 4.04Å; V681-W688 HydrophobicContact CG2-CD2 3.81Å; V681-W688 HydrophobicContact CG2-CE3 4.27Å; V681-W688 HydrophobicContact CG2-CG 3.96Å; V681-W688 HydrophobicContact CG2-CZ2 4.36Å; V681-L690 HydrophobicContact CG1-CD1 4.1Å; V681-L690 HydrophobicContact CG2-CD1 4.21Å; V681-L690 HydrophobicContact CG2-CD2 4.37Å; V681-Y746 HydrophobicContact CG1-CD1 4.05Å; V681-Y746 HydrophobicContact CG1-CD2 4.08Å; V681-Y746 HydrophobicContact CG1-CG 3.78Å
682	L	88.1	Confident	92.5	Very high	19 Å²	19	46.2 Å²	46.2	10%	0.099	23%	0.233	C	C	.	.	I	π-helix	trans	-73.3	-23.6	-172	-58.2	-177.4	0	0	0	114.4	F677 R678 Y746 Y754	F677-L682 HydrophobicContact CD1-CD1 4.11Å; F677-L682 HydrophobicContact CD1-CG 4.3Å; F677-L682 HydrophobicContact CE1-CD1 3.69Å; F677-L682 HydrophobicContact CE1-CD2 4.17Å; F677-L682 HydrophobicContact CE1-CG 3.93Å; F677-L682 HydrophobicContact CZ-CD1 4.32Å; F677-L682 HydrophobicContact CZ-CD2 3.95Å; F677-L682 HydrophobicContact CZ-CG 4.14Å; F677-L682 PolarHBondContact O-N 3.46Å; R678-L682 HydrophobicContact CG-CD1 4.4Å; L682-Y746 HydrophobicContact CD2-CD1 4.32Å; L682-Y746 HydrophobicContact CD2-CE1 4.03Å; L682-Y754 WeakPolarHBondContact O-CD2 3.43Å
683	S	84.6	Confident	92.6	Very high	96 Å²	96	47.7 Å²	47.7	67%	0.671	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	4.6	177.9	-46.1	0	0	0	0	112.2	R678 V681	R678-S683 WeakPolarHBondContact O-CB 3.44Å; R678-S683 PolarHBondContact O-N 2.88Å; R678-S683 PolarHBondContact O-OG 3.11Å; V681-S683 VanDerWaalsContact C-N 3.34Å; V681-S683 PolarHBondContact O-N 2.86Å
684	G	85.3	Confident	92.6	Very high	15 Å²	15	45.2 Å²	45.2	16%	0.155	22%	0.224	C	C	.	.			trans	-84.3	171.5	-175.4	0	0	0	0	0	113.7	Q680 V681 Y754	Q680-G684 WeakPolarHBondContact O-CA 3.49Å; V681-G684 PolarHBondContact O-N 3.18Å; G684-Y754 PolarHBondContact O-OH 2.98Å; G684-Y754 VanDerWaalsContact O-OH 3.09Å
685	R	86.9	Confident	92.4	Very high	216 Å²	216	46.8 Å²	46.8	82%	0.815	23%	0.234	S	C	*	.	S	Bend	trans	-108.4	8	179.5	-60.7	-175	179.3	-172	-0.4	113.3	N748	R685-N748 VanDerWaalsContact C-ND2 3.28Å; R685-N748 PolarHBondContact O-ND2 3.35Å
686	D	90.6	Very high	92.2	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.364	24%	0.239	S	C	.	.	S	Bend	trans	-106.4	150.4	-179.8	-56.6	-41.9	0	0	0	109.9	R719	D686-R719 HydrophobicContact CB-CG 4.04Å; D686-R719 VanDerWaalsContact CG-CD 3.47Å; D686-R719 WeakPolarHBondContact OD2-CD 3.33Å; D686-R719 IonicContact OD2-CZ 3.64Å; D686-R719 IonicContact OD2-NE 3.35Å; D686-R719 IonicContact OD2-NH1 3.87Å; D686-R719 PolarHBondContact OD2-NH1 3.23Å
687	H	92.9	Very high	92	Very high	45 Å²	45	48.1 Å²	48.1	21%	0.208	23%	0.231	C	C	.	.			trans	-71.9	140.4	164.8	-58.6	-81	0	0	0	109.2	V718 R719 F745 Y746 P747 N748 L777	H687-V718 HydrophobicContact CB-CB 4.36Å; H687-V718 HydrophobicContact CB-CG1 4.1Å; H687-V718 HydrophobicContact CB-CG2 3.97Å; H687-V718 WeakPolarHBondContact O-CG1 3.27Å; H687-R719 PolarHBondContact O-N 3.15Å; H687-F745 HydrophobicContact CB-CE2 4.13Å; H687-F745 HydrophobicContact CB-CZ 4.34Å; H687-Y746 WeakPolarHBondContact CA-O 3.32Å; H687-P747 WeakPolarHBondContact ND1-CA 3.43Å; H687-N748 PolarHBondContact CE1-N 3.46Å; H687-N748 VanDerWaalsContact CE1-N 3.29Å; H687-N748 PolarHBondContact ND1-N 3.35Å; H687-L777 HydrophobicContact CB-CD2 4.32Å
688	W	95.4	Very high	91.7	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.2	177.6	-74.6	86.1	0	0	0	113.3	V670 L672 Q680 V681 L690 R719 F745 Y746	V670-W688 HydrophobicContact CG2-CH2 3.59Å; V670-W688 HydrophobicContact CG2-CZ3 3.57Å; L672-W688 HydrophobicContact CD1-CZ3 4.28Å; L672-W688 HydrophobicContact CD2-CH2 4.12Å; L672-W688 HydrophobicContact CD2-CZ3 4.32Å; Q680-W688 HydrophobicContact CB-CZ2 3.88Å; Q680-W688 PolarHBondContact O-NE1 2.9Å; V681-W688 HydrophobicContact CB-CG 4.38Å; V681-W688 HydrophobicContact CG1-CB 4.03Å; V681-W688 HydrophobicContact CG1-CG 4.04Å; V681-W688 HydrophobicContact CG2-CD2 3.81Å; V681-W688 HydrophobicContact CG2-CE3 4.27Å; V681-W688 HydrophobicContact CG2-CG 3.96Å; V681-W688 HydrophobicContact CG2-CZ2 4.36Å; W688-L690 HydrophobicContact CB-CD2 4.18Å; W688-L690 HydrophobicContact CB-CG 4.42Å; W688-L690 HydrophobicContact CD2-CD2 4.33Å; W688-L690 HydrophobicContact CE3-CD2 3.65Å; W688-L690 HydrophobicContact CZ3-CD2 4.37Å; W688-R719 CarbonylContact C-O 3.46Å; W688-R719 WeakPolarHBondContact CA-O 3.4Å; W688-R719 HydrophobicContact CD2-CB 3.58Å; W688-R719 HydrophobicContact CE3-CB 3.6Å; W688-R719 HydrophobicContact CG-CB 4.23Å; W688-R719 HydrophobicContact CH2-CB 4.02Å; W688-R719 HydrophobicContact CZ2-CB 3.98Å; W688-R719 HydrophobicContact CZ3-CB 3.83Å; W688-F745 CarbonylContact O-C 3.58Å; W688-F745 WeakPolarHBondContact O-CA 3.4Å; W688-F745 VanDerWaalsContact O-CD2 3.24Å; W688-F745 WeakPolarHBondContact O-CD2 3.19Å; W688-Y746 PolarHBondContact N-O 3.33Å; W688-Y746 PolarHBondContact O-N 2.71Å
689	V	97	Very high	91.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.9	160.9	63.8	0	0	0	0	108.7	F707 L710 V714 V718 R719 A720 G721 V743 R744 I773	V689-F707 HydrophobicContact CG2-CE2 4.19Å; V689-L710 HydrophobicContact CG1-CD2 4.39Å; V689-L710 HydrophobicContact CG2-CD2 4.09Å; V689-V714 HydrophobicContact CG1-CG2 4.29Å; V689-V718 HydrophobicContact CB-CG1 4.19Å; V689-V718 HydrophobicContact CG1-CG1 4.09Å; V689-R719 PolarHBondContact N-O 3.11Å; V689-A720 HydrophobicContact CG1-CB 4.06Å; V689-A720 WeakPolarHBondContact O-CA 3.13Å; V689-G721 PolarHBondContact O-N 3.08Å; V689-V743 HydrophobicContact CG2-CG1 3.73Å; V689-R744 CarbonylContact C-O 3.46Å; V689-R744 WeakPolarHBondContact CA-O 3.46Å; V689-I773 HydrophobicContact CB-CD1 3.89Å; V689-I773 HydrophobicContact CG1-CD1 4.32Å; V689-I773 HydrophobicContact CG2-CD1 3.83Å
690	L	97.3	Very high	91.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.7	-173.2	-57.9	-170.7	0	0	0	112.2	L672 F677 V681 W688 F692 G721 V723 V743 R744 Y746	L672-L690 HydrophobicContact CD1-CD1 4.13Å; L672-L690 HydrophobicContact CD1-CD2 3.5Å; F677-L690 HydrophobicContact CD2-CD1 3.73Å; F677-L690 HydrophobicContact CE2-CD1 3.4Å; V681-L690 HydrophobicContact CG1-CD1 4.1Å; V681-L690 HydrophobicContact CG2-CD1 4.21Å; V681-L690 HydrophobicContact CG2-CD2 4.37Å; W688-L690 HydrophobicContact CB-CD2 4.18Å; W688-L690 HydrophobicContact CB-CG 4.42Å; W688-L690 HydrophobicContact CD2-CD2 4.33Å; W688-L690 HydrophobicContact CE3-CD2 3.65Å; W688-L690 HydrophobicContact CZ3-CD2 4.37Å; L690-F692 HydrophobicContact CB-CD2 4.2Å; L690-F692 HydrophobicContact CB-CE2 3.71Å; L690-F692 HydrophobicContact CB-CZ 4.37Å; L690-F692 HydrophobicContact CD1-CE2 4.06Å; L690-F692 HydrophobicContact CD1-CZ 3.94Å; L690-G721 CarbonylContact C-O 3.6Å; L690-G721 VanDerWaalsContact CA-O 3.25Å; L690-G721 WeakPolarHBondContact CA-O 3.4Å; L690-V723 HydrophobicContact CD1-CG2 4.45Å; L690-V743 VanDerWaalsContact O-CA 3.3Å; L690-V743 WeakPolarHBondContact O-CA 3.4Å; L690-R744 PolarHBondContact N-O 2.82Å; L690-R744 PolarHBondContact O-N 3.15Å; L690-Y746 HydrophobicContact CB-CE2 4.34Å; L690-Y746 HydrophobicContact CD1-CD2 3.95Å; L690-Y746 HydrophobicContact CD1-CE2 3.59Å; L690-Y746 HydrophobicContact CG-CD2 4.03Å; L690-Y746 HydrophobicContact CG-CE2 3.98Å
691	D	97.3	Very high	91.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.4	167.1	175.4	28.6	0	0	0	109.9	F707 G721 K722 V723 P741	D691-F707 HydrophobicContact CB-CD1 3.71Å; D691-F707 HydrophobicContact CB-CD2 3.71Å; D691-F707 HydrophobicContact CB-CE1 3.65Å; D691-F707 HydrophobicContact CB-CE2 3.65Å; D691-F707 HydrophobicContact CB-CG 3.73Å; D691-F707 HydrophobicContact CB-CZ 3.62Å; D691-F707 VanDerWaalsContact N-CZ 3.34Å; D691-G721 PolarHBondContact N-O 3.47Å; D691-K722 HydrophobicContact CB-CG 4.3Å; D691-K722 CarbonylContact O-C 3.59Å; D691-K722 WeakPolarHBondContact O-CA 3.34Å; D691-K722 WeakPolarHBondContact OD2-CE 3.31Å; D691-K722 IonicContact OD2-NZ 3.72Å; D691-V723 PolarHBondContact O-N 3.25Å; D691-P741 WeakPolarHBondContact OD1-CB 3.42Å
