A0A087XPH3_POEFO Loading...

Prolyl 4-hydroxylase subunit alpha-3

Catalyzes the post-translational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins.

AlphaFold DB , UniProt , Accession A0A087XPH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 543 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	33.8	Very low	32.5	Very low	234 Å²	234	139.7 Å²	139.7	100%	1.153	84%	0.835	S	S	*	*				0	77.3	0	-79.8	173.2	152.6	0	0	106.1
2	E	38.9	Very low	32.4	Very low	198 Å²	198	136.8 Å²	136.8	93%	0.925	82%	0.824	S	S	*	*				75.9	103.7	100.8	-82	-169.4	163.7	0	0	112
3	A	27.8	Very low	32.3	Very low	95 Å²	95	140.1 Å²	140.1	79%	0.785	82%	0.822	S	S	*	*			trans	-142	132.3	152.3	0	0	0	0	0	107.5
4	P	39.3	Very low	32.1	Very low	122 Å²	122	141.9 Å²	141.9	79%	0.792	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-85.2	168.6	-165.4	35.8	-36.7	0	0	0	113
5	P	35.2	Very low	32.1	Very low	124 Å²	124	140.3 Å²	140.3	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-74.9	136.1	177.1	30.6	-32.1	0	0	0	111	A7	P5-A7 PolarHBondContact O-N 3.17Å
6	A	30.4	Very low	32	Very low	96 Å²	96	136.5 Å²	136.5	79%	0.793	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.5	120	174.2	0	0	0	0	0	110.5	F8	A6-F8 PolarHBondContact O-N 3.37Å
7	A	30.5	Very low	31.9	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.6	116.1	169.2	0	0	0	0	0	109.5	P5 C9	P5-A7 PolarHBondContact O-N 3.17Å; A7-C9 PolarHBondContact O-N 2.99Å; A7-C9 VanDerWaalsContact O-N 3.07Å
8	F	29.8	Very low	31.7	Very low	205 Å²	205	134.4 Å²	134.4	90%	0.899	80%	0.801	S	S	*	*			trans	-70.5	98.4	166.8	-110.6	-95.2	0	0	0	108.1	A6 L10	A6-F8 PolarHBondContact O-N 3.37Å; F8-L10 PolarHBondContact O-N 3.04Å
9	C	28.8	Very low	31.6	Very low	113 Å²	113	131.8 Å²	131.8	76%	0.764	80%	0.796	S	S	*	*			trans	-73.3	114.1	171	-136.8	0	0	0	0	108.1	A7 C11	A7-C9 PolarHBondContact O-N 2.99Å; A7-C9 VanDerWaalsContact O-N 3.07Å; C9-C11 VanDerWaalsContact C-N 3.28Å; C9-C11 PolarHBondContact O-N 2.81Å
10	L	33.6	Very low	31.5	Very low	158 Å²	158	135.1 Å²	135.1	83%	0.827	80%	0.799	S	S	*	*			trans	-70.9	83.6	173.7	-138.4	97.8	0	0	0	108.4	F8 C12	F8-L10 PolarHBondContact O-N 3.04Å; L10-C12 PolarHBondContact O-N 3.2Å
11	C	29.7	Very low	31.9	Very low	94 Å²	94	135 Å²	135	64%	0.635	79%	0.791	S	S	*	*			trans	-73.5	95.2	166.5	-83.8	0	0	0	0	108.4	C9 F13	C9-C11 VanDerWaalsContact C-N 3.28Å; C9-C11 PolarHBondContact O-N 2.81Å; C11-F13 VanDerWaalsContact C-N 3.27Å; C11-F13 HydrophobicContact CB-CD2 4.38Å; C11-F13 HydrophobicContact CB-CE2 4.3Å; C11-F13 PolarHBondContact O-N 2.99Å
12	C	31.5	Very low	32.1	Very low	104 Å²	104	127.4 Å²	127.4	70%	0.703	77%	0.765	S	S	*	*			trans	-59.5	91.1	160.8	-71.9	0	0	0	0	108.9	L10 L14	L10-C12 PolarHBondContact O-N 3.2Å; C12-L14 VanDerWaalsContact C-N 3.26Å; C12-L14 PolarHBondContact O-N 3.27Å
13	F	30.8	Very low	32.8	Very low	180 Å²	180	122.1 Å²	122.1	79%	0.789	74%	0.741	S	S	*	*			trans	-69.5	91.8	159.6	-82.4	-81.1	0	0	0	107.6	C11 V15	C11-F13 VanDerWaalsContact C-N 3.27Å; C11-F13 HydrophobicContact CB-CD2 4.38Å; C11-F13 HydrophobicContact CB-CE2 4.3Å; C11-F13 PolarHBondContact O-N 2.99Å; F13-V15 HydrophobicContact CB-CG2 4.3Å; F13-V15 PolarHBondContact O-N 3.39Å
14	L	30.1	Very low	34.4	Very low	165 Å²	165	118.9 Å²	118.9	86%	0.864	72%	0.716	S	S	*	*			trans	-61.6	86.1	151.6	-94.9	154	0	0	0	106.4	C12 A16	C12-L14 VanDerWaalsContact C-N 3.26Å; C12-L14 PolarHBondContact O-N 3.27Å; L14-A16 PolarHBondContact O-N 2.91Å
15	V	31.4	Very low	36.1	Very low	119 Å²	119	115.2 Å²	115.2	72%	0.721	69%	0.689	S	S	*	*			trans	-67.9	88.6	160	-179.2	0	0	0	0	104.6	F13 A17	F13-V15 HydrophobicContact CB-CG2 4.3Å; F13-V15 PolarHBondContact O-N 3.39Å; V15-A17 PolarHBondContact O-N 3.24Å
16	A	30.8	Very low	38.3	Very low	79 Å²	79	111 Å²	111	65%	0.653	66%	0.658	S	S	*	*			trans	-56.9	100.6	155.7	0	0	0	0	0	104.8	L14 L18	L14-A16 PolarHBondContact O-N 2.91Å; A16-L18 PolarHBondContact O-N 3.07Å
17	A	30.4	Very low	40.7	Very low	88 Å²	88	107.1 Å²	107.1	73%	0.727	62%	0.623	S	S	*	*			trans	-63	86	167.7	0	0	0	0	0	106.1	V15 A19	V15-A17 PolarHBondContact O-N 3.24Å; A17-A19 PolarHBondContact O-N 2.96Å
18	L	28.5	Very low	43.1	Very low	148 Å²	148	102.4 Å²	102.4	78%	0.775	59%	0.585	S	S	*	*			trans	-63.2	87.5	155.3	-75.2	167	0	0	0	104.4	A16 F20	A16-L18 PolarHBondContact O-N 3.07Å; L18-F20 PolarHBondContact O-N 2.95Å
19	A	30.3	Very low	45.7	Very low	85 Å²	85	92.7 Å²	92.7	70%	0.702	54%	0.542	S	S	*	.			trans	-59.1	95.4	162.3	0	0	0	0	0	105.1	A17 Q21	A17-A19 PolarHBondContact O-N 2.96Å; A19-Q21 PolarHBondContact O-N 2.91Å
20	F	29.4	Very low	48.4	Very low	197 Å²	197	89 Å²	89	86%	0.864	52%	0.515	S	S	*	.			trans	-58.2	95.7	156.1	-85.4	-88.4	0	0	0	105.1	L18 A22	L18-F20 PolarHBondContact O-N 2.95Å; F20-A22 VanDerWaalsContact C-N 3.25Å; F20-A22 PolarHBondContact O-N 3.45Å
21	Q	39.1	Very low	50.9	Low	133 Å²	133	82.8 Å²	82.8	62%	0.621	48%	0.481	S	S	*	.			trans	-60.6	101.1	162.4	-79.9	178.1	-41	0	0	104.5	A19 E23	A19-Q21 PolarHBondContact O-N 2.91Å; Q21-E23 HydrophobicContact CB-CG 4.26Å; Q21-E23 PolarHBondContact O-N 2.87Å
22	A	37.8	Very low	53.4	Low	74 Å²	74	80 Å²	80	61%	0.612	46%	0.46	S	S	*	.			trans	-65.7	90.3	163.3	0	0	0	0	0	105.6	F20 G24	F20-A22 VanDerWaalsContact C-N 3.25Å; F20-A22 PolarHBondContact O-N 3.45Å; A22-G24 VanDerWaalsContact C-N 3.31Å; A22-G24 PolarHBondContact O-N 2.78Å
23	E	54.2	Low	56	Low	88 Å²	88	77 Å²	77	41%	0.411	44%	0.438	S	S	.	.			trans	-68.1	91.7	178.6	-73.7	175.2	156.2	0	0	108.1	Q21 H126	Q21-E23 HydrophobicContact CB-CG 4.26Å; Q21-E23 PolarHBondContact O-N 2.87Å; E23-H126 IonicContact OE1-CD2 3.18Å
24	G	60.6	Low	58.6	Low	26 Å²	26	74.2 Å²	74.2	27%	0.268	42%	0.423	S	S	.	.			trans	-66.1	160.6	165.5	0	0	0	0	0	110.4	A22 M26 K390	A22-G24 VanDerWaalsContact C-N 3.31Å; A22-G24 PolarHBondContact O-N 2.78Å; G24-M26 PolarHBondContact O-N 3.29Å; G24-K390 PolarHBondContact O-NZ 3.47Å
25	E	74.7	Confident	61.2	Low	46 Å²	46	70.5 Å²	70.5	22%	0.215	40%	0.401	C	S	.	.			trans	-41.2	120.7	-179.6	-56	167.6	118.3	0	0	113.1	Y27 T28 E131 D132 R372 K390	E25-Y27 HydrophobicContact CB-CD1 3.67Å; E25-Y27 HydrophobicContact CB-CE1 3.4Å; E25-Y27 VanDerWaalsContact CD-CE1 3.44Å; E25-Y27 HydrophobicContact CG-CE1 3.83Å; E25-Y27 PolarHBondContact O-N 2.82Å; E25-Y27 WeakPolarHBondContact OE1-CE1 3.2Å; E25-Y27 PolarHBondContact OE1-OH 3.21Å; E25-Y27 VanDerWaalsContact OE1-OH 3.06Å; E25-Y27 PolarHBondContact OE2-OH 3.28Å; E25-T28 HydrophobicContact CB-CG2 3.85Å; E25-T28 PolarHBondContact O-N 3.01Å; E25-T28 PolarHBondContact O-OG1 3.25Å; E25-E131 HydrophobicContact CG-CG 4.32Å; E25-D132 VanDerWaalsContact CA-OD1 3.22Å; E25-D132 WeakPolarHBondContact CA-OD1 3.29Å; E25-R372 IonicContact OE2-CZ 3.63Å; E25-R372 IonicContact OE2-NE 3.97Å; E25-R372 PolarHBondContact OE2-NE 2.94Å; E25-R372 IonicContact OE2-NH2 3.83Å; E25-R372 PolarHBondContact OE2-NH2 3.12Å; E25-K390 WeakPolarHBondContact O-CE 3.26Å; E25-K390 PolarHBondContact O-NZ 3.27Å
26	M	81.4	Confident	63.9	Low	34 Å²	34	65.8 Å²	65.8	17%	0.167	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-60.5	-40.7	-177.7	-178.9	168.9	116.6	0	0	112.9	G24 T28 S29 N32 V33 A36 P128 D132	G24-M26 PolarHBondContact O-N 3.29Å; M26-T28 PolarHBondContact O-N 2.86Å; M26-S29 PolarHBondContact O-N 3.23Å; M26-S29 VanDerWaalsContact O-N 3.14Å; M26-S29 VanDerWaalsContact O-O 3.09Å; M26-N32 HydrophobicContact CB-CB 4.46Å; M26-N32 HydrophobicContact CG-CB 3.85Å; M26-V33 HydrophobicContact CE-CG2 4.27Å; M26-V33 HydrophobicContact CG-CG2 4.16Å; M26-A36 HydrophobicContact CE-CB 3.45Å; M26-A36 VanDerWaalsContact CE-CB 3.45Å; M26-A36 HydrophobicContact SD-CB 3.66Å; M26-P128 HydrophobicContact CE-CB 4.04Å; M26-P128 HydrophobicContact CE-CG 4.23Å; M26-P128 HydrophobicContact SD-CB 4.24Å; M26-D132 PolarHBondContact N-OD1 2.85Å
27	Y	81.9	Confident	66.7	Low	15 Å²	15	65.7 Å²	65.7	6%	0.059	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-60.5	-17.2	-176.7	75.2	-84.5	0	0	0	113.7	E25 S29 D132 R372 I388 G431 I432	E25-Y27 HydrophobicContact CB-CD1 3.67Å; E25-Y27 HydrophobicContact CB-CE1 3.4Å; E25-Y27 VanDerWaalsContact CD-CE1 3.44Å; E25-Y27 HydrophobicContact CG-CE1 3.83Å; E25-Y27 PolarHBondContact O-N 2.82Å; E25-Y27 WeakPolarHBondContact OE1-CE1 3.2Å; E25-Y27 PolarHBondContact OE1-OH 3.21Å; E25-Y27 VanDerWaalsContact OE1-OH 3.06Å; E25-Y27 PolarHBondContact OE2-OH 3.28Å; Y27-S29 VanDerWaalsContact C-N 3.27Å; Y27-S29 PolarHBondContact O-N 3Å; Y27-D132 HydrophobicContact CD1-CB 4.34Å; Y27-D132 WeakPolarHBondContact CD1-OD1 3.29Å; Y27-D132 PolarHBondContact N-OD1 2.66Å; Y27-R372 PolarHBondContact OH-NH2 3.37Å; Y27-I388 HydrophobicContact CD2-CG2 4.23Å; Y27-I388 HydrophobicContact CE2-CD1 4.33Å; Y27-I388 HydrophobicContact CE2-CG2 4.03Å; Y27-G431 CarbonylContact O-C 3.5Å; Y27-G431 WeakPolarHBondContact O-CA 3.29Å; Y27-I432 PolarHBondContact O-N 2.97Å
28	T	79.8	Confident	69.5	Low	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-83.5	-2.5	-175.6	69	0	0	0	0	113.2	E25 M26 I388 S389 K390 G431	E25-T28 HydrophobicContact CB-CG2 3.85Å; E25-T28 PolarHBondContact O-N 3.01Å; E25-T28 PolarHBondContact O-OG1 3.25Å; M26-T28 PolarHBondContact O-N 2.86Å; T28-I388 HydrophobicContact CG2-CG2 4.19Å; T28-S389 CarbonylContact O-C 3.59Å; T28-S389 WeakPolarHBondContact O-CA 3.25Å; T28-K390 WeakPolarHBondContact OG1-CE 3.36Å; T28-K390 WeakPolarHBondContact OG1-CG 3.36Å; T28-G431 WeakPolarHBondContact O-CA 3.33Å; T28-G431 PolarHBondContact O-N 2.76Å; T28-G431 VanDerWaalsContact O-N 3.1Å
29	S	84.6	Confident	72.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.316	C	S	.	.			trans	-149.7	118	179.1	171.2	0	0	0	0	111	M26 Y27 Q31 N32 V33 N429	M26-S29 PolarHBondContact O-N 3.23Å; M26-S29 VanDerWaalsContact O-N 3.14Å; M26-S29 VanDerWaalsContact O-O 3.09Å; Y27-S29 VanDerWaalsContact C-N 3.27Å; Y27-S29 PolarHBondContact O-N 3Å; S29-Q31 PolarHBondContact O-N 2.88Å; S29-Q31 WeakPolarHBondContact OG-CB 3.47Å; S29-Q31 PolarHBondContact OG-N 2.76Å; S29-N32 WeakPolarHBondContact CB-OD1 3.18Å; S29-N32 PolarHBondContact O-N 3.35Å; S29-N32 PolarHBondContact OG-OD1 3.32Å; S29-V33 PolarHBondContact O-N 3.34Å; S29-N429 VanDerWaalsContact CA-OD1 3.25Å; S29-N429 WeakPolarHBondContact CA-OD1 3.5Å; S29-N429 VanDerWaalsContact CB-OD1 3.31Å; S29-N429 WeakPolarHBondContact CB-OD1 3.45Å; S29-N429 PolarHBondContact OG-OD1 3.45Å
30	L	84.8	Confident	75.6	Confident	37 Å²	37	60.9 Å²	60.9	19%	0.194	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-22.3	174.6	-73.4	177.5	0	0	0	112.8	N32 V33 R34 N429 Y430 I432 G517 D518	L30-N32 VanDerWaalsContact C-N 3.34Å; L30-V33 HydrophobicContact CD2-CB 4.44Å; L30-V33 HydrophobicContact CD2-CG2 4.35Å; L30-V33 PolarHBondContact O-N 2.75Å; L30-R34 WeakPolarHBondContact O-CG 3.4Å; L30-R34 PolarHBondContact O-N 3.38Å; L30-N429 PolarHBondContact N-OD1 3.45Å; L30-N429 VanDerWaalsContact N-OD1 3.1Å; L30-Y430 PolarHBondContact N-O 3.16Å; L30-Y430 VanDerWaalsContact N-O 3.16Å; L30-I432 HydrophobicContact CD2-CG1 4.1Å; L30-G517 WeakPolarHBondContact CD1-O 3.38Å; L30-D518 HydrophobicContact CD1-CB 4.36Å
31	Q	86.4	Confident	78.7	Confident	27 Å²	27	58.6 Å²	58.6	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-39.6	170.3	-178.1	55.7	43.8	0	0	112.7	S29 R34 Q35 Q367 N429 W520	S29-Q31 PolarHBondContact O-N 2.88Å; S29-Q31 WeakPolarHBondContact OG-CB 3.47Å; S29-Q31 PolarHBondContact OG-N 2.76Å; Q31-R34 PolarHBondContact O-N 3.11Å; Q31-Q35 WeakPolarHBondContact O-CG 3.38Å; Q31-Q35 PolarHBondContact O-N 3.46Å; Q31-Q367 HydrophobicContact CG-CG 4.2Å; Q31-N429 PolarHBondContact N-OD1 3.49Å; Q31-W520 HydrophobicContact CB-CH2 4.3Å; Q31-W520 HydrophobicContact CB-CZ2 3.68Å; Q31-W520 HydrophobicContact CG-CH2 4.26Å; Q31-W520 HydrophobicContact CG-CZ2 3.88Å
32	N	83.1	Confident	81.4	Confident	34 Å²	34	56.3 Å²	56.3	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-73.5	-35.5	175.6	-64.7	128.8	0	0	0	111.5	M26 S29 L30 R34 Q35 A36 K390	M26-N32 HydrophobicContact CB-CB 4.46Å; M26-N32 HydrophobicContact CG-CB 3.85Å; S29-N32 WeakPolarHBondContact CB-OD1 3.18Å; S29-N32 PolarHBondContact O-N 3.35Å; S29-N32 PolarHBondContact OG-OD1 3.32Å; L30-N32 VanDerWaalsContact C-N 3.34Å; N32-R34 VanDerWaalsContact C-N 3.29Å; N32-R34 PolarHBondContact O-N 3.43Å; N32-Q35 PolarHBondContact ND2-OE1 3.06Å; N32-Q35 WeakPolarHBondContact O-CB 3.37Å; N32-Q35 PolarHBondContact O-N 3.04Å; N32-Q35 VanDerWaalsContact O-N 3.08Å; N32-A36 PolarHBondContact O-N 3.5Å; N32-A36 VanDerWaalsContact O-N 3.12Å; N32-K390 VanDerWaalsContact OD1-CD 3.31Å; N32-K390 WeakPolarHBondContact OD1-CD 3.42Å; N32-K390 VanDerWaalsContact OD1-CE 3.32Å; N32-K390 WeakPolarHBondContact OD1-CE 3.29Å; N32-K390 PolarHBondContact OD1-NZ 3.44Å
33	V	85.2	Confident	84.2	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.255	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-41.9	172	179.6	0	0	0	0	111.4	M26 S29 L30 Q35 A36	M26-V33 HydrophobicContact CE-CG2 4.27Å; M26-V33 HydrophobicContact CG-CG2 4.16Å; S29-V33 PolarHBondContact O-N 3.34Å; L30-V33 HydrophobicContact CD2-CB 4.44Å; L30-V33 HydrophobicContact CD2-CG2 4.35Å; L30-V33 PolarHBondContact O-N 2.75Å; V33-Q35 VanDerWaalsContact C-N 3.3Å; V33-Q35 PolarHBondContact O-N 2.99Å; V33-A36 WeakPolarHBondContact O-CB 3.46Å; V33-A36 PolarHBondContact O-N 3.49Å
34	R	86.2	Confident	86.3	Confident	122 Å²	122	55.1 Å²	55.1	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-35.7	174.4	-75.5	-177.5	-175.1	143.6	3.1	113.2	L30 Q31 N32 A36 I37 D518	L30-R34 WeakPolarHBondContact O-CG 3.4Å; L30-R34 PolarHBondContact O-N 3.38Å; Q31-R34 PolarHBondContact O-N 3.11Å; N32-R34 VanDerWaalsContact C-N 3.29Å; N32-R34 PolarHBondContact O-N 3.43Å; R34-A36 VanDerWaalsContact C-N 3.3Å; R34-I37 WeakPolarHBondContact O-CB 3.25Å; R34-I37 PolarHBondContact O-N 3.08Å; R34-D518 IonicContact CZ-OD2 2.74Å; R34-D518 VanDerWaalsContact CZ-OD2 3.29Å; R34-D518 IonicContact NH1-OD2 3.94Å; R34-D518 PolarHBondContact NH1-OD2 3.07Å; R34-D518 IonicContact NH2-OD2 3.17Å; R34-D518 PolarHBondContact NH2-OD2 3.05Å
35	Q	85.3	Confident	88	Confident	86 Å²	86	58.3 Å²	58.3	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-67.4	-32.2	176.6	-72	169.5	-24	0	0	111.8	Q31 N32 V33 I37 D38	Q31-Q35 WeakPolarHBondContact O-CG 3.38Å; Q31-Q35 PolarHBondContact O-N 3.46Å; N32-Q35 PolarHBondContact ND2-OE1 3.06Å; N32-Q35 WeakPolarHBondContact O-CB 3.37Å; N32-Q35 PolarHBondContact O-N 3.04Å; N32-Q35 VanDerWaalsContact O-N 3.08Å; V33-Q35 VanDerWaalsContact C-N 3.3Å; V33-Q35 PolarHBondContact O-N 2.99Å; Q35-I37 PolarHBondContact O-N 2.96Å; Q35-D38 PolarHBondContact O-N 3.22Å
36	A	87.6	Confident	89.1	Confident	20 Å²	20	57.6 Å²	57.6	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-24.7	176.6	0	0	0	0	0	113.5	M26 N32 V33 R34 D38 V39 E40	M26-A36 HydrophobicContact CE-CB 3.45Å; M26-A36 VanDerWaalsContact CE-CB 3.45Å; M26-A36 HydrophobicContact SD-CB 3.66Å; N32-A36 PolarHBondContact O-N 3.5Å; N32-A36 VanDerWaalsContact O-N 3.12Å; V33-A36 WeakPolarHBondContact O-CB 3.46Å; V33-A36 PolarHBondContact O-N 3.49Å; R34-A36 VanDerWaalsContact C-N 3.3Å; A36-D38 PolarHBondContact O-N 2.71Å; A36-V39 WeakPolarHBondContact O-CB 3.44Å; A36-V39 PolarHBondContact O-N 3.43Å; A36-V39 VanDerWaalsContact O-N 3.11Å; A36-E40 PolarHBondContact O-N 2.82Å
37	I	89.2	Confident	89.8	Confident	77 Å²	77	60 Å²	60	40%	0.395	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-38.8	173.7	-60	173.4	0	0	0	110.7	R34 Q35 V39 E40 R41	R34-I37 WeakPolarHBondContact O-CB 3.25Å; R34-I37 PolarHBondContact O-N 3.08Å; Q35-I37 PolarHBondContact O-N 2.96Å; I37-V39 VanDerWaalsContact C-N 3.29Å; I37-V39 PolarHBondContact O-N 2.78Å; I37-E40 PolarHBondContact O-N 2.77Å; I37-R41 WeakPolarHBondContact O-CG 3.29Å; I37-R41 PolarHBondContact O-N 3.45Å
38	D	90	Very high	90.6	Very high	87 Å²	87	67 Å²	67	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-69.6	-31.2	178.8	-68.1	-34.8	0	0	0	111.6	Q35 A36 R41 K42	Q35-D38 PolarHBondContact O-N 3.22Å; A36-D38 PolarHBondContact O-N 2.71Å; D38-R41 IonicContact OD1-NH1 2.73Å; D38-R41 PolarHBondContact OD1-NH1 2.91Å; D38-K42 WeakPolarHBondContact O-CG 3.45Å; D38-K42 PolarHBondContact O-N 2.73Å
39	V	92.3	Very high	91.4	Very high	12 Å²	12	70.8 Å²	70.8	7%	0.073	33%	0.332	C	S	.	.	H	α-helix	trans	-67.7	-47.5	172.9	-178.4	0	0	0	0	110.4	A36 I37 R41 K42 L43 E123 H126 L127	A36-V39 WeakPolarHBondContact O-CB 3.44Å; A36-V39 PolarHBondContact O-N 3.43Å; A36-V39 VanDerWaalsContact O-N 3.11Å; I37-V39 VanDerWaalsContact C-N 3.29Å; I37-V39 PolarHBondContact O-N 2.78Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 3.02Å; V39-K42 WeakPolarHBondContact O-CB 3.35Å; V39-K42 PolarHBondContact O-N 2.58Å; V39-K42 VanDerWaalsContact O-N 3.12Å; V39-L43 WeakPolarHBondContact O-CG 3.4Å; V39-L43 PolarHBondContact O-N 3.06Å; V39-E123 HydrophobicContact CG1-CB 3.85Å; V39-E123 HydrophobicContact CG1-CG 4.34Å; V39-H126 HydrophobicContact CG2-CB 3.94Å; V39-L127 HydrophobicContact CG1-CD2 3.68Å
40	E	94.2	Very high	92.1	Very high	121 Å²	121	73.8 Å²	73.8	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-59	-41.4	177.8	-174.6	178.1	-138.8	0	0	112	A36 I37 K42 L43 I44	A36-E40 PolarHBondContact O-N 2.82Å; I37-E40 PolarHBondContact O-N 2.77Å; E40-K42 VanDerWaalsContact C-N 3.32Å; E40-K42 PolarHBondContact O-N 2.76Å; E40-L43 WeakPolarHBondContact O-CB 3.27Å; E40-L43 PolarHBondContact O-N 3.18Å; E40-L43 VanDerWaalsContact O-N 3.09Å; E40-I44 HydrophobicContact CG-CD1 4.13Å; E40-I44 HydrophobicContact CG-CG1 4.49Å; E40-I44 WeakPolarHBondContact O-CG1 3.39Å; E40-I44 PolarHBondContact O-N 2.86Å
41	R	95.1	Very high	92.7	Very high	150 Å²	150	75.5 Å²	75.5	57%	0.566	35%	0.353	S	S	*	.	H	α-helix	trans	-55.8	-44.6	174.4	-76.1	172.5	176.5	174	-3.8	112.6	I37 D38 V39 I44 D45	I37-R41 WeakPolarHBondContact O-CG 3.29Å; I37-R41 PolarHBondContact O-N 3.45Å; D38-R41 IonicContact OD1-NH1 2.73Å; D38-R41 PolarHBondContact OD1-NH1 2.91Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 3.02Å; R41-I44 PolarHBondContact O-N 3.41Å; R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.11Å
42	K	95.4	Very high	93.2	Very high	85 Å²	85	78.1 Å²	78.1	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-42	175.5	-64	175.5	-174.6	175.7	0	111.6	D38 V39 E40 I44 D45 Y46 E123	D38-K42 WeakPolarHBondContact O-CG 3.45Å; D38-K42 PolarHBondContact O-N 2.73Å; V39-K42 WeakPolarHBondContact O-CB 3.35Å; V39-K42 PolarHBondContact O-N 2.58Å; V39-K42 VanDerWaalsContact O-N 3.12Å; E40-K42 VanDerWaalsContact C-N 3.32Å; E40-K42 PolarHBondContact O-N 2.76Å; K42-I44 VanDerWaalsContact C-N 3.31Å; K42-I44 PolarHBondContact O-N 2.9Å; K42-D45 WeakPolarHBondContact O-CB 3.31Å; K42-D45 PolarHBondContact O-N 2.95Å; K42-D45 VanDerWaalsContact O-N 3.17Å; K42-Y46 HydrophobicContact CB-CE1 4.49Å; K42-Y46 HydrophobicContact CB-CE2 4.13Å; K42-Y46 VanDerWaalsContact O-CD1 3.28Å; K42-Y46 WeakPolarHBondContact O-CD1 3.34Å; K42-Y46 WeakPolarHBondContact O-CD2 3.5Å; K42-Y46 PolarHBondContact O-N 3.18Å; K42-E123 HydrophobicContact CD-CG 4.46Å; K42-E123 WeakPolarHBondContact CD-OE1 3.44Å; K42-E123 IonicContact NZ-OE1 3.16Å; K42-E123 PolarHBondContact NZ-OE1 3.43Å; K42-E123 IonicContact NZ-OE2 3.73Å; K42-E123 PolarHBondContact NZ-OE2 2.73Å
43	L	96.4	Very high	93.9	Very high	39 Å²	39	78.8 Å²	78.8	20%	0.204	38%	0.375	C	S	.	.	H	α-helix	trans	-62.6	-38.9	178.2	-66.3	-176.7	0	0	0	111.8	V39 E40 D45 Y46 L47 Y120 E123 L127	V39-L43 WeakPolarHBondContact O-CG 3.4Å; V39-L43 PolarHBondContact O-N 3.06Å; E40-L43 WeakPolarHBondContact O-CB 3.27Å; E40-L43 PolarHBondContact O-N 3.18Å; E40-L43 VanDerWaalsContact O-N 3.09Å; L43-D45 VanDerWaalsContact C-N 3.34Å; L43-Y46 HydrophobicContact CD2-CD2 3.99Å; L43-Y46 HydrophobicContact CD2-CE2 4.44Å; L43-Y46 PolarHBondContact O-N 2.81Å; L43-L47 WeakPolarHBondContact O-CB 3.22Å; L43-L47 PolarHBondContact O-N 2.93Å; L43-Y120 HydrophobicContact CD1-CD2 4.34Å; L43-Y120 HydrophobicContact CD1-CE2 4.31Å; L43-Y120 HydrophobicContact CD2-CD2 3.88Å; L43-E123 HydrophobicContact CD2-CG 4.45Å; L43-L127 HydrophobicContact CD1-CD2 4.14Å
44	I	97.3	Very high	94.5	Very high	98 Å²	98	77.9 Å²	77.9	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-45.9	172.7	-69.7	166.3	0	0	0	110.4	E40 R41 K42 Y46 L47 R48	E40-I44 HydrophobicContact CG-CD1 4.13Å; E40-I44 HydrophobicContact CG-CG1 4.49Å; E40-I44 WeakPolarHBondContact O-CG1 3.39Å; E40-I44 PolarHBondContact O-N 2.86Å; R41-I44 PolarHBondContact O-N 3.41Å; K42-I44 VanDerWaalsContact C-N 3.31Å; K42-I44 PolarHBondContact O-N 2.9Å; I44-Y46 VanDerWaalsContact C-N 3.35Å; I44-Y46 PolarHBondContact O-N 3.36Å; I44-L47 PolarHBondContact O-N 2.91Å; I44-R48 WeakPolarHBondContact O-CB 3.45Å; I44-R48 PolarHBondContact O-N 3.43Å
45	D	97.3	Very high	95.1	Very high	92 Å²	92	77.4 Å²	77.4	49%	0.492	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.9	-72.2	-25.9	0	0	0	111.9	R41 K42 L43 R48 M49	R41-D45 PolarHBondContact O-N 3.22Å; R41-D45 VanDerWaalsContact O-N 3.11Å; K42-D45 WeakPolarHBondContact O-CB 3.31Å; K42-D45 PolarHBondContact O-N 2.95Å; K42-D45 VanDerWaalsContact O-N 3.17Å; L43-D45 VanDerWaalsContact C-N 3.34Å; D45-R48 PolarHBondContact O-N 3.29Å; D45-M49 WeakPolarHBondContact O-CG 3.42Å; D45-M49 PolarHBondContact O-N 3.33Å
46	Y	97.3	Very high	95.6	Very high	31 Å²	31	78.1 Å²	78.1	12%	0.122	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-43	176.3	-59.5	-17.5	0	0	0	112	K42 L43 I44 R48 M49 Y50 R119 E123	K42-Y46 HydrophobicContact CB-CE1 4.49Å; K42-Y46 HydrophobicContact CB-CE2 4.13Å; K42-Y46 VanDerWaalsContact O-CD1 3.28Å; K42-Y46 WeakPolarHBondContact O-CD1 3.34Å; K42-Y46 WeakPolarHBondContact O-CD2 3.5Å; K42-Y46 PolarHBondContact O-N 3.18Å; L43-Y46 HydrophobicContact CD2-CD2 3.99Å; L43-Y46 HydrophobicContact CD2-CE2 4.44Å; L43-Y46 PolarHBondContact O-N 2.81Å; I44-Y46 VanDerWaalsContact C-N 3.35Å; I44-Y46 PolarHBondContact O-N 3.36Å; Y46-R48 VanDerWaalsContact C-N 3.35Å; Y46-M49 HydrophobicContact CD1-CE 3.57Å; Y46-M49 HydrophobicContact CE1-CE 4.36Å; Y46-M49 HydrophobicContact CG-CE 4.45Å; Y46-M49 PolarHBondContact O-N 2.65Å; Y46-Y50 PolarHBondContact O-N 3.2Å; Y46-R119 HydrophobicContact CD1-CB 4.41Å; Y46-R119 HydrophobicContact CD2-CB 3.56Å; Y46-R119 HydrophobicContact CE2-CB 3.77Å; Y46-R119 HydrophobicContact CG-CB 3.9Å; Y46-E123 HydrophobicContact CE2-CG 4.07Å; Y46-E123 PolarHBondContact OH-OE1 2.96Å
47	L	97.4	Very high	96.1	Very high	85 Å²	85	79.7 Å²	79.7	45%	0.445	38%	0.376	S	S	.	.	H	α-helix	trans	-65	-40.3	176.2	179.2	66	0	0	0	111	L43 I44 M49 Y50 I51 L116	L43-L47 WeakPolarHBondContact O-CB 3.22Å; L43-L47 PolarHBondContact O-N 2.93Å; I44-L47 PolarHBondContact O-N 2.91Å; L47-M49 PolarHBondContact O-N 3.34Å; L47-Y50 HydrophobicContact CD1-CD1 4.21Å; L47-Y50 WeakPolarHBondContact O-CB 3.12Å; L47-Y50 PolarHBondContact O-N 2.72Å; L47-I51 HydrophobicContact CD1-CD1 4.43Å; L47-I51 HydrophobicContact CG-CD1 4Å; L47-I51 HydrophobicContact CG-CG1 4.49Å; L47-I51 WeakPolarHBondContact O-CG1 3.26Å; L47-I51 PolarHBondContact O-N 3.1Å; L47-L116 HydrophobicContact CD1-CD2 4.42Å
48	R	98	Very high	96.5	Very high	163 Å²	163	79.8 Å²	79.8	62%	0.615	38%	0.377	S	S	*	.	H	α-helix	trans	-59.1	-47.7	175	-176.3	178.6	-178.7	169.7	3.7	111.8	I44 D45 Y46 Y50 I51 D52	I44-R48 WeakPolarHBondContact O-CB 3.45Å; I44-R48 PolarHBondContact O-N 3.43Å; D45-R48 PolarHBondContact O-N 3.29Å; Y46-R48 VanDerWaalsContact C-N 3.35Å; R48-Y50 VanDerWaalsContact C-N 3.27Å; R48-Y50 PolarHBondContact O-N 2.89Å; R48-I51 PolarHBondContact O-N 3.03Å; R48-D52 PolarHBondContact O-N 2.93Å
49	M	97.1	Very high	96.8	Very high	78 Å²	78	80 Å²	80	38%	0.384	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-38.5	175.5	-71.6	-173.4	-67.8	0	0	112.3	D45 Y46 L47 S53	D45-M49 WeakPolarHBondContact O-CG 3.42Å; D45-M49 PolarHBondContact O-N 3.33Å; Y46-M49 HydrophobicContact CD1-CE 3.57Å; Y46-M49 HydrophobicContact CE1-CE 4.36Å; Y46-M49 HydrophobicContact CG-CE 4.45Å; Y46-M49 PolarHBondContact O-N 2.65Å; L47-M49 PolarHBondContact O-N 3.34Å; M49-S53 PolarHBondContact O-N 3.09Å; M49-S53 VanDerWaalsContact O-N 3.07Å; M49-S53 PolarHBondContact O-OG 3.2Å; M49-S53 VanDerWaalsContact O-OG 3.14Å