692	F	97.4	Very high	91	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113	171.8	-68.3	-93	0	0	0	108.9	F677 L690 V723 A735 I737 P741 T742 R744 Y746	F677-F692 HydrophobicContact CE2-CZ 4.02Å; F677-F692 HydrophobicContact CZ-CZ 4.25Å; L690-F692 HydrophobicContact CB-CD2 4.2Å; L690-F692 HydrophobicContact CB-CE2 3.71Å; L690-F692 HydrophobicContact CB-CZ 4.37Å; L690-F692 HydrophobicContact CD1-CE2 4.06Å; L690-F692 HydrophobicContact CD1-CZ 3.94Å; F692-V723 HydrophobicContact CD1-CB 3.64Å; F692-V723 HydrophobicContact CD1-CG1 3.96Å; F692-V723 HydrophobicContact CD1-CG2 4.06Å; F692-V723 HydrophobicContact CE1-CB 3.82Å; F692-V723 HydrophobicContact CE1-CG1 4.01Å; F692-V723 HydrophobicContact CE1-CG2 3.75Å; F692-V723 HydrophobicContact CG-CB 4.39Å; F692-V723 HydrophobicContact CZ-CG2 4.22Å; F692-A735 HydrophobicContact CE1-CB 3.98Å; F692-A735 HydrophobicContact CZ-CB 3.98Å; F692-I737 HydrophobicContact CB-CD1 4.19Å; F692-I737 HydrophobicContact CB-CG1 3.98Å; F692-I737 HydrophobicContact CB-CG2 4.08Å; F692-I737 HydrophobicContact CD1-CD1 4.23Å; F692-I737 HydrophobicContact CD1-CG1 3.73Å; F692-I737 HydrophobicContact CD2-CD1 3.83Å; F692-I737 HydrophobicContact CD2-CG1 4.24Å; F692-I737 HydrophobicContact CE1-CG1 4.22Å; F692-I737 HydrophobicContact CE2-CD1 4.23Å; F692-I737 HydrophobicContact CG-CD1 3.82Å; F692-I737 HydrophobicContact CG-CG1 3.72Å; F692-P741 CarbonylContact O-C 3.55Å; F692-P741 WeakPolarHBondContact O-CA 3.44Å; F692-T742 PolarHBondContact N-O 3.43Å; F692-T742 PolarHBondContact O-N 2.97Å; F692-R744 HydrophobicContact CD2-CB 4.42Å; F692-R744 HydrophobicContact CD2-CG 4.02Å; F692-R744 HydrophobicContact CE2-CB 3.92Å; F692-R744 HydrophobicContact CE2-CG 3.74Å; F692-Y746 HydrophobicContact CE2-CE2 4.25Å; F692-Y746 HydrophobicContact CZ-CE2 4.49Å
693	Y	97.1	Very high	91.1	Very high	38 Å²	38	53 Å²	53	15%	0.149	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	169.6	-168.5	79.7	-75.1	0	0	0	112.5	P695 K722 V723 D724 C725	Y693-P695 HydrophobicContact CE2-CG 4.4Å; Y693-K722 HydrophobicContact CD1-CB 4.14Å; Y693-K722 HydrophobicContact CE1-CB 3.72Å; Y693-K722 HydrophobicContact CE1-CD 4.46Å; Y693-V723 VanDerWaalsContact CD1-O 3.32Å; Y693-V723 WeakPolarHBondContact CD1-O 3.34Å; Y693-V723 PolarHBondContact N-O 2.91Å; Y693-D724 HydrophobicContact CE1-CB 4.19Å; Y693-C725 WeakPolarHBondContact O-CB 3.42Å; Y693-C725 PolarHBondContact O-N 3.03Å
694	A	95	Very high	91.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	25%	0.245	C	C	.	.			trans	-127.2	138.5	168	0	0	0	0	0	110	W696 C697 Y740	A694-W696 VanDerWaalsContact C-N 3.3Å; A694-W696 HydrophobicContact CB-CD2 4.26Å; A694-W696 HydrophobicContact CB-CZ2 3.94Å; A694-W696 PolarHBondContact O-N 3.42Å; A694-C697 HydrophobicContact CB-CB 4.11Å; A694-C697 WeakPolarHBondContact O-CB 3.49Å; A694-C697 PolarHBondContact O-N 3.4Å; A694-C697 VanDerWaalsContact O-N 3.1Å; A694-Y740 HydrophobicContact CB-CD2 3.78Å; A694-Y740 HydrophobicContact CB-CE2 4.09Å; A694-Y740 HydrophobicContact CB-CG 4.32Å
695	P	90	Very high	91.3	Very high	54 Å²	54	49.9 Å²	49.9	35%	0.351	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.6	-177.8	-28	34.6	0	0	0	114.9	Y693 C697 Q701 D724	Y693-P695 HydrophobicContact CE2-CG 4.4Å; P695-C697 VanDerWaalsContact C-N 3.3Å; P695-C697 PolarHBondContact O-N 3.35Å; P695-Q701 PolarHBondContact O-NE2 3.34Å; P695-D724 WeakPolarHBondContact CD-OD1 3.17Å; P695-D724 WeakPolarHBondContact CG-OD2 3.46Å
696	W	88.8	Confident	91.3	Very high	172 Å²	172	40.3 Å²	40.3	65%	0.652	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.8	179.2	54.2	-102.4	0	0	0	114.1	A694 G698 Y740	A694-W696 VanDerWaalsContact C-N 3.3Å; A694-W696 HydrophobicContact CB-CD2 4.26Å; A694-W696 HydrophobicContact CB-CZ2 3.94Å; A694-W696 PolarHBondContact O-N 3.42Å; W696-G698 PolarHBondContact O-N 3.09Å; W696-Y740 HydrophobicContact CH2-CD2 4.34Å; W696-Y740 HydrophobicContact CH2-CE2 4.5Å; W696-Y740 HydrophobicContact CZ2-CD2 4.4Å; W696-Y740 HydrophobicContact CZ2-CE2 4.26Å
697	C	91.8	Very high	91.4	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.054	19%	0.191	C	C	.	.			trans	-81.8	113.2	-174.2	153.8	0	0	0	0	110.9	A694 P695 C700 Q701	A694-C697 HydrophobicContact CB-CB 4.11Å; A694-C697 WeakPolarHBondContact O-CB 3.49Å; A694-C697 PolarHBondContact O-N 3.4Å; A694-C697 VanDerWaalsContact O-N 3.1Å; P695-C697 VanDerWaalsContact C-N 3.3Å; P695-C697 PolarHBondContact O-N 3.35Å; C697-C700 HydrophobicContact CB-CB 3.68Å; C697-C700 WeakPolarHBondContact CB-SG 3.06Å; C697-C700 WeakPolarHBondContact O-CA 3.28Å; C697-C700 VanDerWaalsContact O-CB 3.24Å; C697-C700 WeakPolarHBondContact O-CB 3.15Å; C697-C700 PolarHBondContact O-N 2.9Å; C697-C700 WeakPolarHBondContact SG-CB 3.47Å; C697-C700 PolarHBondContact SG-N 3.49Å; C697-C700 CovalentContact SG-SG 2.06Å; C697-C700 PolarHBondContact SG-SG 3.33Å; C697-Q701 WeakPolarHBondContact O-CG 3.37Å; C697-Q701 PolarHBondContact O-N 3.28Å
698	G	86.9	Confident	91.3	Very high	31 Å²	31	35.6 Å²	35.6	32%	0.32	18%	0.184	S	C	.	.	H	α-helix	trans	-53.6	-51.2	178.1	0	0	0	0	0	113.9	W696 C700 Q701 H702	W696-G698 PolarHBondContact O-N 3.09Å; G698-C700 PolarHBondContact O-N 2.96Å; G698-Q701 PolarHBondContact O-N 3.28Å; G698-Q701 VanDerWaalsContact O-N 3.17Å; G698-H702 PolarHBondContact O-N 2.93Å; G698-H702 VanDerWaalsContact O-N 3.1Å; G698-H702 PolarHBondContact O-ND1 3.24Å
699	P	89.6	Confident	90.8	Very high	83 Å²	83	35.6 Å²	35.6	54%	0.539	19%	0.185	S	C	.	.	H	α-helix	trans	-57.8	-32.6	174.7	-27.7	36.1	0	0	0	113.8	H702 F703	P699-H702 PolarHBondContact O-N 2.93Å; P699-F703 WeakPolarHBondContact O-CB 3.38Å; P699-F703 PolarHBondContact O-N 2.99Å
700	C	91.1	Very high	90.5	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.02	19%	0.185	C	C	.	.	H	α-helix	trans	-70.2	-40.9	178.2	-54.1	0	0	0	0	111.5	C697 G698 H702 F703 A704 Y740 P741	C697-C700 HydrophobicContact CB-CB 3.68Å; C697-C700 WeakPolarHBondContact CB-SG 3.06Å; C697-C700 WeakPolarHBondContact O-CA 3.28Å; C697-C700 VanDerWaalsContact O-CB 3.24Å; C697-C700 WeakPolarHBondContact O-CB 3.15Å; C697-C700 PolarHBondContact O-N 2.9Å; C697-C700 WeakPolarHBondContact SG-CB 3.47Å; C697-C700 PolarHBondContact SG-N 3.49Å; C697-C700 CovalentContact SG-SG 2.06Å; C697-C700 PolarHBondContact SG-SG 3.33Å; G698-C700 PolarHBondContact O-N 2.96Å; C700-H702 VanDerWaalsContact C-N 3.29Å; C700-H702 PolarHBondContact O-N 3.1Å; C700-F703 PolarHBondContact O-N 3.22Å; C700-A704 WeakPolarHBondContact O-CB 3.5Å; C700-A704 PolarHBondContact O-N 3.06Å; C700-Y740 VanDerWaalsContact SG-C 3.55Å; C700-Y740 WeakPolarHBondContact SG-CB 3.47Å; C700-P741 HydrophobicContact CB-CB 4.39Å; C700-P741 VanDerWaalsContact SG-CD 3.58Å
701	Q	85.8	Confident	90.3	Very high	116 Å²	116	35.8 Å²	35.8	54%	0.542	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-38	174.5	-65.5	171.7	13	0	0	111.3	P695 C697 G698 P705	P695-Q701 PolarHBondContact O-NE2 3.34Å; C697-Q701 WeakPolarHBondContact O-CG 3.37Å; C697-Q701 PolarHBondContact O-N 3.28Å; G698-Q701 PolarHBondContact O-N 3.28Å; G698-Q701 VanDerWaalsContact O-N 3.17Å; Q701-P705 WeakPolarHBondContact O-CD 3.43Å
702	H	83.1	Confident	89.8	Confident	156 Å²	156	38.9 Å²	38.9	72%	0.722	20%	0.198	S	C	*	.	H	α-helix	trans	-69.5	-37.6	175.4	-73.5	74.8	0	0	0	112.7	G698 P699 C700 P705	G698-H702 PolarHBondContact O-N 2.93Å; G698-H702 VanDerWaalsContact O-N 3.1Å; G698-H702 PolarHBondContact O-ND1 3.24Å; P699-H702 PolarHBondContact O-N 2.93Å; C700-H702 VanDerWaalsContact C-N 3.29Å; C700-H702 PolarHBondContact O-N 3.1Å; H702-P705 WeakPolarHBondContact O-CD 3.26Å
703	F	89.4	Confident	89.3	Confident	10 Å²	10	41.2 Å²	41.2	4%	0.044	21%	0.209	C	C	.	.	H	α-helix	trans	-79.8	-23.5	-179.6	-177.6	-118.5	0	0	0	113.6	P699 C700 E706 F707 P741 V743 R764 I769	P699-F703 WeakPolarHBondContact O-CB 3.38Å; P699-F703 PolarHBondContact O-N 2.99Å; C700-F703 PolarHBondContact O-N 3.22Å; F703-E706 HydrophobicContact CD2-CB 3.88Å; F703-E706 HydrophobicContact CD2-CG 4.25Å; F703-E706 HydrophobicContact CE2-CB 4.09Å; F703-E706 HydrophobicContact CE2-CG 4.13Å; F703-E706 WeakPolarHBondContact O-CA 3.27Å; F703-E706 VanDerWaalsContact O-CB 3.29Å; F703-E706 WeakPolarHBondContact O-CB 3.43Å; F703-E706 PolarHBondContact O-N 2.76Å; F703-F707 HydrophobicContact CD1-CB 4.29Å; F703-F707 HydrophobicContact CE1-CB 3.86Å; F703-F707 AromaticContact CE1-CD2 3.86Å; F703-F707 HydrophobicContact CE1-CD2 3.86Å; F703-F707 HydrophobicContact CE1-CG 4.21Å; F703-F707 HydrophobicContact CZ-CB 4.07Å; F703-F707 AromaticContact CZ-CD2 3.98Å; F703-F707 HydrophobicContact CZ-CD2 3.98Å; F703-F707 PolarHBondContact O-N 3.43Å; F703-P741 HydrophobicContact CB-CG 3.84Å; F703-P741 HydrophobicContact CD1-CB 3.84Å; F703-P741 HydrophobicContact CD1-CG 3.8Å; F703-P741 HydrophobicContact CG-CG 4.05Å; F703-V743 HydrophobicContact CE1-CG2 3.46Å; F703-V743 VanDerWaalsContact CE1-CG2 3.46Å; F703-V743 HydrophobicContact CZ-CG2 3.53Å; F703-R764 HydrophobicContact CD2-CB 3.83Å; F703-R764 HydrophobicContact CD2-CG 4.34Å; F703-R764 HydrophobicContact CE2-CB 3.93Å; F703-R764 HydrophobicContact CE2-CG 4.48Å; F703-R764 WeakPolarHBondContact CE2-O 3.37Å; F703-I769 HydrophobicContact CE2-CD1 4.18Å; F703-I769 HydrophobicContact CZ-CD1 4.03Å
704	A	88.9	Confident	89.1	Confident	23 Å²	23	39.4 Å²	39.4	19%	0.19	20%	0.202	C	C	.	.	H	α-helix	trans	-55.6	-45	-175	0	0	0	0	0	114.4	C700 E706 F707 E708	C700-A704 WeakPolarHBondContact O-CB 3.5Å; C700-A704 PolarHBondContact O-N 3.06Å; A704-E706 VanDerWaalsContact C-N 3.32Å; A704-E706 PolarHBondContact O-N 2.83Å; A704-F707 PolarHBondContact O-N 3.14Å; A704-E708 WeakPolarHBondContact O-CG 3.4Å; A704-E708 PolarHBondContact O-N 3.28Å
705	P	85.8	Confident	88.8	Confident	22 Å²	22	47.1 Å²	47.1	14%	0.143	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-38.4	174.9	-21.2	33.2	0	0	0	112.7	L662 Q701 H702 E708 V709	L662-P705 HydrophobicContact CB-CB 4.35Å; Q701-P705 WeakPolarHBondContact O-CD 3.43Å; H702-P705 WeakPolarHBondContact O-CD 3.26Å; P705-E708 PolarHBondContact O-N 3.39Å; P705-V709 PolarHBondContact O-N 3.04Å; P705-V709 VanDerWaalsContact O-N 3.11Å
706	E	86.4	Confident	88.7	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-40.9	178.4	-164.1	66.2	-158.6	0	0	111.6	R658 F703 A704 E708 V709 L710 R764 A766	R658-E706 IonicContact CZ-OE1 3.48Å; R658-E706 IonicContact CZ-OE2 2.75Å; R658-E706 IonicContact NH1-OE1 3.75Å; R658-E706 IonicContact NH1-OE2 3.51Å; R658-E706 PolarHBondContact NH1-OE2 2.85Å; R658-E706 IonicContact NH2-OE1 2.81Å; R658-E706 PolarHBondContact NH2-OE1 3.17Å; R658-E706 IonicContact NH2-OE2 2.65Å; R658-E706 PolarHBondContact NH2-OE2 2.79Å; F703-E706 HydrophobicContact CD2-CB 3.88Å; F703-E706 HydrophobicContact CD2-CG 4.25Å; F703-E706 HydrophobicContact CE2-CB 4.09Å; F703-E706 HydrophobicContact CE2-CG 4.13Å; F703-E706 WeakPolarHBondContact O-CA 3.27Å; F703-E706 VanDerWaalsContact O-CB 3.29Å; F703-E706 WeakPolarHBondContact O-CB 3.43Å; F703-E706 PolarHBondContact O-N 2.76Å; A704-E706 VanDerWaalsContact C-N 3.32Å; A704-E706 PolarHBondContact O-N 2.83Å; E706-E708 VanDerWaalsContact C-N 3.3Å; E706-E708 PolarHBondContact O-N 3.34Å; E706-V709 WeakPolarHBondContact O-CB 3.37Å; E706-V709 PolarHBondContact O-N 3.31Å; E706-V709 VanDerWaalsContact O-N 3.14Å; E706-L710 PolarHBondContact O-N 3.16Å; E706-R764 WeakPolarHBondContact CG-O 3.27Å; E706-A766 HydrophobicContact CG-CB 4.12Å; E706-A766 VanDerWaalsContact OE1-CB 3.24Å; E706-A766 WeakPolarHBondContact OE1-CB 3.39Å; E706-A766 PolarHBondContact OE1-N 3.41Å
707	F	92.4	Very high	88.8	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-35	175.8	-171.9	-104.4	0	0	0	112.3	V689 D691 F703 A704 V709 L710 A711 A720 G721 K722	V689-F707 HydrophobicContact CG2-CE2 4.19Å; D691-F707 HydrophobicContact CB-CD1 3.71Å; D691-F707 HydrophobicContact CB-CD2 3.71Å; D691-F707 HydrophobicContact CB-CE1 3.65Å; D691-F707 HydrophobicContact CB-CE2 3.65Å; D691-F707 HydrophobicContact CB-CG 3.73Å; D691-F707 HydrophobicContact CB-CZ 3.62Å; D691-F707 VanDerWaalsContact N-CZ 3.34Å; F703-F707 HydrophobicContact CD1-CB 4.29Å; F703-F707 HydrophobicContact CE1-CB 3.86Å; F703-F707 AromaticContact CE1-CD2 3.86Å; F703-F707 HydrophobicContact CE1-CD2 3.86Å; F703-F707 HydrophobicContact CE1-CG 4.21Å; F703-F707 HydrophobicContact CZ-CB 4.07Å; F703-F707 AromaticContact CZ-CD2 3.98Å; F703-F707 HydrophobicContact CZ-CD2 3.98Å; F703-F707 PolarHBondContact O-N 3.43Å; A704-F707 PolarHBondContact O-N 3.14Å; F707-V709 VanDerWaalsContact C-N 3.34Å; F707-L710 HydrophobicContact CD2-CD2 4.01Å; F707-L710 HydrophobicContact CE2-CD2 4.07Å; F707-L710 WeakPolarHBondContact O-CB 3.46Å; F707-L710 PolarHBondContact O-N 2.87Å; F707-A711 WeakPolarHBondContact O-CB 3.04Å; F707-A711 PolarHBondContact O-N 2.05Å; F707-A720 HydrophobicContact CE1-CB 4.35Å; F707-A720 HydrophobicContact CZ-CB 4.35Å; F707-G721 WeakPolarHBondContact CE1-O 3.4Å; F707-G721 VanDerWaalsContact CZ-O 3.31Å; F707-G721 WeakPolarHBondContact CZ-O 3.28Å; F707-K722 HydrophobicContact CD1-CD 4.23Å; F707-K722 HydrophobicContact CD1-CG 3.97Å; F707-K722 HydrophobicContact CE1-CD 4.49Å; F707-K722 HydrophobicContact CE1-CG 3.74Å
708	E	90.3	Very high	88.9	Confident	13 Å²	13	44.9 Å²	44.9	6%	0.061	25%	0.25	C	C	.	.	H	α-helix	trans	-69.6	-31.4	173.6	-64.6	-65.5	164.6	0	0	112.3	R667 A668 S669 A704 P705 E706 R712	R667-E708 WeakPolarHBondContact CA-OE2 3.39Å; R667-E708 IonicContact NE-OE1 2.65Å; R667-E708 PolarHBondContact NE-OE1 2.84Å; R667-E708 IonicContact NH2-OE1 2.77Å; A668-E708 PolarHBondContact N-OE2 2.97Å; S669-E708 WeakPolarHBondContact CB-OE1 3.5Å; S669-E708 PolarHBondContact N-OE2 2.82Å; S669-E708 PolarHBondContact OG-OE1 2.98Å; A704-E708 WeakPolarHBondContact O-CG 3.4Å; A704-E708 PolarHBondContact O-N 3.28Å; P705-E708 PolarHBondContact O-N 3.39Å; E706-E708 VanDerWaalsContact C-N 3.3Å; E706-E708 PolarHBondContact O-N 3.34Å; E708-R712 WeakPolarHBondContact O-CG 3.24Å; E708-R712 PolarHBondContact O-N 2.88Å; E708-R712 PolarHBondContact O-NH1 3.38Å
709	V	85.5	Confident	89.3	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-52.4	169.6	174.4	0	0	0	0	110.2	L662 P705 E706 F707 A711 R712 M713 A766	L662-V709 HydrophobicContact CD1-CG2 3.57Å; L662-V709 HydrophobicContact CD2-CG2 3.81Å; L662-V709 HydrophobicContact CG-CG2 4.2Å; P705-V709 PolarHBondContact O-N 3.04Å; P705-V709 VanDerWaalsContact O-N 3.11Å; E706-V709 WeakPolarHBondContact O-CB 3.37Å; E706-V709 PolarHBondContact O-N 3.31Å; E706-V709 VanDerWaalsContact O-N 3.14Å; F707-V709 VanDerWaalsContact C-N 3.34Å; V709-A711 VanDerWaalsContact C-N 3.28Å; V709-A711 PolarHBondContact O-N 2.86Å; V709-R712 WeakPolarHBondContact O-CB 3.49Å; V709-R712 PolarHBondContact O-N 3.02Å; V709-M713 HydrophobicContact CG1-CG 4.3Å; V709-M713 HydrophobicContact CG1-SD 4Å; V709-M713 WeakPolarHBondContact O-CG 3.44Å; V709-M713 PolarHBondContact O-N 2.76Å; V709-A766 HydrophobicContact CB-CB 4.15Å; V709-A766 HydrophobicContact CG1-CB 3.89Å
710	L	91.1	Very high	89.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-52.9	-48.1	175.6	171.3	65.8	0	0	0	111.2	V689 E706 F707 R712 M713 V714 A766 I769 A770 I773	V689-L710 HydrophobicContact CG1-CD2 4.39Å; V689-L710 HydrophobicContact CG2-CD2 4.09Å; E706-L710 PolarHBondContact O-N 3.16Å; F707-L710 HydrophobicContact CD2-CD2 4.01Å; F707-L710 HydrophobicContact CE2-CD2 4.07Å; F707-L710 WeakPolarHBondContact O-CB 3.46Å; F707-L710 PolarHBondContact O-N 2.87Å; L710-R712 PolarHBondContact O-N 3.42Å; L710-M713 WeakPolarHBondContact O-CB 3.45Å; L710-M713 PolarHBondContact O-N 3Å; L710-V714 HydrophobicContact CD1-CG1 3.96Å; L710-V714 WeakPolarHBondContact O-CG2 3.38Å; L710-V714 PolarHBondContact O-N 2.89Å; L710-A766 HydrophobicContact CB-CB 3.97Å; L710-I769 HydrophobicContact CD1-CB 3.96Å; L710-I769 HydrophobicContact CD1-CG2 3.77Å; L710-I769 HydrophobicContact CD2-CB 3.97Å; L710-I769 HydrophobicContact CD2-CD1 4.06Å; L710-I769 HydrophobicContact CD2-CG2 3.38Å; L710-I769 HydrophobicContact CG-CG2 4.22Å; L710-A770 HydrophobicContact CD1-CB 3.96Å; L710-I773 HydrophobicContact CD1-CD1 4.43Å
711	A	91.9	Very high	89.9	Confident	3 Å²	3	44 Å²	44	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-56.1	-34.3	179.3	0	0	0	0	0	113.1	A668 F707 V709 K715 A720	A668-A711 HydrophobicContact CB-CB 3.78Å; F707-A711 WeakPolarHBondContact O-CB 3.04Å; F707-A711 PolarHBondContact O-N 2.05Å; V709-A711 VanDerWaalsContact C-N 3.28Å; V709-A711 PolarHBondContact O-N 2.86Å; A711-K715 PolarHBondContact O-N 3.4Å; A711-A720 HydrophobicContact CB-CB 3.28Å
712	R	87.2	Confident	90.5	Very high	65 Å²	65	39 Å²	39	25%	0.245	20%	0.204	C	C	.	.	H	α-helix	trans	-76.2	-41.2	173.9	-66.7	178.3	-152.1	103.6	7.2	112.1	P666 A668 E708 V709 L710 V714 K715	P666-R712 PolarHBondContact O-NE 3.12Å; P666-R712 PolarHBondContact O-NH2 3.08Å; A668-R712 HydrophobicContact CB-CG 3.6Å; E708-R712 WeakPolarHBondContact O-CG 3.24Å; E708-R712 PolarHBondContact O-N 2.88Å; E708-R712 PolarHBondContact O-NH1 3.38Å; V709-R712 WeakPolarHBondContact O-CB 3.49Å; V709-R712 PolarHBondContact O-N 3.02Å; L710-R712 PolarHBondContact O-N 3.42Å; R712-V714 VanDerWaalsContact C-N 3.27Å; R712-V714 PolarHBondContact O-N 3.41Å; R712-K715 VanDerWaalsContact O-CB 3.28Å; R712-K715 WeakPolarHBondContact O-CB 3.48Å; R712-K715 PolarHBondContact O-N 3.42Å