50	Y	97.8	Very high	97	Very high	64 Å²	64	82.1 Å²	82.1	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-45.3	175.4	171.7	-107.8	0	0	0	111.9	Y46 L47 R48 D52 S53 E54 N112 V113 L116	Y46-Y50 PolarHBondContact O-N 3.2Å; L47-Y50 HydrophobicContact CD1-CD1 4.21Å; L47-Y50 WeakPolarHBondContact O-CB 3.12Å; L47-Y50 PolarHBondContact O-N 2.72Å; R48-Y50 VanDerWaalsContact C-N 3.27Å; R48-Y50 PolarHBondContact O-N 2.89Å; Y50-D52 PolarHBondContact O-N 3.47Å; Y50-S53 PolarHBondContact O-N 3.38Å; Y50-E54 HydrophobicContact CD2-CG 4.15Å; Y50-E54 HydrophobicContact CE1-CG 4.04Å; Y50-E54 HydrophobicContact CE2-CG 3.56Å; Y50-E54 VanDerWaalsContact CZ-CG 3.5Å; Y50-E54 PolarHBondContact O-N 3.04Å; Y50-N112 HydrophobicContact CD2-CB 4.06Å; Y50-N112 HydrophobicContact CE2-CB 3.9Å; Y50-V113 HydrophobicContact CE2-CB 4.21Å; Y50-L116 HydrophobicContact CD1-CD2 3.82Å; Y50-L116 HydrophobicContact CD2-CB 4.23Å; Y50-L116 HydrophobicContact CD2-CD2 4.28Å; Y50-L116 HydrophobicContact CE1-CD2 4.33Å; Y50-L116 HydrophobicContact CG-CB 4.3Å; Y50-L116 HydrophobicContact CG-CD2 3.78Å
51	I	98	Very high	97.1	Very high	73 Å²	73	79.3 Å²	79.3	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-47.6	176.6	-69.6	165.3	0	0	0	110.5	L47 R48 S53 E54 Q55	L47-I51 HydrophobicContact CD1-CD1 4.43Å; L47-I51 HydrophobicContact CG-CD1 4Å; L47-I51 HydrophobicContact CG-CG1 4.49Å; L47-I51 WeakPolarHBondContact O-CG1 3.26Å; L47-I51 PolarHBondContact O-N 3.1Å; R48-I51 PolarHBondContact O-N 3.03Å; I51-S53 VanDerWaalsContact C-N 3.34Å; I51-S53 PolarHBondContact O-N 3.41Å; I51-E54 PolarHBondContact O-N 2.96Å; I51-Q55 HydrophobicContact CG2-CG 4.34Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 VanDerWaalsContact O-CG 3.3Å; I51-Q55 WeakPolarHBondContact O-CG 3.39Å; I51-Q55 PolarHBondContact O-N 3.21Å
52	D	97.9	Very high	97.2	Very high	82 Å²	82	77.5 Å²	77.5	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-42.8	179.9	-68.4	-19.5	0	0	0	111.3	R48 Y50 Q55 Q56	R48-D52 PolarHBondContact O-N 2.93Å; Y50-D52 PolarHBondContact O-N 3.47Å; D52-Q55 PolarHBondContact O-N 2.59Å; D52-Q56 PolarHBondContact O-N 3.26Å
53	S	97.7	Very high	97.3	Very high	47 Å²	47	80.6 Å²	80.6	33%	0.329	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-40.1	176.3	-66.1	0	0	0	0	113.3	M49 Y50 I51 Q56 R57	M49-S53 PolarHBondContact O-N 3.09Å; M49-S53 VanDerWaalsContact O-N 3.07Å; M49-S53 PolarHBondContact O-OG 3.2Å; M49-S53 VanDerWaalsContact O-OG 3.14Å; Y50-S53 PolarHBondContact O-N 3.38Å; I51-S53 VanDerWaalsContact C-N 3.34Å; I51-S53 PolarHBondContact O-N 3.41Å; S53-Q56 PolarHBondContact O-N 3.01Å; S53-R57 WeakPolarHBondContact O-CB 3.36Å; S53-R57 PolarHBondContact O-N 3.47Å
54	E	97.8	Very high	97.3	Very high	24 Å²	24	79.5 Å²	79.5	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-68.5	-38.9	175.8	-78.1	-58.9	135.9	0	0	112.2	Y50 I51 R57 L58 N112	Y50-E54 HydrophobicContact CD2-CG 4.15Å; Y50-E54 HydrophobicContact CE1-CG 4.04Å; Y50-E54 HydrophobicContact CE2-CG 3.56Å; Y50-E54 VanDerWaalsContact CZ-CG 3.5Å; Y50-E54 PolarHBondContact O-N 3.04Å; I51-E54 PolarHBondContact O-N 2.96Å; E54-R57 PolarHBondContact O-N 3.01Å; E54-R57 IonicContact OE1-NE 3.25Å; E54-R57 IonicContact OE2-CZ 3.96Å; E54-R57 IonicContact OE2-NE 3.21Å; E54-R57 PolarHBondContact OE2-NE 3.39Å; E54-R57 IonicContact OE2-NH2 3.41Å; E54-R57 PolarHBondContact OE2-NH2 3.19Å; E54-L58 WeakPolarHBondContact O-CB 3.4Å; E54-L58 VanDerWaalsContact O-CG 3.32Å; E54-L58 WeakPolarHBondContact O-CG 3.49Å; E54-L58 PolarHBondContact O-N 3.45Å; E54-N112 WeakPolarHBondContact OE1-CB 3.26Å; E54-N112 PolarHBondContact OE1-ND2 2.86Å
55	Q	97.8	Very high	97.2	Very high	112 Å²	112	80.6 Å²	80.6	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-61	-46.7	174.2	-76	179.2	2.4	0	0	111	I51 D52 R57 L58 E59	I51-Q55 HydrophobicContact CG2-CG 4.34Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 VanDerWaalsContact O-CG 3.3Å; I51-Q55 WeakPolarHBondContact O-CG 3.39Å; I51-Q55 PolarHBondContact O-N 3.21Å; D52-Q55 PolarHBondContact O-N 2.59Å; Q55-R57 PolarHBondContact O-N 3.22Å; Q55-L58 PolarHBondContact O-N 3.49Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.29Å
56	Q	97	Very high	97.1	Very high	101 Å²	101	78.2 Å²	78.2	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-59.8	-47.5	177.3	-177.9	56.3	51.1	0	0	111.6	D52 S53 L58 E59 D60	D52-Q56 PolarHBondContact O-N 3.26Å; S53-Q56 PolarHBondContact O-N 3.01Å; Q56-L58 VanDerWaalsContact C-N 3.33Å; Q56-L58 PolarHBondContact O-N 3.24Å; Q56-E59 PolarHBondContact O-N 3.24Å; Q56-D60 PolarHBondContact NE2-OD1 2.94Å; Q56-D60 PolarHBondContact NE2-OD2 3.31Å; Q56-D60 PolarHBondContact O-N 3.47Å
57	R	96.5	Very high	96.9	Very high	53 Å²	53	82.9 Å²	82.9	20%	0.2	39%	0.387	C	S	.	.	H	α-helix	trans	-56.1	-46.8	175.5	-177.1	-177.2	76.4	86.4	-0.1	111.6	S53 E54 Q55 D60 I61 E108	S53-R57 WeakPolarHBondContact O-CB 3.36Å; S53-R57 PolarHBondContact O-N 3.47Å; E54-R57 PolarHBondContact O-N 3.01Å; E54-R57 IonicContact OE1-NE 3.25Å; E54-R57 IonicContact OE2-CZ 3.96Å; E54-R57 IonicContact OE2-NE 3.21Å; E54-R57 PolarHBondContact OE2-NE 3.39Å; E54-R57 IonicContact OE2-NH2 3.41Å; E54-R57 PolarHBondContact OE2-NH2 3.19Å; Q55-R57 PolarHBondContact O-N 3.22Å; R57-D60 PolarHBondContact O-N 3.42Å; R57-I61 HydrophobicContact CG-CD1 4.18Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 2.93Å; R57-E108 HydrophobicContact CG-CB 4.15Å
58	L	97.6	Very high	96.6	Very high	78 Å²	78	79.5 Å²	79.5	41%	0.408	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-38.9	178.4	-74.9	174.9	0	0	0	112.1	E54 Q55 Q56 I61 K62	E54-L58 WeakPolarHBondContact O-CB 3.4Å; E54-L58 VanDerWaalsContact O-CG 3.32Å; E54-L58 WeakPolarHBondContact O-CG 3.49Å; E54-L58 PolarHBondContact O-N 3.45Å; Q55-L58 PolarHBondContact O-N 3.49Å; Q56-L58 VanDerWaalsContact C-N 3.33Å; Q56-L58 PolarHBondContact O-N 3.24Å; L58-I61 PolarHBondContact O-N 3.37Å; L58-K62 WeakPolarHBondContact O-CB 3.32Å; L58-K62 VanDerWaalsContact O-CG 3.25Å; L58-K62 WeakPolarHBondContact O-CG 3.28Å; L58-K62 PolarHBondContact O-N 3.25Å
59	E	97.8	Very high	96.2	Very high	91 Å²	91	73.9 Å²	73.9	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-38.2	175.3	-74.6	-53	129.8	0	0	112.4	Q55 Q56 K62 R63	Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.29Å; Q56-E59 PolarHBondContact O-N 3.24Å; E59-K62 PolarHBondContact O-N 2.84Å; E59-K62 WeakPolarHBondContact OE1-CD 3.48Å; E59-K62 IonicContact OE1-NZ 2.83Å; E59-K62 PolarHBondContact OE1-NZ 3.48Å; E59-R63 VanDerWaalsContact O-CB 3.29Å; E59-R63 WeakPolarHBondContact O-CB 3.3Å; E59-R63 PolarHBondContact O-N 3.16Å
60	D	95.8	Very high	95.7	Very high	58 Å²	58	74.6 Å²	74.6	31%	0.31	36%	0.361	S	S	.	.	H	α-helix	trans	-67.2	-39.4	175.5	-71.3	-37.6	0	0	0	112	Q56 R57 R63 F64	Q56-D60 PolarHBondContact NE2-OD1 2.94Å; Q56-D60 PolarHBondContact NE2-OD2 3.31Å; Q56-D60 PolarHBondContact O-N 3.47Å; R57-D60 PolarHBondContact O-N 3.42Å; D60-R63 PolarHBondContact O-N 3.41Å; D60-R63 IonicContact OD1-CZ 3.94Å; D60-R63 IonicContact OD1-NH1 3.87Å; D60-R63 PolarHBondContact OD1-NH1 3.49Å; D60-R63 IonicContact OD1-NH2 3.83Å; D60-F64 PolarHBondContact O-N 2.77Å
61	I	96.8	Very high	94.9	Very high	62 Å²	62	74.2 Å²	74.2	32%	0.318	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-45.6	172.8	-66.4	167.6	0	0	0	111.1	R57 L58 R63 F64 H65	R57-I61 HydrophobicContact CG-CD1 4.18Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 2.93Å; L58-I61 PolarHBondContact O-N 3.37Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.01Å; I61-F64 PolarHBondContact O-N 2.84Å; I61-H65 WeakPolarHBondContact O-CB 3.29Å; I61-H65 PolarHBondContact O-N 3.16Å
62	K	97.6	Very high	94.1	Very high	112 Å²	112	76.3 Å²	76.3	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-43.2	176.6	-74.9	173.1	-168.4	170.2	0	111.3	L58 E59 F64 H65 A66	L58-K62 WeakPolarHBondContact O-CB 3.32Å; L58-K62 VanDerWaalsContact O-CG 3.25Å; L58-K62 WeakPolarHBondContact O-CG 3.28Å; L58-K62 PolarHBondContact O-N 3.25Å; E59-K62 PolarHBondContact O-N 2.84Å; E59-K62 WeakPolarHBondContact OE1-CD 3.48Å; E59-K62 IonicContact OE1-NZ 2.83Å; E59-K62 PolarHBondContact OE1-NZ 3.48Å; K62-F64 VanDerWaalsContact C-N 3.35Å; K62-F64 PolarHBondContact O-N 2.93Å; K62-H65 PolarHBondContact O-N 3.13Å; K62-A66 WeakPolarHBondContact O-CB 3.5Å; K62-A66 PolarHBondContact O-N 2.59Å
63	R	96.9	Very high	93.2	Very high	149 Å²	149	74.4 Å²	74.4	56%	0.562	36%	0.364	S	S	*	.	H	α-helix	trans	-61.2	-43.8	176.6	-171.5	-171.5	-60.4	137.6	7.1	111.3	E59 D60 I61 R67	E59-R63 VanDerWaalsContact O-CB 3.29Å; E59-R63 WeakPolarHBondContact O-CB 3.3Å; E59-R63 PolarHBondContact O-N 3.16Å; D60-R63 PolarHBondContact O-N 3.41Å; D60-R63 IonicContact OD1-CZ 3.94Å; D60-R63 IonicContact OD1-NH1 3.87Å; D60-R63 PolarHBondContact OD1-NH1 3.49Å; D60-R63 IonicContact OD1-NH2 3.83Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.01Å; R63-R67 WeakPolarHBondContact O-CB 3.49Å; R63-R67 PolarHBondContact O-N 2.89Å; R63-R67 VanDerWaalsContact O-N 3.1Å
64	F	95.8	Very high	92.1	Very high	17 Å²	17	79.5 Å²	79.5	8%	0.075	38%	0.382	C	S	.	.	H	α-helix	trans	-61.5	-50	174.4	177.9	-99.4	0	0	0	111.3	D60 I61 K62 A66 R67 V68 E99 W100 V103	D60-F64 PolarHBondContact O-N 2.77Å; I61-F64 PolarHBondContact O-N 2.84Å; K62-F64 VanDerWaalsContact C-N 3.35Å; K62-F64 PolarHBondContact O-N 2.93Å; F64-A66 PolarHBondContact O-N 3.2Å; F64-R67 PolarHBondContact O-N 2.9Å; F64-V68 HydrophobicContact CD1-CG2 4.38Å; F64-V68 HydrophobicContact CD2-CG2 4.14Å; F64-V68 HydrophobicContact CE1-CG2 4.04Å; F64-V68 HydrophobicContact CE2-CG2 3.75Å; F64-V68 HydrophobicContact CG-CG2 4.44Å; F64-V68 HydrophobicContact CZ-CG2 3.72Å; F64-V68 VanDerWaalsContact O-CG2 3.32Å; F64-V68 WeakPolarHBondContact O-CG2 3.39Å; F64-V68 PolarHBondContact O-N 2.88Å; F64-E99 HydrophobicContact CE2-CB 3.91Å; F64-E99 HydrophobicContact CZ-CB 4.45Å; F64-W100 AromaticContact CE1-CD2 3.89Å; F64-W100 HydrophobicContact CE1-CD2 3.89Å; F64-W100 AromaticContact CE1-CE3 3.86Å; F64-W100 HydrophobicContact CE1-CE3 3.86Å; F64-W100 HydrophobicContact CE1-CH2 4.11Å; F64-W100 HydrophobicContact CE1-CZ2 4.13Å; F64-W100 AromaticContact CE1-CZ3 3.97Å; F64-W100 HydrophobicContact CE1-CZ3 3.97Å; F64-W100 AromaticContact CZ-CD2 3.92Å; F64-W100 HydrophobicContact CZ-CD2 3.92Å; F64-W100 HydrophobicContact CZ-CE3 4.32Å; F64-W100 HydrophobicContact CZ-CG 4.14Å; F64-V103 HydrophobicContact CB-CG2 4.43Å; F64-V103 HydrophobicContact CD1-CB 4.49Å; F64-V103 HydrophobicContact CD1-CG1 4.45Å; F64-V103 HydrophobicContact CD1-CG2 3.72Å; F64-V103 HydrophobicContact CD2-CG2 4.1Å; F64-V103 HydrophobicContact CE1-CB 4.46Å; F64-V103 HydrophobicContact CE1-CG2 3.9Å; F64-V103 HydrophobicContact CE2-CG2 4.29Å; F64-V103 HydrophobicContact CG-CG2 3.81Å; F64-V103 HydrophobicContact CZ-CG2 4.18Å
65	H	96.1	Very high	90.7	Very high	120 Å²	120	80.8 Å²	80.8	56%	0.556	39%	0.39	S	S	*	.	H	α-helix	trans	-57.2	-48.4	179.1	169.8	-95.8	0	0	0	112.4	I61 K62 V68 S69	I61-H65 WeakPolarHBondContact O-CB 3.29Å; I61-H65 PolarHBondContact O-N 3.16Å; K62-H65 PolarHBondContact O-N 3.13Å; H65-V68 PolarHBondContact O-N 2.88Å; H65-S69 PolarHBondContact NE2-OG 2.81Å; H65-S69 WeakPolarHBondContact O-CB 3.38Å; H65-S69 PolarHBondContact O-N 3.1Å; H65-S69 PolarHBondContact O-OG 3.38Å
66	A	95.2	Very high	89.2	Confident	42 Å²	42	78.6 Å²	78.6	35%	0.347	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-52.7	178.8	0	0	0	0	0	110.8	K62 F64 V68 S69 D70	K62-A66 WeakPolarHBondContact O-CB 3.5Å; K62-A66 PolarHBondContact O-N 2.59Å; F64-A66 PolarHBondContact O-N 3.2Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 2.82Å; A66-S69 PolarHBondContact O-N 2.74Å; A66-D70 WeakPolarHBondContact O-CB 3.47Å; A66-D70 PolarHBondContact O-N 2.93Å
67	R	92.3	Very high	87.7	Confident	129 Å²	129	82 Å²	82	49%	0.487	39%	0.391	S	S	.	.	H	α-helix	trans	-54.7	-44.5	178.8	-175.7	-178.6	74.6	-147.5	8.7	112.6	R63 F64 L71 E99	R63-R67 WeakPolarHBondContact O-CB 3.49Å; R63-R67 PolarHBondContact O-N 2.89Å; R63-R67 VanDerWaalsContact O-N 3.1Å; F64-R67 PolarHBondContact O-N 2.9Å; R67-L71 VanDerWaalsContact O-CB 3.27Å; R67-L71 WeakPolarHBondContact O-CB 3.36Å; R67-L71 PolarHBondContact O-N 2.89Å; R67-E99 IonicContact CZ-OE2 3.46Å; R67-E99 IonicContact NH2-OE2 2.89Å; R67-E99 PolarHBondContact NH2-OE2 3.28Å
68	V	90.8	Very high	86	Confident	15 Å²	15	81.6 Å²	81.6	9%	0.091	40%	0.402	C	S	.	.	H	α-helix	trans	-74	-38.6	-178.1	176.9	0	0	0	0	111.6	F64 H65 A66 H72 R95 W100	F64-V68 HydrophobicContact CD1-CG2 4.38Å; F64-V68 HydrophobicContact CD2-CG2 4.14Å; F64-V68 HydrophobicContact CE1-CG2 4.04Å; F64-V68 HydrophobicContact CE2-CG2 3.75Å; F64-V68 HydrophobicContact CG-CG2 4.44Å; F64-V68 HydrophobicContact CZ-CG2 3.72Å; F64-V68 VanDerWaalsContact O-CG2 3.32Å; F64-V68 WeakPolarHBondContact O-CG2 3.39Å; F64-V68 PolarHBondContact O-N 2.88Å; H65-V68 PolarHBondContact O-N 2.88Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 2.82Å; V68-H72 VanDerWaalsContact O-CB 3.25Å; V68-H72 WeakPolarHBondContact O-CB 3.34Å; V68-H72 PolarHBondContact O-N 2.85Å; V68-R95 VanDerWaalsContact CG2-CD 3.49Å; V68-W100 HydrophobicContact CG1-CZ2 4.06Å
69	S	89.9	Confident	84	Confident	45 Å²	45	83.2 Å²	83.2	32%	0.315	42%	0.418	S	S	.	.	H	α-helix	trans	-67.2	-45.3	178.9	-62.2	0	0	0	0	112	H65 A66 H72 S73	H65-S69 PolarHBondContact NE2-OG 2.81Å; H65-S69 WeakPolarHBondContact O-CB 3.38Å; H65-S69 PolarHBondContact O-N 3.1Å; H65-S69 PolarHBondContact O-OG 3.38Å; A66-S69 PolarHBondContact O-N 2.74Å; S69-H72 PolarHBondContact O-N 3.48Å; S69-S73 VanDerWaalsContact O-CB 3.32Å; S69-S73 WeakPolarHBondContact O-CB 3.16Å; S69-S73 PolarHBondContact O-N 2.95Å; S69-S73 PolarHBondContact O-OG 3.41Å
70	D	86.5	Confident	82.1	Confident	93 Å²	93	83.1 Å²	83.1	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-60	-52.4	177.5	-67.3	-18.3	0	0	0	109.8	A66 H72 S73 E74	A66-D70 WeakPolarHBondContact O-CB 3.47Å; A66-D70 PolarHBondContact O-N 2.93Å; D70-H72 VanDerWaalsContact C-N 3.26Å; D70-H72 PolarHBondContact O-N 3.5Å; D70-S73 PolarHBondContact O-N 2.97Å; D70-S73 VanDerWaalsContact O-N 3.08Å; D70-S73 PolarHBondContact O-OG 3.49Å; D70-E74 WeakPolarHBondContact O-CB 3.07Å; D70-E74 WeakPolarHBondContact O-CG 3.22Å; D70-E74 PolarHBondContact O-N 3.2Å
71	L	81.6	Confident	80.1	Confident	55 Å²	55	83.7 Å²	83.7	29%	0.288	45%	0.445	S	S	.	.	H	α-helix	trans	-57.8	-39.3	177.2	-171	71.1	0	0	0	112.2	R67 L75	R67-L71 VanDerWaalsContact O-CB 3.27Å; R67-L71 WeakPolarHBondContact O-CB 3.36Å; R67-L71 PolarHBondContact O-N 2.89Å; L71-L75 HydrophobicContact CD1-CD1 3.33Å; L71-L75 HydrophobicContact CD1-CG 4.01Å; L71-L75 HydrophobicContact CG-CD1 3.74Å; L71-L75 HydrophobicContact CG-CG 4.47Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.11Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 3.33Å; L71-L75 VanDerWaalsContact O-N 3.11Å
72	H	81.3	Confident	78.4	Confident	117 Å²	117	81.9 Å²	81.9	54%	0.542	44%	0.44	S	S	.	.	H	α-helix	trans	-67.8	-43.1	177.9	-172.8	77.9	0	0	0	111.5	V68 S69 D70 Y76	V68-H72 VanDerWaalsContact O-CB 3.25Å; V68-H72 WeakPolarHBondContact O-CB 3.34Å; V68-H72 PolarHBondContact O-N 2.85Å; S69-H72 PolarHBondContact O-N 3.48Å; D70-H72 VanDerWaalsContact C-N 3.26Å; D70-H72 PolarHBondContact O-N 3.5Å; H72-Y76 HydrophobicContact CB-CD2 4.43Å; H72-Y76 AromaticContact ND1-CD2 3.48Å; H72-Y76 WeakPolarHBondContact ND1-CD2 3.25Å; H72-Y76 WeakPolarHBondContact O-CB 3.43Å; H72-Y76 WeakPolarHBondContact O-CD2 3.5Å; H72-Y76 PolarHBondContact O-N 3.17Å; H72-Y76 VanDerWaalsContact O-N 3.15Å
73	S	79.1	Confident	76.7	Confident	42 Å²	42	80.6 Å²	80.6	29%	0.294	44%	0.441	S	S	.	.	H	α-helix	trans	-70.9	-34.5	-178	80.3	0	0	0	0	113.2	S69 D70 K77	S69-S73 VanDerWaalsContact O-CB 3.32Å; S69-S73 WeakPolarHBondContact O-CB 3.16Å; S69-S73 PolarHBondContact O-N 2.95Å; S69-S73 PolarHBondContact O-OG 3.41Å; D70-S73 PolarHBondContact O-N 2.97Å; D70-S73 VanDerWaalsContact O-N 3.08Å; D70-S73 PolarHBondContact O-OG 3.49Å; S73-K77 WeakPolarHBondContact O-CB 3.31Å; S73-K77 WeakPolarHBondContact O-CD 3.28Å; S73-K77 WeakPolarHBondContact O-CG 3.28Å
74	E	74.3	Confident	75.3	Confident	154 Å²	154	77.3 Å²	77.3	72%	0.72	45%	0.446	S	S	*	.	H	α-helix	trans	-81.1	-41.4	-179.9	-69.7	-172	157.7	0	0	112.3	D70	D70-E74 WeakPolarHBondContact O-CB 3.07Å; D70-E74 WeakPolarHBondContact O-CG 3.22Å; D70-E74 PolarHBondContact O-N 3.2Å
75	L	68.9	Low	74.6	Confident	52 Å²	52	79.9 Å²	79.9	27%	0.272	46%	0.46	S	S	.	.	H	α-helix	trans	-86.5	-32.3	-173.5	-66.7	-180	0	0	0	114.3	L71 A82 V88	L71-L75 HydrophobicContact CD1-CD1 3.33Å; L71-L75 HydrophobicContact CD1-CG 4.01Å; L71-L75 HydrophobicContact CG-CD1 3.74Å; L71-L75 HydrophobicContact CG-CG 4.47Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.11Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 3.33Å; L71-L75 VanDerWaalsContact O-N 3.11Å; L75-A82 VanDerWaalsContact O-CB 3.22Å; L75-A82 WeakPolarHBondContact O-CB 3.38Å; L75-V88 HydrophobicContact CD1-CG1 4.13Å; L75-V88 HydrophobicContact CD1-CG2 4.39Å
76	Y	65.4	Low	74	Confident	65 Å²	65	79.1 Å²	79.1	26%	0.255	47%	0.466	S	S	.	.	S	Bend	trans	-107	6.2	-171.5	-55.8	-76.8	0	0	0	114.5	H72 T83	H72-Y76 HydrophobicContact CB-CD2 4.43Å; H72-Y76 AromaticContact ND1-CD2 3.48Å; H72-Y76 WeakPolarHBondContact ND1-CD2 3.25Å; H72-Y76 WeakPolarHBondContact O-CB 3.43Å; H72-Y76 WeakPolarHBondContact O-CD2 3.5Å; H72-Y76 PolarHBondContact O-N 3.17Å; H72-Y76 VanDerWaalsContact O-N 3.15Å; Y76-T83 HydrophobicContact CE1-CG2 4.24Å
77	K	64.7	Low	73.5	Confident	174 Å²	174	83.1 Å²	83.1	76%	0.757	48%	0.481	S	S	*	.	S	Bend	trans	-85.1	-9.5	167.4	-73.5	-175.7	-172.9	170.7	0	113.7	S73	S73-K77 WeakPolarHBondContact O-CB 3.31Å; S73-K77 WeakPolarHBondContact O-CD 3.28Å; S73-K77 WeakPolarHBondContact O-CG 3.28Å
78	G	62.7	Low	73.1	Confident	43 Å²	43	77.8 Å²	77.8	44%	0.443	46%	0.463	S	S	.	.	S	Bend	trans	-100	173.6	178.9	0	0	0	0	0	114.5
79	P	54.8	Low	72.8	Confident	113 Å²	113	79 Å²	79	73%	0.734	47%	0.474	S	S	*	.			trans	-63.5	162.3	-173	25.6	-30.5	0	0	0	112.2	A81 A82	P79-A81 PolarHBondContact O-N 2.73Å; P79-A82 PolarHBondContact O-N 3.08Å
80	A	57.2	Low	72.7	Confident	88 Å²	88	83.3 Å²	83.3	73%	0.727	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-0.9	-174.7	0	0	0	0	0	117.5	A82 T83	A80-A82 VanDerWaalsContact C-N 3.34Å; A80-T83 PolarHBondContact O-OG1 3.15Å
81	A	55.1	Low	72.9	Confident	71 Å²	71	81.7 Å²	81.7	59%	0.587	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.3	172.4	0	0	0	0	0	114.1	P79 T83 A84	P79-A81 PolarHBondContact O-N 2.73Å; A81-T83 VanDerWaalsContact C-N 3.33Å; A81-T83 PolarHBondContact O-N 3.15Å; A81-A84 WeakPolarHBondContact O-CB 3.38Å; A81-A84 PolarHBondContact O-N 2.6Å
82	A	59.8	Low	73.2	Confident	24 Å²	24	81.4 Å²	81.4	20%	0.198	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-64.1	-35	-179.8	0	0	0	0	0	113.2	L75 P79 A80 V88	L75-A82 VanDerWaalsContact O-CB 3.22Å; L75-A82 WeakPolarHBondContact O-CB 3.38Å; P79-A82 PolarHBondContact O-N 3.08Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A82-V88 WeakPolarHBondContact O-CB 3.07Å; A82-V88 WeakPolarHBondContact O-CG1 3.34Å
83	T	62	Low	73.6	Confident	85 Å²	85	80.3 Å²	80.3	52%	0.521	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-82.3	-13.8	176.5	41.6	0	0	0	0	113.7	Y76 A80 A81 N85	Y76-T83 HydrophobicContact CE1-CG2 4.24Å; A80-T83 PolarHBondContact O-OG1 3.15Å; A81-T83 VanDerWaalsContact C-N 3.33Å; A81-T83 PolarHBondContact O-N 3.15Å; T83-N85 VanDerWaalsContact C-N 3.25Å; T83-N85 PolarHBondContact O-N 3.43Å
84	A	67.3	Low	74.3	Confident	79 Å²	79	83.1 Å²	83.1	65%	0.653	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-76.2	-13.1	173.6	0	0	0	0	0	112.7	A81 P86	A81-A84 WeakPolarHBondContact O-CB 3.38Å; A81-A84 PolarHBondContact O-N 2.6Å; A84-P86 VanDerWaalsContact O-CD 3.3Å; A84-P86 WeakPolarHBondContact O-CD 3.3Å
85	N	81.3	Confident	75.3	Confident	72 Å²	72	76.4 Å²	76.4	39%	0.385	46%	0.456	S	S	.	.	S	Bend	trans	-80.6	113.8	173.2	-176.5	-23.9	0	0	0	110.3	T83 L87 V88 A89	T83-N85 VanDerWaalsContact C-N 3.25Å; T83-N85 PolarHBondContact O-N 3.43Å; N85-L87 PolarHBondContact O-N 3.05Å; N85-L87 VanDerWaalsContact O-N 3.12Å; N85-L87 WeakPolarHBondContact OD1-CB 3.33Å; N85-L87 PolarHBondContact OD1-N 3.21Å; N85-V88 HydrophobicContact CB-CB 4.14Å; N85-V88 HydrophobicContact CB-CG2 3.9Å; N85-V88 PolarHBondContact O-N 2.65Å; N85-A89 PolarHBondContact O-N 2.94Å
86	P	84	Confident	76.4	Confident	103 Å²	103	79 Å²	79	67%	0.669	47%	0.469	S	S	*	.	H	α-helix	trans	-59.3	-26.8	-178.2	-24.8	35.7	0	0	0	114.2	A84 F90	A84-P86 VanDerWaalsContact O-CD 3.3Å; A84-P86 WeakPolarHBondContact O-CD 3.3Å; P86-F90 VanDerWaalsContact O-CB 3.24Å; P86-F90 WeakPolarHBondContact O-CB 3.18Å; P86-F90 PolarHBondContact O-N 3.46Å
87	L	85.1	Confident	77.7	Confident	127 Å²	127	82.2 Å²	82.2	67%	0.665	49%	0.486	S	S	*	.	H	α-helix	trans	-73.4	-38.3	177	-58.3	178.8	0	0	0	111.9	N85 T91	N85-L87 PolarHBondContact O-N 3.05Å; N85-L87 VanDerWaalsContact O-N 3.12Å; N85-L87 WeakPolarHBondContact OD1-CB 3.33Å; N85-L87 PolarHBondContact OD1-N 3.21Å; L87-T91 WeakPolarHBondContact O-CB 3.35Å; L87-T91 VanDerWaalsContact O-CG2 3.3Å; L87-T91 WeakPolarHBondContact O-CG2 3.27Å; L87-T91 PolarHBondContact O-N 2.85Å; L87-T91 PolarHBondContact O-OG1 3.09Å
88	V	83.6	Confident	79	Confident	17 Å²	17	76.1 Å²	76.1	10%	0.103	47%	0.466	C	S	.	.	H	α-helix	trans	-67.6	-43.6	174.6	175.6	0	0	0	0	110	L75 A82 N85 T91 L92	L75-V88 HydrophobicContact CD1-CG1 4.13Å; L75-V88 HydrophobicContact CD1-CG2 4.39Å; A82-V88 WeakPolarHBondContact O-CB 3.07Å; A82-V88 WeakPolarHBondContact O-CG1 3.34Å; N85-V88 HydrophobicContact CB-CB 4.14Å; N85-V88 HydrophobicContact CB-CG2 3.9Å; N85-V88 PolarHBondContact O-N 2.65Å; V88-T91 PolarHBondContact O-OG1 3.33Å; V88-T91 VanDerWaalsContact O-OG1 3.12Å; V88-L92 WeakPolarHBondContact O-CB 3.28Å; V88-L92 PolarHBondContact O-N 2.64Å
89	A	83.6	Confident	80.5	Confident	40 Å²	40	76.1 Å²	76.1	33%	0.331	45%	0.454	S	S	.	.	H	α-helix	trans	-61	-47.5	175	0	0	0	0	0	111.9	N85 L92 V93	N85-A89 PolarHBondContact O-N 2.94Å; A89-L92 PolarHBondContact O-N 2.56Å; A89-V93 WeakPolarHBondContact O-CG2 3.41Å; A89-V93 PolarHBondContact O-N 3.41Å
90	F	89.3	Confident	82.5	Confident	135 Å²	135	75.6 Å²	75.6	59%	0.592	44%	0.438	S	S	*	.	H	α-helix	trans	-60.5	-48.1	177.8	172.5	-100.8	0	0	0	112.6	P86 L92 V93 K94	P86-F90 VanDerWaalsContact O-CB 3.24Å; P86-F90 WeakPolarHBondContact O-CB 3.18Å; P86-F90 PolarHBondContact O-N 3.46Å; F90-L92 VanDerWaalsContact C-N 3.32Å; F90-L92 PolarHBondContact O-N 3.33Å; F90-V93 PolarHBondContact O-N 3.01Å; F90-K94 HydrophobicContact CE1-CD 4.5Å; F90-K94 WeakPolarHBondContact O-CB 3.22Å; F90-K94 PolarHBondContact O-N 2.93Å
91	T	89.2	Confident	84.3	Confident	59 Å²	59	75.2 Å²	75.2	36%	0.362	42%	0.423	S	S	.	.	H	α-helix	trans	-67.1	-32.3	-178.6	52.4	0	0	0	0	112.6	L87 V88 R95	L87-T91 WeakPolarHBondContact O-CB 3.35Å; L87-T91 VanDerWaalsContact O-CG2 3.3Å; L87-T91 WeakPolarHBondContact O-CG2 3.27Å; L87-T91 PolarHBondContact O-N 2.85Å; L87-T91 PolarHBondContact O-OG1 3.09Å; V88-T91 PolarHBondContact O-OG1 3.33Å; V88-T91 VanDerWaalsContact O-OG1 3.12Å; T91-R95 VanDerWaalsContact O-CB 3.24Å; T91-R95 WeakPolarHBondContact O-CB 3.41Å; T91-R95 PolarHBondContact O-N 2.98Å; T91-R95 PolarHBondContact O-NH1 2.79Å
92	L	88.7	Confident	86	Confident	49 Å²	49	77.7 Å²	77.7	26%	0.257	43%	0.426	S	S	.	.	H	α-helix	trans	-64.8	-50.4	169.8	176.8	64.3	0	0	0	111.5	V88 A89 F90 K94 R95 L96	V88-L92 WeakPolarHBondContact O-CB 3.28Å; V88-L92 PolarHBondContact O-N 2.64Å; A89-L92 PolarHBondContact O-N 2.56Å; F90-L92 VanDerWaalsContact C-N 3.32Å; F90-L92 PolarHBondContact O-N 3.33Å; L92-K94 PolarHBondContact O-N 3.23Å; L92-R95 PolarHBondContact O-N 3.09Å; L92-L96 HydrophobicContact CD1-CD1 3.86Å; L92-L96 HydrophobicContact CD1-CG 4.05Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 HydrophobicContact CG-CG 4.5Å; L92-L96 WeakPolarHBondContact O-CG 3.21Å; L92-L96 PolarHBondContact O-N 3.11Å
93	V	90.3	Very high	87.6	Confident	95 Å²	95	78.8 Å²	78.8	58%	0.576	43%	0.431	S	S	*	.	H	α-helix	trans	-58.8	-47.4	178.9	170.9	0	0	0	0	110.6	A89 F90 R95 L96 H97	A89-V93 WeakPolarHBondContact O-CG2 3.41Å; A89-V93 PolarHBondContact O-N 3.41Å; F90-V93 PolarHBondContact O-N 3.01Å; V93-R95 PolarHBondContact O-N 2.95Å; V93-L96 PolarHBondContact O-N 2.73Å; V93-H97 WeakPolarHBondContact O-CB 3.49Å; V93-H97 PolarHBondContact O-N 3.05Å
94	K	93.6	Very high	89.2	Confident	101 Å²	101	79.4 Å²	79.4	44%	0.439	43%	0.434	S	S	.	.	H	α-helix	trans	-57.8	-46.2	175.5	-179.9	-170.4	170.5	-163.8	0	111.8	F90 L92 H97 S98 E99	F90-K94 HydrophobicContact CE1-CD 4.5Å; F90-K94 WeakPolarHBondContact O-CB 3.22Å; F90-K94 PolarHBondContact O-N 2.93Å; L92-K94 PolarHBondContact O-N 3.23Å; K94-H97 PolarHBondContact O-N 3.07Å; K94-S98 PolarHBondContact O-N 3.33Å; K94-E99 IonicContact NZ-OE1 3.28Å