713	M	87.9	Confident	91.2	Very high	49 Å²	49	31.6 Å²	31.6	24%	0.241	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-34.3	-178.8	-70.1	178.3	69.5	0	0	113.3	V709 L710 A766 N767 A770	V709-M713 HydrophobicContact CG1-CG 4.3Å; V709-M713 HydrophobicContact CG1-SD 4Å; V709-M713 WeakPolarHBondContact O-CG 3.44Å; V709-M713 PolarHBondContact O-N 2.76Å; L710-M713 WeakPolarHBondContact O-CB 3.45Å; L710-M713 PolarHBondContact O-N 3Å; M713-A766 HydrophobicContact SD-CB 4.08Å; M713-N767 VanDerWaalsContact CE-OD1 3.24Å; M713-N767 WeakPolarHBondContact CE-OD1 3.33Å; M713-A770 HydrophobicContact CE-CB 3.79Å; M713-A770 HydrophobicContact SD-CB 4.48Å
714	V	91.3	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5.7	-179.7	-54.6	0	0	0	0	112.8	V689 L710 R712 G716 E717 V718 A770	V689-V714 HydrophobicContact CG1-CG2 4.29Å; L710-V714 HydrophobicContact CD1-CG1 3.96Å; L710-V714 WeakPolarHBondContact O-CG2 3.38Å; L710-V714 PolarHBondContact O-N 2.89Å; R712-V714 VanDerWaalsContact C-N 3.27Å; R712-V714 PolarHBondContact O-N 3.41Å; V714-G716 PolarHBondContact O-N 3.02Å; V714-E717 PolarHBondContact O-N 3.3Å; V714-V718 HydrophobicContact CB-CB 4.04Å; V714-V718 HydrophobicContact CB-CG2 4.48Å; V714-V718 HydrophobicContact CG2-CB 3.87Å; V714-V718 HydrophobicContact CG2-CG1 4.46Å; V714-V718 PolarHBondContact O-N 3.3Å; V714-V718 VanDerWaalsContact O-O 3.08Å; V714-A770 HydrophobicContact CG1-CB 4.16Å
715	K	89.8	Confident	91.9	Very high	163 Å²	163	31.9 Å²	31.9	71%	0.709	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	125	-176.5	-173.4	179.6	179.8	-178.2	0	110.4	A711 R712	A711-K715 PolarHBondContact O-N 3.4Å; R712-K715 VanDerWaalsContact O-CB 3.28Å; R712-K715 WeakPolarHBondContact O-CB 3.48Å; R712-K715 PolarHBondContact O-N 3.42Å
716	G	87.5	Confident	92.3	Very high	84 Å²	84	36.5 Å²	36.5	87%	0.866	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.4	-25.5	-177.1	0	0	0	0	0	113.3	V714	V714-G716 PolarHBondContact O-N 3.02Å
717	E	91.1	Very high	92.7	Very high	99 Å²	99	38.8 Å²	38.8	46%	0.463	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-42.6	173.2	-62.6	171.8	-139.6	0	0	111.3	V714 L777	V714-E717 PolarHBondContact O-N 3.3Å; E717-L777 HydrophobicContact CB-CD1 4.38Å
718	V	94	Very high	92.9	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	22%	0.221	C	C	.	.	S	Bend	trans	-138.8	141.2	-176.8	-176.5	0	0	0	0	109.6	H687 V689 V714 F745 I773 L777	H687-V718 HydrophobicContact CB-CB 4.36Å; H687-V718 HydrophobicContact CB-CG1 4.1Å; H687-V718 HydrophobicContact CB-CG2 3.97Å; H687-V718 WeakPolarHBondContact O-CG1 3.27Å; V689-V718 HydrophobicContact CB-CG1 4.19Å; V689-V718 HydrophobicContact CG1-CG1 4.09Å; V714-V718 HydrophobicContact CB-CB 4.04Å; V714-V718 HydrophobicContact CB-CG2 4.48Å; V714-V718 HydrophobicContact CG2-CB 3.87Å; V714-V718 HydrophobicContact CG2-CG1 4.46Å; V714-V718 PolarHBondContact O-N 3.3Å; V714-V718 VanDerWaalsContact O-O 3.08Å; V718-F745 HydrophobicContact CG1-CD2 4.43Å; V718-F745 HydrophobicContact CG1-CE2 4Å; V718-F745 HydrophobicContact CG2-CE2 4.12Å; V718-I773 HydrophobicContact CG2-CG2 3.65Å; V718-L777 HydrophobicContact CG2-CD1 3.74Å
719	R	95.9	Very high	93	Very high	88 Å²	88	45.8 Å²	45.8	33%	0.332	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.1	172.7	-65.8	-175.9	68.3	-171.1	-6.3	110.4	D686 H687 W688 V689	D686-R719 HydrophobicContact CB-CG 4.04Å; D686-R719 VanDerWaalsContact CG-CD 3.47Å; D686-R719 WeakPolarHBondContact OD2-CD 3.33Å; D686-R719 IonicContact OD2-CZ 3.64Å; D686-R719 IonicContact OD2-NE 3.35Å; D686-R719 IonicContact OD2-NH1 3.87Å; D686-R719 PolarHBondContact OD2-NH1 3.23Å; H687-R719 PolarHBondContact O-N 3.15Å; W688-R719 CarbonylContact C-O 3.46Å; W688-R719 WeakPolarHBondContact CA-O 3.4Å; W688-R719 HydrophobicContact CD2-CB 3.58Å; W688-R719 HydrophobicContact CE3-CB 3.6Å; W688-R719 HydrophobicContact CG-CB 4.23Å; W688-R719 HydrophobicContact CH2-CB 4.02Å; W688-R719 HydrophobicContact CZ2-CB 3.98Å; W688-R719 HydrophobicContact CZ3-CB 3.83Å; V689-R719 PolarHBondContact N-O 3.11Å
720	A	97.1	Very high	93.3	Very high	9 Å²	9	53 Å²	53	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.8	177.2	0	0	0	0	0	110.7	S669 V670 V689 F707 A711	S669-A720 WeakPolarHBondContact CA-O 3.45Å; V670-A720 PolarHBondContact N-O 3.37Å; V689-A720 HydrophobicContact CG1-CB 4.06Å; V689-A720 WeakPolarHBondContact O-CA 3.13Å; F707-A720 HydrophobicContact CE1-CB 4.35Å; F707-A720 HydrophobicContact CZ-CB 4.35Å; A711-A720 HydrophobicContact CB-CB 3.28Å
721	G	96.6	Very high	93.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.2	178.8	0	0	0	0	0	112.9	V670 V689 L690 D691 F707	V670-G721 CarbonylContact O-C 3.55Å; V670-G721 WeakPolarHBondContact O-CA 3.32Å; V689-G721 PolarHBondContact O-N 3.08Å; L690-G721 CarbonylContact C-O 3.6Å; L690-G721 VanDerWaalsContact CA-O 3.25Å; L690-G721 WeakPolarHBondContact CA-O 3.4Å; D691-G721 PolarHBondContact N-O 3.47Å; F707-G721 WeakPolarHBondContact CE1-O 3.4Å; F707-G721 VanDerWaalsContact CZ-O 3.31Å; F707-G721 WeakPolarHBondContact CZ-O 3.28Å
722	K	97.3	Very high	93.5	Very high	12 Å²	12	53.3 Å²	53.3	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.5	175.2	-55.4	-171	74.8	-179.2	0	110.4	S669 V670 L672 D691 Y693 F707	S669-K722 WeakPolarHBondContact OG-CD 3.41Å; S669-K722 WeakPolarHBondContact OG-CG 3.36Å; V670-K722 PolarHBondContact O-N 3.2Å; L672-K722 PolarHBondContact N-O 3.2Å; D691-K722 HydrophobicContact CB-CG 4.3Å; D691-K722 CarbonylContact O-C 3.59Å; D691-K722 WeakPolarHBondContact O-CA 3.34Å; D691-K722 WeakPolarHBondContact OD2-CE 3.31Å; D691-K722 IonicContact OD2-NZ 3.72Å; Y693-K722 HydrophobicContact CD1-CB 4.14Å; Y693-K722 HydrophobicContact CE1-CB 3.72Å; Y693-K722 HydrophobicContact CE1-CD 4.46Å; F707-K722 HydrophobicContact CD1-CD 4.23Å; F707-K722 HydrophobicContact CD1-CG 3.97Å; F707-K722 HydrophobicContact CE1-CD 4.49Å; F707-K722 HydrophobicContact CE1-CG 3.74Å
723	V	97.3	Very high	93.8	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.7	177	-176.1	0	0	0	0	108.4	L672 F677 L690 D691 F692 Y693 C725 T731	L672-V723 HydrophobicContact CB-CG2 4.11Å; L672-V723 HydrophobicContact CD1-CG2 4.27Å; F677-V723 HydrophobicContact CD2-CG2 4.42Å; L690-V723 HydrophobicContact CD1-CG2 4.45Å; D691-V723 PolarHBondContact O-N 3.25Å; F692-V723 HydrophobicContact CD1-CB 3.64Å; F692-V723 HydrophobicContact CD1-CG1 3.96Å; F692-V723 HydrophobicContact CD1-CG2 4.06Å; F692-V723 HydrophobicContact CE1-CB 3.82Å; F692-V723 HydrophobicContact CE1-CG1 4.01Å; F692-V723 HydrophobicContact CE1-CG2 3.75Å; F692-V723 HydrophobicContact CG-CB 4.39Å; F692-V723 HydrophobicContact CZ-CG2 4.22Å; Y693-V723 VanDerWaalsContact CD1-O 3.32Å; Y693-V723 WeakPolarHBondContact CD1-O 3.34Å; Y693-V723 PolarHBondContact N-O 2.91Å; V723-C725 PolarHBondContact O-N 3.25Å; V723-T731 HydrophobicContact CG1-CG2 4.24Å
724	D	97	Very high	93.9	Very high	35 Å²	35	57 Å²	57	19%	0.187	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107	173.3	-177.6	-18.2	0	0	0	109.5	Y693 P695 Q726 A727 H728	Y693-D724 HydrophobicContact CE1-CB 4.19Å; P695-D724 WeakPolarHBondContact CD-OD1 3.17Å; P695-D724 WeakPolarHBondContact CG-OD2 3.46Å; D724-Q726 VanDerWaalsContact C-N 3.31Å; D724-Q726 PolarHBondContact O-N 3.48Å; D724-Q726 WeakPolarHBondContact OD1-CA 3.03Å; D724-Q726 VanDerWaalsContact OD1-CB 3.29Å; D724-Q726 WeakPolarHBondContact OD1-CB 3.43Å; D724-Q726 PolarHBondContact OD1-N 3.08Å; D724-A727 HydrophobicContact CB-CB 4.04Å; D724-A727 PolarHBondContact O-N 2.86Å; D724-A727 PolarHBondContact OD1-N 3.06Å; D724-H728 WeakPolarHBondContact O-CB 3.12Å; D724-H728 PolarHBondContact O-N 2.99Å
725	C	96.6	Very high	93.7	Very high	3 Å²	3	57 Å²	57	2%	0.02	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.4	-178.9	-64.4	0	0	0	0	114.2	Y693 V723 H729 C732 Y740	Y693-C725 WeakPolarHBondContact O-CB 3.42Å; Y693-C725 PolarHBondContact O-N 3.03Å; V723-C725 PolarHBondContact O-N 3.25Å; C725-H729 VanDerWaalsContact O-CA 3.26Å; C725-H729 WeakPolarHBondContact O-CA 3.42Å; C725-H729 PolarHBondContact O-N 3.09Å; C725-C732 WeakPolarHBondContact CA-SG 3.4Å; C725-C732 HydrophobicContact CB-CB 3.71Å; C725-C732 WeakPolarHBondContact CB-SG 3.13Å; C725-C732 WeakPolarHBondContact SG-CB 3.07Å; C725-C732 CovalentContact SG-SG 2.03Å; C725-C732 PolarHBondContact SG-SG 3.4Å; C725-Y740 HydrophobicContact CB-CD1 4.37Å; C725-Y740 HydrophobicContact CB-CE1 3.53Å; C725-Y740 VanDerWaalsContact SG-CE1 3.58Å
726	Q	94.3	Very high	93.9	Very high	120 Å²	120	51 Å²	51	56%	0.561	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-44.1	170.1	-179	-176.2	-18.7	0	0	110	D724	D724-Q726 VanDerWaalsContact C-N 3.31Å; D724-Q726 PolarHBondContact O-N 3.48Å; D724-Q726 WeakPolarHBondContact OD1-CA 3.03Å; D724-Q726 VanDerWaalsContact OD1-CB 3.29Å; D724-Q726 WeakPolarHBondContact OD1-CB 3.43Å; D724-Q726 PolarHBondContact OD1-N 3.08Å