95	R	93.8	Very high	90.4	Very high	13 Å²	13	83.8 Å²	83.8	5%	0.049	44%	0.435	C	S	.	.	I	π-helix	trans	-62.7	-46.7	-178.9	179.4	171.4	59	-100.6	6.6	111.6	V68 T91 L92 V93 E99 W100	V68-R95 VanDerWaalsContact CG2-CD 3.49Å; T91-R95 VanDerWaalsContact O-CB 3.24Å; T91-R95 WeakPolarHBondContact O-CB 3.41Å; T91-R95 PolarHBondContact O-N 2.98Å; T91-R95 PolarHBondContact O-NH1 2.79Å; L92-R95 PolarHBondContact O-N 3.09Å; V93-R95 PolarHBondContact O-N 2.95Å; R95-E99 HydrophobicContact CG-CB 4.27Å; R95-E99 PolarHBondContact O-N 3.08Å; R95-W100 VanDerWaalsContact O-CD1 3.29Å; R95-W100 PolarHBondContact O-N 2.79Å
96	L	92.5	Very high	91.1	Very high	105 Å²	105	82.4 Å²	82.4	55%	0.55	43%	0.431	S	S	.	.	I	π-helix	trans	-67.7	-36.8	177.9	-67.4	176.2	0	0	0	112.6	L92 V93	L92-L96 HydrophobicContact CD1-CD1 3.86Å; L92-L96 HydrophobicContact CD1-CG 4.05Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 HydrophobicContact CG-CG 4.5Å; L92-L96 WeakPolarHBondContact O-CG 3.21Å; L92-L96 PolarHBondContact O-N 3.11Å; V93-L96 PolarHBondContact O-N 2.73Å
97	H	92.8	Very high	91.6	Very high	133 Å²	133	81.7 Å²	81.7	62%	0.616	42%	0.421	S	S	*	.	I	π-helix	trans	-78.6	-37	-178.2	-179	59.2	0	0	0	113.5	V93 K94 L101	V93-H97 WeakPolarHBondContact O-CB 3.49Å; V93-H97 PolarHBondContact O-N 3.05Å; K94-H97 PolarHBondContact O-N 3.07Å; H97-L101 WeakPolarHBondContact O-CD1 3.18Å; H97-L101 WeakPolarHBondContact O-CG 3.26Å
98	S	92.8	Very high	92.1	Very high	46 Å²	46	79.8 Å²	79.8	32%	0.322	41%	0.409	S	S	.	.	I	π-helix	trans	-127	-45.8	-168.6	-52.5	0	0	0	0	114.2	K94 L101 N102	K94-S98 PolarHBondContact O-N 3.33Å; S98-L101 PolarHBondContact O-N 2.74Å; S98-N102 PolarHBondContact O-N 2.83Å
99	E	94.9	Very high	92.6	Very high	43 Å²	43	80.6 Å²	80.6	20%	0.201	42%	0.417	C	S	.	.	I	π-helix	trans	-71.9	-40.2	-172.7	-57.6	-176	-170.7	0	0	112.4	F64 R67 K94 R95 L101 N102 V103	F64-E99 HydrophobicContact CE2-CB 3.91Å; F64-E99 HydrophobicContact CZ-CB 4.45Å; R67-E99 IonicContact CZ-OE2 3.46Å; R67-E99 IonicContact NH2-OE2 2.89Å; R67-E99 PolarHBondContact NH2-OE2 3.28Å; K94-E99 IonicContact NZ-OE1 3.28Å; R95-E99 HydrophobicContact CG-CB 4.27Å; R95-E99 PolarHBondContact O-N 3.08Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 3.27Å; E99-N102 PolarHBondContact O-N 2.8Å; E99-V103 PolarHBondContact O-N 3.31Å
100	W	95.4	Very high	93.2	Very high	102 Å²	102	85.2 Å²	85.2	39%	0.386	43%	0.432	S	S	.	.	H	α-helix	trans	-63.5	-36.2	173.5	-84.4	105.3	0	0	0	112.4	F64 V68 R95 N102 V103 V104	F64-W100 AromaticContact CE1-CD2 3.89Å; F64-W100 HydrophobicContact CE1-CD2 3.89Å; F64-W100 AromaticContact CE1-CE3 3.86Å; F64-W100 HydrophobicContact CE1-CE3 3.86Å; F64-W100 HydrophobicContact CE1-CH2 4.11Å; F64-W100 HydrophobicContact CE1-CZ2 4.13Å; F64-W100 AromaticContact CE1-CZ3 3.97Å; F64-W100 HydrophobicContact CE1-CZ3 3.97Å; F64-W100 AromaticContact CZ-CD2 3.92Å; F64-W100 HydrophobicContact CZ-CD2 3.92Å; F64-W100 HydrophobicContact CZ-CE3 4.32Å; F64-W100 HydrophobicContact CZ-CG 4.14Å; V68-W100 HydrophobicContact CG1-CZ2 4.06Å; R95-W100 VanDerWaalsContact O-CD1 3.29Å; R95-W100 PolarHBondContact O-N 2.79Å; W100-N102 VanDerWaalsContact C-N 3.31Å; W100-N102 PolarHBondContact O-N 2.85Å; W100-V103 PolarHBondContact O-N 3.36Å; W100-V104 HydrophobicContact CE3-CG2 4.39Å; W100-V104 WeakPolarHBondContact O-CB 3.33Å; W100-V104 WeakPolarHBondContact O-CG2 3.45Å; W100-V104 PolarHBondContact O-N 3Å
101	L	94.8	Very high	93.6	Very high	81 Å²	81	84.5 Å²	84.5	42%	0.424	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-42.2	176.5	-67.7	-176.6	0	0	0	111.4	H97 S98 E99 V103 V104 Y105	H97-L101 WeakPolarHBondContact O-CD1 3.18Å; H97-L101 WeakPolarHBondContact O-CG 3.26Å; S98-L101 PolarHBondContact O-N 2.74Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 3.27Å; L101-V103 PolarHBondContact O-N 2.69Å; L101-V104 PolarHBondContact O-N 3.07Å; L101-Y105 HydrophobicContact CB-CD2 4.31Å; L101-Y105 HydrophobicContact CD2-CD2 3.73Å; L101-Y105 HydrophobicContact CD2-CE2 3.49Å; L101-Y105 VanDerWaalsContact CD2-CE2 3.49Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 2.99Å
102	N	92.2	Very high	93.9	Very high	123 Å²	123	83 Å²	83	66%	0.658	42%	0.42	S	S	*	.	H	α-helix	trans	-62.1	-28.5	179	-67.7	-11.7	0	0	0	112.8	S98 E99 W100 S106	S98-N102 PolarHBondContact O-N 2.83Å; E99-N102 PolarHBondContact O-N 2.8Å; W100-N102 VanDerWaalsContact C-N 3.31Å; W100-N102 PolarHBondContact O-N 2.85Å; N102-S106 WeakPolarHBondContact O-CB 3.44Å
103	V	93.7	Very high	94.3	Very high	47 Å²	47	82.6 Å²	82.6	29%	0.285	42%	0.42	S	S	.	.	H	α-helix	trans	-85.9	-46.7	177.6	-180	0	0	0	0	111.2	F64 E99 W100 L101	F64-V103 HydrophobicContact CB-CG2 4.43Å; F64-V103 HydrophobicContact CD1-CB 4.49Å; F64-V103 HydrophobicContact CD1-CG1 4.45Å; F64-V103 HydrophobicContact CD1-CG2 3.72Å; F64-V103 HydrophobicContact CD2-CG2 4.1Å; F64-V103 HydrophobicContact CE1-CB 4.46Å; F64-V103 HydrophobicContact CE1-CG2 3.9Å; F64-V103 HydrophobicContact CE2-CG2 4.29Å; F64-V103 HydrophobicContact CG-CG2 3.81Å; F64-V103 HydrophobicContact CZ-CG2 4.18Å; E99-V103 PolarHBondContact O-N 3.31Å; W100-V103 PolarHBondContact O-N 3.36Å; L101-V103 PolarHBondContact O-N 2.69Å
104	V	93.9	Very high	94.6	Very high	97 Å²	97	83 Å²	83	59%	0.588	42%	0.416	S	S	*	.	H	α-helix	trans	-69.1	-36.3	-176.2	172.8	0	0	0	0	112.2	W100 L101	W100-V104 HydrophobicContact CE3-CG2 4.39Å; W100-V104 WeakPolarHBondContact O-CB 3.33Å; W100-V104 WeakPolarHBondContact O-CG2 3.45Å; W100-V104 PolarHBondContact O-N 3Å; L101-V104 PolarHBondContact O-N 3.07Å
105	Y	93.9	Very high	94.7	Very high	172 Å²	172	81.8 Å²	81.8	68%	0.675	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	20.6	-179.2	-62	-76.8	0	0	0	112.7	L101	L101-Y105 HydrophobicContact CB-CD2 4.31Å; L101-Y105 HydrophobicContact CD2-CD2 3.73Å; L101-Y105 HydrophobicContact CD2-CE2 3.49Å; L101-Y105 VanDerWaalsContact CD2-CE2 3.49Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 2.99Å
106	S	94.7	Very high	94.9	Very high	43 Å²	43	83.1 Å²	83.1	30%	0.301	42%	0.422	S	S	.	.			trans	-66.5	132.6	171	177.8	0	0	0	0	110.4	N102 E108	N102-S106 WeakPolarHBondContact O-CB 3.44Å; S106-E108 WeakPolarHBondContact OG-CB 3.18Å; S106-E108 VanDerWaalsContact OG-CG 3.31Å; S106-E108 WeakPolarHBondContact OG-CG 3.1Å; S106-E108 PolarHBondContact OG-N 3.26Å
107	N	95.4	Very high	95.1	Very high	88 Å²	88	85.6 Å²	85.6	47%	0.471	42%	0.424	S	S	.	.			trans	-92.5	0.2	174.3	-66.6	-28.3	0	0	0	112.9	A109 Q110 E111	N107-A109 VanDerWaalsContact C-N 3.26Å; N107-A109 PolarHBondContact O-N 3.23Å; N107-A109 VanDerWaalsContact O-N 3.15Å; N107-Q110 WeakPolarHBondContact O-CA 3.46Å; N107-Q110 WeakPolarHBondContact O-CB 3.38Å; N107-Q110 PolarHBondContact O-N 2.84Å; N107-E111 HydrophobicContact CB-CG 4.36Å; N107-E111 WeakPolarHBondContact O-CG 3.46Å; N107-E111 PolarHBondContact O-N 2.99Å
108	E	94.9	Very high	95.3	Very high	87 Å²	87	81.7 Å²	81.7	41%	0.407	41%	0.412	S	S	.	.	H	α-helix	trans	-54.2	-41.5	-172.8	-73.6	168.5	-152.1	0	0	112.5	R57 S106 Q110 E111 N112	R57-E108 HydrophobicContact CG-CB 4.15Å; S106-E108 WeakPolarHBondContact OG-CB 3.18Å; S106-E108 VanDerWaalsContact OG-CG 3.31Å; S106-E108 WeakPolarHBondContact OG-CG 3.1Å; S106-E108 PolarHBondContact OG-N 3.26Å; E108-Q110 VanDerWaalsContact C-N 3.33Å; E108-Q110 PolarHBondContact O-N 2.68Å; E108-E111 PolarHBondContact O-N 2.86Å; E108-N112 VanDerWaalsContact O-CB 3.31Å; E108-N112 WeakPolarHBondContact O-CB 3.27Å; E108-N112 PolarHBondContact O-N 2.84Å; E108-N112 PolarHBondContact O-ND2 3.49Å; E108-N112 PolarHBondContact O-OD1 3.05Å
109	A	94.7	Very high	95.4	Very high	34 Å²	34	83.2 Å²	83.2	28%	0.281	41%	0.41	S	S	.	.	H	α-helix	trans	-62.1	-40.8	177.3	0	0	0	0	0	112.4	N107 V113	N107-A109 VanDerWaalsContact C-N 3.26Å; N107-A109 PolarHBondContact O-N 3.23Å; N107-A109 VanDerWaalsContact O-N 3.15Å; A109-V113 WeakPolarHBondContact O-CG1 3.28Å; A109-V113 PolarHBondContact O-N 3.37Å
110	Q	96.1	Very high	95.5	Very high	136 Å²	136	86.3 Å²	86.3	64%	0.636	42%	0.421	S	S	*	.	H	α-helix	trans	-70.7	-40.7	178.2	-67.2	-176	-10.6	0	0	111.1	N107 E108 V113 Q114	N107-Q110 WeakPolarHBondContact O-CA 3.46Å; N107-Q110 WeakPolarHBondContact O-CB 3.38Å; N107-Q110 PolarHBondContact O-N 2.84Å; E108-Q110 VanDerWaalsContact C-N 3.33Å; E108-Q110 PolarHBondContact O-N 2.68Å; Q110-V113 VanDerWaalsContact O-CG1 3.29Å; Q110-V113 WeakPolarHBondContact O-CG1 3.24Å; Q110-Q114 WeakPolarHBondContact O-CB 3.48Å; Q110-Q114 PolarHBondContact O-N 2.54Å
111	E	96.6	Very high	95.5	Very high	121 Å²	121	88.6 Å²	88.6	57%	0.565	43%	0.433	S	S	*	.	H	α-helix	trans	-64.6	-44	177.4	-70.4	175.6	-174.1	0	0	111.4	N107 E108 Q114 N115	N107-E111 HydrophobicContact CB-CG 4.36Å; N107-E111 WeakPolarHBondContact O-CG 3.46Å; N107-E111 PolarHBondContact O-N 2.99Å; E108-E111 PolarHBondContact O-N 2.86Å; E111-Q114 PolarHBondContact O-N 2.86Å; E111-N115 WeakPolarHBondContact O-CB 3.26Å; E111-N115 PolarHBondContact O-N 3.36Å
112	N	96.5	Very high	95.4	Very high	27 Å²	27	90.6 Å²	90.6	14%	0.144	44%	0.44	C	S	.	.	H	α-helix	trans	-58.2	-51.9	177	-72.6	-13.8	0	0	0	111.7	Y50 E54 E108 Q114 N115 L116	Y50-N112 HydrophobicContact CD2-CB 4.06Å; Y50-N112 HydrophobicContact CE2-CB 3.9Å; E54-N112 WeakPolarHBondContact OE1-CB 3.26Å; E54-N112 PolarHBondContact OE1-ND2 2.86Å; E108-N112 VanDerWaalsContact O-CB 3.31Å; E108-N112 WeakPolarHBondContact O-CB 3.27Å; E108-N112 PolarHBondContact O-N 2.84Å; E108-N112 PolarHBondContact O-ND2 3.49Å; E108-N112 PolarHBondContact O-OD1 3.05Å; N112-Q114 VanDerWaalsContact C-N 3.34Å; N112-Q114 PolarHBondContact O-N 2.98Å; N112-N115 PolarHBondContact O-N 2.57Å; N112-L116 PolarHBondContact O-N 2.79Å
113	V	96.5	Very high	95.5	Very high	41 Å²	41	85.2 Å²	85.2	25%	0.248	41%	0.412	C	S	.	.	H	α-helix	trans	-68	-34.9	179.2	70.3	0	0	0	0	111.8	Y50 A109 Q110 N115 L116 R117	Y50-V113 HydrophobicContact CE2-CB 4.21Å; A109-V113 WeakPolarHBondContact O-CG1 3.28Å; A109-V113 PolarHBondContact O-N 3.37Å; Q110-V113 VanDerWaalsContact O-CG1 3.29Å; Q110-V113 WeakPolarHBondContact O-CG1 3.24Å; V113-N115 VanDerWaalsContact C-N 3.34Å; V113-L116 PolarHBondContact O-N 2.78Å; V113-R117 WeakPolarHBondContact O-CG 3.47Å; V113-R117 PolarHBondContact O-N 2.83Å
114	Q	97.4	Very high	95.3	Very high	103 Å²	103	88.2 Å²	88.2	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-37.1	177.6	-174.1	59.2	31.5	0	0	111.7	Q110 E111 N112 R117 S118	Q110-Q114 WeakPolarHBondContact O-CB 3.48Å; Q110-Q114 PolarHBondContact O-N 2.54Å; E111-Q114 PolarHBondContact O-N 2.86Å; N112-Q114 VanDerWaalsContact C-N 3.34Å; N112-Q114 PolarHBondContact O-N 2.98Å; Q114-R117 PolarHBondContact O-N 3Å; Q114-S118 WeakPolarHBondContact O-CB 3.39Å; Q114-S118 PolarHBondContact O-N 3.47Å; Q114-S118 PolarHBondContact O-OG 2.76Å
115	N	96.4	Very high	94.9	Very high	75 Å²	75	86.5 Å²	86.5	40%	0.401	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-46.4	173.7	-177.8	22.6	0	0	0	111.2	E111 N112 V113 R117 S118 R119	E111-N115 WeakPolarHBondContact O-CB 3.26Å; E111-N115 PolarHBondContact O-N 3.36Å; N112-N115 PolarHBondContact O-N 2.57Å; V113-N115 VanDerWaalsContact C-N 3.34Å; N115-R117 PolarHBondContact O-N 2.97Å; N115-S118 PolarHBondContact O-N 3.27Å; N115-R119 WeakPolarHBondContact O-CG 3.4Å; N115-R119 PolarHBondContact O-N 2.99Å; N115-R119 VanDerWaalsContact O-N 3.07Å; N115-R119 PolarHBondContact OD1-NE 3.38Å; N115-R119 VanDerWaalsContact OD1-NE 3.1Å
116	L	97.2	Very high	94.5	Very high	42 Å²	42	82.5 Å²	82.5	22%	0.22	41%	0.406	C	S	.	.	H	α-helix	trans	-58.4	-47.8	175.5	179.6	61.4	0	0	0	111.7	L47 Y50 N112 V113 S118 R119 Y120	L47-L116 HydrophobicContact CD1-CD2 4.42Å; Y50-L116 HydrophobicContact CD1-CD2 3.82Å; Y50-L116 HydrophobicContact CD2-CB 4.23Å; Y50-L116 HydrophobicContact CD2-CD2 4.28Å; Y50-L116 HydrophobicContact CE1-CD2 4.33Å; Y50-L116 HydrophobicContact CG-CB 4.3Å; Y50-L116 HydrophobicContact CG-CD2 3.78Å; N112-L116 PolarHBondContact O-N 2.79Å; V113-L116 PolarHBondContact O-N 2.78Å; L116-S118 PolarHBondContact O-N 2.91Å; L116-R119 PolarHBondContact O-N 2.91Å; L116-Y120 PolarHBondContact O-N 3.06Å
117	R	97.3	Very high	94.2	Very high	157 Å²	157	82.1 Å²	82.1	59%	0.592	40%	0.4	S	S	*	.	H	α-helix	trans	-60.3	-44	178.2	-74.6	175.3	176.5	176.2	-0.8	112.7	V113 Q114 N115 R119 Y120 K121	V113-R117 WeakPolarHBondContact O-CG 3.47Å; V113-R117 PolarHBondContact O-N 2.83Å; Q114-R117 PolarHBondContact O-N 3Å; N115-R117 PolarHBondContact O-N 2.97Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 3.3Å; R117-Y120 PolarHBondContact O-N 2.9Å; R117-K121 WeakPolarHBondContact O-CB 3.47Å; R117-K121 PolarHBondContact O-N 3.48Å
118	S	96.6	Very high	93.9	Very high	51 Å²	51	81.2 Å²	81.2	36%	0.357	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-42.7	178.7	-64.7	0	0	0	0	111.4	Q114 N115 L116 K121 E122	Q114-S118 WeakPolarHBondContact O-CB 3.39Å; Q114-S118 PolarHBondContact O-N 3.47Å; Q114-S118 PolarHBondContact O-OG 2.76Å; N115-S118 PolarHBondContact O-N 3.27Å; L116-S118 PolarHBondContact O-N 2.91Å; S118-K121 WeakPolarHBondContact O-CB 3.39Å; S118-K121 PolarHBondContact O-N 3.32Å; S118-E122 PolarHBondContact O-N 3.03Å
119	R	95.3	Very high	93.7	Very high	78 Å²	78	82.3 Å²	82.3	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-68.6	-39.2	177.5	-69.6	178.6	178.8	-85.3	-0	113.2	Y46 N115 L116 R117 K121 E122	Y46-R119 HydrophobicContact CD1-CB 4.41Å; Y46-R119 HydrophobicContact CD2-CB 3.56Å; Y46-R119 HydrophobicContact CE2-CB 3.77Å; Y46-R119 HydrophobicContact CG-CB 3.9Å; N115-R119 WeakPolarHBondContact O-CG 3.4Å; N115-R119 PolarHBondContact O-N 2.99Å; N115-R119 VanDerWaalsContact O-N 3.07Å; N115-R119 PolarHBondContact OD1-NE 3.38Å; N115-R119 VanDerWaalsContact OD1-NE 3.1Å; L116-R119 PolarHBondContact O-N 2.91Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 3.3Å; R119-K121 VanDerWaalsContact C-N 3.28Å; R119-K121 PolarHBondContact O-N 3.25Å; R119-E122 WeakPolarHBondContact O-CB 3.48Å; R119-E122 PolarHBondContact O-N 3Å
120	Y	95.9	Very high	93.3	Very high	108 Å²	108	85.3 Å²	85.3	42%	0.424	42%	0.417	S	S	.	.	H	α-helix	trans	-58.4	-43.6	171.5	178.4	-88	0	0	0	111.2	L43 L116 R117 E122 E123 E124 L127	L43-Y120 HydrophobicContact CD1-CD2 4.34Å; L43-Y120 HydrophobicContact CD1-CE2 4.31Å; L43-Y120 HydrophobicContact CD2-CD2 3.88Å; L116-Y120 PolarHBondContact O-N 3.06Å; R117-Y120 PolarHBondContact O-N 2.9Å; Y120-E122 PolarHBondContact O-N 3.5Å; Y120-E123 PolarHBondContact O-N 3.42Å; Y120-E124 PolarHBondContact O-N 3.07Å; Y120-E124 VanDerWaalsContact O-N 3.16Å; Y120-L127 HydrophobicContact CD2-CD1 4.49Å; Y120-L127 HydrophobicContact CE1-CD1 4.04Å; Y120-L127 HydrophobicContact CE2-CD1 3.63Å; Y120-L127 WeakPolarHBondContact OH-CD1 3.1Å
121	K	95.2	Very high	92.8	Very high	149 Å²	149	82.9 Å²	82.9	65%	0.648	41%	0.406	S	S	*	.	H	α-helix	trans	-61.8	-28.9	179.2	-169.9	174.6	-177	176	0	113.6	R117 S118 R119 E123 E124	R117-K121 WeakPolarHBondContact O-CB 3.47Å; R117-K121 PolarHBondContact O-N 3.48Å; S118-K121 WeakPolarHBondContact O-CB 3.39Å; S118-K121 PolarHBondContact O-N 3.32Å; R119-K121 VanDerWaalsContact C-N 3.28Å; R119-K121 PolarHBondContact O-N 3.25Å; K121-E123 PolarHBondContact O-N 2.86Å; K121-E124 PolarHBondContact O-N 2.89Å
122	E	93.3	Very high	92.4	Very high	123 Å²	123	77.7 Å²	77.7	58%	0.575	38%	0.382	S	S	*	.	H	α-helix	trans	-65.6	-27.2	174.5	-68.3	168.4	-172.7	0	0	112.3	S118 R119 Y120	S118-E122 PolarHBondContact O-N 3.03Å; R119-E122 WeakPolarHBondContact O-CB 3.48Å; R119-E122 PolarHBondContact O-N 3Å; Y120-E122 PolarHBondContact O-N 3.5Å
123	E	93.3	Very high	92.1	Very high	11 Å²	11	80.4 Å²	80.4	5%	0.051	40%	0.396	C	S	.	.	H	α-helix	trans	-99.3	-10.9	-178.6	-55.5	-61.9	155.1	0	0	113.2	V39 K42 L43 Y46 Y120 K121 A125 H126	V39-E123 HydrophobicContact CG1-CB 3.85Å; V39-E123 HydrophobicContact CG1-CG 4.34Å; K42-E123 HydrophobicContact CD-CG 4.46Å; K42-E123 WeakPolarHBondContact CD-OE1 3.44Å; K42-E123 IonicContact NZ-OE1 3.16Å; K42-E123 PolarHBondContact NZ-OE1 3.43Å; K42-E123 IonicContact NZ-OE2 3.73Å; K42-E123 PolarHBondContact NZ-OE2 2.73Å; L43-E123 HydrophobicContact CD2-CG 4.45Å; Y46-E123 HydrophobicContact CE2-CG 4.07Å; Y46-E123 PolarHBondContact OH-OE1 2.96Å; Y120-E123 PolarHBondContact O-N 3.42Å; K121-E123 PolarHBondContact O-N 2.86Å; E123-A125 PolarHBondContact O-N 2.95Å; E123-H126 PolarHBondContact O-N 2.72Å
124	E	89.6	Confident	91.8	Very high	109 Å²	109	84 Å²	84	51%	0.509	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-53.2	-33.8	-173	-172.6	175.1	-152.2	0	0	113.9	Y120 K121 H126 L127	Y120-E124 PolarHBondContact O-N 3.07Å; Y120-E124 VanDerWaalsContact O-N 3.16Å; K121-E124 PolarHBondContact O-N 2.89Å; E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 3.4Å; E124-L127 PolarHBondContact O-N 2.8Å
125	A	86.4	Confident	91.4	Very high	62 Å²	62	79.2 Å²	79.2	51%	0.512	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-60.9	-35.2	176.2	0	0	0	0	0	112.7	E123	E123-A125 PolarHBondContact O-N 2.95Å
126	H	85.7	Confident	91.2	Very high	88 Å²	88	76.7 Å²	76.7	41%	0.407	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-94	0.1	-174.3	-49.6	100.7	0	0	0	113.4	E23 V39 E123 E124	E23-H126 IonicContact OE1-CD2 3.18Å; V39-H126 HydrophobicContact CG2-CB 3.94Å; E123-H126 PolarHBondContact O-N 2.72Å; E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 3.4Å
127	L	88.8	Confident	91.1	Very high	35 Å²	35	74.9 Å²	74.9	18%	0.183	36%	0.364	C	S	.	.	S	Bend	trans	-80.4	148.3	179.7	-68.9	177.2	0	0	0	111.4	V39 L43 Y120 E124	V39-L127 HydrophobicContact CG1-CD2 3.68Å; L43-L127 HydrophobicContact CD1-CD2 4.14Å; Y120-L127 HydrophobicContact CD2-CD1 4.49Å; Y120-L127 HydrophobicContact CE1-CD1 4.04Å; Y120-L127 HydrophobicContact CE2-CD1 3.63Å; Y120-L127 WeakPolarHBondContact OH-CD1 3.1Å; E124-L127 PolarHBondContact O-N 2.8Å
128	P	89.3	Confident	90.9	Very high	68 Å²	68	70 Å²	70	44%	0.442	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-62	145.4	173.6	26.9	-33.9	0	0	0	110.8	M26 D132	M26-P128 HydrophobicContact CE-CB 4.04Å; M26-P128 HydrophobicContact CE-CG 4.23Å; M26-P128 HydrophobicContact SD-CB 4.24Å; P128-D132 WeakPolarHBondContact CA-OD2 3.3Å; P128-D132 HydrophobicContact CB-CB 3.93Å
129	K	88.9	Confident	90.7	Very high	111 Å²	111	67.6 Å²	67.6	48%	0.483	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-98.1	173.7	177.7	-63.2	174	-177.7	169.2	0	111	E131 D132 L133	K129-E131 HydrophobicContact CB-CG 4.08Å; K129-E131 WeakPolarHBondContact CB-OE1 3.42Å; K129-E131 VanDerWaalsContact CB-OE2 3.26Å; K129-E131 WeakPolarHBondContact CB-OE2 3.33Å; K129-E131 WeakPolarHBondContact CD-OE1 3.38Å; K129-E131 PolarHBondContact O-N 2.92Å; K129-D132 PolarHBondContact N-OD2 3.39Å; K129-D132 WeakPolarHBondContact O-CA 3.37Å; K129-D132 VanDerWaalsContact O-CB 3.31Å; K129-D132 WeakPolarHBondContact O-CB 3.26Å; K129-D132 PolarHBondContact O-N 3.17Å; K129-L133 PolarHBondContact O-N 3Å
130	V	87	Confident	90.7	Very high	97 Å²	97	66 Å²	66	59%	0.588	33%	0.328	S	S	*	.	H	α-helix	trans	-59.6	-35.6	179.6	177.5	0	0	0	0	111.6	D132 L133 R134	V130-D132 PolarHBondContact O-N 3.2Å; V130-L133 PolarHBondContact O-N 3.01Å; V130-R134 WeakPolarHBondContact O-CG 3.18Å; V130-R134 PolarHBondContact O-N 2.94Å
131	E	86.4	Confident	90.7	Very high	84 Å²	84	61.3 Å²	61.3	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-31.7	172.8	58.2	-91.5	-151.3	0	0	113.2	E25 K129 G135	E25-E131 HydrophobicContact CG-CG 4.32Å; K129-E131 HydrophobicContact CB-CG 4.08Å; K129-E131 WeakPolarHBondContact CB-OE1 3.42Å; K129-E131 VanDerWaalsContact CB-OE2 3.26Å; K129-E131 WeakPolarHBondContact CB-OE2 3.33Å; K129-E131 WeakPolarHBondContact CD-OE1 3.38Å; K129-E131 PolarHBondContact O-N 2.92Å; E131-G135 PolarHBondContact O-N 3.37Å
132	D	87.9	Confident	90.6	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-70.6	-42.4	178.2	-65.3	-52.9	0	0	0	111.9	E25 M26 Y27 P128 K129 V130 G135 A136	E25-D132 VanDerWaalsContact CA-OD1 3.22Å; E25-D132 WeakPolarHBondContact CA-OD1 3.29Å; M26-D132 PolarHBondContact N-OD1 2.85Å; Y27-D132 HydrophobicContact CD1-CB 4.34Å; Y27-D132 WeakPolarHBondContact CD1-OD1 3.29Å; Y27-D132 PolarHBondContact N-OD1 2.66Å; P128-D132 WeakPolarHBondContact CA-OD2 3.3Å; P128-D132 HydrophobicContact CB-CB 3.93Å; K129-D132 PolarHBondContact N-OD2 3.39Å; K129-D132 WeakPolarHBondContact O-CA 3.37Å; K129-D132 VanDerWaalsContact O-CB 3.31Å; K129-D132 WeakPolarHBondContact O-CB 3.26Å; K129-D132 PolarHBondContact O-N 3.17Å; V130-D132 PolarHBondContact O-N 3.2Å; D132-G135 PolarHBondContact O-N 3.45Å; D132-A136 WeakPolarHBondContact O-CB 3.05Å; D132-A136 PolarHBondContact O-N 3.42Å
133	L	89.2	Confident	90.7	Very high	83 Å²	83	50.8 Å²	50.8	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-45.5	176.4	-169.2	61.6	0	0	0	111.1	K129 V130 G135 A136 A137 L186	K129-L133 PolarHBondContact O-N 3Å; V130-L133 PolarHBondContact O-N 3.01Å; L133-G135 VanDerWaalsContact C-N 3.35Å; L133-G135 PolarHBondContact O-N 3.41Å; L133-A136 PolarHBondContact O-N 3.2Å; L133-A137 PolarHBondContact O-N 2.82Å; L133-L186 HydrophobicContact CD1-CD2 3.55Å; L133-L186 HydrophobicContact CD2-CD1 3.87Å; L133-L186 HydrophobicContact CD2-CD2 3.66Å; L133-L186 HydrophobicContact CD2-CG 4.39Å; L133-L186 HydrophobicContact CG-CD1 4.22Å; L133-L186 HydrophobicContact CG-CD2 3.6Å; L133-L186 HydrophobicContact CG-CG 4.4Å
134	R	91.1	Very high	90.7	Very high	116 Å²	116	50.4 Å²	50.4	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-42.1	173.9	-74.5	177.7	162.6	174.9	-6.4	112.1	V130 A137 K138 V190 E193	V130-R134 WeakPolarHBondContact O-CG 3.18Å; V130-R134 PolarHBondContact O-N 2.94Å; R134-A137 PolarHBondContact O-N 3.27Å; R134-K138 WeakPolarHBondContact O-CG 3.36Å; R134-K138 PolarHBondContact O-N 3.2Å; R134-V190 HydrophobicContact CG-CG2 4.04Å; R134-E193 IonicContact CZ-OE2 3.75Å; R134-E193 IonicContact NE-OE2 3.84Å; R134-E193 IonicContact NH2-OE2 3.65Å; R134-E193 PolarHBondContact NH2-OE2 3.37Å
135	G	88.8	Confident	90.9	Very high	4 Å²	4	46 Å²	46	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-41.1	177	0	0	0	0	0	113	E131 D132 L133 K138 G139	E131-G135 PolarHBondContact O-N 3.37Å; D132-G135 PolarHBondContact O-N 3.45Å; L133-G135 VanDerWaalsContact C-N 3.35Å; L133-G135 PolarHBondContact O-N 3.41Å; G135-K138 PolarHBondContact O-N 2.98Å; G135-G139 PolarHBondContact O-N 3.29Å
136	A	92.5	Very high	91.2	Very high	22 Å²	22	43.3 Å²	43.3	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-45	174.7	0	0	0	0	0	111.9	D132 L133 K138 G139 L140 I432	D132-A136 WeakPolarHBondContact O-CB 3.05Å; D132-A136 PolarHBondContact O-N 3.42Å; L133-A136 PolarHBondContact O-N 3.2Å; A136-K138 PolarHBondContact O-N 3.19Å; A136-G139 CarbonylContact O-C 3.48Å; A136-G139 WeakPolarHBondContact O-CA 3.25Å; A136-G139 PolarHBondContact O-N 2.93Å; A136-L140 PolarHBondContact O-N 3.04Å; A136-I432 HydrophobicContact CB-CD1 3.86Å
137	A	94.8	Very high	91.5	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-44.7	174.9	0	0	0	0	0	112.2	L133 R134 G139 L140 M141 V187 V190	L133-A137 PolarHBondContact O-N 2.82Å; R134-A137 PolarHBondContact O-N 3.27Å; A137-G139 VanDerWaalsContact C-N 3.26Å; A137-G139 PolarHBondContact O-N 2.83Å; A137-L140 PolarHBondContact O-N 3Å; A137-M141 PolarHBondContact O-N 3.27Å; A137-M141 VanDerWaalsContact O-N 3.1Å; A137-V187 HydrophobicContact CB-CB 4.48Å; A137-V187 HydrophobicContact CB-CG1 4.41Å; A137-V187 HydrophobicContact CB-CG2 4.16Å; A137-V190 HydrophobicContact CB-CB 4.08Å; A137-V190 HydrophobicContact CB-CG1 4.07Å; A137-V190 HydrophobicContact CB-CG2 4.05Å
138	K	92.8	Very high	91.7	Very high	55 Å²	55	40.3 Å²	40.3	24%	0.239	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-37.3	171.1	-74.3	-178.6	173.4	-171	0	112.3	R134 G135 A136 M141 R142 V190 Q194 D385	R134-K138 WeakPolarHBondContact O-CG 3.36Å; R134-K138 PolarHBondContact O-N 3.2Å; G135-K138 PolarHBondContact O-N 2.98Å; A136-K138 PolarHBondContact O-N 3.19Å; K138-M141 HydrophobicContact CB-CE 4.36Å; K138-M141 HydrophobicContact CG-CE 4.02Å; K138-M141 PolarHBondContact O-N 3.06Å; K138-R142 WeakPolarHBondContact O-CB 3.41Å; K138-R142 PolarHBondContact O-N 2.59Å; K138-V190 HydrophobicContact CG-CG1 4.45Å; K138-Q194 VanDerWaalsContact CE-CD 3.48Å; K138-Q194 VanDerWaalsContact CE-OE1 3.25Å; K138-D385 IonicContact NZ-OD1 2.76Å; K138-D385 IonicContact NZ-OD2 2.92Å; K138-D385 PolarHBondContact NZ-OD2 3.44Å
139	G	92.7	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-46.5	173.6	0	0	0	0	0	112.4	G135 A136 A137 R142 L143	G135-G139 PolarHBondContact O-N 3.29Å; A136-G139 CarbonylContact O-C 3.48Å; A136-G139 WeakPolarHBondContact O-CA 3.25Å; A136-G139 PolarHBondContact O-N 2.93Å; A137-G139 VanDerWaalsContact C-N 3.26Å; A137-G139 PolarHBondContact O-N 2.83Å; G139-R142 WeakPolarHBondContact O-CB 3.32Å; G139-R142 PolarHBondContact O-N 3.33Å; G139-L143 WeakPolarHBondContact O-CG 3.41Å; G139-L143 PolarHBondContact O-N 2.85Å
140	L	95.5	Very high	92.2	Very high	45 Å²	45	34.8 Å²	34.8	24%	0.236	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-46.1	176.6	-67.6	177.7	0	0	0	112.2	A136 A137 R142 L143 Q144 V187 W203	A136-L140 PolarHBondContact O-N 3.04Å; A137-L140 PolarHBondContact O-N 3Å; L140-R142 VanDerWaalsContact C-N 3.29Å; L140-R142 PolarHBondContact O-N 2.04Å; L140-L143 PolarHBondContact O-N 3.06Å; L140-L143 VanDerWaalsContact O-N 3.14Å; L140-Q144 PolarHBondContact O-N 3.02Å; L140-V187 HydrophobicContact CD1-CG2 3.91Å; L140-W203 HydrophobicContact CB-CZ2 4.22Å; L140-W203 HydrophobicContact CD1-CH2 4.35Å
141	M	94.9	Very high	92.6	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.049	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-39.9	176	-66.2	-174.4	-71	0	0	111.6	A137 K138 L143 Q144 D145 V187 V190 A191 H199	A137-M141 PolarHBondContact O-N 3.27Å; A137-M141 VanDerWaalsContact O-N 3.1Å; K138-M141 HydrophobicContact CB-CE 4.36Å; K138-M141 HydrophobicContact CG-CE 4.02Å; K138-M141 PolarHBondContact O-N 3.06Å; M141-L143 VanDerWaalsContact C-N 3.35Å; M141-L143 PolarHBondContact O-N 3.11Å; M141-Q144 WeakPolarHBondContact O-CB 3.23Å; M141-Q144 PolarHBondContact O-N 3.27Å; M141-D145 VanDerWaalsContact O-CB 3.28Å; M141-D145 WeakPolarHBondContact O-CB 3.49Å; M141-D145 PolarHBondContact O-N 3.41Å; M141-V187 HydrophobicContact CG-CG1 4.02Å; M141-V190 HydrophobicContact CE-CG1 4.24Å; M141-A191 HydrophobicContact CE-CB 4.45Å; M141-A191 HydrophobicContact SD-CB 3.62Å; M141-H199 HydrophobicContact CG-CB 4.12Å; M141-H199 HydrophobicContact SD-CB 3.49Å; M141-H199 WeakPolarHBondContact SD-CB 3.29Å
142	R	93.2	Very high	93	Very high	41 Å²	41	28.9 Å²	28.9	16%	0.155	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-41.5	174.7	-174	-175.7	-58	135.4	2.4	112.4	K138 G139 L140 D145 V146 I388 G433 H435 P513	K138-R142 WeakPolarHBondContact O-CB 3.41Å; K138-R142 PolarHBondContact O-N 2.59Å; G139-R142 WeakPolarHBondContact O-CB 3.32Å; G139-R142 PolarHBondContact O-N 3.33Å; L140-R142 VanDerWaalsContact C-N 3.29Å; L140-R142 PolarHBondContact O-N 2.04Å; R142-D145 PolarHBondContact O-N 2.6Å; R142-V146 HydrophobicContact CG-CG2 4.23Å; R142-V146 WeakPolarHBondContact O-CB 3.34Å; R142-V146 WeakPolarHBondContact O-CG2 3.43Å; R142-V146 PolarHBondContact O-N 3.4Å; R142-I388 VanDerWaalsContact NH1-CG1 3.26Å; R142-G433 WeakPolarHBondContact CD-O 3.34Å; R142-G433 PolarHBondContact NH1-O 3.44Å; R142-H435 WeakPolarHBondContact CD-ND1 3.27Å; R142-H435 PolarHBondContact NE-CE1 2.87Å; R142-H435 PolarHBondContact NE-ND1 3.13Å; R142-H435 PolarHBondContact NH1-ND1 2.74Å; R142-H435 PolarHBondContact NH2-CE1 2.86Å; R142-P513 HydrophobicContact CG-CG 4.12Å
143	L	94.9	Very high	93.3	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-43.6	177.5	-67.6	175.4	0	0	0	111.5	G139 L140 M141 D145 Y147 L149 P513 V514 L515	G139-L143 WeakPolarHBondContact O-CG 3.41Å; G139-L143 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 3.06Å; L140-L143 VanDerWaalsContact O-N 3.14Å; M141-L143 VanDerWaalsContact C-N 3.35Å; M141-L143 PolarHBondContact O-N 3.11Å; L143-D145 PolarHBondContact O-N 2.82Å; L143-Y147 HydrophobicContact CD2-CD2 4.07Å; L143-Y147 HydrophobicContact CD2-CE2 3.86Å; L143-Y147 WeakPolarHBondContact O-CB 3.26Å; L143-Y147 PolarHBondContact O-N 2.7Å; L143-Y147 VanDerWaalsContact O-N 3.08Å; L143-L149 HydrophobicContact CB-CD1 4.31Å; L143-P513 HydrophobicContact CD2-CB 3.73Å; L143-V514 WeakPolarHBondContact CD2-O 3.28Å; L143-L515 HydrophobicContact CB-CD1 4.2Å; L143-L515 HydrophobicContact CD1-CD1 4.2Å; L143-L515 HydrophobicContact CD2-CD1 3.84Å; L143-L515 HydrophobicContact CG-CD1 4.3Å
144	Q	94.8	Very high	93.5	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-51.3	-48.8	172.8	171.4	-173.8	-8.8	0	0	110.7	L140 M141 S148 L149 V151 H199 Q202	L140-Q144 PolarHBondContact O-N 3.02Å; M141-Q144 WeakPolarHBondContact O-CB 3.23Å; M141-Q144 PolarHBondContact O-N 3.27Å; Q144-S148 CarbonylContact O-C 3.59Å; Q144-S148 WeakPolarHBondContact O-CA 3.34Å; Q144-S148 PolarHBondContact O-N 3.44Å; Q144-L149 PolarHBondContact O-N 2.94Å; Q144-V151 VanDerWaalsContact CD-CG2 3.42Å; Q144-V151 HydrophobicContact CG-CG2 4.21Å; Q144-H199 PolarHBondContact OE1-CD2 3.29Å; Q144-H199 VanDerWaalsContact OE1-CD2 3.32Å; Q144-Q202 VanDerWaalsContact NE2-CD 3.34Å; Q144-Q202 VanDerWaalsContact NE2-OE1 3.07Å
145	D	92.6	Very high	93.7	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-67	-58.7	-177.1	-97.9	-7.8	0	0	0	113.4	M141 R142 L143 Y147 S148 H199 R287 R296	M141-D145 VanDerWaalsContact O-CB 3.28Å; M141-D145 WeakPolarHBondContact O-CB 3.49Å; M141-D145 PolarHBondContact O-N 3.41Å; R142-D145 PolarHBondContact O-N 2.6Å; L143-D145 PolarHBondContact O-N 2.82Å; D145-Y147 VanDerWaalsContact C-N 3.31Å; D145-Y147 PolarHBondContact O-N 3.43Å; D145-S148 PolarHBondContact O-N 3.07Å; D145-H199 VanDerWaalsContact CG-NE2 3.28Å; D145-H199 IonicContact OD1-CE1 2.81Å; D145-H199 IonicContact OD1-NE2 3.03Å; D145-H199 PolarHBondContact OD1-NE2 2.97Å; D145-H199 VanDerWaalsContact OD1-NE2 3.09Å; D145-H199 IonicContact OD2-CE1 2.68Å; D145-H199 PolarHBondContact OD2-CE1 3Å; D145-H199 VanDerWaalsContact OD2-CE1 3.24Å; D145-H199 IonicContact OD2-NE2 3.83Å; D145-H199 PolarHBondContact OD2-NE2 3.29Å; D145-R287 IonicContact OD1-CZ 3Å; D145-R287 IonicContact OD1-NE 3.37Å; D145-R287 PolarHBondContact OD1-NE 3.12Å; D145-R287 IonicContact OD1-NH2 2.68Å; D145-R287 PolarHBondContact OD1-NH2 2.9Å; D145-R287 IonicContact OD2-CZ 2.76Å; D145-R287 IonicContact OD2-NE 3.08Å; D145-R287 PolarHBondContact OD2-NE 3.44Å; D145-R287 IonicContact OD2-NH2 3.35Å; D145-R287 PolarHBondContact OD2-NH2 3.46Å; D145-R296 IonicContact OD2-NH2 3.58Å
146	V	92.9	Very high	93.9	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-66.5	-34.1	-172.7	174.2	0	0	0	0	112	R142 Y299 E300 C303 P513	R142-V146 HydrophobicContact CG-CG2 4.23Å; R142-V146 WeakPolarHBondContact O-CB 3.34Å; R142-V146 WeakPolarHBondContact O-CG2 3.43Å; R142-V146 PolarHBondContact O-N 3.4Å; V146-Y299 HydrophobicContact CG2-CE1 4.29Å; V146-E300 HydrophobicContact CG2-CG 4.19Å; V146-C303 HydrophobicContact CG1-CB 3.49Å; V146-C303 VanDerWaalsContact CG1-CB 3.49Å; V146-P513 HydrophobicContact CB-CG 4.05Å; V146-P513 HydrophobicContact CG1-CG 4.03Å; V146-P513 HydrophobicContact CG2-CG 3.82Å
147	Y	93.6	Very high	93.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	5.4	179.6	-62.5	-73.8	0	0	0	113.6	L143 D145 L149 V170 C303 L304 G472 P513 L515	L143-Y147 HydrophobicContact CD2-CD2 4.07Å; L143-Y147 HydrophobicContact CD2-CE2 3.86Å; L143-Y147 WeakPolarHBondContact O-CB 3.26Å; L143-Y147 PolarHBondContact O-N 2.7Å; L143-Y147 VanDerWaalsContact O-N 3.08Å; D145-Y147 VanDerWaalsContact C-N 3.31Å; D145-Y147 PolarHBondContact O-N 3.43Å; Y147-L149 PolarHBondContact O-N 2.84Å; Y147-V170 HydrophobicContact CD1-CG1 4.29Å; Y147-C303 HydrophobicContact CE1-CB 4.37Å; Y147-L304 HydrophobicContact CD1-CD2 4.35Å; Y147-L304 WeakPolarHBondContact O-CD2 3.38Å; Y147-G472 WeakPolarHBondContact OH-CA 3.38Å; Y147-P513 HydrophobicContact CE2-CB 4.27Å; Y147-P513 PolarHBondContact OH-O 2.98Å; Y147-L515 HydrophobicContact CD1-CD2 4.37Å; Y147-L515 HydrophobicContact CD2-CB 4.38Å; Y147-L515 HydrophobicContact CD2-CD1 3.78Å; Y147-L515 HydrophobicContact CD2-CD2 4.2Å; Y147-L515 HydrophobicContact CD2-CG 4.36Å; Y147-L515 HydrophobicContact CE2-CB 3.93Å; Y147-L515 HydrophobicContact CE2-CD1 4.12Å; Y147-L515 HydrophobicContact CE2-CD2 4.44Å; Y147-L515 HydrophobicContact CE2-CG 4.4Å; Y147-L515 HydrophobicContact CG-CD1 4.41Å; Y147-L515 HydrophobicContact CG-CD2 4.16Å
148	S	92.8	Very high	93.7	Very high	61 Å²	61	27.3 Å²	27.3	43%	0.427	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.1	-178.5	-51.8	0	0	0	0	112.9	Q144 D145 R161	Q144-S148 CarbonylContact O-C 3.59Å; Q144-S148 WeakPolarHBondContact O-CA 3.34Å; Q144-S148 PolarHBondContact O-N 3.44Å; D145-S148 PolarHBondContact O-N 3.07Å; S148-R161 WeakPolarHBondContact O-CA 3.48Å; S148-R161 WeakPolarHBondContact O-CB 3.45Å
149	L	94.4	Very high	93.7	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-73.5	143.5	-175.4	-51	171.3	0	0	0	111	L143 Q144 Y147 L154 F159 Q160 V170 L515	L143-L149 HydrophobicContact CB-CD1 4.31Å; Q144-L149 PolarHBondContact O-N 2.94Å; Y147-L149 PolarHBondContact O-N 2.84Å; L149-L154 HydrophobicContact CD1-CD1 4.32Å; L149-F159 HydrophobicContact CD1-CD1 3.91Å; L149-F159 HydrophobicContact CD2-CB 4.35Å; L149-Q160 CarbonylContact C-O 3.42Å; L149-Q160 VanDerWaalsContact CA-O 3.3Å; L149-Q160 WeakPolarHBondContact CA-O 3.47Å; L149-V170 HydrophobicContact CD2-CB 4.2Å; L149-V170 HydrophobicContact CD2-CG2 3.84Å; L149-L515 HydrophobicContact CD1-CD1 4.08Å
150	Q	94	Very high	93.8	Very high	56 Å²	56	27.5 Å²	27.5	26%	0.262	14%	0.14	S	C	.	.			trans	-79.6	124.2	170.4	-66.3	-177.3	-18.8	0	0	109.9	S152 S153 L154 Q160	Q150-S152 VanDerWaalsContact C-N 3.3Å; Q150-S152 PolarHBondContact O-N 2.74Å; Q150-S153 PolarHBondContact O-N 3.22Å; Q150-S153 VanDerWaalsContact O-N 3.12Å; Q150-S153 PolarHBondContact OE1-OG 2.9Å; Q150-L154 WeakPolarHBondContact O-CB 3.43Å; Q150-L154 PolarHBondContact O-N 3.48Å; Q150-Q160 PolarHBondContact N-O 2.57Å
151	V	95.5	Very high	93.5	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-43.4	179.5	-174.6	0	0	0	0	111	Q144 S153 L154 V155 Q202 W203 E206	Q144-V151 VanDerWaalsContact CD-CG2 3.42Å; Q144-V151 HydrophobicContact CG-CG2 4.21Å; V151-S153 PolarHBondContact O-N 3.16Å; V151-L154 PolarHBondContact O-N 2.93Å; V151-V155 HydrophobicContact CG1-CG1 4.07Å; V151-V155 WeakPolarHBondContact O-CG1 3.28Å; V151-V155 PolarHBondContact O-N 3.12Å; V151-Q202 HydrophobicContact CG2-CB 3.9Å; V151-W203 HydrophobicContact CG1-CD2 3.68Å; V151-W203 HydrophobicContact CG1-CE3 3.76Å; V151-W203 HydrophobicContact CG1-CG 4.2Å; V151-W203 HydrophobicContact CG1-CH2 4.26Å; V151-W203 HydrophobicContact CG1-CZ2 4.17Å; V151-W203 HydrophobicContact CG1-CZ3 4.06Å; V151-E206 HydrophobicContact CB-CG 4.49Å; V151-E206 HydrophobicContact CG1-CG 3.92Å
152	S	94.2	Very high	93.1	Very high	49 Å²	49	31 Å²	31	34%	0.343	16%	0.164	S	C	.	.	H	α-helix	trans	-57.5	-31.4	177.3	59.1	0	0	0	0	114.4	Q150 V155 E206	Q150-S152 VanDerWaalsContact C-N 3.3Å; Q150-S152 PolarHBondContact O-N 2.74Å; S152-V155 VanDerWaalsContact O-CG2 3.29Å; S152-V155 WeakPolarHBondContact O-CG2 3.47Å; S152-E206 WeakPolarHBondContact CB-OE1 3.39Å
153	S	93.4	Very high	92.5	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-82.9	-39.3	174.1	-63.4	0	0	0	0	111.3	Q150 V151 V155 E156 G157 R158 Q160	Q150-S153 PolarHBondContact O-N 3.22Å; Q150-S153 VanDerWaalsContact O-N 3.12Å; Q150-S153 PolarHBondContact OE1-OG 2.9Å; V151-S153 PolarHBondContact O-N 3.16Å; S153-V155 VanDerWaalsContact C-N 3.34Å; S153-V155 PolarHBondContact O-N 3.14Å; S153-E156 CarbonylContact O-C 3.4Å; S153-E156 WeakPolarHBondContact O-CA 3.35Å; S153-E156 PolarHBondContact O-N 3.26Å; S153-G157 PolarHBondContact O-N 3.35Å; S153-R158 CarbonylContact C-O 3.55Å; S153-R158 WeakPolarHBondContact CB-O 3.24Å; S153-R158 WeakPolarHBondContact O-CA 3.1Å; S153-R158 PolarHBondContact O-N 3.39Å; S153-Q160 PolarHBondContact OG-OE1 3.42Å; S153-Q160 VanDerWaalsContact OG-OE1 3.13Å
154	L	93.9	Very high	91.2	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-40.1	-179.6	-174.7	61.6	0	0	0	111.9	L149 Q150 V151 E156 G157 R158 F159 W203	L149-L154 HydrophobicContact CD1-CD1 4.32Å; Q150-L154 WeakPolarHBondContact O-CB 3.43Å; Q150-L154 PolarHBondContact O-N 3.48Å; V151-L154 PolarHBondContact O-N 2.93Å; L154-E156 PolarHBondContact O-N 2.76Å; L154-G157 PolarHBondContact O-N 3.49Å; L154-R158 WeakPolarHBondContact CA-O 3.4Å; L154-R158 PolarHBondContact N-O 3.24Å; L154-F159 HydrophobicContact CD1-CD1 3.84Å; L154-F159 HydrophobicContact CD1-CE1 3.51Å; L154-F159 HydrophobicContact CD1-CZ 3.9Å; L154-W203 HydrophobicContact CD2-CH2 3.76Å; L154-W203 HydrophobicContact CD2-CZ2 3.77Å; L154-W203 HydrophobicContact CG-CH2 4.29Å
155	V	94.8	Very high	90.1	Very high	2 Å²	2	40 Å²	40	1%	0.012	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.3	175.6	-59.2	0	0	0	0	112.7	V151 S152 S153 G157 S178 L179 C184 W203 E206	V151-V155 HydrophobicContact CG1-CG1 4.07Å; V151-V155 WeakPolarHBondContact O-CG1 3.28Å; V151-V155 PolarHBondContact O-N 3.12Å; S152-V155 VanDerWaalsContact O-CG2 3.29Å; S152-V155 WeakPolarHBondContact O-CG2 3.47Å; S153-V155 VanDerWaalsContact C-N 3.34Å; S153-V155 PolarHBondContact O-N 3.14Å; V155-G157 VanDerWaalsContact C-N 3.32Å; V155-S178 CarbonylContact O-C 3.28Å; V155-S178 VanDerWaalsContact O-CA 3.24Å; V155-S178 WeakPolarHBondContact O-CA 3.18Å; V155-L179 HydrophobicContact CB-CB 4.37Å; V155-L179 PolarHBondContact O-N 3.35Å; V155-C184 WeakPolarHBondContact CG1-SG 3.41Å; V155-W203 HydrophobicContact CG1-CE3 4.32Å; V155-W203 HydrophobicContact CG1-CZ3 3.82Å; V155-E206 HydrophobicContact CG1-CB 4.12Å; V155-E206 HydrophobicContact CG1-CG 4.27Å; V155-E206 HydrophobicContact CG2-CG 4.38Å
156	E	92.9	Very high	89.5	Confident	76 Å²	76	41 Å²	41	36%	0.355	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.6	174.4	-61.4	-177.8	-172.4	0	0	112.3	S153 L154 R158 R209	S153-E156 CarbonylContact O-C 3.4Å; S153-E156 WeakPolarHBondContact O-CA 3.35Å; S153-E156 PolarHBondContact O-N 3.26Å; L154-E156 PolarHBondContact O-N 2.76Å; E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 IonicContact OE2-CZ 3.56Å; E156-R158 IonicContact OE2-NH1 3.66Å; E156-R158 PolarHBondContact OE2-NH1 3.34Å; E156-R158 IonicContact OE2-NH2 2.82Å; E156-R158 PolarHBondContact OE2-NH2 3.22Å; E156-R209 IonicContact OE1-NH2 3.32Å
157	G	91.8	Very high	89.2	Confident	7 Å²	7	44.8 Å²	44.8	7%	0.072	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	13.3	-178	0	0	0	0	0	114.4	S153 L154 V155 S176 V177	S153-G157 PolarHBondContact O-N 3.35Å; L154-G157 PolarHBondContact O-N 3.49Å; V155-G157 VanDerWaalsContact C-N 3.32Å; G157-S176 WeakPolarHBondContact CA-OG 3.45Å; G157-S176 PolarHBondContact O-OG 2.8Å; G157-V177 VanDerWaalsContact CA-O 3.22Å; G157-V177 WeakPolarHBondContact CA-O 3.48Å; G157-V177 PolarHBondContact N-O 2.92Å
158	R	92.4	Very high	88.9	Confident	104 Å²	104	48.1 Å²	48.1	39%	0.392	32%	0.318	S	S	.	.			trans	-104.3	127.5	179.2	-60.7	-164.9	-59.6	-86.9	-3.2	111.8	S153 L154 E156 Q160	S153-R158 CarbonylContact C-O 3.55Å; S153-R158 WeakPolarHBondContact CB-O 3.24Å; S153-R158 WeakPolarHBondContact O-CA 3.1Å; S153-R158 PolarHBondContact O-N 3.39Å; L154-R158 WeakPolarHBondContact CA-O 3.4Å; L154-R158 PolarHBondContact N-O 3.24Å; E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 IonicContact OE2-CZ 3.56Å; E156-R158 IonicContact OE2-NH1 3.66Å; E156-R158 PolarHBondContact OE2-NH1 3.34Å; E156-R158 IonicContact OE2-NH2 2.82Å; E156-R158 PolarHBondContact OE2-NH2 3.22Å; R158-Q160 HydrophobicContact CB-CG 4.35Å; R158-Q160 PolarHBondContact O-N 3.1Å
159	F	93.4	Very high	88.7	Confident	29 Å²	29	49.9 Å²	49.9	13%	0.127	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	80.8	-177.3	-67	-97.8	0	0	0	110.2	L149 L154 V170 C171 P173 L515 I516	L149-F159 HydrophobicContact CD1-CD1 3.91Å; L149-F159 HydrophobicContact CD2-CB 4.35Å; L154-F159 HydrophobicContact CD1-CD1 3.84Å; L154-F159 HydrophobicContact CD1-CE1 3.51Å; L154-F159 HydrophobicContact CD1-CZ 3.9Å; F159-V170 WeakPolarHBondContact O-CB 3.33Å; F159-V170 PolarHBondContact O-N 3.45Å; F159-C171 WeakPolarHBondContact CB-SG 3.43Å; F159-P173 HydrophobicContact CD2-CG 4.11Å; F159-P173 HydrophobicContact CE2-CG 3.92Å; F159-L515 HydrophobicContact CD1-CD1 3.72Å; F159-L515 HydrophobicContact CD1-CD2 4.45Å; F159-L515 HydrophobicContact CD1-CG 4.15Å; F159-L515 HydrophobicContact CE1-CD1 3.9Å; F159-L515 HydrophobicContact CE1-CG 4.46Å; F159-I516 HydrophobicContact CE1-CD1 4.25Å; F159-I516 HydrophobicContact CE2-CD1 3.96Å; F159-I516 HydrophobicContact CZ-CD1 3.79Å
160	Q	93.3	Very high	88.4	Confident	30 Å²	30	50.5 Å²	50.5	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.5	-172.4	-74.2	178	-20	0	0	112.2	L149 Q150 S153 R158 V167 I168 D169	L149-Q160 CarbonylContact C-O 3.42Å; L149-Q160 VanDerWaalsContact CA-O 3.3Å; L149-Q160 WeakPolarHBondContact CA-O 3.47Å; Q150-Q160 PolarHBondContact N-O 2.57Å; S153-Q160 PolarHBondContact OG-OE1 3.42Å; S153-Q160 VanDerWaalsContact OG-OE1 3.13Å; R158-Q160 HydrophobicContact CB-CG 4.35Å; R158-Q160 PolarHBondContact O-N 3.1Å; Q160-V167 HydrophobicContact CB-CG1 3.64Å; Q160-V167 HydrophobicContact CG-CG1 3.85Å; Q160-I168 WeakPolarHBondContact CA-O 3.47Å; Q160-D169 WeakPolarHBondContact CG-OD1 3.31Å; Q160-D169 PolarHBondContact NE2-OD1 2.71Å
161	R	90.5	Very high	88.1	Confident	65 Å²	65	48.6 Å²	48.6	25%	0.245	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.8	173.5	68.4	175.7	-175.2	147.2	-0.1	112.4	S148 I168 V170	S148-R161 WeakPolarHBondContact O-CA 3.48Å; S148-R161 WeakPolarHBondContact O-CB 3.45Å; R161-I168 HydrophobicContact CG-CB 4.16Å; R161-I168 PolarHBondContact N-O 2.89Å; R161-I168 PolarHBondContact O-N 2.81Å; R161-V170 HydrophobicContact CB-CG2 4.08Å; R161-V170 HydrophobicContact CG-CG2 3.8Å
162	A	85.3	Confident	87.6	Confident	65 Å²	65	52.4 Å²	52.4	54%	0.537	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.7	169.7	0	0	0	0	0	111
163	S	80.1	Confident	87.2	Confident	57 Å²	57	51.5 Å²	51.5	40%	0.399	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	130.1	168.2	-163.9	0	0	0	0	111.2	G165 G166 I168	S163-G165 PolarHBondContact O-N 3.21Å; S163-G165 VanDerWaalsContact O-N 3.1Å; S163-G166 PolarHBondContact N-O 2.85Å; S163-G166 PolarHBondContact O-N 2.88Å; S163-I168 VanDerWaalsContact CB-CD1 3.5Å
164	G	68.2	Low	86.9	Confident	92 Å²	92	55.9 Å²	55.9	95%	0.948	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	26.8	171.3	0	0	0	0	0	116.1
165	G	73.2	Confident	86.5	Confident	93 Å²	93	60.9 Å²	60.9	96%	0.959	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	2.9	-176.6	0	0	0	0	0	115	S163	S163-G165 PolarHBondContact O-N 3.21Å; S163-G165 VanDerWaalsContact O-N 3.1Å
166	G	79.4	Confident	86.1	Confident	38 Å²	38	64.3 Å²	64.3	39%	0.392	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	175.5	173.1	0	0	0	0	0	113.2	S163	S163-G166 PolarHBondContact N-O 2.85Å; S163-G166 PolarHBondContact O-N 2.88Å
167	V	85.6	Confident	86	Confident	84 Å²	84	65.6 Å²	65.6	51%	0.509	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132	175.4	-177.5	0	0	0	0	108.4	Q160	Q160-V167 HydrophobicContact CB-CG1 3.64Å; Q160-V167 HydrophobicContact CG-CG1 3.85Å
168	I	88.5	Confident	86	Confident	70 Å²	70	69.4 Å²	69.4	36%	0.359	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.1	177.8	-59	179.9	0	0	0	108.5	Q160 R161 S163 V170	Q160-I168 WeakPolarHBondContact CA-O 3.47Å; R161-I168 HydrophobicContact CG-CB 4.16Å; R161-I168 PolarHBondContact N-O 2.89Å; R161-I168 PolarHBondContact O-N 2.81Å; S163-I168 VanDerWaalsContact CB-CD1 3.5Å; I168-V170 PolarHBondContact O-N 3.05Å
169	D	88.8	Confident	86.1	Confident	98 Å²	98	66.5 Å²	66.5	52%	0.524	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.4	168.7	-67	-45	0	0	0	109.8	Q160	Q160-D169 WeakPolarHBondContact CG-OD1 3.31Å; Q160-D169 PolarHBondContact NE2-OD1 2.71Å
170	V	87.8	Confident	86.1	Confident	19 Å²	19	67.3 Å²	67.3	12%	0.115	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-42.1	175.2	-178.4	0	0	0	0	110.1	Y147 L149 F159 R161 I168 Q306 L515	Y147-V170 HydrophobicContact CD1-CG1 4.29Å; L149-V170 HydrophobicContact CD2-CB 4.2Å; L149-V170 HydrophobicContact CD2-CG2 3.84Å; F159-V170 WeakPolarHBondContact O-CB 3.33Å; F159-V170 PolarHBondContact O-N 3.45Å; R161-V170 HydrophobicContact CB-CG2 4.08Å; R161-V170 HydrophobicContact CG-CG2 3.8Å; I168-V170 PolarHBondContact O-N 3.05Å; V170-Q306 PolarHBondContact O-NE2 3.35Å; V170-L515 HydrophobicContact CG1-CD2 3.69Å
171	C	87.5	Confident	86.1	Confident	17 Å²	17	66.2 Å²	66.2	12%	0.115	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	166.7	171.7	63	0	0	0	0	110.9	F159 A471 L515	F159-C171 WeakPolarHBondContact CB-SG 3.43Å; C171-A471 HydrophobicContact CB-CB 3.56Å; C171-L515 HydrophobicContact CB-CD2 4.46Å; C171-L515 WeakPolarHBondContact SG-CD2 3.24Å
172	S	85.3	Confident	86.3	Confident	87 Å²	87	64.2 Å²	64.2	61%	0.608	46%	0.461	S	S	*	.			trans	-134.5	97.2	178.5	-57.3	0	0	0	0	109.5
173	P	86	Confident	86.8	Confident	30 Å²	30	64.3 Å²	64.3	20%	0.195	45%	0.452	C	S	.	.			trans	-65.8	149.7	-177.2	29	-35.8	0	0	0	111.2	F159 V175 I516	F159-P173 HydrophobicContact CD2-CG 4.11Å; F159-P173 HydrophobicContact CE2-CG 3.92Å; P173-V175 PolarHBondContact O-N 3.16Å; P173-I516 HydrophobicContact CB-CD1 4.14Å; P173-I516 HydrophobicContact CB-CG2 4.49Å
174	A	85.2	Confident	87.6	Confident	99 Å²	99	61.6 Å²	61.6	82%	0.818	43%	0.433	S	S	*	.	S	Bend	trans	-61.1	-27.9	177.1	0	0	0	0	0	113.4
175	V	85.7	Confident	89	Confident	117 Å²	117	57.7 Å²	57.7	71%	0.709	39%	0.39	S	S	*	.	S	Bend	trans	-125.3	124.5	176.5	-178	0	0	0	0	108.3	P173	P173-V175 PolarHBondContact O-N 3.16Å
176	S	87.4	Confident	90.1	Very high	74 Å²	74	55.4 Å²	55.4	52%	0.517	36%	0.356	S	S	.	.			trans	-104.5	135.1	176.4	-170	0	0	0	0	109.7	G157	G157-S176 WeakPolarHBondContact CA-OG 3.45Å; G157-S176 PolarHBondContact O-OG 2.8Å
177	V	90.1	Very high	90.9	Very high	103 Å²	103	53.9 Å²	53.9	62%	0.624	34%	0.339	S	S	*	.			trans	-126.3	135.4	173.7	177.2	0	0	0	0	107.7	G157	G157-V177 VanDerWaalsContact CA-O 3.22Å; G157-V177 WeakPolarHBondContact CA-O 3.48Å; G157-V177 PolarHBondContact N-O 2.92Å
178	S	92.9	Very high	91.5	Very high	86 Å²	86	49.9 Å²	49.9	60%	0.601	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-92.4	143.2	171.9	55.7	0	0	0	0	110.5	V155	V155-S178 CarbonylContact O-C 3.28Å; V155-S178 VanDerWaalsContact O-CA 3.24Å; V155-S178 WeakPolarHBondContact O-CA 3.18Å
179	L	94.1	Very high	91.9	Very high	43 Å²	43	49.8 Å²	49.8	23%	0.225	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-86	142.5	173.3	-60.9	-177.3	0	0	0	110.4	V155 D183 W203 L210	V155-L179 HydrophobicContact CB-CB 4.37Å; V155-L179 PolarHBondContact O-N 3.35Å; L179-D183 HydrophobicContact CB-CB 3.89Å; L179-D183 HydrophobicContact CD2-CB 4.12Å; L179-D183 HydrophobicContact CG-CB 4.44Å; L179-W203 HydrophobicContact CD1-CH2 4.12Å; L179-W203 HydrophobicContact CD1-CZ3 3.77Å; L179-L210 WeakPolarHBondContact O-CD1 3.41Å
180	S	93.6	Very high	92.2	Very high	47 Å²	47	45.3 Å²	45.3	33%	0.329	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-78.6	172.8	172.9	70.4	0	0	0	0	111.9	D182 D183 C184	S180-D182 PolarHBondContact O-N 3.18Å; S180-D182 PolarHBondContact OG-N 3.49Å; S180-D183 WeakPolarHBondContact CB-OD2 3.37Å; S180-D183 PolarHBondContact N-OD2 3.35Å; S180-D183 PolarHBondContact O-N 3.25Å; S180-D183 PolarHBondContact OG-N 2.87Å; S180-D183 VanDerWaalsContact OG-N 3.13Å; S180-D183 PolarHBondContact OG-OD2 2.92Å; S180-C184 PolarHBondContact O-N 3.23Å; S180-C184 VanDerWaalsContact O-N 3.13Å; S180-C184 PolarHBondContact O-SG 3.36Å
181	G	93.9	Very high	92.6	Very high	7 Å²	7	44.4 Å²	44.4	7%	0.072	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-34.5	171.5	0	0	0	0	0	112.5	F185 S207 F211	G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 2.85Å; G181-S207 WeakPolarHBondContact O-CB 3.47Å; G181-S207 PolarHBondContact O-OG 3.47Å; G181-F211 VanDerWaalsContact C-CZ 3.4Å; G181-F211 WeakPolarHBondContact O-CE2 3.25Å
182	D	94.2	Very high	93	Very high	22 Å²	22	46 Å²	46	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-71.1	-43.5	178.2	-168.3	50.1	0	0	0	112.1	S180 C184 F185 L186 F211 N222 E223 G224	S180-D182 PolarHBondContact O-N 3.18Å; S180-D182 PolarHBondContact OG-N 3.49Å; D182-C184 VanDerWaalsContact C-N 3.3Å; D182-C184 PolarHBondContact O-N 2.89Å; D182-F185 WeakPolarHBondContact O-CB 3.28Å; D182-F185 PolarHBondContact O-N 2.94Å; D182-F185 VanDerWaalsContact O-N 3.1Å; D182-L186 PolarHBondContact O-N 3.45Å; D182-F211 HydrophobicContact CB-CZ 4.13Å; D182-N222 HydrophobicContact CB-CB 4.12Å; D182-N222 WeakPolarHBondContact OD2-CA 3.3Å; D182-E223 PolarHBondContact OD1-N 3.35Å; D182-E223 PolarHBondContact OD2-N 3.12Å; D182-E223 VanDerWaalsContact OD2-N 3.16Å; D182-G224 VanDerWaalsContact OD1-CA 3.29Å; D182-G224 WeakPolarHBondContact OD1-CA 3.32Å; D182-G224 PolarHBondContact OD1-N 3.24Å