727	A	94.6	Very high	94.2	Very high	63 Å²	63	47.8 Å²	47.8	52%	0.521	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-33.3	176.7	0	0	0	0	0	112.6	D724	D724-A727 HydrophobicContact CB-CB 4.04Å; D724-A727 PolarHBondContact O-N 2.86Å; D724-A727 PolarHBondContact OD1-N 3.06Å
728	H	95.8	Very high	94.3	Very high	53 Å²	53	49.7 Å²	49.7	25%	0.245	27%	0.27	C	S	.	.			trans	-130.2	52.4	-170.2	-55.1	-42.3	0	0	0	112.8	P674 D724 Q730 T731 C732	P674-H728 HydrophobicContact CG-CB 4.19Å; D724-H728 WeakPolarHBondContact O-CB 3.12Å; D724-H728 PolarHBondContact O-N 2.99Å; H728-Q730 VanDerWaalsContact C-N 3.29Å; H728-Q730 PolarHBondContact O-N 2.97Å; H728-T731 WeakPolarHBondContact O-CB 3.3Å; H728-T731 PolarHBondContact O-N 2.98Å; H728-C732 PolarHBondContact O-N 2.89Å
729	H	93.2	Very high	94.2	Very high	108 Å²	108	52.1 Å²	52.1	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-50.3	-43.4	-177.4	179.5	-86.7	0	0	0	113.9	C725 T731 C732 Q733	C725-H729 VanDerWaalsContact O-CA 3.26Å; C725-H729 WeakPolarHBondContact O-CA 3.42Å; C725-H729 PolarHBondContact O-N 3.09Å; H729-T731 VanDerWaalsContact C-N 3.32Å; H729-T731 PolarHBondContact O-N 3.34Å; H729-C732 PolarHBondContact O-N 3.47Å; H729-Q733 WeakPolarHBondContact O-CB 3.35Å; H729-Q733 PolarHBondContact O-N 3.27Å
730	Q	92.6	Very high	94.2	Very high	154 Å²	154	51.1 Å²	51.1	72%	0.72	29%	0.287	S	S	*	.	H	α-helix	trans	-61.3	-39.2	-179.4	-67	179.3	-2.2	0	0	112.4	H728 Q733 S734	H728-Q730 VanDerWaalsContact C-N 3.29Å; H728-Q730 PolarHBondContact O-N 2.97Å; Q730-Q733 PolarHBondContact O-N 3.14Å; Q730-S734 WeakPolarHBondContact O-CB 3.47Å; Q730-S734 PolarHBondContact O-N 3.09Å; Q730-S734 PolarHBondContact O-OG 2.98Å
731	T	93.1	Very high	94.1	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.043	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-47.6	176.8	-55.3	0	0	0	0	110.3	F677 V723 H728 H729 S734 A735	F677-T731 HydrophobicContact CB-CG2 4.34Å; F677-T731 HydrophobicContact CD1-CG2 3.41Å; F677-T731 VanDerWaalsContact CD1-CG2 3.41Å; F677-T731 HydrophobicContact CE1-CG2 3.79Å; F677-T731 HydrophobicContact CG-CG2 3.91Å; V723-T731 HydrophobicContact CG1-CG2 4.24Å; H728-T731 WeakPolarHBondContact O-CB 3.3Å; H728-T731 PolarHBondContact O-N 2.98Å; H729-T731 VanDerWaalsContact C-N 3.32Å; H729-T731 PolarHBondContact O-N 3.34Å; T731-S734 PolarHBondContact O-N 2.9Å; T731-S734 PolarHBondContact O-OG 3.28Å; T731-A735 PolarHBondContact O-N 3.48Å
732	C	94.4	Very high	94.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-37.4	179.3	-61.9	0	0	0	0	113	C725 H728 H729 A735 G736 I737	C725-C732 WeakPolarHBondContact CA-SG 3.4Å; C725-C732 HydrophobicContact CB-CB 3.71Å; C725-C732 WeakPolarHBondContact CB-SG 3.13Å; C725-C732 WeakPolarHBondContact SG-CB 3.07Å; C725-C732 CovalentContact SG-SG 2.03Å; C725-C732 PolarHBondContact SG-SG 3.4Å; H728-C732 PolarHBondContact O-N 2.89Å; H729-C732 PolarHBondContact O-N 3.47Å; C732-A735 CarbonylContact O-C 3.57Å; C732-A735 PolarHBondContact O-N 3.22Å; C732-G736 PolarHBondContact O-N 2.04Å; C732-I737 HydrophobicContact CB-CB 4.18Å; C732-I737 HydrophobicContact CB-CG1 4.25Å; C732-I737 WeakPolarHBondContact O-CB 3.44Å; C732-I737 WeakPolarHBondContact O-CG1 3.35Å; C732-I737 PolarHBondContact O-N 3.44Å
733	Q	92.8	Very high	94.1	Very high	131 Å²	131	51 Å²	51	61%	0.612	29%	0.286	S	S	*	.	H	α-helix	trans	-62.5	-44.5	173.3	-172.3	-180	15.3	0	0	111	H729 Q730 A735 G736	H729-Q733 WeakPolarHBondContact O-CB 3.35Å; H729-Q733 PolarHBondContact O-N 3.27Å; Q730-Q733 PolarHBondContact O-N 3.14Å; Q733-A735 VanDerWaalsContact C-N 3.26Å; Q733-A735 PolarHBondContact O-N 2.96Å; Q733-G736 PolarHBondContact O-N 2.92Å
734	S	88.9	Confident	94	Very high	59 Å²	59	52.6 Å²	52.6	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-29.2	177.5	75.2	0	0	0	0	113.1	Q730 T731 G736 H756	Q730-S734 WeakPolarHBondContact O-CB 3.47Å; Q730-S734 PolarHBondContact O-N 3.09Å; Q730-S734 PolarHBondContact O-OG 2.98Å; T731-S734 PolarHBondContact O-N 2.9Å; T731-S734 PolarHBondContact O-OG 3.28Å; S734-G736 VanDerWaalsContact C-N 3.27Å; S734-G736 PolarHBondContact O-N 3.49Å; S734-H756 WeakPolarHBondContact O-CB 3.4Å
735	A	88.6	Confident	93.9	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.5	174.1	0	0	0	0	0	113.6	F692 T731 C732 Q733 I737 H756	F692-A735 HydrophobicContact CE1-CB 3.98Å; F692-A735 HydrophobicContact CZ-CB 3.98Å; T731-A735 PolarHBondContact O-N 3.48Å; C732-A735 CarbonylContact O-C 3.57Å; C732-A735 PolarHBondContact O-N 3.22Å; Q733-A735 VanDerWaalsContact C-N 3.26Å; Q733-A735 PolarHBondContact O-N 2.96Å; A735-I737 HydrophobicContact CB-CD1 4.34Å; A735-I737 HydrophobicContact CB-CG1 4.09Å; A735-I737 PolarHBondContact O-N 3.27Å; A735-H756 WeakPolarHBondContact CA-O 3.33Å
736	G	92.4	Very high	93.7	Very high	38 Å²	38	51 Å²	51	39%	0.392	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	37.7	178.2	0	0	0	0	0	113.4	C732 Q733 S734 R744	C732-G736 PolarHBondContact O-N 2.04Å; Q733-G736 PolarHBondContact O-N 2.92Å; S734-G736 VanDerWaalsContact C-N 3.27Å; S734-G736 PolarHBondContact O-N 3.49Å; G736-R744 PolarHBondContact O-NH2 2.97Å
737	I	94.6	Very high	93.5	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.082	26%	0.26	C	S	.	.			trans	-86.2	120.2	177.8	-52.5	-52.5	0	0	0	110.1	F692 C732 A735 A739 Y740 T742 R744	F692-I737 HydrophobicContact CB-CD1 4.19Å; F692-I737 HydrophobicContact CB-CG1 3.98Å; F692-I737 HydrophobicContact CB-CG2 4.08Å; F692-I737 HydrophobicContact CD1-CD1 4.23Å; F692-I737 HydrophobicContact CD1-CG1 3.73Å; F692-I737 HydrophobicContact CD2-CD1 3.83Å; F692-I737 HydrophobicContact CD2-CG1 4.24Å; F692-I737 HydrophobicContact CE1-CG1 4.22Å; F692-I737 HydrophobicContact CE2-CD1 4.23Å; F692-I737 HydrophobicContact CG-CD1 3.82Å; F692-I737 HydrophobicContact CG-CG1 3.72Å; C732-I737 HydrophobicContact CB-CB 4.18Å; C732-I737 HydrophobicContact CB-CG1 4.25Å; C732-I737 WeakPolarHBondContact O-CB 3.44Å; C732-I737 WeakPolarHBondContact O-CG1 3.35Å; C732-I737 PolarHBondContact O-N 3.44Å; A735-I737 HydrophobicContact CB-CD1 4.34Å; A735-I737 HydrophobicContact CB-CG1 4.09Å; A735-I737 PolarHBondContact O-N 3.27Å; I737-A739 VanDerWaalsContact CG2-O 3.3Å; I737-A739 WeakPolarHBondContact CG2-O 3.24Å; I737-Y740 HydrophobicContact CG2-CD1 3.88Å; I737-Y740 HydrophobicContact CG2-CE1 3.64Å; I737-T742 HydrophobicContact CD1-CG2 3.66Å; I737-R744 HydrophobicContact CD1-CG 4.17Å
738	T	92.4	Very high	92.9	Very high	140 Å²	140	45 Å²	45	86%	0.859	25%	0.247	S	C	*	.			trans	-113.2	-12	-177.2	54.7	0	0	0	0	114
739	A	93.5	Very high	92	Very high	55 Å²	55	47.2 Å²	47.2	46%	0.455	26%	0.26	S	S	.	.	S	Bend	trans	-147.8	164.4	179.3	0	0	0	0	0	110.5	I737 T742	I737-A739 VanDerWaalsContact CG2-O 3.3Å; I737-A739 WeakPolarHBondContact CG2-O 3.24Å; A739-T742 PolarHBondContact O-OG1 3.18Å
740	Y	94.2	Very high	90.6	Very high	68 Å²	68	45 Å²	45	27%	0.267	27%	0.267	S	S	.	.	S	Bend	trans	-131	144.6	179.4	-45.8	-55	0	0	0	111.5	A694 W696 C700 C725 I737	A694-Y740 HydrophobicContact CB-CD2 3.78Å; A694-Y740 HydrophobicContact CB-CE2 4.09Å; A694-Y740 HydrophobicContact CB-CG 4.32Å; W696-Y740 HydrophobicContact CH2-CD2 4.34Å; W696-Y740 HydrophobicContact CH2-CE2 4.5Å; W696-Y740 HydrophobicContact CZ2-CD2 4.4Å; W696-Y740 HydrophobicContact CZ2-CE2 4.26Å; C700-Y740 VanDerWaalsContact SG-C 3.55Å; C700-Y740 WeakPolarHBondContact SG-CB 3.47Å; C725-Y740 HydrophobicContact CB-CD1 4.37Å; C725-Y740 HydrophobicContact CB-CE1 3.53Å; C725-Y740 VanDerWaalsContact SG-CE1 3.58Å; I737-Y740 HydrophobicContact CG2-CD1 3.88Å; I737-Y740 HydrophobicContact CG2-CE1 3.64Å
741	P	96	Very high	88.9	Confident	10 Å²	10	44.5 Å²	44.5	7%	0.065	27%	0.274	C	S	.	.	S	Bend	cis	-73.1	148.7	-11.4	31.2	-33	0	0	0	110.7	D691 F692 C700 F703 R764	D691-P741 WeakPolarHBondContact OD1-CB 3.42Å; F692-P741 CarbonylContact O-C 3.55Å; F692-P741 WeakPolarHBondContact O-CA 3.44Å; C700-P741 HydrophobicContact CB-CB 4.39Å; C700-P741 VanDerWaalsContact SG-CD 3.58Å; F703-P741 HydrophobicContact CB-CG 3.84Å; F703-P741 HydrophobicContact CD1-CB 3.84Å; F703-P741 HydrophobicContact CD1-CG 3.8Å; F703-P741 HydrophobicContact CG-CG 4.05Å; P741-R764 PolarHBondContact O-NE 3.33Å; P741-R764 PolarHBondContact O-NH2 3Å
742	T	96.4	Very high	87	Confident	7 Å²	7	54 Å²	54	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127	172.2	-76.4	0	0	0	0	110.3	F692 I737 A739 R744	F692-T742 PolarHBondContact N-O 3.43Å; F692-T742 PolarHBondContact O-N 2.97Å; I737-T742 HydrophobicContact CD1-CG2 3.66Å; A739-T742 PolarHBondContact O-OG1 3.18Å; T742-R744 HydrophobicContact CG2-CG 4.23Å
743	V	97.3	Very high	85.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	178	-175.3	0	0	0	0	109.9	V689 L690 F703 I761	V689-V743 HydrophobicContact CG2-CG1 3.73Å; L690-V743 VanDerWaalsContact O-CA 3.3Å; L690-V743 WeakPolarHBondContact O-CA 3.4Å; F703-V743 HydrophobicContact CE1-CG2 3.46Å; F703-V743 VanDerWaalsContact CE1-CG2 3.46Å; F703-V743 HydrophobicContact CZ-CG2 3.53Å; V743-I761 HydrophobicContact CB-CB 4.25Å; V743-I761 HydrophobicContact CG1-CB 4.11Å; V743-I761 HydrophobicContact CG1-CD1 4.47Å; V743-I761 PolarHBondContact O-N 2.55Å
744	R	95.3	Very high	83.3	Confident	35 Å²	35	61.1 Å²	61.1	13%	0.132	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.6	175.3	-64.6	-68.4	-170.2	154.6	-3.5	111.2	V689 L690 F692 G736 I737 T742 Y746 S757 G758 E759	V689-R744 CarbonylContact C-O 3.46Å; V689-R744 WeakPolarHBondContact CA-O 3.46Å; L690-R744 PolarHBondContact N-O 2.82Å; L690-R744 PolarHBondContact O-N 3.15Å; F692-R744 HydrophobicContact CD2-CB 4.42Å; F692-R744 HydrophobicContact CD2-CG 4.02Å; F692-R744 HydrophobicContact CE2-CB 3.92Å; F692-R744 HydrophobicContact CE2-CG 3.74Å; G736-R744 PolarHBondContact O-NH2 2.97Å; I737-R744 HydrophobicContact CD1-CG 4.17Å; T742-R744 HydrophobicContact CG2-CG 4.23Å; R744-Y746 HydrophobicContact CB-CD2 4.18Å; R744-Y746 HydrophobicContact CB-CE2 3.46Å; R744-Y746 VanDerWaalsContact CB-CE2 3.46Å; R744-Y746 HydrophobicContact CG-CE2 4.38Å; R744-S757 WeakPolarHBondContact CD-O 3.44Å; R744-S757 PolarHBondContact NE-O 3.19Å; R744-S757 VanDerWaalsContact NE-O 3.16Å; R744-S757 PolarHBondContact NH1-O 3.05Å; R744-G758 PolarHBondContact NH1-O 3.41Å; R744-E759 CarbonylContact C-O 3.59Å; R744-E759 VanDerWaalsContact CA-O 3.23Å; R744-E759 WeakPolarHBondContact CA-O 3.42Å
745	F	94.8	Very high	82	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.009	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.3	169.9	178.8	-116.9	0	0	0	110.6	H687 W688 V718 P747 E759 I761 I773 R776 L777 L780	H687-F745 HydrophobicContact CB-CE2 4.13Å; H687-F745 HydrophobicContact CB-CZ 4.34Å; W688-F745 CarbonylContact O-C 3.58Å; W688-F745 WeakPolarHBondContact O-CA 3.4Å; W688-F745 VanDerWaalsContact O-CD2 3.24Å; W688-F745 WeakPolarHBondContact O-CD2 3.19Å; V718-F745 HydrophobicContact CG1-CD2 4.43Å; V718-F745 HydrophobicContact CG1-CE2 4Å; V718-F745 HydrophobicContact CG2-CE2 4.12Å; F745-P747 HydrophobicContact CD1-CB 4.41Å; F745-P747 HydrophobicContact CD1-CG 4.47Å; F745-P747 HydrophobicContact CE1-CB 3.73Å; F745-P747 HydrophobicContact CE1-CG 4.23Å; F745-P747 HydrophobicContact CZ-CB 4.14Å; F745-E759 HydrophobicContact CB-CB 4.45Å; F745-E759 PolarHBondContact N-O 2.73Å; F745-E759 PolarHBondContact O-N 2.92Å; F745-I761 HydrophobicContact CB-CD1 3.89Å; F745-I761 HydrophobicContact CB-CG1 4.45Å; F745-I773 HydrophobicContact CD2-CD1 4.34Å; F745-I773 HydrophobicContact CD2-CG1 4.05Å; F745-I773 HydrophobicContact CD2-CG2 4.33Å; F745-I773 HydrophobicContact CE2-CG1 4.41Å; F745-I773 HydrophobicContact CE2-CG2 3.86Å; F745-I773 HydrophobicContact CG-CG1 4.37Å; F745-I773 HydrophobicContact CZ-CG2 4.24Å; F745-R776 HydrophobicContact CD1-CB 4.44Å; F745-R776 HydrophobicContact CE1-CB 3.93Å; F745-L777 HydrophobicContact CZ-CD2 3.92Å; F745-L777 HydrophobicContact CZ-CG 4.32Å; F745-L780 HydrophobicContact CE1-CD1 4.46Å
746	Y	92.7	Very high	80.8	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	97.2	180	-68.1	-97.3	0	0	0	108.5	F677 V681 L682 H687 W688 L690 F692 R744 H756	F677-Y746 HydrophobicContact CZ-CE1 4.47Å; V681-Y746 HydrophobicContact CG1-CD1 4.05Å; V681-Y746 HydrophobicContact CG1-CD2 4.08Å; V681-Y746 HydrophobicContact CG1-CG 3.78Å; L682-Y746 HydrophobicContact CD2-CD1 4.32Å; L682-Y746 HydrophobicContact CD2-CE1 4.03Å; H687-Y746 WeakPolarHBondContact CA-O 3.32Å; W688-Y746 PolarHBondContact N-O 3.33Å; W688-Y746 PolarHBondContact O-N 2.71Å; L690-Y746 HydrophobicContact CB-CE2 4.34Å; L690-Y746 HydrophobicContact CD1-CD2 3.95Å; L690-Y746 HydrophobicContact CD1-CE2 3.59Å; L690-Y746 HydrophobicContact CG-CD2 4.03Å; L690-Y746 HydrophobicContact CG-CE2 3.98Å; F692-Y746 HydrophobicContact CE2-CE2 4.25Å; F692-Y746 HydrophobicContact CZ-CE2 4.49Å; R744-Y746 HydrophobicContact CB-CD2 4.18Å; R744-Y746 HydrophobicContact CB-CE2 3.46Å; R744-Y746 VanDerWaalsContact CB-CE2 3.46Å; R744-Y746 HydrophobicContact CG-CE2 4.38Å; Y746-H756 PolarHBondContact OH-O 3.13Å
747	P	89	Confident	79.9	Confident	12 Å²	12	70.8 Å²	70.8	8%	0.078	36%	0.363	C	S	.	.			trans	-79.6	134.7	179.9	28.4	-32.4	0	0	0	112.6	H687 F745 L749 Y754 L780	H687-P747 WeakPolarHBondContact ND1-CA 3.43Å; F745-P747 HydrophobicContact CD1-CB 4.41Å; F745-P747 HydrophobicContact CD1-CG 4.47Å; F745-P747 HydrophobicContact CE1-CB 3.73Å; F745-P747 HydrophobicContact CE1-CG 4.23Å; F745-P747 HydrophobicContact CZ-CB 4.14Å; P747-L749 PolarHBondContact O-N 2.95Å; P747-Y754 WeakPolarHBondContact O-CE1 3.07Å; P747-L780 HydrophobicContact CB-CD1 3.36Å; P747-L780 HydrophobicContact CG-CD1 4.32Å
748	N	83.6	Confident	79.4	Confident	46 Å²	46	70.9 Å²	70.9	25%	0.246	37%	0.368	C	S	.	.			trans	-69.8	118.1	168.6	-178.5	15.1	0	0	0	112	R685 H687 G750 Y754	R685-N748 VanDerWaalsContact C-ND2 3.28Å; R685-N748 PolarHBondContact O-ND2 3.35Å; H687-N748 PolarHBondContact CE1-N 3.46Å; H687-N748 VanDerWaalsContact CE1-N 3.29Å; H687-N748 PolarHBondContact ND1-N 3.35Å; N748-G750 PolarHBondContact OD1-N 2.73Å; N748-Y754 WeakPolarHBondContact CA-OH 3.32Å; N748-Y754 WeakPolarHBondContact CB-OH 3.03Å; N748-Y754 PolarHBondContact OD1-OH 2.83Å
749	L	75.7	Confident	79.3	Confident	100 Å²	100	67.8 Å²	67.8	52%	0.524	34%	0.344	S	S	.	.			trans	-107.5	15.2	-179.9	-62.2	177.2	0	0	0	113.5	P747 T751 L780	P747-L749 PolarHBondContact O-N 2.95Å; L749-T751 VanDerWaalsContact C-N 3.26Å; L749-T751 PolarHBondContact O-N 3.44Å; L749-L780 HydrophobicContact CD2-CD2 3.45Å; L749-L780 VanDerWaalsContact CD2-CD2 3.45Å
750	G	65.1	Low	79.2	Confident	62 Å²	62	69.2 Å²	69.2	64%	0.639	34%	0.341	S	S	*	.	S	Bend	trans	77.1	-38.3	169.1	0	0	0	0	0	116.7	N748	N748-G750 PolarHBondContact OD1-N 2.73Å
751	T	55.2	Low	79.2	Confident	142 Å²	142	66.3 Å²	66.3	87%	0.871	33%	0.33	S	S	*	.	S	Bend	trans	-150	1.4	-175	52.2	0	0	0	0	117.1	L749	L749-T751 VanDerWaalsContact C-N 3.26Å; L749-T751 PolarHBondContact O-N 3.44Å
752	R	54.3	Low	78.9	Confident	206 Å²	206	72.1 Å²	72.1	78%	0.777	36%	0.361	S	S	*	.	S	Bend	trans	-103.4	138.4	177.1	-77.3	-176.6	170.8	176	-1.9	112	Y754	R752-Y754 PolarHBondContact O-N 3.3Å
753	R	53.6	Low	78.7	Confident	249 Å²	249	73.1 Å²	73.1	94%	0.94	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-56.1	128.6	166.9	-77.6	-175.7	-177.6	177.9	1.2	108.2
754	Y	55.6	Low	78.4	Confident	35 Å²	35	77 Å²	77	14%	0.137	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.1	137.7	-179.3	-67.7	-108.5	0	0	0	110.2	L682 G684 P747 N748 R752 H756	L682-Y754 WeakPolarHBondContact O-CD2 3.43Å; G684-Y754 PolarHBondContact O-OH 2.98Å; G684-Y754 VanDerWaalsContact O-OH 3.09Å; P747-Y754 WeakPolarHBondContact O-CE1 3.07Å; N748-Y754 WeakPolarHBondContact CA-OH 3.32Å; N748-Y754 WeakPolarHBondContact CB-OH 3.03Å; N748-Y754 PolarHBondContact OD1-OH 2.83Å; R752-Y754 PolarHBondContact O-N 3.3Å; Y754-H756 PolarHBondContact O-N 3.47Å
755	E	60.8	Low	78.1	Confident	156 Å²	156	78.1 Å²	78.1	73%	0.729	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-60.2	131.2	163.1	-76.6	-178.5	173	0	0	108.4	S757 G758	E755-S757 PolarHBondContact O-N 2.83Å; E755-G758 PolarHBondContact O-N 3.22Å
756	H	64.3	Low	77.8	Confident	101 Å²	101	78 Å²	78	47%	0.468	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.1	-174.7	-78.5	43.1	0	0	0	113.1	S734 A735 Y746 Y754	S734-H756 WeakPolarHBondContact O-CB 3.4Å; A735-H756 WeakPolarHBondContact CA-O 3.33Å; Y746-H756 PolarHBondContact OH-O 3.13Å; Y754-H756 PolarHBondContact O-N 3.47Å
757	S	74.1	Confident	77.5	Confident	43 Å²	43	82 Å²	82	30%	0.301	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-27.5	-174.2	46	0	0	0	0	115	R744 E755	R744-S757 WeakPolarHBondContact CD-O 3.44Å; R744-S757 PolarHBondContact NE-O 3.19Å; R744-S757 VanDerWaalsContact NE-O 3.16Å; R744-S757 PolarHBondContact NH1-O 3.05Å; E755-S757 PolarHBondContact O-N 2.83Å