183	D	95.2	Very high	93.5	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-57.8	-45	174.2	-63.7	-53.9	0	0	0	111.3	L179 S180 L186 V187	L179-D183 HydrophobicContact CB-CB 3.89Å; L179-D183 HydrophobicContact CD2-CB 4.12Å; L179-D183 HydrophobicContact CG-CB 4.44Å; S180-D183 WeakPolarHBondContact CB-OD2 3.37Å; S180-D183 PolarHBondContact N-OD2 3.35Å; S180-D183 PolarHBondContact O-N 3.25Å; S180-D183 PolarHBondContact OG-N 2.87Å; S180-D183 VanDerWaalsContact OG-N 3.13Å; S180-D183 PolarHBondContact OG-OD2 2.92Å; D183-L186 PolarHBondContact O-N 2.98Å; D183-V187 WeakPolarHBondContact O-CG2 3.03Å; D183-V187 PolarHBondContact O-N 2.87Å
184	C	96.9	Very high	93.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-38.3	177.3	-62.9	0	0	0	0	111.6	V155 S180 D182 L186 V187 G188 W203	V155-C184 WeakPolarHBondContact CG1-SG 3.41Å; S180-C184 PolarHBondContact O-N 3.23Å; S180-C184 VanDerWaalsContact O-N 3.13Å; S180-C184 PolarHBondContact O-SG 3.36Å; D182-C184 VanDerWaalsContact C-N 3.3Å; D182-C184 PolarHBondContact O-N 2.89Å; C184-L186 VanDerWaalsContact C-N 3.35Å; C184-V187 PolarHBondContact O-N 3.3Å; C184-G188 PolarHBondContact O-N 3.05Å; C184-W203 HydrophobicContact CB-CE3 4.35Å
185	F	96.9	Very high	94.1	Very high	10 Å²	10	51 Å²	51	4%	0.044	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-46.8	176.3	176.7	-113.8	0	0	0	110.8	G181 D182 V187 G188 K189 L204 S207 F211 D228 A229 H232	G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 2.85Å; D182-F185 WeakPolarHBondContact O-CB 3.28Å; D182-F185 PolarHBondContact O-N 2.94Å; D182-F185 VanDerWaalsContact O-N 3.1Å; F185-V187 PolarHBondContact O-N 3.31Å; F185-G188 CarbonylContact O-C 3.55Å; F185-G188 PolarHBondContact O-N 3.34Å; F185-K189 HydrophobicContact CE1-CD 3.96Å; F185-K189 HydrophobicContact CZ-CB 4.45Å; F185-K189 HydrophobicContact CZ-CD 4.07Å; F185-K189 WeakPolarHBondContact O-CB 3Å; F185-K189 PolarHBondContact O-N 3.07Å; F185-L204 HydrophobicContact CD2-CD2 3.62Å; F185-L204 HydrophobicContact CE2-CD2 4.12Å; F185-S207 WeakPolarHBondContact CB-OG 3.13Å; F185-S207 PolarHBondContact N-OG 3.11Å; F185-F211 HydrophobicContact CB-CE2 4.19Å; F185-D228 HydrophobicContact CE1-CB 4.19Å; F185-D228 HydrophobicContact CE2-CB 3.9Å; F185-D228 HydrophobicContact CZ-CB 3.58Å; F185-A229 HydrophobicContact CD2-CB 3.83Å; F185-A229 HydrophobicContact CE2-CB 4.37Å; F185-H232 HydrophobicContact CE2-CB 4.44Å; F185-H232 AromaticContact CE2-ND1 3.72Å; F185-H232 AromaticContact CZ-CE1 3.88Å; F185-H232 AromaticContact CZ-ND1 3.9Å
186	L	96.3	Very high	94.5	Very high	44 Å²	44	47 Å²	47	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-48.7	178.1	173.3	67.9	0	0	0	112	L133 D182 D183 C184 G188 K189 V190	L133-L186 HydrophobicContact CD1-CD2 3.55Å; L133-L186 HydrophobicContact CD2-CD1 3.87Å; L133-L186 HydrophobicContact CD2-CD2 3.66Å; L133-L186 HydrophobicContact CD2-CG 4.39Å; L133-L186 HydrophobicContact CG-CD1 4.22Å; L133-L186 HydrophobicContact CG-CD2 3.6Å; L133-L186 HydrophobicContact CG-CG 4.4Å; D182-L186 PolarHBondContact O-N 3.45Å; D183-L186 PolarHBondContact O-N 2.98Å; C184-L186 VanDerWaalsContact C-N 3.35Å; L186-G188 PolarHBondContact O-N 2.96Å; L186-K189 PolarHBondContact O-N 2.63Å; L186-V190 HydrophobicContact CD1-CG2 4.48Å; L186-V190 WeakPolarHBondContact O-CG2 3.09Å; L186-V190 PolarHBondContact O-N 3.13Å
187	V	97.3	Very high	94.9	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-45.6	177.8	-177.9	0	0	0	0	110.7	A137 L140 M141 D183 C184 F185 K189 V190 A191 W203	A137-V187 HydrophobicContact CB-CB 4.48Å; A137-V187 HydrophobicContact CB-CG1 4.41Å; A137-V187 HydrophobicContact CB-CG2 4.16Å; L140-V187 HydrophobicContact CD1-CG2 3.91Å; M141-V187 HydrophobicContact CG-CG1 4.02Å; D183-V187 WeakPolarHBondContact O-CG2 3.03Å; D183-V187 PolarHBondContact O-N 2.87Å; C184-V187 PolarHBondContact O-N 3.3Å; F185-V187 PolarHBondContact O-N 3.31Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 2.68Å; V187-V190 PolarHBondContact O-N 2.96Å; V187-A191 PolarHBondContact O-N 3.26Å; V187-A191 VanDerWaalsContact O-N 3.08Å; V187-W203 HydrophobicContact CB-CD2 3.86Å; V187-W203 HydrophobicContact CB-CE3 3.94Å; V187-W203 HydrophobicContact CB-CG 4.12Å; V187-W203 HydrophobicContact CB-CZ3 4.45Å; V187-W203 HydrophobicContact CG1-CB 4.46Å; V187-W203 HydrophobicContact CG1-CD2 3.5Å; V187-W203 HydrophobicContact CG1-CE3 4.05Å; V187-W203 HydrophobicContact CG1-CG 3.68Å; V187-W203 HydrophobicContact CG1-CZ2 4.11Å; V187-W203 HydrophobicContact CG2-CE3 4.33Å; V187-W203 HydrophobicContact CG2-CZ3 4.37Å
188	G	97.7	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-36	177.9	0	0	0	0	0	113.9	C184 F185 L186 A191 Y192 S200	C184-G188 PolarHBondContact O-N 3.05Å; F185-G188 CarbonylContact O-C 3.55Å; F185-G188 PolarHBondContact O-N 3.34Å; L186-G188 PolarHBondContact O-N 2.96Å; G188-A191 WeakPolarHBondContact O-CB 3.37Å; G188-A191 PolarHBondContact O-N 2.97Å; G188-Y192 WeakPolarHBondContact O-CB 3.12Å; G188-Y192 PolarHBondContact O-N 3.1Å; G188-S200 PolarHBondContact O-OG 3.4Å
189	K	97.1	Very high	95.3	Very high	68 Å²	68	38.6 Å²	38.6	30%	0.296	19%	0.188	S	C	.	.	H	α-helix	trans	-69.8	-42	175.3	-179.1	-178.2	175.3	-175.5	0	111.5	F185 L186 V187 A191 Y192 E193	F185-K189 HydrophobicContact CE1-CD 3.96Å; F185-K189 HydrophobicContact CZ-CB 4.45Å; F185-K189 HydrophobicContact CZ-CD 4.07Å; F185-K189 WeakPolarHBondContact O-CB 3Å; F185-K189 PolarHBondContact O-N 3.07Å; L186-K189 PolarHBondContact O-N 2.63Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 2.68Å; K189-A191 VanDerWaalsContact C-N 3.28Å; K189-A191 PolarHBondContact O-N 3.23Å; K189-Y192 WeakPolarHBondContact O-CB 3.39Å; K189-Y192 PolarHBondContact O-N 3.02Å; K189-E193 WeakPolarHBondContact CE-OE1 3.5Å; K189-E193 WeakPolarHBondContact O-CG 3.47Å; K189-E193 PolarHBondContact O-N 3.46Å
190	V	96	Very high	95.4	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-39.6	174.2	170.2	0	0	0	0	111.3	R134 A137 K138 M141 L186 V187 Q194	R134-V190 HydrophobicContact CG-CG2 4.04Å; A137-V190 HydrophobicContact CB-CB 4.08Å; A137-V190 HydrophobicContact CB-CG1 4.07Å; A137-V190 HydrophobicContact CB-CG2 4.05Å; K138-V190 HydrophobicContact CG-CG1 4.45Å; M141-V190 HydrophobicContact CE-CG1 4.24Å; L186-V190 HydrophobicContact CD1-CG2 4.48Å; L186-V190 WeakPolarHBondContact O-CG2 3.09Å; L186-V190 PolarHBondContact O-N 3.13Å; V187-V190 PolarHBondContact O-N 2.96Å; V190-Q194 WeakPolarHBondContact O-CG 3.07Å; V190-Q194 PolarHBondContact O-N 2.85Å; V190-Q194 PolarHBondContact O-NE2 3.2Å
191	A	95.7	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-45.1	173.6	0	0	0	0	0	112	M141 V187 G188 K189 E193 Q194 E195 D196 H199	M141-A191 HydrophobicContact CE-CB 4.45Å; M141-A191 HydrophobicContact SD-CB 3.62Å; V187-A191 PolarHBondContact O-N 3.26Å; V187-A191 VanDerWaalsContact O-N 3.08Å; G188-A191 WeakPolarHBondContact O-CB 3.37Å; G188-A191 PolarHBondContact O-N 2.97Å; K189-A191 VanDerWaalsContact C-N 3.28Å; K189-A191 PolarHBondContact O-N 3.23Å; A191-E193 PolarHBondContact O-N 3.24Å; A191-Q194 CarbonylContact O-C 3.48Å; A191-Q194 PolarHBondContact O-N 3.28Å; A191-Q194 VanDerWaalsContact O-N 3.14Å; A191-E195 PolarHBondContact O-N 2.89Å; A191-D196 HydrophobicContact CB-CB 4.43Å; A191-D196 PolarHBondContact O-N 2.96Å; A191-H199 HydrophobicContact CB-CB 3.79Å
192	Y	96.3	Very high	95.8	Very high	51 Å²	51	36.1 Å²	36.1	20%	0.2	17%	0.169	C	C	.	.	H	α-helix	trans	-56.1	-48.9	176.9	177	-88.1	0	0	0	112.2	G188 K189 Q194 E195 Y197 S200 H232 F235	G188-Y192 WeakPolarHBondContact O-CB 3.12Å; G188-Y192 PolarHBondContact O-N 3.1Å; K189-Y192 WeakPolarHBondContact O-CB 3.39Å; K189-Y192 PolarHBondContact O-N 3.02Å; Y192-Q194 PolarHBondContact O-N 3.49Å; Y192-E195 PolarHBondContact O-N 3.36Å; Y192-Y197 HydrophobicContact CD2-CE1 4.13Å; Y192-Y197 HydrophobicContact CE2-CE1 4.31Å; Y192-S200 WeakPolarHBondContact CB-OG 2.92Å; Y192-H232 AromaticContact CD1-CD2 3.76Å; Y192-H232 HydrophobicContact CD2-CB 4.36Å; Y192-H232 AromaticContact CE1-CD2 3.92Å; Y192-H232 AromaticContact CG-CD2 3.89Å; Y192-F235 HydrophobicContact CD2-CD1 4.43Å; Y192-F235 HydrophobicContact CE2-CB 4.09Å; Y192-F235 AromaticContact CE2-CD1 3.37Å; Y192-F235 HydrophobicContact CE2-CD1 3.37Å; Y192-F235 HydrophobicContact CE2-CE1 4.09Å; Y192-F235 HydrophobicContact CE2-CG 4.07Å; Y192-F235 AromaticContact CZ-CD1 3.76Å; Y192-F235 WeakPolarHBondContact OH-CD1 3.47Å
193	E	94.8	Very high	96	Very high	96 Å²	96	35.1 Å²	35.1	45%	0.449	16%	0.163	S	C	.	.	H	α-helix	trans	-62.9	-23	-180	-73.2	178.4	178.1	0	0	112.6	R134 K189 A191	R134-E193 IonicContact CZ-OE2 3.75Å; R134-E193 IonicContact NE-OE2 3.84Å; R134-E193 IonicContact NH2-OE2 3.65Å; R134-E193 PolarHBondContact NH2-OE2 3.37Å; K189-E193 WeakPolarHBondContact CE-OE1 3.5Å; K189-E193 WeakPolarHBondContact O-CG 3.47Å; K189-E193 PolarHBondContact O-N 3.46Å; A191-E193 PolarHBondContact O-N 3.24Å
194	Q	91.3	Very high	96.1	Very high	90 Å²	90	31.9 Å²	31.9	42%	0.421	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.3	175.9	-69.8	171.9	51.7	0	0	113.2	K138 V190 A191 Y192 D196	K138-Q194 VanDerWaalsContact CE-CD 3.48Å; K138-Q194 VanDerWaalsContact CE-OE1 3.25Å; V190-Q194 WeakPolarHBondContact O-CG 3.07Å; V190-Q194 PolarHBondContact O-N 2.85Å; V190-Q194 PolarHBondContact O-NE2 3.2Å; A191-Q194 CarbonylContact O-C 3.48Å; A191-Q194 PolarHBondContact O-N 3.28Å; A191-Q194 VanDerWaalsContact O-N 3.14Å; Y192-Q194 PolarHBondContact O-N 3.49Å; Q194-D196 PolarHBondContact O-N 3.46Å
195	E	93.4	Very high	96.2	Very high	135 Å²	135	35.3 Å²	35.3	63%	0.631	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	20.7	-172.7	-53.6	-170.9	-163	0	0	113.9	A191 Y192 Y197	A191-E195 PolarHBondContact O-N 2.89Å; Y192-E195 PolarHBondContact O-N 3.36Å; E195-Y197 VanDerWaalsContact C-N 3.31Å; E195-Y197 HydrophobicContact CB-CE2 3.8Å; E195-Y197 HydrophobicContact CG-CE2 4.45Å; E195-Y197 WeakPolarHBondContact O-CD2 3.21Å; E195-Y197 WeakPolarHBondContact O-CE2 3.4Å; E195-Y197 PolarHBondContact O-N 3.44Å; E195-Y197 VanDerWaalsContact O-N 3.1Å
196	D	93.4	Very high	96.2	Very high	34 Å²	34	36.1 Å²	36.1	18%	0.182	17%	0.166	C	C	.	.			trans	-85.8	75.2	172.4	-169.2	-19.8	0	0	0	110	A191 Q194 Y198 H199 S200	A191-D196 HydrophobicContact CB-CB 4.43Å; A191-D196 PolarHBondContact O-N 2.96Å; Q194-D196 PolarHBondContact O-N 3.46Å; D196-Y198 PolarHBondContact O-N 3.05Å; D196-Y198 WeakPolarHBondContact OD1-CB 3.44Å; D196-Y198 PolarHBondContact OD1-N 3.34Å; D196-H199 VanDerWaalsContact CG-ND1 3.26Å; D196-H199 PolarHBondContact O-N 3.08Å; D196-H199 IonicContact OD1-CG 3.7Å; D196-H199 PolarHBondContact OD1-N 2.87Å; D196-H199 VanDerWaalsContact OD1-N 3.12Å; D196-H199 IonicContact OD1-ND1 2.83Å; D196-H199 PolarHBondContact OD1-ND1 2.95Å; D196-H199 IonicContact OD2-CE1 2.63Å; D196-H199 IonicContact OD2-CG 3.68Å; D196-H199 IonicContact OD2-ND1 3.99Å; D196-H199 PolarHBondContact OD2-ND1 3.16Å; D196-S200 VanDerWaalsContact O-CB 3.29Å; D196-S200 WeakPolarHBondContact O-CB 3.46Å; D196-S200 PolarHBondContact O-N 3.06Å
197	Y	95.3	Very high	96.2	Very high	33 Å²	33	34 Å²	34	13%	0.129	16%	0.155	C	C	.	.	H	α-helix	trans	-69.5	-12.1	-179.1	-53.9	-71	0	0	0	113.3	Y192 E195 V201 F235 K239	Y192-Y197 HydrophobicContact CD2-CE1 4.13Å; Y192-Y197 HydrophobicContact CE2-CE1 4.31Å; E195-Y197 VanDerWaalsContact C-N 3.31Å; E195-Y197 HydrophobicContact CB-CE2 3.8Å; E195-Y197 HydrophobicContact CG-CE2 4.45Å; E195-Y197 WeakPolarHBondContact O-CD2 3.21Å; E195-Y197 WeakPolarHBondContact O-CE2 3.4Å; E195-Y197 PolarHBondContact O-N 3.44Å; E195-Y197 VanDerWaalsContact O-N 3.1Å; Y197-V201 WeakPolarHBondContact O-CB 3.33Å; Y197-V201 VanDerWaalsContact O-CG2 3.25Å; Y197-V201 WeakPolarHBondContact O-CG2 3.42Å; Y197-V201 PolarHBondContact O-N 3.14Å; Y197-F235 HydrophobicContact CE1-CD1 4.06Å; Y197-F235 HydrophobicContact CE1-CE1 4Å; Y197-K239 HydrophobicContact CD1-CB 3.87Å; Y197-K239 HydrophobicContact CD1-CG 4.09Å; Y197-K239 HydrophobicContact CD2-CB 3.65Å; Y197-K239 HydrophobicContact CD2-CG 4.13Å; Y197-K239 HydrophobicContact CE1-CB 4.05Å; Y197-K239 HydrophobicContact CE1-CG 3.75Å; Y197-K239 HydrophobicContact CE2-CB 3.87Å; Y197-K239 HydrophobicContact CE2-CD 3.96Å; Y197-K239 HydrophobicContact CE2-CG 3.81Å; Y197-K239 HydrophobicContact CG-CB 3.66Å; Y197-K239 HydrophobicContact CG-CG 4.27Å; Y197-K239 WeakPolarHBondContact OH-CE 3.45Å
198	Y	94.9	Very high	96.2	Very high	48 Å²	48	33.8 Å²	33.8	19%	0.188	15%	0.154	C	C	.	.	H	α-helix	trans	-72	-48	173.6	166.3	-96.6	0	0	0	111.1	D196 Q202 L285 R287	D196-Y198 PolarHBondContact O-N 3.05Å; D196-Y198 WeakPolarHBondContact OD1-CB 3.44Å; D196-Y198 PolarHBondContact OD1-N 3.34Å; Y198-Q202 VanDerWaalsContact CE1-NE2 3.32Å; Y198-Q202 PolarHBondContact O-NE2 2.85Å; Y198-L285 HydrophobicContact CD2-CB 4.43Å; Y198-L285 HydrophobicContact CD2-CD2 3.52Å; Y198-L285 HydrophobicContact CD2-CG 3.79Å; Y198-L285 HydrophobicContact CE2-CD2 3.99Å; Y198-L285 HydrophobicContact CE2-CG 4.48Å; Y198-L285 HydrophobicContact CG-CD2 4.22Å; Y198-L285 VanDerWaalsContact O-CD2 3.3Å; Y198-L285 WeakPolarHBondContact O-CD2 3.41Å; Y198-R287 HydrophobicContact CD1-CB 4.17Å; Y198-R287 HydrophobicContact CD1-CG 3.97Å; Y198-R287 HydrophobicContact CD2-CB 4.11Å; Y198-R287 HydrophobicContact CE1-CB 4.08Å; Y198-R287 HydrophobicContact CE1-CG 3.88Å; Y198-R287 HydrophobicContact CE2-CB 4.03Å; Y198-R287 HydrophobicContact CG-CB 4.2Å; Y198-R287 HydrophobicContact CG-CG 4.44Å
199	H	96.4	Very high	96.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-73.4	-39.7	173.9	-70.7	108.1	0	0	0	111.3	M141 Q144 D145 A191 D196 V201 Q202 W203	M141-H199 HydrophobicContact CG-CB 4.12Å; M141-H199 HydrophobicContact SD-CB 3.49Å; M141-H199 WeakPolarHBondContact SD-CB 3.29Å; Q144-H199 PolarHBondContact OE1-CD2 3.29Å; Q144-H199 VanDerWaalsContact OE1-CD2 3.32Å; D145-H199 VanDerWaalsContact CG-NE2 3.28Å; D145-H199 IonicContact OD1-CE1 2.81Å; D145-H199 IonicContact OD1-NE2 3.03Å; D145-H199 PolarHBondContact OD1-NE2 2.97Å; D145-H199 VanDerWaalsContact OD1-NE2 3.09Å; D145-H199 IonicContact OD2-CE1 2.68Å; D145-H199 PolarHBondContact OD2-CE1 3Å; D145-H199 VanDerWaalsContact OD2-CE1 3.24Å; D145-H199 IonicContact OD2-NE2 3.83Å; D145-H199 PolarHBondContact OD2-NE2 3.29Å; A191-H199 HydrophobicContact CB-CB 3.79Å; D196-H199 VanDerWaalsContact CG-ND1 3.26Å; D196-H199 PolarHBondContact O-N 3.08Å; D196-H199 IonicContact OD1-CG 3.7Å; D196-H199 PolarHBondContact OD1-N 2.87Å; D196-H199 VanDerWaalsContact OD1-N 3.12Å; D196-H199 IonicContact OD1-ND1 2.83Å; D196-H199 PolarHBondContact OD1-ND1 2.95Å; D196-H199 IonicContact OD2-CE1 2.63Å; D196-H199 IonicContact OD2-CG 3.68Å; D196-H199 IonicContact OD2-ND1 3.99Å; D196-H199 PolarHBondContact OD2-ND1 3.16Å; H199-V201 PolarHBondContact O-N 2.86Å; H199-Q202 PolarHBondContact O-N 2.98Å; H199-W203 PolarHBondContact O-N 2.86Å
200	S	97.6	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-48.1	-177.8	-168.4	0	0	0	0	112.2	G188 Y192 D196 Q202 L204 S236	G188-S200 PolarHBondContact O-OG 3.4Å; Y192-S200 WeakPolarHBondContact CB-OG 2.92Å; D196-S200 VanDerWaalsContact O-CB 3.29Å; D196-S200 WeakPolarHBondContact O-CB 3.46Å; D196-S200 PolarHBondContact O-N 3.06Å; S200-Q202 PolarHBondContact O-N 3.07Å; S200-L204 WeakPolarHBondContact O-CB 3.39Å; S200-L204 WeakPolarHBondContact O-CD1 3.28Å; S200-L204 WeakPolarHBondContact O-CG 3.46Å; S200-L204 PolarHBondContact O-N 3.19Å; S200-L204 VanDerWaalsContact OG-CD1 3.22Å; S200-L204 WeakPolarHBondContact OG-CD1 3.44Å; S200-S236 PolarHBondContact OG-OG 3.12Å
201	V	97.5	Very high	95.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-52.7	176.5	166	0	0	0	0	111.4	Y197 H199 W203 L204 E205 H237 T240 L285	Y197-V201 WeakPolarHBondContact O-CB 3.33Å; Y197-V201 VanDerWaalsContact O-CG2 3.25Å; Y197-V201 WeakPolarHBondContact O-CG2 3.42Å; Y197-V201 PolarHBondContact O-N 3.14Å; H199-V201 PolarHBondContact O-N 2.86Å; V201-W203 PolarHBondContact O-N 2.74Å; V201-L204 PolarHBondContact O-N 3Å; V201-E205 HydrophobicContact CG1-CG 4.29Å; V201-E205 WeakPolarHBondContact O-CB 3.31Å; V201-E205 VanDerWaalsContact O-CG 3.3Å; V201-E205 WeakPolarHBondContact O-CG 3.25Å; V201-E205 PolarHBondContact O-N 2.91Å; V201-H237 WeakPolarHBondContact CG1-CE1 3.49Å; V201-T240 HydrophobicContact CG2-CG2 4.19Å; V201-L285 HydrophobicContact CB-CD1 3.95Å; V201-L285 HydrophobicContact CB-CD2 4.36Å; V201-L285 HydrophobicContact CG1-CD1 3.95Å; V201-L285 HydrophobicContact CG1-CD2 4.38Å; V201-L285 HydrophobicContact CG2-CD1 4.05Å
202	Q	97.3	Very high	95.7	Very high	42 Å²	42	44 Å²	44	20%	0.196	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-40.8	-173.8	-68.5	173.7	85.1	0	0	112.9	Q144 V151 Y198 H199 S200 L285	Q144-Q202 VanDerWaalsContact NE2-CD 3.34Å; Q144-Q202 VanDerWaalsContact NE2-OE1 3.07Å; V151-Q202 HydrophobicContact CG2-CB 3.9Å; Y198-Q202 VanDerWaalsContact CE1-NE2 3.32Å; Y198-Q202 PolarHBondContact O-NE2 2.85Å; H199-Q202 PolarHBondContact O-N 2.98Å; S200-Q202 PolarHBondContact O-N 3.07Å; Q202-L285 HydrophobicContact CG-CD2 3.77Å
203	W	98.2	Very high	95.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-76	-38.2	179.2	-77.6	97.9	0	0	0	112.8	L140 V151 L154 V155 L179 C184 V187 H199 V201 E206 S207	L140-W203 HydrophobicContact CB-CZ2 4.22Å; L140-W203 HydrophobicContact CD1-CH2 4.35Å; V151-W203 HydrophobicContact CG1-CD2 3.68Å; V151-W203 HydrophobicContact CG1-CE3 3.76Å; V151-W203 HydrophobicContact CG1-CG 4.2Å; V151-W203 HydrophobicContact CG1-CH2 4.26Å; V151-W203 HydrophobicContact CG1-CZ2 4.17Å; V151-W203 HydrophobicContact CG1-CZ3 4.06Å; L154-W203 HydrophobicContact CD2-CH2 3.76Å; L154-W203 HydrophobicContact CD2-CZ2 3.77Å; L154-W203 HydrophobicContact CG-CH2 4.29Å; V155-W203 HydrophobicContact CG1-CE3 4.32Å; V155-W203 HydrophobicContact CG1-CZ3 3.82Å; L179-W203 HydrophobicContact CD1-CH2 4.12Å; L179-W203 HydrophobicContact CD1-CZ3 3.77Å; C184-W203 HydrophobicContact CB-CE3 4.35Å; V187-W203 HydrophobicContact CB-CD2 3.86Å; V187-W203 HydrophobicContact CB-CE3 3.94Å; V187-W203 HydrophobicContact CB-CG 4.12Å; V187-W203 HydrophobicContact CB-CZ3 4.45Å; V187-W203 HydrophobicContact CG1-CB 4.46Å; V187-W203 HydrophobicContact CG1-CD2 3.5Å; V187-W203 HydrophobicContact CG1-CE3 4.05Å; V187-W203 HydrophobicContact CG1-CG 3.68Å; V187-W203 HydrophobicContact CG1-CZ2 4.11Å; V187-W203 HydrophobicContact CG2-CE3 4.33Å; V187-W203 HydrophobicContact CG2-CZ3 4.37Å; H199-W203 PolarHBondContact O-N 2.86Å; V201-W203 PolarHBondContact O-N 2.74Å; W203-E206 PolarHBondContact O-N 2.95Å; W203-S207 PolarHBondContact O-N 2.88Å
204	L	98.4	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.2	-29.7	178.3	-68.5	172.5	0	0	0	112.4	F185 S200 V201 S207 V208 H232 L233	F185-L204 HydrophobicContact CD2-CD2 3.62Å; F185-L204 HydrophobicContact CE2-CD2 4.12Å; S200-L204 WeakPolarHBondContact O-CB 3.39Å; S200-L204 WeakPolarHBondContact O-CD1 3.28Å; S200-L204 WeakPolarHBondContact O-CG 3.46Å; S200-L204 PolarHBondContact O-N 3.19Å; S200-L204 VanDerWaalsContact OG-CD1 3.22Å; S200-L204 WeakPolarHBondContact OG-CD1 3.44Å; V201-L204 PolarHBondContact O-N 3Å; L204-S207 WeakPolarHBondContact O-CB 3.48Å; L204-S207 PolarHBondContact O-N 3.44Å; L204-V208 WeakPolarHBondContact O-CB 3.27Å; L204-V208 WeakPolarHBondContact O-CG2 3.44Å; L204-V208 PolarHBondContact O-N 3.32Å; L204-H232 HydrophobicContact CD1-CB 3.6Å; L204-H232 HydrophobicContact CD2-CB 4.29Å; L204-L233 HydrophobicContact CB-CB 3.96Å; L204-L233 HydrophobicContact CB-CD1 3.67Å; L204-L233 HydrophobicContact CB-CG 4.28Å; L204-L233 HydrophobicContact CD1-CB 4.38Å
205	E	97.7	Very high	93.4	Very high	72 Å²	72	42.4 Å²	42.4	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-46.1	171.2	-78.6	178.7	159.3	0	0	111.3	V201 R209 L233 H237	V201-E205 HydrophobicContact CG1-CG 4.29Å; V201-E205 WeakPolarHBondContact O-CB 3.31Å; V201-E205 VanDerWaalsContact O-CG 3.3Å; V201-E205 WeakPolarHBondContact O-CG 3.25Å; V201-E205 PolarHBondContact O-N 2.91Å; E205-R209 WeakPolarHBondContact O-CB 3.36Å; E205-R209 PolarHBondContact O-N 3.17Å; E205-L233 HydrophobicContact CG-CD1 3.85Å; E205-L233 HydrophobicContact CG-CD2 4.14Å; E205-H237 IonicContact OE1-CE1 3.94Å; E205-H237 PolarHBondContact OE1-CE1 2.91Å; E205-H237 IonicContact OE1-NE2 3.72Å; E205-H237 PolarHBondContact OE1-NE2 3.1Å
206	E	97.4	Very high	91.7	Very high	27 Å²	27	39.4 Å²	39.4	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-39.1	175.2	-69.3	-57.8	141.1	0	0	112.1	V151 S152 V155 W203 R209 L210	V151-E206 HydrophobicContact CB-CG 4.49Å; V151-E206 HydrophobicContact CG1-CG 3.92Å; S152-E206 WeakPolarHBondContact CB-OE1 3.39Å; V155-E206 HydrophobicContact CG1-CB 4.12Å; V155-E206 HydrophobicContact CG1-CG 4.27Å; V155-E206 HydrophobicContact CG2-CG 4.38Å; W203-E206 PolarHBondContact O-N 2.95Å; E206-R209 PolarHBondContact O-N 3.39Å; E206-R209 IonicContact OE1-NE 3.45Å; E206-R209 IonicContact OE2-CZ 2.81Å; E206-R209 IonicContact OE2-NE 2.71Å; E206-R209 PolarHBondContact OE2-NE 3.08Å; E206-R209 IonicContact OE2-NH2 2.89Å; E206-R209 PolarHBondContact OE2-NH2 3.12Å; E206-L210 WeakPolarHBondContact O-CB 3.49Å; E206-L210 VanDerWaalsContact O-CG 3.28Å; E206-L210 WeakPolarHBondContact O-CG 3.31Å; E206-L210 PolarHBondContact O-N 3.02Å
207	S	96.9	Very high	90.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-53.3	173.9	177.4	0	0	0	0	111.9	G181 F185 W203 L204 R209 L210 F211	G181-S207 WeakPolarHBondContact O-CB 3.47Å; G181-S207 PolarHBondContact O-OG 3.47Å; F185-S207 WeakPolarHBondContact CB-OG 3.13Å; F185-S207 PolarHBondContact N-OG 3.11Å; W203-S207 PolarHBondContact O-N 2.88Å; L204-S207 WeakPolarHBondContact O-CB 3.48Å; L204-S207 PolarHBondContact O-N 3.44Å; S207-R209 VanDerWaalsContact C-N 3.33Å; S207-R209 PolarHBondContact O-N 3.22Å; S207-L210 PolarHBondContact O-N 3.5Å; S207-F211 VanDerWaalsContact O-CD2 3.27Å; S207-F211 WeakPolarHBondContact O-CD2 3.28Å; S207-F211 PolarHBondContact O-N 2.9Å; S207-F211 WeakPolarHBondContact OG-CD2 3.26Å; S207-F211 VanDerWaalsContact OG-CE2 3.29Å; S207-F211 WeakPolarHBondContact OG-CE2 3.33Å
208	V	96.4	Very high	89.4	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-42	178	168.6	0	0	0	0	110.9	L204 L210 F211 R212 L226 A229 L230 L233	L204-V208 WeakPolarHBondContact O-CB 3.27Å; L204-V208 WeakPolarHBondContact O-CG2 3.44Å; L204-V208 PolarHBondContact O-N 3.32Å; V208-L210 PolarHBondContact O-N 3.14Å; V208-F211 PolarHBondContact O-N 2.98Å; V208-R212 HydrophobicContact CG1-CG 4.45Å; V208-R212 WeakPolarHBondContact O-CB 3.29Å; V208-R212 VanDerWaalsContact O-CG 3.27Å; V208-R212 WeakPolarHBondContact O-CG 3.26Å; V208-R212 PolarHBondContact O-N 3.32Å; V208-L226 HydrophobicContact CG1-CD1 4.08Å; V208-A229 HydrophobicContact CG2-CB 3.68Å; V208-L230 HydrophobicContact CG1-CD2 3.86Å; V208-L230 HydrophobicContact CG2-CD2 4.12Å; V208-L230 HydrophobicContact CG2-CG 4.35Å; V208-L233 HydrophobicContact CB-CD2 4.27Å; V208-L233 HydrophobicContact CG2-CD2 3.81Å
209	R	95.9	Very high	88.4	Confident	103 Å²	103	50.6 Å²	50.6	39%	0.389	29%	0.286	S	S	.	.	H	α-helix	trans	-58.7	-46.5	176.6	-174.3	-172.9	68.2	84.1	-6.5	111.6	E156 E205 E206 S207 G213	E156-R209 IonicContact OE1-NH2 3.32Å; E205-R209 WeakPolarHBondContact O-CB 3.36Å; E205-R209 PolarHBondContact O-N 3.17Å; E206-R209 PolarHBondContact O-N 3.39Å; E206-R209 IonicContact OE1-NE 3.45Å; E206-R209 IonicContact OE2-CZ 2.81Å; E206-R209 IonicContact OE2-NE 2.71Å; E206-R209 PolarHBondContact OE2-NE 3.08Å; E206-R209 IonicContact OE2-NH2 2.89Å; E206-R209 PolarHBondContact OE2-NH2 3.12Å; S207-R209 VanDerWaalsContact C-N 3.33Å; S207-R209 PolarHBondContact O-N 3.22Å; R209-G213 PolarHBondContact O-N 2.9Å; R209-G213 VanDerWaalsContact O-N 3.12Å
210	L	94.4	Very high	87.5	Confident	43 Å²	43	55.2 Å²	55.2	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-69.5	-42.9	-179	-71.3	169.1	0	0	0	111.8	L179 E206 S207 V208 R212 G213 A214	L179-L210 WeakPolarHBondContact O-CD1 3.41Å; E206-L210 WeakPolarHBondContact O-CB 3.49Å; E206-L210 VanDerWaalsContact O-CG 3.28Å; E206-L210 WeakPolarHBondContact O-CG 3.31Å; E206-L210 PolarHBondContact O-N 3.02Å; S207-L210 PolarHBondContact O-N 3.5Å; V208-L210 PolarHBondContact O-N 3.14Å; L210-R212 PolarHBondContact O-N 2.95Å; L210-G213 PolarHBondContact O-N 3.25Å; L210-G213 VanDerWaalsContact O-N 3.09Å; L210-A214 PolarHBondContact O-N 3.08Å
211	F	93.2	Very high	86.6	Confident	29 Å²	29	62.4 Å²	62.4	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-61.3	-41.4	175.5	-79.7	-50.8	0	0	0	112.7	G181 D182 F185 S207 V208 G213 A214 L226 A229	G181-F211 VanDerWaalsContact C-CZ 3.4Å; G181-F211 WeakPolarHBondContact O-CE2 3.25Å; D182-F211 HydrophobicContact CB-CZ 4.13Å; F185-F211 HydrophobicContact CB-CE2 4.19Å; S207-F211 VanDerWaalsContact O-CD2 3.27Å; S207-F211 WeakPolarHBondContact O-CD2 3.28Å; S207-F211 PolarHBondContact O-N 2.9Å; S207-F211 WeakPolarHBondContact OG-CD2 3.26Å; S207-F211 VanDerWaalsContact OG-CE2 3.29Å; S207-F211 WeakPolarHBondContact OG-CE2 3.33Å; V208-F211 PolarHBondContact O-N 2.98Å; F211-G213 VanDerWaalsContact C-N 3.28Å; F211-G213 PolarHBondContact O-N 2.79Å; F211-A214 PolarHBondContact O-N 2.87Å; F211-L226 HydrophobicContact CB-CB 4.03Å; F211-L226 HydrophobicContact CB-CD1 3.84Å; F211-L226 HydrophobicContact CB-CG 4.45Å; F211-L226 HydrophobicContact CG-CB 4.44Å; F211-A229 HydrophobicContact CD2-CB 4.05Å; F211-A229 HydrophobicContact CE2-CB 4.13Å
212	R	92.5	Very high	86	Confident	112 Å²	112	63.9 Å²	63.9	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-36.2	173.2	-72.6	173.9	-178.1	149.9	1.2	112.2	V208 L210 L226 E252	V208-R212 HydrophobicContact CG1-CG 4.45Å; V208-R212 WeakPolarHBondContact O-CB 3.29Å; V208-R212 VanDerWaalsContact O-CG 3.27Å; V208-R212 WeakPolarHBondContact O-CG 3.26Å; V208-R212 PolarHBondContact O-N 3.32Å; L210-R212 PolarHBondContact O-N 2.95Å; R212-L226 HydrophobicContact CG-CD1 4.13Å; R212-L226 HydrophobicContact CG-CD2 4.38Å; R212-E252 IonicContact CZ-OE1 3.65Å; R212-E252 VanDerWaalsContact CZ-OE1 3.28Å; R212-E252 IonicContact CZ-OE2 3.6Å; R212-E252 IonicContact NE-OE1 2.88Å; R212-E252 PolarHBondContact NE-OE1 2.64Å; R212-E252 IonicContact NH2-OE1 2.64Å; R212-E252 PolarHBondContact NH2-OE1 3.42Å; R212-E252 IonicContact NH2-OE2 2.79Å; R212-E252 PolarHBondContact NH2-OE2 3.5Å
213	G	88.6	Confident	85.4	Confident	64 Å²	64	69.4 Å²	69.4	66%	0.66	38%	0.384	S	S	*	.	H	α-helix	trans	-73.4	-24.4	179.1	0	0	0	0	0	114.4	R209 L210 F211 A215	R209-G213 PolarHBondContact O-N 2.9Å; R209-G213 VanDerWaalsContact O-N 3.12Å; L210-G213 PolarHBondContact O-N 3.25Å; L210-G213 VanDerWaalsContact O-N 3.09Å; F211-G213 VanDerWaalsContact C-N 3.28Å; F211-G213 PolarHBondContact O-N 2.79Å; G213-A215 PolarHBondContact O-N 3.37Å; G213-A215 VanDerWaalsContact O-N 3.12Å
214	A	81.9	Confident	85	Confident	42 Å²	42	69.4 Å²	69.4	35%	0.347	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	9.3	-173.7	0	0	0	0	0	115.2	L210 F211 G216 E217	L210-A214 PolarHBondContact O-N 3.08Å; F211-A214 PolarHBondContact O-N 2.87Å; A214-G216 PolarHBondContact O-N 3.48Å; A214-E217 PolarHBondContact O-N 3.35Å
215	A	64.2	Low	84.7	Confident	96 Å²	96	71.2 Å²	71.2	79%	0.793	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	24	175.6	0	0	0	0	0	116.1	G213	G213-A215 PolarHBondContact O-N 3.37Å; G213-A215 VanDerWaalsContact O-N 3.12Å
216	G	58.5	Low	84.5	Confident	72 Å²	72	69.1 Å²	69.1	74%	0.742	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	12.4	-178.7	0	0	0	0	0	115.2	A214 W218	A214-G216 PolarHBondContact O-N 3.48Å; G216-W218 PolarHBondContact O-N 3.17Å
217	E	65.9	Low	84.3	Confident	169 Å²	169	71.2 Å²	71.2	79%	0.79	40%	0.396	S	S	*	.			trans	-73.2	69.2	168.6	-68.4	-175.9	175.5	0	0	110.1	A214 S219	A214-E217 PolarHBondContact O-N 3.35Å; E217-S219 PolarHBondContact O-N 3.11Å
218	W	73.4	Confident	84.2	Confident	144 Å²	144	74.1 Å²	74.1	55%	0.545	41%	0.412	S	S	.	.			trans	-72.4	124.8	166.2	-179.2	85.1	0	0	0	108.5	G216 P220	G216-W218 PolarHBondContact O-N 3.17Å; W218-P220 HydrophobicContact CZ3-CB 4.42Å; W218-P220 HydrophobicContact CZ3-CG 4.42Å
219	S	74.7	Confident	84.2	Confident	37 Å²	37	74 Å²	74	26%	0.259	41%	0.411	S	S	.	.			trans	-96.8	145	175.9	104.2	0	0	0	0	110.1	E217 E221 N222	E217-S219 PolarHBondContact O-N 3.11Å; S219-E221 WeakPolarHBondContact CB-OE2 3.4Å; S219-E221 PolarHBondContact O-N 2.87Å; S219-E221 PolarHBondContact OG-N 3.09Å; S219-E221 PolarHBondContact OG-OE2 3.03Å; S219-N222 PolarHBondContact N-ND2 3.39Å; S219-N222 PolarHBondContact O-N 3.45Å; S219-N222 VanDerWaalsContact O-N 3.11Å
220	P	76.8	Confident	84.3	Confident	102 Å²	102	69.1 Å²	69.1	66%	0.662	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.5	177.9	-24.9	34.9	0	0	0	115.1	W218	W218-P220 HydrophobicContact CZ3-CB 4.42Å; W218-P220 HydrophobicContact CZ3-CG 4.42Å
221	E	79.4	Confident	84.4	Confident	150 Å²	150	67.9 Å²	67.9	70%	0.701	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.4	179.3	-58.1	78.6	-168.2	0	0	113.2	S219	S219-E221 WeakPolarHBondContact CB-OE2 3.4Å; S219-E221 PolarHBondContact O-N 2.87Å; S219-E221 PolarHBondContact OG-N 3.09Å; S219-E221 PolarHBondContact OG-OE2 3.03Å
222	N	84.7	Confident	84.6	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.193	39%	0.386	C	S	.	.			trans	-74	138.1	-179.8	-64.8	-26.6	0	0	0	111.4	D182 S219	D182-N222 HydrophobicContact CB-CB 4.12Å; D182-N222 WeakPolarHBondContact OD2-CA 3.3Å; S219-N222 PolarHBondContact N-ND2 3.39Å; S219-N222 PolarHBondContact O-N 3.45Å; S219-N222 VanDerWaalsContact O-N 3.11Å
223	E	84.9	Confident	84.9	Confident	157 Å²	157	62.6 Å²	62.6	73%	0.734	37%	0.366	S	S	*	.	S	Bend	trans	-89.8	-29.3	174.6	-70.4	-165	175.5	0	0	113.3	D182	D182-E223 PolarHBondContact OD1-N 3.35Å; D182-E223 PolarHBondContact OD2-N 3.12Å; D182-E223 VanDerWaalsContact OD2-N 3.16Å
224	G	88.3	Confident	85.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.336	C	S	.	.			trans	-105.2	157.8	-178.1	0	0	0	0	0	113.9	D182	D182-G224 VanDerWaalsContact OD1-CA 3.29Å; D182-G224 WeakPolarHBondContact OD1-CA 3.32Å; D182-G224 PolarHBondContact OD1-N 3.24Å
225	T	92.3	Very high	86	Confident	38 Å²	38	60.2 Å²	60.2	23%	0.233	33%	0.331	C	S	.	.			trans	-122.5	170.2	176.9	64.2	0	0	0	0	111.7	E227 D228 A229	T225-E227 WeakPolarHBondContact CB-OE2 3.07Å; T225-E227 PolarHBondContact O-N 3.47Å; T225-D228 PolarHBondContact N-OD2 3.36Å; T225-D228 VanDerWaalsContact N-OD2 3.13Å; T225-D228 PolarHBondContact O-N 3.36Å; T225-D228 PolarHBondContact OG1-N 3.01Å; T225-D228 VanDerWaalsContact OG1-N 3.12Å; T225-D228 PolarHBondContact OG1-OD2 3.38Å; T225-A229 WeakPolarHBondContact O-CB 3.43Å; T225-A229 PolarHBondContact O-N 2.92Å
226	L	93.4	Very high	87.6	Confident	29 Å²	29	55.7 Å²	55.7	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-41.1	171.5	176.2	58.5	0	0	0	110.6	V208 F211 R212 A229 L230	V208-L226 HydrophobicContact CG1-CD1 4.08Å; F211-L226 HydrophobicContact CB-CB 4.03Å; F211-L226 HydrophobicContact CB-CD1 3.84Å; F211-L226 HydrophobicContact CB-CG 4.45Å; F211-L226 HydrophobicContact CG-CB 4.44Å; R212-L226 HydrophobicContact CG-CD1 4.13Å; R212-L226 HydrophobicContact CG-CD2 4.38Å; L226-A229 PolarHBondContact O-N 2.96Å; L226-L230 HydrophobicContact CD1-CD1 4.11Å; L226-L230 HydrophobicContact CD1-CG 4Å; L226-L230 HydrophobicContact CG-CD1 3.92Å; L226-L230 HydrophobicContact CG-CG 4.28Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.24Å; L226-L230 PolarHBondContact O-N 3.22Å
227	E	93.9	Very high	89.3	Confident	70 Å²	70	52.5 Å²	52.5	33%	0.327	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-44.6	179.1	-66.5	81.7	175.6	0	0	111.5	T225 L230 D231 L253 H256	T225-E227 WeakPolarHBondContact CB-OE2 3.07Å; T225-E227 PolarHBondContact O-N 3.47Å; E227-L230 PolarHBondContact O-N 3.02Å; E227-D231 WeakPolarHBondContact O-CB 3.49Å; E227-D231 PolarHBondContact O-N 3.23Å; E227-L253 HydrophobicContact CB-CD1 3.74Å; E227-L253 HydrophobicContact CG-CD1 4.03Å; E227-H256 HydrophobicContact CG-CB 3.84Å; E227-H256 IonicContact OE1-CG 3.38Å; E227-H256 IonicContact OE1-ND1 2.76Å
228	D	95	Very high	90.7	Very high	62 Å²	62	46.4 Å²	46.4	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-46.1	174.9	-64.3	-53.2	0	0	0	111.2	F185 T225 D231 H232	F185-D228 HydrophobicContact CE1-CB 4.19Å; F185-D228 HydrophobicContact CE2-CB 3.9Å; F185-D228 HydrophobicContact CZ-CB 3.58Å; T225-D228 PolarHBondContact N-OD2 3.36Å; T225-D228 VanDerWaalsContact N-OD2 3.13Å; T225-D228 PolarHBondContact O-N 3.36Å; T225-D228 PolarHBondContact OG1-N 3.01Å; T225-D228 VanDerWaalsContact OG1-N 3.12Å; T225-D228 PolarHBondContact OG1-OD2 3.38Å; D228-D231 PolarHBondContact O-N 3.03Å; D228-H232 PolarHBondContact O-N 3.04Å; D228-H232 VanDerWaalsContact O-N 3.1Å; D228-H232 PolarHBondContact O-ND1 3.11Å
229	A	96.6	Very high	91.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-43.6	180	0	0	0	0	0	111.9	F185 V208 F211 T225 L226 D231 L233	F185-A229 HydrophobicContact CD2-CB 3.83Å; F185-A229 HydrophobicContact CE2-CB 4.37Å; V208-A229 HydrophobicContact CG2-CB 3.68Å; F211-A229 HydrophobicContact CD2-CB 4.05Å; F211-A229 HydrophobicContact CE2-CB 4.13Å; T225-A229 WeakPolarHBondContact O-CB 3.43Å; T225-A229 PolarHBondContact O-N 2.92Å; L226-A229 PolarHBondContact O-N 2.96Å; A229-D231 PolarHBondContact O-N 2.69Å; A229-L233 WeakPolarHBondContact O-CB 3.4Å; A229-L233 PolarHBondContact O-N 2.87Å
230	L	97.2	Very high	92.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-43.9	176.2	-75.9	171.8	0	0	0	112	V208 L226 E227 L233 A234 L249 E252 L253	V208-L230 HydrophobicContact CG1-CD2 3.86Å; V208-L230 HydrophobicContact CG2-CD2 4.12Å; V208-L230 HydrophobicContact CG2-CG 4.35Å; L226-L230 HydrophobicContact CD1-CD1 4.11Å; L226-L230 HydrophobicContact CD1-CG 4Å; L226-L230 HydrophobicContact CG-CD1 3.92Å; L226-L230 HydrophobicContact CG-CG 4.28Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.24Å; L226-L230 PolarHBondContact O-N 3.22Å; E227-L230 PolarHBondContact O-N 3.02Å; L230-L233 PolarHBondContact O-N 3.42Å; L230-A234 VanDerWaalsContact O-CB 3.26Å; L230-A234 WeakPolarHBondContact O-CB 3.5Å; L230-A234 PolarHBondContact O-N 2.75Å; L230-L249 HydrophobicContact CD2-CD2 3.79Å; L230-E252 HydrophobicContact CD1-CG 3.97Å; L230-E252 HydrophobicContact CD2-CG 4.41Å; L230-L253 HydrophobicContact CB-CB 4.33Å; L230-L253 HydrophobicContact CB-CD1 4.42Å; L230-L253 HydrophobicContact CD1-CB 4.48Å
231	D	96.8	Very high	93.1	Very high	16 Å²	16	41.1 Å²	41.1	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-49.1	-179.9	-179.2	48.9	0	0	0	112.3	E227 D228 A229 L233 A234 F235 L253 R262	E227-D231 WeakPolarHBondContact O-CB 3.49Å; E227-D231 PolarHBondContact O-N 3.23Å; D228-D231 PolarHBondContact O-N 3.03Å; A229-D231 PolarHBondContact O-N 2.69Å; D231-L233 VanDerWaalsContact C-N 3.32Å; D231-L233 PolarHBondContact O-N 2.81Å; D231-A234 PolarHBondContact O-N 2.89Å; D231-F235 PolarHBondContact O-N 3.23Å; D231-L253 HydrophobicContact CB-CD2 3.71Å; D231-R262 VanDerWaalsContact CG-NH1 3.32Å; D231-R262 IonicContact OD1-CZ 3.34Å; D231-R262 IonicContact OD1-NH1 3.08Å; D231-R262 PolarHBondContact OD1-NH1 3.04Å; D231-R262 VanDerWaalsContact OD1-NH1 3.08Å; D231-R262 IonicContact OD1-NH2 3.22Å; D231-R262 PolarHBondContact OD1-NH2 3.38Å; D231-R262 IonicContact OD2-CZ 3.11Å; D231-R262 IonicContact OD2-NH1 2.75Å; D231-R262 PolarHBondContact OD2-NH1 3.27Å; D231-R262 IonicContact OD2-NH2 2.63Å; D231-R262 PolarHBondContact OD2-NH2 3.39Å
232	H	98.2	Very high	93.7	Very high	29 Å²	29	36.1 Å²	36.1	13%	0.134	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-38.6	178	-69.6	76.1	0	0	0	111.3	F185 Y192 L204 D228 S236	F185-H232 HydrophobicContact CE2-CB 4.44Å; F185-H232 AromaticContact CE2-ND1 3.72Å; F185-H232 AromaticContact CZ-CE1 3.88Å; F185-H232 AromaticContact CZ-ND1 3.9Å; Y192-H232 AromaticContact CD1-CD2 3.76Å; Y192-H232 HydrophobicContact CD2-CB 4.36Å; Y192-H232 AromaticContact CE1-CD2 3.92Å; Y192-H232 AromaticContact CG-CD2 3.89Å; L204-H232 HydrophobicContact CD1-CB 3.6Å; L204-H232 HydrophobicContact CD2-CB 4.29Å; D228-H232 PolarHBondContact O-N 3.04Å; D228-H232 VanDerWaalsContact O-N 3.1Å; D228-H232 PolarHBondContact O-ND1 3.11Å; H232-S236 WeakPolarHBondContact O-CB 3.22Å; H232-S236 PolarHBondContact O-N 3.18Å; H232-S236 PolarHBondContact O-OG 3.37Å
233	L	98.1	Very high	94.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-44.4	179.8	-175.9	59.6	0	0	0	111.3	L204 E205 V208 A229 L230 D231 F235 S236 H237 L249	L204-L233 HydrophobicContact CB-CB 3.96Å; L204-L233 HydrophobicContact CB-CD1 3.67Å; L204-L233 HydrophobicContact CB-CG 4.28Å; L204-L233 HydrophobicContact CD1-CB 4.38Å; E205-L233 HydrophobicContact CG-CD1 3.85Å; E205-L233 HydrophobicContact CG-CD2 4.14Å; V208-L233 HydrophobicContact CB-CD2 4.27Å; V208-L233 HydrophobicContact CG2-CD2 3.81Å; A229-L233 WeakPolarHBondContact O-CB 3.4Å; A229-L233 PolarHBondContact O-N 2.87Å; L230-L233 PolarHBondContact O-N 3.42Å; D231-L233 VanDerWaalsContact C-N 3.32Å; D231-L233 PolarHBondContact O-N 2.81Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 PolarHBondContact O-N 2.83Å; L233-S236 PolarHBondContact O-N 2.81Å; L233-S236 VanDerWaalsContact O-N 3.17Å; L233-H237 WeakPolarHBondContact CD1-NE2 3.49Å; L233-H237 PolarHBondContact O-CD2 2.82Å; L233-H237 VanDerWaalsContact O-CD2 3.29Å; L233-H237 PolarHBondContact O-N 2.82Å; L233-L249 HydrophobicContact CB-CD1 4.32Å; L233-L249 HydrophobicContact CD2-CD1 3.84Å; L233-L249 HydrophobicContact CD2-CD2 4.18Å; L233-L249 HydrophobicContact CG-CD1 3.69Å
234	A	97.5	Very high	94.5	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-47	177.3	0	0	0	0	0	111.2	L230 D231 S236 H237 F238 A246 L249	L230-A234 VanDerWaalsContact O-CB 3.26Å; L230-A234 WeakPolarHBondContact O-CB 3.5Å; L230-A234 PolarHBondContact O-N 2.75Å; D231-A234 PolarHBondContact O-N 2.89Å; A234-S236 PolarHBondContact O-N 3.49Å; A234-H237 PolarHBondContact O-N 2.95Å; A234-F238 PolarHBondContact O-N 2.89Å; A234-A246 WeakPolarHBondContact O-CB 3.35Å; A234-L249 HydrophobicContact CB-CB 3.89Å
235	F	97.1	Very high	94.8	Very high	55 Å²	55	35.4 Å²	35.4	24%	0.241	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-38.2	176.8	-174	-93.3	0	0	0	112.7	Y192 Y197 D231 L233 F238 K239	Y192-F235 HydrophobicContact CD2-CD1 4.43Å; Y192-F235 HydrophobicContact CE2-CB 4.09Å; Y192-F235 AromaticContact CE2-CD1 3.37Å; Y192-F235 HydrophobicContact CE2-CD1 3.37Å; Y192-F235 HydrophobicContact CE2-CE1 4.09Å; Y192-F235 HydrophobicContact CE2-CG 4.07Å; Y192-F235 AromaticContact CZ-CD1 3.76Å; Y192-F235 WeakPolarHBondContact OH-CD1 3.47Å; Y197-F235 HydrophobicContact CE1-CD1 4.06Å; Y197-F235 HydrophobicContact CE1-CE1 4Å; D231-F235 PolarHBondContact O-N 3.23Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 PolarHBondContact O-N 2.83Å; F235-F238 HydrophobicContact CD2-CD1 4.45Å; F235-F238 HydrophobicContact CE2-CD1 4.47Å; F235-F238 WeakPolarHBondContact O-CB 3.04Å; F235-F238 PolarHBondContact O-N 3.03Å; F235-K239 HydrophobicContact CD1-CG 3.81Å; F235-K239 HydrophobicContact CE1-CD 4.07Å; F235-K239 HydrophobicContact CE1-CG 3.56Å; F235-K239 HydrophobicContact CZ-CD 4.23Å; F235-K239 HydrophobicContact CZ-CG 4.09Å; F235-K239 WeakPolarHBondContact O-CG 3.41Å; F235-K239 PolarHBondContact O-N 2.99Å
236	S	96.9	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-44.9	178	-60.3	0	0	0	0	111.7	S200 H232 L233 A234 F238 K239 T240	S200-S236 PolarHBondContact OG-OG 3.12Å; H232-S236 WeakPolarHBondContact O-CB 3.22Å; H232-S236 PolarHBondContact O-N 3.18Å; H232-S236 PolarHBondContact O-OG 3.37Å; L233-S236 PolarHBondContact O-N 2.81Å; L233-S236 VanDerWaalsContact O-N 3.17Å; A234-S236 PolarHBondContact O-N 3.49Å; S236-F238 VanDerWaalsContact C-N 3.33Å; S236-F238 PolarHBondContact O-N 3.33Å; S236-K239 WeakPolarHBondContact O-CB 3.48Å; S236-K239 PolarHBondContact O-N 3.4Å; S236-K239 VanDerWaalsContact O-N 3.16Å; S236-T240 WeakPolarHBondContact O-CG2 3.19Å; S236-T240 PolarHBondContact O-N 3.36Å; S236-T240 PolarHBondContact O-OG1 2.92Å
237	H	95.5	Very high	95.1	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.023	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-37.8	173	-78.6	-61.2	0	0	0	113	V201 E205 L233 A234 K239 T240 G241 N242 Y245 A246	V201-H237 WeakPolarHBondContact CG1-CE1 3.49Å; E205-H237 IonicContact OE1-CE1 3.94Å; E205-H237 PolarHBondContact OE1-CE1 2.91Å; E205-H237 IonicContact OE1-NE2 3.72Å; E205-H237 PolarHBondContact OE1-NE2 3.1Å; L233-H237 WeakPolarHBondContact CD1-NE2 3.49Å; L233-H237 PolarHBondContact O-CD2 2.82Å; L233-H237 VanDerWaalsContact O-CD2 3.29Å; L233-H237 PolarHBondContact O-N 2.82Å; A234-H237 PolarHBondContact O-N 2.95Å; H237-K239 VanDerWaalsContact C-N 3.31Å; H237-K239 PolarHBondContact O-N 2.85Å; H237-T240 WeakPolarHBondContact CA-OG1 3.45Å; H237-T240 PolarHBondContact O-N 3.33Å; H237-T240 PolarHBondContact O-OG1 2.76Å; H237-T240 VanDerWaalsContact O-OG1 3.12Å; H237-G241 PolarHBondContact O-N 3.26Å; H237-N242 HydrophobicContact CB-CB 4.24Å; H237-N242 PolarHBondContact O-N 2.68Å; H237-Y245 AromaticContact CD2-CD1 3.48Å; H237-Y245 VanDerWaalsContact CD2-CD1 3.48Å; H237-Y245 WeakPolarHBondContact CD2-CD1 3.38Å; H237-Y245 AromaticContact CD2-CE1 3.83Å; H237-Y245 AromaticContact CE1-CD1 3.5Å; H237-Y245 VanDerWaalsContact CE1-CD1 3.5Å; H237-Y245 WeakPolarHBondContact CE1-CD1 3.43Å; H237-Y245 AromaticContact CE1-CE1 3.75Å; H237-Y245 AromaticContact CG-CD1 3.83Å; H237-Y245 AromaticContact ND1-CD1 3.85Å; H237-Y245 AromaticContact NE2-CD1 3.25Å; H237-Y245 WeakPolarHBondContact NE2-CD1 3.41Å; H237-Y245 AromaticContact NE2-CE1 3.24Å; H237-Y245 WeakPolarHBondContact NE2-CE1 3.38Å; H237-A246 HydrophobicContact CB-CB 4.09Å
238	F	94.3	Very high	95.2	Very high	41 Å²	41	32.7 Å²	32.7	18%	0.18	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-44.4	173.3	168	-106.6	0	0	0	111.1	A234 F235 S236 T240 G241 V243 A246 Y270 L273	A234-F238 PolarHBondContact O-N 2.89Å; F235-F238 HydrophobicContact CD2-CD1 4.45Å; F235-F238 HydrophobicContact CE2-CD1 4.47Å; F235-F238 WeakPolarHBondContact O-CB 3.04Å; F235-F238 PolarHBondContact O-N 3.03Å; S236-F238 VanDerWaalsContact C-N 3.33Å; S236-F238 PolarHBondContact O-N 3.33Å; F238-T240 VanDerWaalsContact C-N 3.34Å; F238-T240 PolarHBondContact O-N 2.9Å; F238-G241 PolarHBondContact O-N 3Å; F238-G241 VanDerWaalsContact O-N 3.13Å; F238-V243 HydrophobicContact CD2-CG2 4.24Å; F238-A246 HydrophobicContact CB-CB 3.99Å; F238-Y270 HydrophobicContact CB-CE1 3.9Å; F238-Y270 HydrophobicContact CD1-CE1 4.16Å; F238-Y270 AromaticContact CD2-CD1 3.69Å; F238-Y270 HydrophobicContact CD2-CD1 3.69Å; F238-Y270 AromaticContact CD2-CE1 3.22Å; F238-Y270 HydrophobicContact CD2-CE1 3.22Å; F238-Y270 HydrophobicContact CE2-CD1 4.05Å; F238-Y270 AromaticContact CE2-CE1 3.74Å; F238-Y270 HydrophobicContact CE2-CE1 3.74Å; F238-Y270 HydrophobicContact CG-CD1 4.36Å; F238-Y270 AromaticContact CG-CE1 3.47Å; F238-Y270 HydrophobicContact CG-CE1 3.47Å; F238-Y270 VanDerWaalsContact CG-CE1 3.47Å; F238-Y270 AromaticContact CG-CZ 3.93Å; F238-Y270 HydrophobicContact CZ-CE1 4.4Å; F238-L273 HydrophobicContact CE2-CD1 3.66Å; F238-L273 HydrophobicContact CZ-CD1 4.41Å
239	K	93.6	Very high	95.3	Very high	99 Å²	99	29.8 Å²	29.8	43%	0.43	16%	0.164	S	C	.	.	H	α-helix	trans	-65.6	-32.8	178.2	-75.1	-72.2	-153.9	160.2	0	113.4	Y197 F235 S236 H237 G241	Y197-K239 HydrophobicContact CD1-CB 3.87Å; Y197-K239 HydrophobicContact CD1-CG 4.09Å; Y197-K239 HydrophobicContact CD2-CB 3.65Å; Y197-K239 HydrophobicContact CD2-CG 4.13Å; Y197-K239 HydrophobicContact CE1-CB 4.05Å; Y197-K239 HydrophobicContact CE1-CG 3.75Å; Y197-K239 HydrophobicContact CE2-CB 3.87Å; Y197-K239 HydrophobicContact CE2-CD 3.96Å; Y197-K239 HydrophobicContact CE2-CG 3.81Å; Y197-K239 HydrophobicContact CG-CB 3.66Å; Y197-K239 HydrophobicContact CG-CG 4.27Å; Y197-K239 WeakPolarHBondContact OH-CE 3.45Å; F235-K239 HydrophobicContact CD1-CG 3.81Å; F235-K239 HydrophobicContact CE1-CD 4.07Å; F235-K239 HydrophobicContact CE1-CG 3.56Å; F235-K239 HydrophobicContact CZ-CD 4.23Å; F235-K239 HydrophobicContact CZ-CG 4.09Å; F235-K239 WeakPolarHBondContact O-CG 3.41Å; F235-K239 PolarHBondContact O-N 2.99Å; S236-K239 WeakPolarHBondContact O-CB 3.48Å; S236-K239 PolarHBondContact O-N 3.4Å; S236-K239 VanDerWaalsContact O-N 3.16Å; H237-K239 VanDerWaalsContact C-N 3.31Å; H237-K239 PolarHBondContact O-N 2.85Å; K239-G241 VanDerWaalsContact C-N 3.29Å
240	T	91.8	Very high	95.3	Very high	39 Å²	39	29.9 Å²	29.9	24%	0.239	17%	0.165	C	C	.	.	H	α-helix	trans	-84.5	-2.9	174.9	64.9	0	0	0	0	113.3	V201 S236 H237 F238 L285	V201-T240 HydrophobicContact CG2-CG2 4.19Å; S236-T240 WeakPolarHBondContact O-CG2 3.19Å; S236-T240 PolarHBondContact O-N 3.36Å; S236-T240 PolarHBondContact O-OG1 2.92Å; H237-T240 WeakPolarHBondContact CA-OG1 3.45Å; H237-T240 PolarHBondContact O-N 3.33Å; H237-T240 PolarHBondContact O-OG1 2.76Å; H237-T240 VanDerWaalsContact O-OG1 3.12Å; F238-T240 VanDerWaalsContact C-N 3.34Å; F238-T240 PolarHBondContact O-N 2.9Å; T240-L285 HydrophobicContact CG2-CD1 3.78Å
241	G	90.3	Very high	95.3	Very high	34 Å²	34	33.4 Å²	33.4	35%	0.351	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	6.1	175.5	0	0	0	0	0	115.3	H237 F238 K239 V243	H237-G241 PolarHBondContact O-N 3.26Å; F238-G241 PolarHBondContact O-N 3Å; F238-G241 VanDerWaalsContact O-N 3.13Å; K239-G241 VanDerWaalsContact C-N 3.29Å; G241-V243 VanDerWaalsContact C-N 3.25Å; G241-V243 PolarHBondContact O-N 3.08Å; G241-V243 VanDerWaalsContact O-N 3.1Å
242	N	91.4	Very high	95.3	Very high	46 Å²	46	35 Å²	35	25%	0.246	19%	0.188	C	C	.	.			trans	-85.4	67.3	172.4	-168.1	-9.5	0	0	0	110.4	H237 S244 Y245 A246	H237-N242 HydrophobicContact CB-CB 4.24Å; H237-N242 PolarHBondContact O-N 2.68Å; N242-S244 VanDerWaalsContact C-N 3.31Å; N242-S244 PolarHBondContact O-N 3.37Å; N242-S244 PolarHBondContact OD1-OG 3.45Å; N242-Y245 WeakPolarHBondContact ND2-CB 3.36Å; N242-Y245 PolarHBondContact O-N 3.14Å; N242-Y245 VanDerWaalsContact OD1-CB 3.28Å; N242-Y245 WeakPolarHBondContact OD1-CB 3.39Å; N242-Y245 PolarHBondContact OD1-N 3.02Å; N242-A246 PolarHBondContact O-N 2.96Å
243	V	92.9	Very high	95.1	Very high	25 Å²	25	33.9 Å²	33.9	15%	0.152	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-33.9	-174	-174.7	0	0	0	0	112	F238 G241 A246 L247 Y270 L273 L274	F238-V243 HydrophobicContact CD2-CG2 4.24Å; G241-V243 VanDerWaalsContact C-N 3.25Å; G241-V243 PolarHBondContact O-N 3.08Å; G241-V243 VanDerWaalsContact O-N 3.1Å; V243-A246 PolarHBondContact O-N 3.19Å; V243-L247 WeakPolarHBondContact O-CB 3.26Å; V243-L247 PolarHBondContact O-N 3.48Å; V243-Y270 HydrophobicContact CG1-CD1 4.18Å; V243-Y270 HydrophobicContact CG1-CG 4.16Å; V243-L273 HydrophobicContact CG1-CB 4.42Å; V243-L274 HydrophobicContact CB-CD2 4.08Å; V243-L274 HydrophobicContact CB-CG 4.42Å; V243-L274 HydrophobicContact CG1-CD1 4.38Å; V243-L274 HydrophobicContact CG1-CD2 4.18Å; V243-L274 HydrophobicContact CG1-CG 3.97Å
244	S	92.9	Very high	95	Very high	73 Å²	73	35 Å²	35	51%	0.51	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-42.4	177.6	48	0	0	0	0	112.3	N242 L247 S248	N242-S244 VanDerWaalsContact C-N 3.31Å; N242-S244 PolarHBondContact O-N 3.37Å; N242-S244 PolarHBondContact OD1-OG 3.45Å; S244-L247 PolarHBondContact O-N 3.28Å; S244-S248 PolarHBondContact O-N 3.07Å; S244-S248 VanDerWaalsContact O-N 3.14Å
245	Y	94.3	Very high	94.8	Very high	80 Å²	80	42.2 Å²	42.2	31%	0.314	22%	0.222	S	C	.	.	H	α-helix	trans	-75.9	-35.5	179.2	-165.6	-135	0	0	0	112	H237 N242 L247 S248 L249	H237-Y245 AromaticContact CD2-CD1 3.48Å; H237-Y245 VanDerWaalsContact CD2-CD1 3.48Å; H237-Y245 WeakPolarHBondContact CD2-CD1 3.38Å; H237-Y245 AromaticContact CD2-CE1 3.83Å; H237-Y245 AromaticContact CE1-CD1 3.5Å; H237-Y245 VanDerWaalsContact CE1-CD1 3.5Å; H237-Y245 WeakPolarHBondContact CE1-CD1 3.43Å; H237-Y245 AromaticContact CE1-CE1 3.75Å; H237-Y245 AromaticContact CG-CD1 3.83Å; H237-Y245 AromaticContact ND1-CD1 3.85Å; H237-Y245 AromaticContact NE2-CD1 3.25Å; H237-Y245 WeakPolarHBondContact NE2-CD1 3.41Å; H237-Y245 AromaticContact NE2-CE1 3.24Å; H237-Y245 WeakPolarHBondContact NE2-CE1 3.38Å; N242-Y245 WeakPolarHBondContact ND2-CB 3.36Å; N242-Y245 PolarHBondContact O-N 3.14Å; N242-Y245 VanDerWaalsContact OD1-CB 3.28Å; N242-Y245 WeakPolarHBondContact OD1-CB 3.39Å; N242-Y245 PolarHBondContact OD1-N 3.02Å; Y245-L247 VanDerWaalsContact C-N 3.26Å; Y245-L247 PolarHBondContact O-N 3.39Å; Y245-S248 WeakPolarHBondContact CA-OG 3.38Å; Y245-S248 VanDerWaalsContact CD2-OG 3.25Å; Y245-S248 WeakPolarHBondContact CD2-OG 3.33Å; Y245-S248 PolarHBondContact O-N 3.24Å; Y245-S248 PolarHBondContact O-OG 2.99Å; Y245-L249 HydrophobicContact CD1-CD1 4.11Å; Y245-L249 HydrophobicContact CE1-CD1 4.05Å; Y245-L249 HydrophobicContact CE2-CD2 4.47Å; Y245-L249 HydrophobicContact CE2-CG 4.41Å; Y245-L249 HydrophobicContact CG-CD1 4.46Å; Y245-L249 WeakPolarHBondContact O-CG 3.3Å; Y245-L249 PolarHBondContact O-N 3.28Å