758	G	83.4	Confident	77.6	Confident	18 Å²	18	84.4 Å²	84.4	19%	0.186	43%	0.426	C	S	.	.			trans	57	174	-170.3	0	0	0	0	0	114.5	R744 E755	R744-G758 PolarHBondContact NH1-O 3.41Å; E755-G758 PolarHBondContact O-N 3.22Å
759	E	90.6	Very high	78.1	Confident	75 Å²	75	82.2 Å²	82.2	35%	0.35	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.3	176.3	-68.8	-174.9	-147.7	0	0	111	R744 F745 R776	R744-E759 CarbonylContact C-O 3.59Å; R744-E759 VanDerWaalsContact CA-O 3.23Å; R744-E759 WeakPolarHBondContact CA-O 3.42Å; F745-E759 HydrophobicContact CB-CB 4.45Å; F745-E759 PolarHBondContact N-O 2.73Å; F745-E759 PolarHBondContact O-N 2.92Å; E759-R776 WeakPolarHBondContact OE2-CD 3.23Å; E759-R776 IonicContact OE2-NE 3.16Å; E759-R776 PolarHBondContact OE2-NE 2.76Å
760	H	91.3	Very high	78.9	Confident	84 Å²	84	77.4 Å²	77.4	39%	0.389	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.9	179.7	-170.7	-105.1	0	0	0	112.4	N762	H760-N762 PolarHBondContact CE1-OD1 3.29Å; H760-N762 PolarHBondContact ND1-OD1 3.02Å
761	I	93.9	Very high	80.2	Confident	7 Å²	7	78.9 Å²	78.9	4%	0.036	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.3	172.6	-57.6	-177	0	0	0	109.5	V743 F745 R764 I769 I772 I773	V743-I761 HydrophobicContact CB-CB 4.25Å; V743-I761 HydrophobicContact CG1-CB 4.11Å; V743-I761 HydrophobicContact CG1-CD1 4.47Å; V743-I761 PolarHBondContact O-N 2.55Å; F745-I761 HydrophobicContact CB-CD1 3.89Å; F745-I761 HydrophobicContact CB-CG1 4.45Å; I761-R764 PolarHBondContact O-NH1 2.94Å; I761-I769 HydrophobicContact CD1-CG2 3.94Å; I761-I769 HydrophobicContact CG2-CB 4.46Å; I761-I769 HydrophobicContact CG2-CG1 3.91Å; I761-I769 HydrophobicContact CG2-CG2 4.17Å; I761-I772 HydrophobicContact CD1-CG2 4.27Å; I761-I772 HydrophobicContact CG1-CG2 4.49Å; I761-I772 HydrophobicContact CG2-CD1 4.15Å; I761-I773 HydrophobicContact CD1-CD1 4.3Å; I761-I773 HydrophobicContact CD1-CG1 3.94Å
762	N	90.1	Very high	82.1	Confident	133 Å²	133	74.8 Å²	74.8	71%	0.711	36%	0.355	S	S	*	.			trans	-76	-26.1	-176.9	-70.5	-16.6	0	0	0	113.3	H760 R764	H760-N762 PolarHBondContact CE1-OD1 3.29Å; H760-N762 PolarHBondContact ND1-OD1 3.02Å; N762-R764 PolarHBondContact O-NH1 3.46Å
763	S	91.6	Very high	84	Confident	28 Å²	28	65 Å²	65	20%	0.196	32%	0.318	C	S	.	.			trans	-71.1	152.1	-177.5	-172.9	0	0	0	0	112.1	D765 T768 I769	S763-D765 PolarHBondContact OG-N 3.38Å; S763-D765 VanDerWaalsContact OG-N 3.13Å; S763-T768 WeakPolarHBondContact OG-CB 3.28Å; S763-I769 WeakPolarHBondContact O-CD1 3.4Å
764	R	91.8	Very high	85.9	Confident	81 Å²	81	56.8 Å²	56.8	31%	0.306	29%	0.287	S	S	.	.			trans	-120.5	14.8	170.7	-61.4	-65.3	174.5	-90.5	-2.5	111.8	F703 E706 P741 I761 N762	F703-R764 HydrophobicContact CD2-CB 3.83Å; F703-R764 HydrophobicContact CD2-CG 4.34Å; F703-R764 HydrophobicContact CE2-CB 3.93Å; F703-R764 HydrophobicContact CE2-CG 4.48Å; F703-R764 WeakPolarHBondContact CE2-O 3.37Å; E706-R764 WeakPolarHBondContact CG-O 3.27Å; P741-R764 PolarHBondContact O-NE 3.33Å; P741-R764 PolarHBondContact O-NH2 3Å; I761-R764 PolarHBondContact O-NH1 2.94Å; N762-R764 PolarHBondContact O-NH1 3.46Å
765	D	88.9	Confident	87.6	Confident	58 Å²	58	59.5 Å²	59.5	31%	0.31	30%	0.301	S	S	.	.			trans	-102.6	126.8	174.9	170.6	-100.2	0	0	0	109.9	S763 N767 T768 I769	S763-D765 PolarHBondContact OG-N 3.38Å; S763-D765 VanDerWaalsContact OG-N 3.13Å; D765-N767 VanDerWaalsContact C-N 3.34Å; D765-N767 PolarHBondContact O-N 3.14Å; D765-N767 PolarHBondContact OD1-N 3.08Å; D765-T768 PolarHBondContact O-N 2.91Å; D765-T768 WeakPolarHBondContact OD1-CB 3.27Å; D765-T768 PolarHBondContact OD1-N 3.35Å; D765-T768 PolarHBondContact OD1-OG1 3.24Å; D765-I769 WeakPolarHBondContact O-CD1 3.19Å; D765-I769 WeakPolarHBondContact O-CG1 3.37Å; D765-I769 PolarHBondContact O-N 3.24Å
766	A	88.4	Confident	88.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-39.6	-172.2	0	0	0	0	0	113	E706 V709 L710 M713 I769 A770	E706-A766 HydrophobicContact CG-CB 4.12Å; E706-A766 VanDerWaalsContact OE1-CB 3.24Å; E706-A766 WeakPolarHBondContact OE1-CB 3.39Å; E706-A766 PolarHBondContact OE1-N 3.41Å; V709-A766 HydrophobicContact CB-CB 4.15Å; V709-A766 HydrophobicContact CG1-CB 3.89Å; L710-A766 HydrophobicContact CB-CB 3.97Å; M713-A766 HydrophobicContact SD-CB 4.08Å; A766-I769 PolarHBondContact O-N 3.18Å; A766-A770 WeakPolarHBondContact O-CB 3.26Å; A766-A770 PolarHBondContact O-N 3.26Å
767	N	86.4	Confident	90.1	Very high	85 Å²	85	52.7 Å²	52.7	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-50.2	179.6	-65.1	-45.1	0	0	0	110.8	M713 D765 I769 A770 D771	M713-N767 VanDerWaalsContact CE-OD1 3.24Å; M713-N767 WeakPolarHBondContact CE-OD1 3.33Å; D765-N767 VanDerWaalsContact C-N 3.34Å; D765-N767 PolarHBondContact O-N 3.14Å; D765-N767 PolarHBondContact OD1-N 3.08Å; N767-I769 VanDerWaalsContact C-N 3.3Å; N767-I769 PolarHBondContact O-N 3.22Å; N767-A770 PolarHBondContact O-N 2.99Å; N767-A770 VanDerWaalsContact O-N 3.17Å; N767-D771 PolarHBondContact O-N 3.23Å
768	T	91.3	Very high	90.8	Very high	63 Å²	63	57.1 Å²	57.1	39%	0.387	28%	0.282	S	S	.	.	H	α-helix	trans	-58.8	-42.7	177.9	-53.7	0	0	0	0	111.4	S763 D765 I772	S763-T768 WeakPolarHBondContact OG-CB 3.28Å; D765-T768 PolarHBondContact O-N 2.91Å; D765-T768 WeakPolarHBondContact OD1-CB 3.27Å; D765-T768 PolarHBondContact OD1-N 3.35Å; D765-T768 PolarHBondContact OD1-OG1 3.24Å; T768-I772 HydrophobicContact CG2-CD1 4.02Å; T768-I772 WeakPolarHBondContact O-CD1 3.46Å; T768-I772 WeakPolarHBondContact O-CG1 3.24Å; T768-I772 PolarHBondContact O-N 3.35Å
769	I	94.2	Very high	90.8	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-43.9	178.3	-61.5	162.1	0	0	0	110.6	F703 L710 I761 S763 D765 A766 N767 D771 I772 I773	F703-I769 HydrophobicContact CE2-CD1 4.18Å; F703-I769 HydrophobicContact CZ-CD1 4.03Å; L710-I769 HydrophobicContact CD1-CB 3.96Å; L710-I769 HydrophobicContact CD1-CG2 3.77Å; L710-I769 HydrophobicContact CD2-CB 3.97Å; L710-I769 HydrophobicContact CD2-CD1 4.06Å; L710-I769 HydrophobicContact CD2-CG2 3.38Å; L710-I769 HydrophobicContact CG-CG2 4.22Å; I761-I769 HydrophobicContact CD1-CG2 3.94Å; I761-I769 HydrophobicContact CG2-CB 4.46Å; I761-I769 HydrophobicContact CG2-CG1 3.91Å; I761-I769 HydrophobicContact CG2-CG2 4.17Å; S763-I769 WeakPolarHBondContact O-CD1 3.4Å; D765-I769 WeakPolarHBondContact O-CD1 3.19Å; D765-I769 WeakPolarHBondContact O-CG1 3.37Å; D765-I769 PolarHBondContact O-N 3.24Å; A766-I769 PolarHBondContact O-N 3.18Å; N767-I769 VanDerWaalsContact C-N 3.3Å; N767-I769 PolarHBondContact O-N 3.22Å; I769-D771 VanDerWaalsContact C-N 3.34Å; I769-D771 PolarHBondContact O-N 2.62Å; I769-I772 PolarHBondContact O-N 3.44Å; I769-I773 HydrophobicContact CG2-CD1 3.76Å; I769-I773 HydrophobicContact CG2-CG1 4.36Å; I769-I773 WeakPolarHBondContact O-CB 3.29Å; I769-I773 VanDerWaalsContact O-CG1 3.29Å; I769-I773 WeakPolarHBondContact O-CG1 3.41Å; I769-I773 PolarHBondContact O-N 3.02Å
770	A	92.4	Very high	90.3	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-43.4	177.8	0	0	0	0	0	111.6	L710 M713 V714 A766 N767 I773 R774	L710-A770 HydrophobicContact CD1-CB 3.96Å; M713-A770 HydrophobicContact CE-CB 3.79Å; M713-A770 HydrophobicContact SD-CB 4.48Å; V714-A770 HydrophobicContact CG1-CB 4.16Å; A766-A770 WeakPolarHBondContact O-CB 3.26Å; A766-A770 PolarHBondContact O-N 3.26Å; N767-A770 PolarHBondContact O-N 2.99Å; N767-A770 VanDerWaalsContact O-N 3.17Å; A770-I773 PolarHBondContact O-N 2.88Å; A770-R774 WeakPolarHBondContact O-CG 3.44Å; A770-R774 PolarHBondContact O-N 2.92Å
771	D	92.6	Very high	89.1	Confident	92 Å²	92	62.6 Å²	62.6	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-40.7	178.5	-67	-18.1	0	0	0	112.1	N767 I769 I773 R774 H775	N767-D771 PolarHBondContact O-N 3.23Å; I769-D771 VanDerWaalsContact C-N 3.34Å; I769-D771 PolarHBondContact O-N 2.62Å; D771-I773 VanDerWaalsContact C-N 3.31Å; D771-I773 PolarHBondContact O-N 3.07Å; D771-R774 PolarHBondContact O-N 3.19Å; D771-R774 IonicContact OD1-NH1 3.3Å; D771-R774 PolarHBondContact OD1-NH1 2.81Å; D771-R774 VanDerWaalsContact OD1-NH1 3.14Å; D771-H775 WeakPolarHBondContact O-CB 3.4Å; D771-H775 PolarHBondContact O-N 2.99Å
772	I	94	Very high	87.2	Confident	57 Å²	57	67.1 Å²	67.1	29%	0.292	34%	0.343	S	S	.	.	H	α-helix	trans	-58.1	-46.3	172.2	-70.9	165.8	0	0	0	110.3	I761 T768 I769 R776	I761-I772 HydrophobicContact CD1-CG2 4.27Å; I761-I772 HydrophobicContact CG1-CG2 4.49Å; I761-I772 HydrophobicContact CG2-CD1 4.15Å; T768-I772 HydrophobicContact CG2-CD1 4.02Å; T768-I772 WeakPolarHBondContact O-CD1 3.46Å; T768-I772 WeakPolarHBondContact O-CG1 3.24Å; T768-I772 PolarHBondContact O-N 3.35Å; I769-I772 PolarHBondContact O-N 3.44Å; I772-R776 VanDerWaalsContact O-CG 3.22Å; I772-R776 WeakPolarHBondContact O-CG 3.36Å; I772-R776 PolarHBondContact O-N 2.91Å