246	A	95.9	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-41.1	169.8	0	0	0	0	0	112.4	A234 H237 F238 N242 V243 S250 Y270	A234-A246 WeakPolarHBondContact O-CB 3.35Å; H237-A246 HydrophobicContact CB-CB 4.09Å; F238-A246 HydrophobicContact CB-CB 3.99Å; N242-A246 PolarHBondContact O-N 2.96Å; V243-A246 PolarHBondContact O-N 3.19Å; A246-S250 WeakPolarHBondContact O-CB 3.41Å; A246-S250 PolarHBondContact O-N 3.44Å; A246-S250 PolarHBondContact O-OG 2.99Å; A246-Y270 HydrophobicContact CB-CD2 4.32Å; A246-Y270 HydrophobicContact CB-CE2 4.01Å
247	L	96.1	Very high	94.3	Very high	24 Å²	24	46.9 Å²	46.9	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-46	175.4	178.5	60.3	0	0	0	111.9	V243 S244 Y245 L249 S250 H251 I267 Y270 E271 L274	V243-L247 WeakPolarHBondContact O-CB 3.26Å; V243-L247 PolarHBondContact O-N 3.48Å; S244-L247 PolarHBondContact O-N 3.28Å; Y245-L247 VanDerWaalsContact C-N 3.26Å; Y245-L247 PolarHBondContact O-N 3.39Å; L247-L249 VanDerWaalsContact C-N 3.34Å; L247-L249 PolarHBondContact O-N 3.02Å; L247-S250 PolarHBondContact O-N 3.37Å; L247-H251 WeakPolarHBondContact CD1-NE2 3.26Å; L247-H251 PolarHBondContact O-CD2 3.37Å; L247-H251 VanDerWaalsContact O-CD2 3.28Å; L247-H251 PolarHBondContact O-N 2.91Å; L247-I267 HydrophobicContact CD1-CB 4.18Å; L247-I267 HydrophobicContact CD1-CG1 4.02Å; L247-I267 HydrophobicContact CD1-CG2 3.84Å; L247-Y270 HydrophobicContact CB-CD2 4.37Å; L247-E271 HydrophobicContact CD1-CG 4.12Å; L247-E271 HydrophobicContact CD2-CG 4.02Å; L247-L274 HydrophobicContact CD2-CD1 3.72Å
248	S	96.7	Very high	94.2	Very high	55 Å²	55	50.1 Å²	50.1	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-41.6	178.1	55.3	0	0	0	0	112.8	S244 Y245 S250 H251 E252	S244-S248 PolarHBondContact O-N 3.07Å; S244-S248 VanDerWaalsContact O-N 3.14Å; Y245-S248 WeakPolarHBondContact CA-OG 3.38Å; Y245-S248 VanDerWaalsContact CD2-OG 3.25Å; Y245-S248 WeakPolarHBondContact CD2-OG 3.33Å; Y245-S248 PolarHBondContact O-N 3.24Å; Y245-S248 PolarHBondContact O-OG 2.99Å; S248-S250 VanDerWaalsContact C-N 3.34Å; S248-H251 PolarHBondContact O-N 3.47Å; S248-E252 PolarHBondContact O-N 3.15Å
249	L	97.1	Very high	94.1	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-37.7	177.3	-67.3	167.4	0	0	0	111.8	L230 L233 A234 Y245 L247 E252 L253	L230-L249 HydrophobicContact CD2-CD2 3.79Å; L233-L249 HydrophobicContact CB-CD1 4.32Å; L233-L249 HydrophobicContact CD2-CD1 3.84Å; L233-L249 HydrophobicContact CD2-CD2 4.18Å; L233-L249 HydrophobicContact CG-CD1 3.69Å; A234-L249 HydrophobicContact CB-CB 3.89Å; Y245-L249 HydrophobicContact CD1-CD1 4.11Å; Y245-L249 HydrophobicContact CE1-CD1 4.05Å; Y245-L249 HydrophobicContact CE2-CD2 4.47Å; Y245-L249 HydrophobicContact CE2-CG 4.41Å; Y245-L249 HydrophobicContact CG-CD1 4.46Å; Y245-L249 WeakPolarHBondContact O-CG 3.3Å; Y245-L249 PolarHBondContact O-N 3.28Å; L247-L249 VanDerWaalsContact C-N 3.34Å; L247-L249 PolarHBondContact O-N 3.02Å; L249-E252 WeakPolarHBondContact O-CB 3.1Å; L249-E252 PolarHBondContact O-N 3.37Å; L249-L253 PolarHBondContact O-N 3.25Å
250	S	97.3	Very high	94	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-38.9	176.1	-60.4	0	0	0	0	112	A246 L247 S248 L253 L254 V263	A246-S250 WeakPolarHBondContact O-CB 3.41Å; A246-S250 PolarHBondContact O-N 3.44Å; A246-S250 PolarHBondContact O-OG 2.99Å; L247-S250 PolarHBondContact O-N 3.37Å; S248-S250 VanDerWaalsContact C-N 3.34Å; S250-L253 PolarHBondContact O-N 3.28Å; S250-L254 PolarHBondContact O-N 3.44Å; S250-L254 VanDerWaalsContact O-N 3.13Å; S250-V263 WeakPolarHBondContact O-CG1 3.2Å
251	H	97.1	Very high	94	Very high	73 Å²	73	52.7 Å²	52.7	34%	0.338	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-44.6	172.9	-79.4	-60.4	0	0	0	111.8	L247 S248 L253 L254 H255	L247-H251 WeakPolarHBondContact CD1-NE2 3.26Å; L247-H251 PolarHBondContact O-CD2 3.37Å; L247-H251 VanDerWaalsContact O-CD2 3.28Å; L247-H251 PolarHBondContact O-N 2.91Å; S248-H251 PolarHBondContact O-N 3.47Å; H251-L253 VanDerWaalsContact C-N 3.32Å; H251-L253 PolarHBondContact O-N 2.65Å; H251-L254 PolarHBondContact O-N 3.44Å; H251-H255 PolarHBondContact O-CE1 2.8Å; H251-H255 PolarHBondContact O-N 2.76Å; H251-H255 PolarHBondContact O-ND1 3.12Å
252	E	95.8	Very high	94.3	Very high	50 Å²	50	56.7 Å²	56.7	23%	0.234	30%	0.298	C	S	.	.	H	α-helix	trans	-55.9	-48.8	174.9	-177.4	177.9	164.8	0	0	110.9	R212 L230 S248 L249 L254 H255 H256	R212-E252 IonicContact CZ-OE1 3.65Å; R212-E252 VanDerWaalsContact CZ-OE1 3.28Å; R212-E252 IonicContact CZ-OE2 3.6Å; R212-E252 IonicContact NE-OE1 2.88Å; R212-E252 PolarHBondContact NE-OE1 2.64Å; R212-E252 IonicContact NH2-OE1 2.64Å; R212-E252 PolarHBondContact NH2-OE1 3.42Å; R212-E252 IonicContact NH2-OE2 2.79Å; R212-E252 PolarHBondContact NH2-OE2 3.5Å; L230-E252 HydrophobicContact CD1-CG 3.97Å; L230-E252 HydrophobicContact CD2-CG 4.41Å; S248-E252 PolarHBondContact O-N 3.15Å; L249-E252 WeakPolarHBondContact O-CB 3.1Å; L249-E252 PolarHBondContact O-N 3.37Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 2.79Å; E252-H255 WeakPolarHBondContact O-CB 3.07Å; E252-H255 PolarHBondContact O-N 3.29Å; E252-H256 PolarHBondContact O-CD2 3.36Å; E252-H256 VanDerWaalsContact O-CD2 3.31Å
253	L	95.6	Very high	94.5	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-55.5	-39.7	176.7	179.7	57.3	0	0	0	112.8	E227 L230 D231 L249 S250 H251 H255 H256 D257 V263	E227-L253 HydrophobicContact CB-CD1 3.74Å; E227-L253 HydrophobicContact CG-CD1 4.03Å; L230-L253 HydrophobicContact CB-CB 4.33Å; L230-L253 HydrophobicContact CB-CD1 4.42Å; L230-L253 HydrophobicContact CD1-CB 4.48Å; D231-L253 HydrophobicContact CB-CD2 3.71Å; L249-L253 PolarHBondContact O-N 3.25Å; S250-L253 PolarHBondContact O-N 3.28Å; H251-L253 VanDerWaalsContact C-N 3.32Å; H251-L253 PolarHBondContact O-N 2.65Å; L253-H255 VanDerWaalsContact C-N 3.26Å; L253-H255 PolarHBondContact O-N 3.35Å; L253-H256 WeakPolarHBondContact O-CB 3.47Å; L253-H256 PolarHBondContact O-N 3.11Å; L253-H256 VanDerWaalsContact O-N 3.07Å; L253-D257 PolarHBondContact O-N 3Å; L253-V263 HydrophobicContact CD2-CG1 4.34Å; L253-V263 HydrophobicContact CD2-CG2 3.48Å; L253-V263 VanDerWaalsContact CD2-CG2 3.48Å; L253-V263 HydrophobicContact CG-CG2 4.19Å
254	L	95.2	Very high	94.6	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-19.6	175.3	-74.5	-172.3	0	0	0	114.7	S250 H251 E252 D257 P258 N260 V263 L264 I267	S250-L254 PolarHBondContact O-N 3.44Å; S250-L254 VanDerWaalsContact O-N 3.13Å; H251-L254 PolarHBondContact O-N 3.44Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 2.79Å; L254-D257 VanDerWaalsContact CD2-O 3.32Å; L254-D257 WeakPolarHBondContact CD2-O 3.28Å; L254-D257 CarbonylContact O-C 3.5Å; L254-P258 WeakPolarHBondContact O-CA 3.28Å; L254-P258 WeakPolarHBondContact O-CG 3.13Å; L254-N260 HydrophobicContact CD2-CB 3.98Å; L254-V263 HydrophobicContact CD1-CG1 4.43Å; L254-V263 HydrophobicContact CD2-CB 3.92Å; L254-V263 HydrophobicContact CD2-CG1 3.86Å; L254-V263 HydrophobicContact CG-CB 4.36Å; L254-V263 HydrophobicContact CG-CG1 3.74Å; L254-L264 HydrophobicContact CD1-CD2 3.55Å; L254-L264 HydrophobicContact CD1-CG 4.05Å; L254-L264 HydrophobicContact CD2-CG 4.19Å; L254-I267 HydrophobicContact CD1-CD1 3.3Å; L254-I267 HydrophobicContact CG-CD1 4.02Å
255	H	94.1	Very high	94.6	Very high	154 Å²	154	59.9 Å²	59.9	71%	0.713	30%	0.303	S	S	*	.	H	α-helix	trans	-69.6	-30.2	171.1	-67.9	78.1	0	0	0	111	H251 E252 L253	H251-H255 PolarHBondContact O-CE1 2.8Å; H251-H255 PolarHBondContact O-N 2.76Å; H251-H255 PolarHBondContact O-ND1 3.12Å; E252-H255 WeakPolarHBondContact O-CB 3.07Å; E252-H255 PolarHBondContact O-N 3.29Å; L253-H255 VanDerWaalsContact C-N 3.26Å; L253-H255 PolarHBondContact O-N 3.35Å
256	H	90.1	Very high	94.6	Very high	91 Å²	91	57.6 Å²	57.6	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-85.1	-42.3	177	-65.5	-86.1	0	0	0	112.2	E227 E252 L253	E227-H256 HydrophobicContact CG-CB 3.84Å; E227-H256 IonicContact OE1-CG 3.38Å; E227-H256 IonicContact OE1-ND1 2.76Å; E252-H256 PolarHBondContact O-CD2 3.36Å; E252-H256 VanDerWaalsContact O-CD2 3.31Å; L253-H256 WeakPolarHBondContact O-CB 3.47Å; L253-H256 PolarHBondContact O-N 3.11Å; L253-H256 VanDerWaalsContact O-N 3.07Å
257	D	91.6	Very high	94.6	Very high	62 Å²	62	58 Å²	58	33%	0.332	30%	0.299	S	S	.	.			trans	-127.4	81.6	177.9	-178.8	11.5	0	0	0	111.6	L253 L254 M259 N260	L253-D257 PolarHBondContact O-N 3Å; L254-D257 VanDerWaalsContact CD2-O 3.32Å; L254-D257 WeakPolarHBondContact CD2-O 3.28Å; L254-D257 CarbonylContact O-C 3.5Å; D257-M259 PolarHBondContact O-N 3.13Å; D257-M259 VanDerWaalsContact O-N 3.11Å; D257-M259 PolarHBondContact OD1-N 3.25Å; D257-N260 HydrophobicContact CB-CB 4.34Å; D257-N260 WeakPolarHBondContact O-CB 3.28Å; D257-N260 PolarHBondContact O-N 2.76Å; D257-N260 VanDerWaalsContact OD2-CB 3.3Å; D257-N260 WeakPolarHBondContact OD2-CB 3.32Å; D257-N260 PolarHBondContact OD2-ND2 2.86Å
258	P	93.1	Very high	94.5	Very high	73 Å²	73	63.2 Å²	63.2	47%	0.474	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.5	-175.3	-23.7	33.6	0	0	0	114.8	L254	L254-P258 WeakPolarHBondContact O-CA 3.28Å; L254-P258 WeakPolarHBondContact O-CG 3.13Å
259	M	92.3	Very high	94.4	Very high	160 Å²	160	65.5 Å²	65.5	79%	0.788	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	8.5	-175.2	-63.3	-64.1	114.6	0	0	112.6	D257 G261	D257-M259 PolarHBondContact O-N 3.13Å; D257-M259 VanDerWaalsContact O-N 3.11Å; D257-M259 PolarHBondContact OD1-N 3.25Å; M259-G261 PolarHBondContact O-N 3.48Å
260	N	92.8	Very high	94.3	Very high	31 Å²	31	65.6 Å²	65.6	17%	0.166	33%	0.326	C	S	.	.			trans	-69.9	91.5	-178.9	-156.6	-55.2	0	0	0	112.3	L254 D257 R262 V263 L264	L254-N260 HydrophobicContact CD2-CB 3.98Å; D257-N260 HydrophobicContact CB-CB 4.34Å; D257-N260 WeakPolarHBondContact O-CB 3.28Å; D257-N260 PolarHBondContact O-N 2.76Å; D257-N260 VanDerWaalsContact OD2-CB 3.3Å; D257-N260 WeakPolarHBondContact OD2-CB 3.32Å; D257-N260 PolarHBondContact OD2-ND2 2.86Å; N260-R262 PolarHBondContact O-N 2.87Å; N260-R262 PolarHBondContact OD1-N 3.44Å; N260-V263 HydrophobicContact CB-CB 4.05Å; N260-V263 HydrophobicContact CB-CG2 3.99Å; N260-V263 VanDerWaalsContact CG-CG2 3.48Å; N260-V263 PolarHBondContact O-N 3.45Å; N260-V263 VanDerWaalsContact O-N 3.14Å; N260-V263 WeakPolarHBondContact OD1-CG2 3.45Å; N260-V263 PolarHBondContact OD1-N 2.96Å; N260-L264 PolarHBondContact O-N 3.47Å; N260-L264 VanDerWaalsContact O-N 3.07Å
261	G	92.5	Very high	94.1	Very high	41 Å²	41	70.2 Å²	70.2	42%	0.423	35%	0.347	S	S	.	.	H	α-helix	trans	-58.7	-31.4	-177.2	0	0	0	0	0	114.4	M259 Q265	M259-G261 PolarHBondContact O-N 3.48Å; G261-Q265 WeakPolarHBondContact O-CG 3.26Å; G261-Q265 PolarHBondContact O-N 3.29Å
262	R	95.5	Very high	93.9	Very high	119 Å²	119	74.7 Å²	74.7	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-69.7	-44.2	177	177.5	-178.9	55.9	128.5	-3.4	111.3	D231 N260 Q265 N266	D231-R262 VanDerWaalsContact CG-NH1 3.32Å; D231-R262 IonicContact OD1-CZ 3.34Å; D231-R262 IonicContact OD1-NH1 3.08Å; D231-R262 PolarHBondContact OD1-NH1 3.04Å; D231-R262 VanDerWaalsContact OD1-NH1 3.08Å; D231-R262 IonicContact OD1-NH2 3.22Å; D231-R262 PolarHBondContact OD1-NH2 3.38Å; D231-R262 IonicContact OD2-CZ 3.11Å; D231-R262 IonicContact OD2-NH1 2.75Å; D231-R262 PolarHBondContact OD2-NH1 3.27Å; D231-R262 IonicContact OD2-NH2 2.63Å; D231-R262 PolarHBondContact OD2-NH2 3.39Å; N260-R262 PolarHBondContact O-N 2.87Å; N260-R262 PolarHBondContact OD1-N 3.44Å; R262-Q265 PolarHBondContact O-N 2.88Å; R262-N266 PolarHBondContact O-N 3.17Å
263	V	94.8	Very high	93.6	Very high	1 Å²	1	75.6 Å²	75.6	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-67.3	-39.4	-179.7	179.1	0	0	0	0	110.6	S250 L253 L254 N260 Q265 N266 I267	S250-V263 WeakPolarHBondContact O-CG1 3.2Å; L253-V263 HydrophobicContact CD2-CG1 4.34Å; L253-V263 HydrophobicContact CD2-CG2 3.48Å; L253-V263 VanDerWaalsContact CD2-CG2 3.48Å; L253-V263 HydrophobicContact CG-CG2 4.19Å; L254-V263 HydrophobicContact CD1-CG1 4.43Å; L254-V263 HydrophobicContact CD2-CB 3.92Å; L254-V263 HydrophobicContact CD2-CG1 3.86Å; L254-V263 HydrophobicContact CG-CB 4.36Å; L254-V263 HydrophobicContact CG-CG1 3.74Å; N260-V263 HydrophobicContact CB-CB 4.05Å; N260-V263 HydrophobicContact CB-CG2 3.99Å; N260-V263 VanDerWaalsContact CG-CG2 3.48Å; N260-V263 PolarHBondContact O-N 3.45Å; N260-V263 VanDerWaalsContact O-N 3.14Å; N260-V263 WeakPolarHBondContact OD1-CG2 3.45Å; N260-V263 PolarHBondContact OD1-N 2.96Å; V263-Q265 VanDerWaalsContact C-N 3.33Å; V263-Q265 PolarHBondContact O-N 3.37Å; V263-N266 WeakPolarHBondContact O-CB 3.46Å; V263-N266 PolarHBondContact O-N 3.49Å; V263-N266 VanDerWaalsContact O-N 3.13Å; V263-I267 HydrophobicContact CG1-CD1 4.14Å; V263-I267 WeakPolarHBondContact O-CG1 3.36Å; V263-I267 PolarHBondContact O-N 3.4Å
264	L	95.1	Very high	93.2	Very high	78 Å²	78	78.3 Å²	78.3	41%	0.408	39%	0.386	S	S	.	.	H	α-helix	trans	-55.7	-46.1	172.6	-75.1	165.8	0	0	0	112.1	L254 N260 N266 I267 E268	L254-L264 HydrophobicContact CD1-CD2 3.55Å; L254-L264 HydrophobicContact CD1-CG 4.05Å; L254-L264 HydrophobicContact CD2-CG 4.19Å; N260-L264 PolarHBondContact O-N 3.47Å; N260-L264 VanDerWaalsContact O-N 3.07Å; L264-N266 PolarHBondContact O-N 3.21Å; L264-I267 PolarHBondContact O-N 2.72Å; L264-E268 PolarHBondContact O-N 3.33Å
265	Q	94.6	Very high	92.6	Very high	131 Å²	131	80.7 Å²	80.7	61%	0.612	42%	0.417	S	S	*	.	H	α-helix	trans	-64.9	-37.3	176.1	-70.3	173.2	9	0	0	112.8	G261 R262 V263 K269	G261-Q265 WeakPolarHBondContact O-CG 3.26Å; G261-Q265 PolarHBondContact O-N 3.29Å; R262-Q265 PolarHBondContact O-N 2.88Å; V263-Q265 VanDerWaalsContact C-N 3.33Å; V263-Q265 PolarHBondContact O-N 3.37Å; Q265-K269 WeakPolarHBondContact O-CB 3.07Å; Q265-K269 PolarHBondContact O-N 3.36Å; Q265-K269 VanDerWaalsContact O-N 3.16Å
266	N	94.2	Very high	91.8	Very high	32 Å²	32	77.8 Å²	77.8	17%	0.171	41%	0.414	C	S	.	.	H	α-helix	trans	-63.9	-42	176.1	-74.7	-18.7	0	0	0	111.4	R262 V263 L264 K269 Y270	R262-N266 PolarHBondContact O-N 3.17Å; V263-N266 WeakPolarHBondContact O-CB 3.46Å; V263-N266 PolarHBondContact O-N 3.49Å; V263-N266 VanDerWaalsContact O-N 3.13Å; L264-N266 PolarHBondContact O-N 3.21Å; N266-K269 WeakPolarHBondContact O-CB 3.46Å; N266-K269 PolarHBondContact O-N 2.84Å; N266-Y270 HydrophobicContact CB-CE2 3.95Å; N266-Y270 WeakPolarHBondContact O-CB 3.44Å; N266-Y270 WeakPolarHBondContact O-CD1 3.4Å; N266-Y270 WeakPolarHBondContact O-CD2 3.45Å; N266-Y270 PolarHBondContact O-N 3.28Å
267	I	95.1	Very high	90.6	Very high	10 Å²	10	75.9 Å²	75.9	5%	0.051	41%	0.414	C	S	.	.	H	α-helix	trans	-59.6	-52.6	176.9	-73.6	168.4	0	0	0	111	L247 L254 V263 L264 K269 Y270 E271	L247-I267 HydrophobicContact CD1-CB 4.18Å; L247-I267 HydrophobicContact CD1-CG1 4.02Å; L247-I267 HydrophobicContact CD1-CG2 3.84Å; L254-I267 HydrophobicContact CD1-CD1 3.3Å; L254-I267 HydrophobicContact CG-CD1 4.02Å; V263-I267 HydrophobicContact CG1-CD1 4.14Å; V263-I267 WeakPolarHBondContact O-CG1 3.36Å; V263-I267 PolarHBondContact O-N 3.4Å; L264-I267 PolarHBondContact O-N 2.72Å; I267-K269 PolarHBondContact O-N 2.9Å; I267-Y270 PolarHBondContact O-N 2.88Å; I267-E271 HydrophobicContact CG2-CG 4.28Å; I267-E271 WeakPolarHBondContact O-CG 3.4Å; I267-E271 PolarHBondContact O-N 3.49Å
268	E	94.8	Very high	89.1	Confident	133 Å²	133	75.6 Å²	75.6	62%	0.621	43%	0.426	S	S	*	.	H	α-helix	trans	-54.9	-40.5	177.9	-70.3	179.6	-176.7	0	0	111.7	L264 K272	L264-E268 PolarHBondContact O-N 3.33Å; E268-K272 WeakPolarHBondContact O-CB 3.16Å; E268-K272 PolarHBondContact O-N 3.3Å; E268-K272 VanDerWaalsContact O-N 3.11Å
269	K	93.7	Very high	87.3	Confident	103 Å²	103	78.9 Å²	78.9	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-65.6	-46	176.4	179.4	-176.9	176.7	-175.6	0	111.9	Q265 N266 I267 K272 L273	Q265-K269 WeakPolarHBondContact O-CB 3.07Å; Q265-K269 PolarHBondContact O-N 3.36Å; Q265-K269 VanDerWaalsContact O-N 3.16Å; N266-K269 WeakPolarHBondContact O-CB 3.46Å; N266-K269 PolarHBondContact O-N 2.84Å; I267-K269 PolarHBondContact O-N 2.9Å; K269-K272 PolarHBondContact O-N 3.07Å; K269-L273 HydrophobicContact CG-CD1 4.28Å; K269-L273 WeakPolarHBondContact O-CG 3.43Å; K269-L273 PolarHBondContact O-N 2.92Å
270	Y	94.3	Very high	85.5	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.008	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-44	-178.9	-62.1	-19.8	0	0	0	111.6	F238 V243 A246 L247 N266 I267 K272 L273 L274	F238-Y270 HydrophobicContact CB-CE1 3.9Å; F238-Y270 HydrophobicContact CD1-CE1 4.16Å; F238-Y270 AromaticContact CD2-CD1 3.69Å; F238-Y270 HydrophobicContact CD2-CD1 3.69Å; F238-Y270 AromaticContact CD2-CE1 3.22Å; F238-Y270 HydrophobicContact CD2-CE1 3.22Å; F238-Y270 HydrophobicContact CE2-CD1 4.05Å; F238-Y270 AromaticContact CE2-CE1 3.74Å; F238-Y270 HydrophobicContact CE2-CE1 3.74Å; F238-Y270 HydrophobicContact CG-CD1 4.36Å; F238-Y270 AromaticContact CG-CE1 3.47Å; F238-Y270 HydrophobicContact CG-CE1 3.47Å; F238-Y270 VanDerWaalsContact CG-CE1 3.47Å; F238-Y270 AromaticContact CG-CZ 3.93Å; F238-Y270 HydrophobicContact CZ-CE1 4.4Å; V243-Y270 HydrophobicContact CG1-CD1 4.18Å; V243-Y270 HydrophobicContact CG1-CG 4.16Å; A246-Y270 HydrophobicContact CB-CD2 4.32Å; A246-Y270 HydrophobicContact CB-CE2 4.01Å; L247-Y270 HydrophobicContact CB-CD2 4.37Å; N266-Y270 HydrophobicContact CB-CE2 3.95Å; N266-Y270 WeakPolarHBondContact O-CB 3.44Å; N266-Y270 WeakPolarHBondContact O-CD1 3.4Å; N266-Y270 WeakPolarHBondContact O-CD2 3.45Å; N266-Y270 PolarHBondContact O-N 3.28Å; I267-Y270 PolarHBondContact O-N 2.88Å; Y270-K272 VanDerWaalsContact C-N 3.33Å; Y270-K272 PolarHBondContact O-N 3.14Å; Y270-L273 PolarHBondContact O-N 3.04Å; Y270-L274 WeakPolarHBondContact O-CG 3.47Å; Y270-L274 PolarHBondContact O-N 3Å
271	E	93.8	Very high	83.6	Confident	101 Å²	101	77.7 Å²	77.7	47%	0.472	46%	0.462	S	S	.	.	H	α-helix	trans	-57.8	-45	174.3	-71.4	-180	155.2	0	0	111.6	L247 I267 L273 L274 G275	L247-E271 HydrophobicContact CD1-CG 4.12Å; L247-E271 HydrophobicContact CD2-CG 4.02Å; I267-E271 HydrophobicContact CG2-CG 4.28Å; I267-E271 WeakPolarHBondContact O-CG 3.4Å; I267-E271 PolarHBondContact O-N 3.49Å; E271-L273 PolarHBondContact O-N 3.02Å; E271-L274 PolarHBondContact O-N 3.4Å; E271-G275 PolarHBondContact O-N 3.26Å
272	K	92.4	Very high	81.8	Confident	166 Å²	166	84.7 Å²	84.7	72%	0.722	48%	0.484	S	S	*	.	H	α-helix	trans	-61.9	-42.4	176.6	-174.7	178	-178.5	178.1	0	112.3	E268 K269 Y270 G275 S276	E268-K272 WeakPolarHBondContact O-CB 3.16Å; E268-K272 PolarHBondContact O-N 3.3Å; E268-K272 VanDerWaalsContact O-N 3.11Å; K269-K272 PolarHBondContact O-N 3.07Å; Y270-K272 VanDerWaalsContact C-N 3.33Å; Y270-K272 PolarHBondContact O-N 3.14Å; K272-G275 PolarHBondContact O-N 2.86Å; K272-S276 WeakPolarHBondContact O-CB 3.26Å; K272-S276 PolarHBondContact O-N 3.35Å; K272-S276 VanDerWaalsContact O-N 3.16Å; K272-S276 PolarHBondContact O-OG 2.85Å
273	L	90.2	Very high	80.3	Confident	70 Å²	70	89 Å²	89	37%	0.366	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-44.9	177.7	-73.4	170.5	0	0	0	111.1	F238 V243 K269 Y270 E271 S276 A277	F238-L273 HydrophobicContact CE2-CD1 3.66Å; F238-L273 HydrophobicContact CZ-CD1 4.41Å; V243-L273 HydrophobicContact CG1-CB 4.42Å; K269-L273 HydrophobicContact CG-CD1 4.28Å; K269-L273 WeakPolarHBondContact O-CG 3.43Å; K269-L273 PolarHBondContact O-N 2.92Å; Y270-L273 PolarHBondContact O-N 3.04Å; E271-L273 PolarHBondContact O-N 3.02Å; L273-S276 PolarHBondContact O-N 3.06Å; L273-S276 PolarHBondContact O-OG 2.91Å; L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 2.75Å
274	L	88.2	Confident	79.1	Confident	61 Å²	61	92.8 Å²	92.8	32%	0.319	53%	0.527	S	S	.	.	H	α-helix	trans	-66.1	-36.2	177.3	-68.2	171.8	0	0	0	112.8	V243 L247 Y270 E271 S276	V243-L274 HydrophobicContact CB-CD2 4.08Å; V243-L274 HydrophobicContact CB-CG 4.42Å; V243-L274 HydrophobicContact CG1-CD1 4.38Å; V243-L274 HydrophobicContact CG1-CD2 4.18Å; V243-L274 HydrophobicContact CG1-CG 3.97Å; L247-L274 HydrophobicContact CD2-CD1 3.72Å; Y270-L274 WeakPolarHBondContact O-CG 3.47Å; Y270-L274 PolarHBondContact O-N 3Å; E271-L274 PolarHBondContact O-N 3.4Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.43Å
275	G	82.3	Confident	78.5	Confident	76 Å²	76	92 Å²	92	78%	0.784	52%	0.522	S	S	*	.	H	α-helix	trans	-70.5	-20.2	175.4	0	0	0	0	0	114.2	E271 K272	E271-G275 PolarHBondContact O-N 3.26Å; K272-G275 PolarHBondContact O-N 2.86Å
276	S	76.9	Confident	77.8	Confident	93 Å²	93	95.7 Å²	95.7	65%	0.65	53%	0.531	S	S	*	.	H	α-helix	trans	-99.8	-18	-179.3	68.3	0	0	0	0	114.6	K272 L273 L274	K272-S276 WeakPolarHBondContact O-CB 3.26Å; K272-S276 PolarHBondContact O-N 3.35Å; K272-S276 VanDerWaalsContact O-N 3.16Å; K272-S276 PolarHBondContact O-OG 2.85Å; L273-S276 PolarHBondContact O-N 3.06Å; L273-S276 PolarHBondContact O-OG 2.91Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.43Å
277	A	64	Low	77.1	Confident	51 Å²	51	97.3 Å²	97.3	42%	0.421	53%	0.534	S	S	.	.	S	Bend	trans	-100.7	132.5	-179.5	0	0	0	0	0	110.8	L273	L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 2.75Å
278	G	60.3	Low	76	Confident	56 Å²	56	99.9 Å²	99.9	58%	0.577	55%	0.552	S	S	*	*			trans	-61.9	169	165.6	0	0	0	0	0	111.3	T280	G278-T280 PolarHBondContact O-N 3.1Å
279	P	55.6	Low	74.6	Confident	142 Å²	142	97.2 Å²	97.2	92%	0.922	56%	0.56	S	S	*	*			trans	-56.4	100.9	-173.4	22.1	-31.1	0	0	0	110.7	G281	P279-G281 PolarHBondContact O-N 2.84Å
280	T	53.9	Low	73.1	Confident	105 Å²	105	94.3 Å²	94.3	64%	0.644	55%	0.553	S	S	*	*			trans	-79.7	107.1	173.6	46	0	0	0	0	106.7	G278	G278-T280 PolarHBondContact O-N 3.1Å
281	G	54.3	Low	71.2	Confident	61 Å²	61	100.4 Å²	100.4	63%	0.629	60%	0.596	S	S	*	*			trans	-53.1	147.9	171	0	0	0	0	0	110.8	P279 R283	P279-G281 PolarHBondContact O-N 2.84Å; G281-R283 PolarHBondContact O-N 2.78Å
282	E	54.3	Low	69.5	Low	187 Å²	187	99.7 Å²	99.7	87%	0.874	60%	0.602	S	S	*	*			trans	-47.1	112.9	177.6	-78.2	178	154.2	0	0	110.3	S284	E282-S284 PolarHBondContact O-N 2.76Å
283	R	63.3	Low	68.5	Low	210 Å²	210	93 Å²	93	79%	0.792	57%	0.574	S	S	*	*			trans	-76.5	112	169	-83.6	-177.2	166	-173.8	-2.8	107.2	G281 L285	G281-R283 PolarHBondContact O-N 2.78Å; R283-L285 PolarHBondContact O-N 3.33Å
284	S	70.4	Confident	67.9	Low	81 Å²	81	96.5 Å²	96.5	57%	0.566	60%	0.598	S	S	*	*			trans	-49.3	131.8	169.5	60.9	0	0	0	0	109.7	E282 R286	E282-S284 PolarHBondContact O-N 2.76Å; S284-R286 WeakPolarHBondContact O-CG 3.49Å; S284-R286 PolarHBondContact O-N 2.9Å
285	L	82.1	Confident	67.9	Low	60 Å²	60	94.4 Å²	94.4	31%	0.314	59%	0.588	S	S	.	*			trans	-53.5	123.5	173.6	-155	83.1	0	0	0	109	Y198 V201 Q202 T240 R283	Y198-L285 HydrophobicContact CD2-CB 4.43Å; Y198-L285 HydrophobicContact CD2-CD2 3.52Å; Y198-L285 HydrophobicContact CD2-CG 3.79Å; Y198-L285 HydrophobicContact CE2-CD2 3.99Å; Y198-L285 HydrophobicContact CE2-CG 4.48Å; Y198-L285 HydrophobicContact CG-CD2 4.22Å; Y198-L285 VanDerWaalsContact O-CD2 3.3Å; Y198-L285 WeakPolarHBondContact O-CD2 3.41Å; V201-L285 HydrophobicContact CB-CD1 3.95Å; V201-L285 HydrophobicContact CB-CD2 4.36Å; V201-L285 HydrophobicContact CG1-CD1 3.95Å; V201-L285 HydrophobicContact CG1-CD2 4.38Å; V201-L285 HydrophobicContact CG2-CD1 4.05Å; Q202-L285 HydrophobicContact CG-CD2 3.77Å; T240-L285 HydrophobicContact CG2-CD1 3.78Å; R283-L285 PolarHBondContact O-N 3.33Å
286	R	79.3	Confident	68.1	Low	209 Å²	209	93 Å²	93	79%	0.789	56%	0.559	S	S	*	*			trans	-111.9	129.9	180	-67.8	-170.3	-178.3	-164.2	-1.3	109.6	S284	S284-R286 WeakPolarHBondContact O-CG 3.49Å; S284-R286 PolarHBondContact O-N 2.9Å