773	I	93.8	Very high	85.2	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-48.2	-179.5	-72.7	170.6	0	0	0	111	V689 L710 V718 F745 I761 I769 A770 D771 H775 R776 L777	V689-I773 HydrophobicContact CB-CD1 3.89Å; V689-I773 HydrophobicContact CG1-CD1 4.32Å; V689-I773 HydrophobicContact CG2-CD1 3.83Å; L710-I773 HydrophobicContact CD1-CD1 4.43Å; V718-I773 HydrophobicContact CG2-CG2 3.65Å; F745-I773 HydrophobicContact CD2-CD1 4.34Å; F745-I773 HydrophobicContact CD2-CG1 4.05Å; F745-I773 HydrophobicContact CD2-CG2 4.33Å; F745-I773 HydrophobicContact CE2-CG1 4.41Å; F745-I773 HydrophobicContact CE2-CG2 3.86Å; F745-I773 HydrophobicContact CG-CG1 4.37Å; F745-I773 HydrophobicContact CZ-CG2 4.24Å; I761-I773 HydrophobicContact CD1-CD1 4.3Å; I761-I773 HydrophobicContact CD1-CG1 3.94Å; I769-I773 HydrophobicContact CG2-CD1 3.76Å; I769-I773 HydrophobicContact CG2-CG1 4.36Å; I769-I773 WeakPolarHBondContact O-CB 3.29Å; I769-I773 VanDerWaalsContact O-CG1 3.29Å; I769-I773 WeakPolarHBondContact O-CG1 3.41Å; I769-I773 PolarHBondContact O-N 3.02Å; A770-I773 PolarHBondContact O-N 2.88Å; D771-I773 VanDerWaalsContact C-N 3.31Å; D771-I773 PolarHBondContact O-N 3.07Å; I773-H775 PolarHBondContact O-N 3.1Å; I773-R776 WeakPolarHBondContact O-CA 3.47Å; I773-R776 WeakPolarHBondContact O-CB 3.31Å; I773-R776 PolarHBondContact O-N 3.4Å; I773-L777 HydrophobicContact CG2-CD1 4.05Å; I773-L777 HydrophobicContact CG2-CG 4.36Å; I773-L777 WeakPolarHBondContact O-CG 3.44Å; I773-L777 PolarHBondContact O-N 2.79Å
774	R	93.5	Very high	82.7	Confident	77 Å²	77	79.1 Å²	79.1	29%	0.291	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-46.4	178.5	-72	177.7	-168.8	126.2	-1.2	111.6	A770 D771 R776 L777 E778	A770-R774 WeakPolarHBondContact O-CG 3.44Å; A770-R774 PolarHBondContact O-N 2.92Å; D771-R774 PolarHBondContact O-N 3.19Å; D771-R774 IonicContact OD1-NH1 3.3Å; D771-R774 PolarHBondContact OD1-NH1 2.81Å; D771-R774 VanDerWaalsContact OD1-NH1 3.14Å; R774-R776 PolarHBondContact O-N 3Å; R774-L777 PolarHBondContact O-N 3.2Å; R774-L777 VanDerWaalsContact O-N 3.1Å; R774-E778 WeakPolarHBondContact O-CG 3.4Å; R774-E778 PolarHBondContact O-N 3.25Å
775	H	91.4	Very high	80	Confident	91 Å²	91	83.8 Å²	83.8	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-32.6	175.2	-173.6	55.1	0	0	0	113	D771 I773 K779	D771-H775 WeakPolarHBondContact O-CB 3.4Å; D771-H775 PolarHBondContact O-N 2.99Å; I773-H775 PolarHBondContact O-N 3.1Å; H775-K779 WeakPolarHBondContact NE2-CE 3.25Å; H775-K779 PolarHBondContact NE2-NZ 2.94Å; H775-K779 WeakPolarHBondContact O-CG 3.37Å; H775-K779 PolarHBondContact O-N 3.14Å
776	R	89.9	Confident	77.5	Confident	88 Å²	88	89 Å²	89	33%	0.332	44%	0.438	S	S	.	.	H	α-helix	trans	-70.6	-45.7	173.4	-70.5	-72.7	-171.5	-84.4	-0	111.2	F745 E759 I772 I773 R774 E778 K779 L780	F745-R776 HydrophobicContact CD1-CB 4.44Å; F745-R776 HydrophobicContact CE1-CB 3.93Å; E759-R776 WeakPolarHBondContact OE2-CD 3.23Å; E759-R776 IonicContact OE2-NE 3.16Å; E759-R776 PolarHBondContact OE2-NE 2.76Å; I772-R776 VanDerWaalsContact O-CG 3.22Å; I772-R776 WeakPolarHBondContact O-CG 3.36Å; I772-R776 PolarHBondContact O-N 2.91Å; I773-R776 WeakPolarHBondContact O-CA 3.47Å; I773-R776 WeakPolarHBondContact O-CB 3.31Å; I773-R776 PolarHBondContact O-N 3.4Å; R774-R776 PolarHBondContact O-N 3Å; R776-E778 VanDerWaalsContact C-N 3.32Å; R776-E778 PolarHBondContact O-N 3.04Å; R776-K779 PolarHBondContact O-N 2.84Å; R776-L780 WeakPolarHBondContact O-CD1 3.42Å; R776-L780 VanDerWaalsContact O-CG 3.24Å; R776-L780 WeakPolarHBondContact O-CG 3.38Å; R776-L780 PolarHBondContact O-N 2.96Å
777	L	89.4	Confident	74.9	Confident	26 Å²	26	95.2 Å²	95.2	14%	0.136	48%	0.476	C	S	.	.	H	α-helix	trans	-60.1	-41	178.1	-68.7	173.7	0	0	0	112.2	H687 E717 V718 F745 I773 R774 K779 L780 S781	H687-L777 HydrophobicContact CB-CD2 4.32Å; E717-L777 HydrophobicContact CB-CD1 4.38Å; V718-L777 HydrophobicContact CG2-CD1 3.74Å; F745-L777 HydrophobicContact CZ-CD2 3.92Å; F745-L777 HydrophobicContact CZ-CG 4.32Å; I773-L777 HydrophobicContact CG2-CD1 4.05Å; I773-L777 HydrophobicContact CG2-CG 4.36Å; I773-L777 WeakPolarHBondContact O-CG 3.44Å; I773-L777 PolarHBondContact O-N 2.79Å; R774-L777 PolarHBondContact O-N 3.2Å; R774-L777 VanDerWaalsContact O-N 3.1Å; L777-K779 VanDerWaalsContact C-N 3.3Å; L777-K779 PolarHBondContact O-N 3.4Å; L777-L780 PolarHBondContact O-N 3.47Å; L777-S781 PolarHBondContact O-N 3.19Å; L777-S781 VanDerWaalsContact O-N 3.1Å
778	E	88.1	Confident	72.7	Confident	137 Å²	137	96.7 Å²	96.7	64%	0.64	49%	0.49	S	S	*	.	H	α-helix	trans	-57.9	-41.5	175.2	-74.7	175.7	-177.6	0	0	112.2	R774 R776 L780	R774-E778 WeakPolarHBondContact O-CG 3.4Å; R774-E778 PolarHBondContact O-N 3.25Å; R776-E778 VanDerWaalsContact C-N 3.32Å; R776-E778 PolarHBondContact O-N 3.04Å; E778-L780 VanDerWaalsContact C-N 3.26Å; E778-L780 PolarHBondContact O-N 3.01Å
779	K	83.9	Confident	70.2	Confident	141 Å²	141	103.7 Å²	103.7	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-70.5	-22.3	176.9	-69.8	178.5	-180	-173.3	0	113.6	H775 R776 L777	H775-K779 WeakPolarHBondContact NE2-CE 3.25Å; H775-K779 PolarHBondContact NE2-NZ 2.94Å; H775-K779 WeakPolarHBondContact O-CG 3.37Å; H775-K779 PolarHBondContact O-N 3.14Å; R776-K779 PolarHBondContact O-N 2.84Å; L777-K779 VanDerWaalsContact C-N 3.3Å; L777-K779 PolarHBondContact O-N 3.4Å
780	L	79.4	Confident	67.8	Low	55 Å²	55	110.6 Å²	110.6	29%	0.288	55%	0.552	S	S	.	*	H	α-helix	trans	-88.4	-23.6	-177.7	-69.6	167.2	0	0	0	112.9	F745 P747 L749 R776 L777 E778 P782	F745-L780 HydrophobicContact CE1-CD1 4.46Å; P747-L780 HydrophobicContact CB-CD1 3.36Å; P747-L780 HydrophobicContact CG-CD1 4.32Å; L749-L780 HydrophobicContact CD2-CD2 3.45Å; L749-L780 VanDerWaalsContact CD2-CD2 3.45Å; R776-L780 WeakPolarHBondContact O-CD1 3.42Å; R776-L780 VanDerWaalsContact O-CG 3.24Å; R776-L780 WeakPolarHBondContact O-CG 3.38Å; R776-L780 PolarHBondContact O-N 2.96Å; L777-L780 PolarHBondContact O-N 3.47Å; E778-L780 VanDerWaalsContact C-N 3.26Å; E778-L780 PolarHBondContact O-N 3.01Å; L780-P782 WeakPolarHBondContact O-CD 3.47Å
781	S	65.5	Low	65.3	Low	95 Å²	95	119.3 Å²	119.3	66%	0.664	59%	0.593	S	S	*	*	S	Bend	trans	-69.9	107.3	169.5	-79.3	0	0	0	0	110.4	L777	L777-S781 PolarHBondContact O-N 3.19Å; L777-S781 VanDerWaalsContact O-N 3.1Å
782	P	54.9	Low	62.6	Low	103 Å²	103	126.8 Å²	126.8	67%	0.669	63%	0.632	S	S	*	*			trans	-82.4	134.6	-176.2	-0.7	19.7	0	0	0	111.4	L780 L784	L780-P782 WeakPolarHBondContact O-CD 3.47Å; P782-L784 PolarHBondContact O-N 3.3Å
783	R	46.8	Very low	61	Low	251 Å²	251	130.3 Å²	130.3	95%	0.947	65%	0.649	S	S	*	*			trans	37.5	73	132.6	-62.9	179.2	174.8	172.5	-2.6	116.4
784	L	39	Very low	59.3	Low	162 Å²	162	137.1 Å²	137.1	85%	0.848	68%	0.683	S	S	*	*			trans	-111.8	7.7	166.9	-101	161.9	0	0	0	114.6	P782	P782-L784 PolarHBondContact O-N 3.3Å
785	H	36.6	Very low	57.4	Low	178 Å²	178	140.4 Å²	140.4	82%	0.824	70%	0.704	S	S	*	*			trans	-127.4	89.2	170.9	-75.7	-13.9	0	0	0	110.5
786	N	36.9	Very low	55.4	Low	167 Å²	167	143.4 Å²	143.4	89%	0.893	72%	0.721	S	S	*	*			trans	-152.2	77.3	151.9	-101.5	-4.4	0	0	0	107.6
787	T	33.2	Very low	53.2	Low	132 Å²	132	146.8 Å²	146.8	81%	0.81	75%	0.745	S	S	*	*			trans	-108.2	123.3	146.8	24.9	0	0	0	0	106.3	K789	T787-K789 PolarHBondContact O-N 3.39Å
788	P	39.3	Very low	50.8	Low	115 Å²	115	154.9 Å²	154.9	75%	0.747	79%	0.786	S	S	*	*			trans	-61.4	133.1	170.6	-13.9	27.7	0	0	0	108.5	D790	P788-D790 PolarHBondContact O-N 3.47Å
789	K	39.3	Very low	48.2	Very low	210 Å²	210	156.1 Å²	156.1	91%	0.913	80%	0.797	S	S	*	*			trans	-66.7	98.9	161.8	-83.9	-177.5	170.9	-175.5	0	107.5	T787	T787-K789 PolarHBondContact O-N 3.39Å
790	D	43.9	Very low	45.4	Very low	146 Å²	146	157.3 Å²	157.3	78%	0.781	81%	0.811	S	S	*	*			trans	-111.7	130.6	152.4	-87.1	-31.4	0	0	0	108.5	P788	P788-D790 PolarHBondContact O-N 3.47Å
791	E	39.9	Very low	42.6	Very low	182 Å²	182	165.8 Å²	165.8	85%	0.85	85%	0.854	S	S	*	*			trans	79.5	124	162.1	-60.5	-175.1	165.5	0	0	121.1
792	L	35.7	Very low	40.5	Very low	249 Å²	249	172.3 Å²	172.3	100%	1.304	87%	0.871	S	S	*	*			trans	84.1	0	169.3	-72.8	135.7	0	0	0	118.8

Retrieved 792 of 792 residues in 337.6 ms (Link to these results)

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