287	R	81	Confident	68.7	Low	67 Å²	67	94.8 Å²	94.8	25%	0.253	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-60.5	134.2	171.4	-168.3	173.4	-179.6	-153	4	109.6	D145 Y198 G289 R296 E300	D145-R287 IonicContact OD1-CZ 3Å; D145-R287 IonicContact OD1-NE 3.37Å; D145-R287 PolarHBondContact OD1-NE 3.12Å; D145-R287 IonicContact OD1-NH2 2.68Å; D145-R287 PolarHBondContact OD1-NH2 2.9Å; D145-R287 IonicContact OD2-CZ 2.76Å; D145-R287 IonicContact OD2-NE 3.08Å; D145-R287 PolarHBondContact OD2-NE 3.44Å; D145-R287 IonicContact OD2-NH2 3.35Å; D145-R287 PolarHBondContact OD2-NH2 3.46Å; Y198-R287 HydrophobicContact CD1-CB 4.17Å; Y198-R287 HydrophobicContact CD1-CG 3.97Å; Y198-R287 HydrophobicContact CD2-CB 4.11Å; Y198-R287 HydrophobicContact CE1-CB 4.08Å; Y198-R287 HydrophobicContact CE1-CG 3.88Å; Y198-R287 HydrophobicContact CE2-CB 4.03Å; Y198-R287 HydrophobicContact CG-CB 4.2Å; Y198-R287 HydrophobicContact CG-CG 4.44Å; R287-G289 PolarHBondContact O-N 3.01Å; R287-R296 VanDerWaalsContact NE-NH2 3.11Å; R287-R296 VanDerWaalsContact NH2-NE 3.15Å; R287-E300 IonicContact CZ-OE1 3.51Å; R287-E300 IonicContact CZ-OE2 2.68Å; R287-E300 VanDerWaalsContact NH1-CD 3.33Å; R287-E300 IonicContact NH1-OE1 2.72Å; R287-E300 PolarHBondContact NH1-OE1 3.13Å; R287-E300 VanDerWaalsContact NH1-OE1 3.08Å; R287-E300 IonicContact NH1-OE2 2.91Å; R287-E300 PolarHBondContact NH1-OE2 2.67Å; R287-E300 IonicContact NH2-OE1 3.2Å; R287-E300 PolarHBondContact NH2-OE1 3.42Å; R287-E300 IonicContact NH2-OE2 3.45Å
288	P	71.9	Confident	70.1	Confident	63 Å²	63	94.5 Å²	94.5	41%	0.409	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-57	133.3	174	-23.9	32.6	0	0	0	110.4	S290	P288-S290 PolarHBondContact O-N 3.24Å
289	G	64.9	Low	71.7	Confident	78 Å²	78	92.3 Å²	92.3	80%	0.804	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-64.8	126.3	171.3	0	0	0	0	0	109.5	R287	R287-G289 PolarHBondContact O-N 3.01Å
290	S	61.5	Low	73.4	Confident	42 Å²	42	86.6 Å²	86.6	29%	0.294	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-78.3	123.7	171.3	51.5	0	0	0	0	109.5	P288 S292 R296	P288-S290 PolarHBondContact O-N 3.24Å; S290-S292 PolarHBondContact O-N 3.49Å; S290-R296 WeakPolarHBondContact OG-CD 3.48Å; S290-R296 PolarHBondContact OG-NH1 3.32Å
291	S	53.9	Low	75.3	Confident	130 Å²	130	87 Å²	87	91%	0.909	48%	0.479	S	S	*	.	S	Bend	trans	-72.3	-14.9	170	52.1	0	0	0	0	113.3
292	S	59.5	Low	77.2	Confident	86 Å²	86	84.1 Å²	84.1	60%	0.601	45%	0.449	S	S	*	.	S	Bend	trans	-89.7	-26.6	-169	53.1	0	0	0	0	115.4	S290	S290-S292 PolarHBondContact O-N 3.49Å
293	L	71.2	Confident	79	Confident	26 Å²	26	75.2 Å²	75.2	14%	0.136	41%	0.408	C	S	.	.			trans	-130.6	94.8	-169.4	-107.2	157.9	0	0	0	111.7	T295 R296 E437 P438	L293-T295 PolarHBondContact O-N 3.09Å; L293-R296 HydrophobicContact CB-CB 4.32Å; L293-R296 WeakPolarHBondContact O-CB 3.44Å; L293-R296 PolarHBondContact O-N 3.24Å; L293-E437 HydrophobicContact CD1-CB 4.14Å; L293-E437 HydrophobicContact CD1-CG 3.69Å; L293-E437 WeakPolarHBondContact CD1-OE2 3.48Å; L293-P438 HydrophobicContact CD2-CB 4.07Å; L293-P438 HydrophobicContact CD2-CG 3.53Å
294	T	78	Confident	80.4	Confident	143 Å²	143	67.1 Å²	67.1	88%	0.877	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.7	178.1	52.7	0	0	0	0	113
295	T	86.3	Confident	81.3	Confident	16 Å²	16	64.7 Å²	64.7	10%	0.098	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	14.2	-177	55.8	0	0	0	0	113.9	L293 D297 T298 Y299 I478 Y479 L508	L293-T295 PolarHBondContact O-N 3.09Å; T295-D297 PolarHBondContact O-N 2.7Å; T295-T298 PolarHBondContact O-N 3.32Å; T295-Y299 PolarHBondContact O-N 3.45Å; T295-I478 HydrophobicContact CG2-CG2 3.87Å; T295-Y479 HydrophobicContact CG2-CE1 3.75Å; T295-L508 HydrophobicContact CG2-CD2 4.38Å
296	R	87.9	Confident	81.5	Confident	48 Å²	48	64.9 Å²	64.9	18%	0.181	36%	0.361	C	S	.	.	H	α-helix	trans	-51.1	-51.4	-174.3	-172.8	-177.4	-164.5	159.8	3.6	113.5	D145 R287 S290 L293 T298 Y299 E300	D145-R296 IonicContact OD2-NH2 3.58Å; R287-R296 VanDerWaalsContact NE-NH2 3.11Å; R287-R296 VanDerWaalsContact NH2-NE 3.15Å; S290-R296 WeakPolarHBondContact OG-CD 3.48Å; S290-R296 PolarHBondContact OG-NH1 3.32Å; L293-R296 HydrophobicContact CB-CB 4.32Å; L293-R296 WeakPolarHBondContact O-CB 3.44Å; L293-R296 PolarHBondContact O-N 3.24Å; R296-T298 VanDerWaalsContact C-N 3.32Å; R296-T298 PolarHBondContact O-N 2.68Å; R296-Y299 WeakPolarHBondContact O-CB 3.32Å; R296-Y299 PolarHBondContact O-N 2.91Å; R296-Y299 VanDerWaalsContact O-N 3.16Å; R296-E300 HydrophobicContact CG-CG 4.27Å; R296-E300 VanDerWaalsContact CG-OE1 3.29Å; R296-E300 WeakPolarHBondContact CG-OE1 3.35Å; R296-E300 IonicContact NE-OE1 2.92Å; R296-E300 PolarHBondContact NE-OE1 3.38Å; R296-E300 WeakPolarHBondContact O-CG 3.31Å; R296-E300 PolarHBondContact O-N 2.99Å
297	D	90.1	Very high	81.6	Confident	129 Å²	129	55.5 Å²	55.5	69%	0.69	33%	0.329	S	S	*	.	H	α-helix	trans	-62.3	-41.2	-175.3	-63.6	-13	0	0	0	111.9	T295 R301	T295-D297 PolarHBondContact O-N 2.7Å; D297-R301 VanDerWaalsContact O-CB 3.24Å; D297-R301 WeakPolarHBondContact O-CB 3.26Å; D297-R301 PolarHBondContact O-N 3.39Å
298	T	92.3	Very high	81.5	Confident	46 Å²	46	56.4 Å²	56.4	28%	0.282	35%	0.346	S	S	.	.	H	α-helix	trans	-65.2	-46.2	175.1	-63.4	0	0	0	0	110.8	T295 R296 R301 L302 I478	T295-T298 PolarHBondContact O-N 3.32Å; R296-T298 VanDerWaalsContact C-N 3.32Å; R296-T298 PolarHBondContact O-N 2.68Å; T298-R301 PolarHBondContact O-N 3.21Å; T298-L302 HydrophobicContact CG2-CD1 4Å; T298-L302 HydrophobicContact CG2-CG 4.46Å; T298-L302 WeakPolarHBondContact O-CB 3.47Å; T298-L302 VanDerWaalsContact O-CG 3.24Å; T298-L302 WeakPolarHBondContact O-CG 3.47Å; T298-L302 PolarHBondContact O-N 3.35Å; T298-I478 HydrophobicContact CG2-CG2 3.85Å; T298-I478 WeakPolarHBondContact CG2-O 3.42Å
299	Y	93.1	Very high	81.2	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.035	34%	0.335	C	S	.	.	H	α-helix	trans	-58.3	-51.2	178	166.1	-114.4	0	0	0	112.1	V146 T295 R296 R301 L302 C303 P438 A476 I478 A510 P513	V146-Y299 HydrophobicContact CG2-CE1 4.29Å; T295-Y299 PolarHBondContact O-N 3.45Å; R296-Y299 WeakPolarHBondContact O-CB 3.32Å; R296-Y299 PolarHBondContact O-N 2.91Å; R296-Y299 VanDerWaalsContact O-N 3.16Å; Y299-R301 PolarHBondContact O-N 3.13Å; Y299-L302 PolarHBondContact O-N 3.24Å; Y299-C303 WeakPolarHBondContact CE2-SG 3.29Å; Y299-C303 PolarHBondContact O-N 3.46Å; Y299-C303 PolarHBondContact O-SG 2.92Å; Y299-P438 HydrophobicContact CD2-CG 4.31Å; Y299-P438 HydrophobicContact CG-CG 4.28Å; Y299-A476 HydrophobicContact CD2-CB 4.4Å; Y299-I478 HydrophobicContact CD2-CD1 3.98Å; Y299-I478 HydrophobicContact CG-CD1 4.43Å; Y299-A510 HydrophobicContact CD2-CB 3.59Å; Y299-A510 HydrophobicContact CE2-CB 3.38Å; Y299-P513 WeakPolarHBondContact OH-CD 3.46Å
300	E	93.1	Very high	80.6	Confident	22 Å²	22	56.3 Å²	56.3	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-43	-179.2	-67.9	179.8	-178.9	0	0	111.4	V146 R287 R296 L302 C303 L304	V146-E300 HydrophobicContact CG2-CG 4.19Å; R287-E300 IonicContact CZ-OE1 3.51Å; R287-E300 IonicContact CZ-OE2 2.68Å; R287-E300 VanDerWaalsContact NH1-CD 3.33Å; R287-E300 IonicContact NH1-OE1 2.72Å; R287-E300 PolarHBondContact NH1-OE1 3.13Å; R287-E300 VanDerWaalsContact NH1-OE1 3.08Å; R287-E300 IonicContact NH1-OE2 2.91Å; R287-E300 PolarHBondContact NH1-OE2 2.67Å; R287-E300 IonicContact NH2-OE1 3.2Å; R287-E300 PolarHBondContact NH2-OE1 3.42Å; R287-E300 IonicContact NH2-OE2 3.45Å; R296-E300 HydrophobicContact CG-CG 4.27Å; R296-E300 VanDerWaalsContact CG-OE1 3.29Å; R296-E300 WeakPolarHBondContact CG-OE1 3.35Å; R296-E300 IonicContact NE-OE1 2.92Å; R296-E300 PolarHBondContact NE-OE1 3.38Å; R296-E300 WeakPolarHBondContact O-CG 3.31Å; R296-E300 PolarHBondContact O-N 2.99Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 3.43Å; E300-C303 PolarHBondContact O-N 3.1Å; E300-L304 WeakPolarHBondContact O-CG 3.46Å; E300-L304 PolarHBondContact O-N 2.51Å
301	R	92.6	Very high	80.1	Confident	114 Å²	114	60.6 Å²	60.6	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-58.1	-42.3	173.2	179.7	-179.2	55.8	82.1	4.7	112.2	D297 T298 Y299 L304 N481	D297-R301 VanDerWaalsContact O-CB 3.24Å; D297-R301 WeakPolarHBondContact O-CB 3.26Å; D297-R301 PolarHBondContact O-N 3.39Å; T298-R301 PolarHBondContact O-N 3.21Å; Y299-R301 PolarHBondContact O-N 3.13Å; R301-L304 WeakPolarHBondContact O-CB 3.34Å; R301-L304 PolarHBondContact O-N 2.79Å; R301-N481 PolarHBondContact NH1-OD1 3.19Å; R301-N481 PolarHBondContact NH2-OD1 3.35Å
302	L	93.8	Very high	80.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.4	-38.3	178.1	-71.1	174.7	0	0	0	111.5	T298 Y299 E300 L304 T305 A476 F477 I478	T298-L302 HydrophobicContact CG2-CD1 4Å; T298-L302 HydrophobicContact CG2-CG 4.46Å; T298-L302 WeakPolarHBondContact O-CB 3.47Å; T298-L302 VanDerWaalsContact O-CG 3.24Å; T298-L302 WeakPolarHBondContact O-CG 3.47Å; T298-L302 PolarHBondContact O-N 3.35Å; Y299-L302 PolarHBondContact O-N 3.24Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 3.43Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 3.4Å; L302-T305 WeakPolarHBondContact O-CB 3.15Å; L302-T305 PolarHBondContact O-N 3.43Å; L302-T305 PolarHBondContact O-OG1 3.03Å; L302-A476 HydrophobicContact CB-CB 3.83Å; L302-A476 HydrophobicContact CD1-CB 4.17Å; L302-F477 WeakPolarHBondContact CD1-O 3.28Å; L302-I478 HydrophobicContact CD1-CD1 4.27Å
303	C	93.9	Very high	79.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-34.7	175.1	-63.9	0	0	0	0	112.9	V146 Y147 Y299 E300 T305 Q306 C512	V146-C303 HydrophobicContact CG1-CB 3.49Å; V146-C303 VanDerWaalsContact CG1-CB 3.49Å; Y147-C303 HydrophobicContact CE1-CB 4.37Å; Y299-C303 WeakPolarHBondContact CE2-SG 3.29Å; Y299-C303 PolarHBondContact O-N 3.46Å; Y299-C303 PolarHBondContact O-SG 2.92Å; E300-C303 PolarHBondContact O-N 3.1Å; C303-T305 PolarHBondContact O-N 3.43Å; C303-Q306 PolarHBondContact O-N 3.34Å; C303-C512 WeakPolarHBondContact CA-SG 3.45Å; C303-C512 HydrophobicContact CB-CB 3.74Å; C303-C512 WeakPolarHBondContact CB-SG 3.19Å; C303-C512 VanDerWaalsContact SG-CA 3.58Å; C303-C512 WeakPolarHBondContact SG-CB 3.4Å; C303-C512 CovalentContact SG-SG 2.04Å; C303-C512 PolarHBondContact SG-SG 3.26Å
304	L	91.8	Very high	79.4	Confident	40 Å²	40	68 Å²	68	21%	0.209	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-23.6	174.9	-76.4	168.6	0	0	0	113.9	Y147 E300 R301 L302 Q306	Y147-L304 HydrophobicContact CD1-CD2 4.35Å; Y147-L304 WeakPolarHBondContact O-CD2 3.38Å; E300-L304 WeakPolarHBondContact O-CG 3.46Å; E300-L304 PolarHBondContact O-N 2.51Å; R301-L304 WeakPolarHBondContact O-CB 3.34Å; R301-L304 PolarHBondContact O-N 2.79Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 3.4Å; L304-Q306 PolarHBondContact O-N 3.02Å
305	T	88.9	Confident	79.5	Confident	31 Å²	31	64.6 Å²	64.6	19%	0.19	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.3	175.5	68	0	0	0	0	112.8	L302 C303 G307 S308 Q309 S483	L302-T305 WeakPolarHBondContact O-CB 3.15Å; L302-T305 PolarHBondContact O-N 3.43Å; L302-T305 PolarHBondContact O-OG1 3.03Å; C303-T305 PolarHBondContact O-N 3.43Å; T305-G307 PolarHBondContact O-N 2.99Å; T305-G307 VanDerWaalsContact O-N 3.09Å; T305-S308 WeakPolarHBondContact O-CB 3.24Å; T305-S308 PolarHBondContact O-N 3Å; T305-S308 PolarHBondContact O-OG 3.31Å; T305-Q309 PolarHBondContact OG1-NE2 3.25Å; T305-S483 PolarHBondContact OG1-OG 3.21Å
306	Q	86.1	Confident	79.1	Confident	64 Å²	64	69.9 Å²	69.9	30%	0.299	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	29.9	-176.7	-52.9	-167	43.1	0	0	114	V170 C303 L304 S308	V170-Q306 PolarHBondContact O-NE2 3.35Å; C303-Q306 PolarHBondContact O-N 3.34Å; L304-Q306 PolarHBondContact O-N 3.02Å; Q306-S308 VanDerWaalsContact C-N 3.28Å; Q306-S308 PolarHBondContact O-N 3.47Å
307	G	82.3	Confident	78.9	Confident	11 Å²	11	68.9 Å²	68.9	11%	0.113	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-3.6	-175.8	0	0	0	0	0	115	T305 Q309 S483	T305-G307 PolarHBondContact O-N 2.99Å; T305-G307 VanDerWaalsContact O-N 3.09Å; G307-Q309 PolarHBondContact O-N 2.86Å; G307-S483 VanDerWaalsContact CA-OG 3.26Å; G307-S483 WeakPolarHBondContact CA-OG 3.22Å; G307-S483 PolarHBondContact N-OG 3.14Å
308	S	77.6	Confident	78.9	Confident	86 Å²	86	64.1 Å²	64.1	60%	0.601	34%	0.342	S	S	*	.			trans	-82.7	105	173.7	67.5	0	0	0	0	109.9	T305 Q306	T305-S308 WeakPolarHBondContact O-CB 3.24Å; T305-S308 PolarHBondContact O-N 3Å; T305-S308 PolarHBondContact O-OG 3.31Å; Q306-S308 VanDerWaalsContact C-N 3.28Å; Q306-S308 PolarHBondContact O-N 3.47Å
309	Q	67.2	Low	78.8	Confident	39 Å²	39	66.4 Å²	66.4	18%	0.182	35%	0.348	C	S	.	.			trans	-104.3	124.5	178.4	-67.9	-67.2	-28	0	0	110	T305 G307 M311 H312 F482 S483	T305-Q309 PolarHBondContact OG1-NE2 3.25Å; G307-Q309 PolarHBondContact O-N 2.86Å; Q309-M311 PolarHBondContact O-N 3.3Å; Q309-H312 PolarHBondContact O-N 2.85Å; Q309-F482 HydrophobicContact CG-CB 4.16Å; Q309-S483 PolarHBondContact NE2-OG 3.06Å
310	P	50.8	Low	78.8	Confident	101 Å²	101	70.3 Å²	70.3	66%	0.656	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-59.2	-31.8	177.9	-22.6	31.3	0	0	0	113.4	H312	P310-H312 VanDerWaalsContact C-N 3.29Å; P310-H312 PolarHBondContact O-N 2.97Å
311	M	52.7	Low	78.9	Confident	132 Å²	132	71.7 Å²	71.7	65%	0.65	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-77	-8.7	-171.4	-60.7	-142.2	-53.3	0	0	114.8	Q309 F313 E314 N315	Q309-M311 PolarHBondContact O-N 3.3Å; M311-F313 PolarHBondContact O-N 2.98Å; M311-F313 VanDerWaalsContact O-N 3.08Å; M311-E314 PolarHBondContact O-N 3.3Å; M311-E314 VanDerWaalsContact O-N 3.11Å; M311-N315 PolarHBondContact O-N 2.87Å
312	H	52.2	Low	79.1	Confident	46 Å²	46	71.9 Å²	71.9	21%	0.213	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-60.8	-23.8	-176	-136	-69.2	0	0	0	113.2	Q309 P310 E339 L341	Q309-H312 PolarHBondContact O-N 2.85Å; P310-H312 VanDerWaalsContact C-N 3.29Å; P310-H312 PolarHBondContact O-N 2.97Å; H312-E339 IonicContact CE1-OE1 3.2Å; H312-E339 PolarHBondContact CE1-OE1 3.21Å; H312-E339 VanDerWaalsContact CE1-OE1 3.22Å; H312-E339 IonicContact ND1-OE1 2.78Å; H312-E339 IonicContact NE2-OE1 2.76Å; H312-L341 WeakPolarHBondContact NE2-CD2 3.36Å
313	F	52.5	Low	79.2	Confident	193 Å²	193	73.4 Å²	73.4	85%	0.846	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-102.2	-6.4	-179.3	-59.1	-72.8	0	0	0	114.1	M311	M311-F313 PolarHBondContact O-N 2.98Å; M311-F313 VanDerWaalsContact O-N 3.08Å
314	E	65.2	Low	79.1	Confident	158 Å²	158	74.9 Å²	74.9	74%	0.738	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-21.6	-176.2	-66.1	-171	170.2	0	0	113.2	M311 P316	M311-E314 PolarHBondContact O-N 3.3Å; M311-E314 VanDerWaalsContact O-N 3.11Å; E314-P316 VanDerWaalsContact O-CD 3.29Å; E314-P316 WeakPolarHBondContact O-CD 3.43Å
315	N	78.2	Confident	79	Confident	71 Å²	71	74.4 Å²	74.4	38%	0.38	41%	0.406	S	S	.	.			trans	-91.9	107.7	177.6	-174.2	-11	0	0	0	111	M311 G317 L318	M311-N315 PolarHBondContact O-N 2.87Å; N315-G317 PolarHBondContact O-N 2.9Å; N315-G317 PolarHBondContact OD1-N 3.26Å; N315-L318 HydrophobicContact CB-CD1 4.07Å; N315-L318 HydrophobicContact CB-CG 4.01Å; N315-L318 PolarHBondContact O-N 2.93Å
316	P	78.9	Confident	78.9	Confident	128 Å²	128	80.2 Å²	80.2	83%	0.831	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.3	-178.8	29.8	-36.6	0	0	0	113.8	E314	E314-P316 VanDerWaalsContact O-CD 3.29Å; E314-P316 WeakPolarHBondContact O-CD 3.43Å
317	G	84.6	Confident	78.6	Confident	27 Å²	27	83.5 Å²	83.5	28%	0.278	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.3	173.2	0	0	0	0	0	114.3	N315 F319	N315-G317 PolarHBondContact O-N 2.9Å; N315-G317 PolarHBondContact OD1-N 3.26Å; G317-F319 WeakPolarHBondContact O-CD1 3.4Å
318	L	88.8	Confident	78.8	Confident	28 Å²	28	84.2 Å²	84.2	15%	0.147	46%	0.455	C	S	.	.			trans	-90.3	132.3	172.3	-56.1	-179.7	0	0	0	109.1	N315 V340 L343	N315-L318 HydrophobicContact CB-CD1 4.07Å; N315-L318 HydrophobicContact CB-CG 4.01Å; N315-L318 PolarHBondContact O-N 2.93Å; L318-V340 HydrophobicContact CD2-CG1 4.07Å; L318-L343 HydrophobicContact CD2-CD2 4.35Å; L318-L343 HydrophobicContact CD2-CG 3.99Å
319	F	91	Very high	79.4	Confident	94 Å²	94	85.1 Å²	85.1	41%	0.412	46%	0.458	S	S	.	.			trans	-152.1	163	-175.2	61.8	-89.9	0	0	0	111.9	G317 D321 V340	G317-F319 WeakPolarHBondContact O-CD1 3.4Å; F319-D321 HydrophobicContact CD2-CB 4.08Å; F319-D321 HydrophobicContact CE2-CB 4.15Å; F319-V340 HydrophobicContact CD1-CG2 4.42Å; F319-V340 HydrophobicContact CE1-CG2 4.02Å; F319-V340 HydrophobicContact CE2-CG2 4.18Å; F319-V340 HydrophobicContact CZ-CG2 3.89Å; F319-V340 PolarHBondContact O-N 2.86Å
320	C	93.1	Very high	80.4	Confident	91 Å²	91	85.9 Å²	85.9	62%	0.615	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	136.1	169.1	-54.5	0	0	0	0	109.9	R338	C320-R338 CarbonylContact C-O 3.58Å; C320-R338 WeakPolarHBondContact CA-O 3.46Å
321	D	95.4	Very high	82.5	Confident	52 Å²	52	81.6 Å²	81.6	28%	0.278	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	166.7	179.8	70.3	-27.6	0	0	0	113.5	F319 F323 R338	F319-D321 HydrophobicContact CD2-CB 4.08Å; F319-D321 HydrophobicContact CE2-CB 4.15Å; D321-F323 PolarHBondContact O-N 3.3Å; D321-R338 PolarHBondContact N-O 3.36Å; D321-R338 PolarHBondContact O-N 3.49Å; D321-R338 WeakPolarHBondContact OD1-CB 3.28Å; D321-R338 IonicContact OD1-CZ 3.5Å; D321-R338 IonicContact OD1-NE 2.87Å; D321-R338 PolarHBondContact OD1-NE 2.91Å; D321-R338 IonicContact OD1-NH2 3.51Å; D321-R338 PolarHBondContact OD1-NH2 2.85Å; D321-R338 IonicContact OD2-CZ 3.72Å; D321-R338 IonicContact OD2-NE 3.82Å; D321-R338 IonicContact OD2-NH2 3.52Å; D321-R338 PolarHBondContact OD2-NH2 3.37Å
322	L	96.3	Very high	84.3	Confident	117 Å²	117	79.8 Å²	79.8	61%	0.613	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	92	165.4	-69.6	-178	0	0	0	107.9	P335 V336 R337	L322-P335 HydrophobicContact CB-CB 3.78Å; L322-P335 HydrophobicContact CB-CG 4.47Å; L322-P335 HydrophobicContact CD2-CB 4.43Å; L322-V336 CarbonylContact C-O 3.56Å; L322-R337 HydrophobicContact CD2-CG 3.93Å
323	F	95.8	Very high	86.1	Confident	32 Å²	32	85.2 Å²	85.2	14%	0.14	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.6	-172.6	179.3	-114.5	0	0	0	111.7	D321 N325 V336 R338 Y350	D321-F323 PolarHBondContact O-N 3.3Å; F323-N325 HydrophobicContact CD1-CB 4.33Å; F323-N325 HydrophobicContact CE1-CB 3.52Å; F323-N325 HydrophobicContact CE2-CB 4.46Å; F323-N325 VanDerWaalsContact CZ-CA 3.41Å; F323-N325 HydrophobicContact CZ-CB 3.61Å; F323-V336 HydrophobicContact CB-CG2 3.95Å; F323-V336 HydrophobicContact CD1-CG2 3.82Å; F323-V336 HydrophobicContact CG-CG2 4.38Å; F323-V336 PolarHBondContact N-O 2.89Å; F323-V336 PolarHBondContact O-N 3.41Å; F323-R338 HydrophobicContact CB-CB 3.81Å; F323-Y350 HydrophobicContact CD1-CE1 4.11Å
324	T	92.8	Very high	88	Confident	31 Å²	31	83.3 Å²	83.3	19%	0.19	46%	0.459	C	S	.	.			trans	-122.6	4.9	-175.7	59.4	0	0	0	0	114.3	H327 S328 P335	T324-H327 PolarHBondContact O-N 3.26Å; T324-S328 PolarHBondContact O-N 3.43Å; T324-P335 HydrophobicContact CG2-CB 4.04Å; T324-P335 HydrophobicContact CG2-CG 4.1Å
325	N	89.4	Confident	89.4	Confident	30 Å²	30	78 Å²	78	16%	0.16	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	40.1	76.9	-179.3	-166.2	21.5	0	0	0	113.8	F323 H327 S328 L331 V411 V412 G414	F323-N325 HydrophobicContact CD1-CB 4.33Å; F323-N325 HydrophobicContact CE1-CB 3.52Å; F323-N325 HydrophobicContact CE2-CB 4.46Å; F323-N325 VanDerWaalsContact CZ-CA 3.41Å; F323-N325 HydrophobicContact CZ-CB 3.61Å; N325-H327 VanDerWaalsContact C-N 3.27Å; N325-H327 PolarHBondContact O-N 2.97Å; N325-S328 PolarHBondContact O-N 2.85Å; N325-L331 HydrophobicContact CB-CD1 3.79Å; N325-V411 PolarHBondContact ND2-O 3.33Å; N325-V412 PolarHBondContact ND2-O 3.37Å; N325-G414 WeakPolarHBondContact ND2-CA 3.29Å; N325-G414 PolarHBondContact ND2-N 3.1Å
326	N	86.2	Confident	90.2	Very high	153 Å²	153	75.8 Å²	75.8	82%	0.818	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	39.2	-178	-62.3	-28.8	0	0	0	114.1	S328	N326-S328 VanDerWaalsContact C-N 3.31Å; N326-S328 PolarHBondContact O-N 3.46Å
327	H	80.1	Confident	91.1	Very high	134 Å²	134	76.8 Å²	76.8	62%	0.62	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	38.5	-179.3	-54.5	-70.1	0	0	0	113.8	T324 N325 L332	T324-H327 PolarHBondContact O-N 3.26Å; N325-H327 VanDerWaalsContact C-N 3.27Å; N325-H327 PolarHBondContact O-N 2.97Å; H327-L332 HydrophobicContact CB-CD1 4.23Å; H327-L332 HydrophobicContact CB-CD2 3.99Å; H327-L332 HydrophobicContact CB-CG 4.29Å
328	S	87	Confident	91.7	Very high	26 Å²	26	76.8 Å²	76.8	18%	0.182	41%	0.406	C	S	.	.			trans	-48.2	126	168.6	174.3	0	0	0	0	109.9	T324 N325 N326 A330 L331 L332	T324-S328 PolarHBondContact O-N 3.43Å; N325-S328 PolarHBondContact O-N 2.85Å; N326-S328 VanDerWaalsContact C-N 3.31Å; N326-S328 PolarHBondContact O-N 3.46Å; S328-A330 PolarHBondContact O-N 3.39Å; S328-A330 VanDerWaalsContact O-N 3.07Å; S328-L331 PolarHBondContact O-N 3.05Å; S328-L332 PolarHBondContact O-N 3.35Å
329	P	89.3	Confident	91.9	Very high	104 Å²	104	77.3 Å²	77.3	68%	0.675	41%	0.408	S	S	*	.	H	α-helix	trans	-54.2	-34.8	-174	-29.7	35.2	0	0	0	113.9
330	A	88.6	Confident	92.1	Very high	55 Å²	55	72.9 Å²	72.9	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-67	-42.4	176.5	0	0	0	0	0	112.2	S328 L333 Q334 V411	S328-A330 PolarHBondContact O-N 3.39Å; S328-A330 VanDerWaalsContact O-N 3.07Å; A330-L333 PolarHBondContact O-N 2.96Å; A330-Q334 PolarHBondContact O-N 3.18Å; A330-Q334 VanDerWaalsContact O-N 3.17Å; A330-V411 HydrophobicContact CB-CG1 4.06Å
331	L	93.7	Very high	92	Very high	11 Å²	11	69.2 Å²	69.2	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-81	-16.2	-177.9	-58.9	-176.8	0	0	0	113.5	N325 S328 L333 Q334 P335 V336 V411 V412	N325-L331 HydrophobicContact CB-CD1 3.79Å; S328-L331 PolarHBondContact O-N 3.05Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-Q334 CarbonylContact O-C 3.56Å; L331-Q334 VanDerWaalsContact O-C 3.28Å; L331-P335 WeakPolarHBondContact O-CA 3.41Å; L331-P335 VanDerWaalsContact O-CD 3.26Å; L331-P335 WeakPolarHBondContact O-CD 3.46Å; L331-P335 VanDerWaalsContact O-CG 3.29Å; L331-P335 WeakPolarHBondContact O-CG 3.48Å; L331-V336 HydrophobicContact CD2-CG1 3.98Å; L331-V411 HydrophobicContact CD1-CG1 3.95Å; L331-V411 HydrophobicContact CD2-CG1 3.76Å; L331-V411 HydrophobicContact CG-CG1 3.53Å; L331-V412 HydrophobicContact CD1-CG2 4.45Å; L331-V412 HydrophobicContact CD2-CG2 4.35Å
332	L	91.4	Very high	91.8	Very high	94 Å²	94	67.5 Å²	67.5	49%	0.492	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-35.4	167.9	-72	177.6	0	0	0	111.8	H327 S328	H327-L332 HydrophobicContact CB-CD1 4.23Å; H327-L332 HydrophobicContact CB-CD2 3.99Å; H327-L332 HydrophobicContact CB-CG 4.29Å; S328-L332 PolarHBondContact O-N 3.35Å
333	L	90	Very high	91.6	Very high	160 Å²	160	66.1 Å²	66.1	84%	0.838	35%	0.347	S	S	*	.	H	α-helix	trans	-81.2	-35.4	177.5	-62.3	177.4	0	0	0	111.8	A330 L331	A330-L333 PolarHBondContact O-N 2.96Å; L331-L333 VanDerWaalsContact C-N 3.27Å
334	Q	91.4	Very high	91.4	Very high	154 Å²	154	70.8 Å²	70.8	72%	0.72	37%	0.37	S	S	*	.	S	Bend	trans	-138.8	82.2	179.7	-169	176.9	-1	0	0	110.9	A330 L331	A330-Q334 PolarHBondContact O-N 3.18Å; A330-Q334 VanDerWaalsContact O-N 3.17Å; L331-Q334 CarbonylContact O-C 3.56Å; L331-Q334 VanDerWaalsContact O-C 3.28Å
335	P	94.6	Very high	91.4	Very high	47 Å²	47	69.5 Å²	69.5	31%	0.305	36%	0.361	S	S	.	.			trans	-61	145.3	177.4	-22.1	31.6	0	0	0	111.6	L322 T324 L331	L322-P335 HydrophobicContact CB-CB 3.78Å; L322-P335 HydrophobicContact CB-CG 4.47Å; L322-P335 HydrophobicContact CD2-CB 4.43Å; T324-P335 HydrophobicContact CG2-CB 4.04Å; T324-P335 HydrophobicContact CG2-CG 4.1Å; L331-P335 WeakPolarHBondContact O-CA 3.41Å; L331-P335 VanDerWaalsContact O-CD 3.26Å; L331-P335 WeakPolarHBondContact O-CD 3.46Å; L331-P335 VanDerWaalsContact O-CG 3.29Å; L331-P335 WeakPolarHBondContact O-CG 3.48Å
336	V	96.1	Very high	91.7	Very high	23 Å²	23	71 Å²	71	14%	0.139	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.2	174.2	-65.8	0	0	0	0	110.6	L322 F323 L331 R338 Y350 V412	L322-V336 CarbonylContact C-O 3.56Å; F323-V336 HydrophobicContact CB-CG2 3.95Å; F323-V336 HydrophobicContact CD1-CG2 3.82Å; F323-V336 HydrophobicContact CG-CG2 4.38Å; F323-V336 PolarHBondContact N-O 2.89Å; F323-V336 PolarHBondContact O-N 3.41Å; L331-V336 HydrophobicContact CD2-CG1 3.98Å; V336-R338 PolarHBondContact O-N 3.03Å; V336-Y350 HydrophobicContact CB-CD1 4.31Å; V336-Y350 HydrophobicContact CG2-CD1 3.82Å; V336-Y350 HydrophobicContact CG2-CE1 3.94Å; V336-V412 HydrophobicContact CG1-CG2 3.68Å; V336-V412 HydrophobicContact CG2-CG1 4.3Å; V336-V412 HydrophobicContact CG2-CG2 4.2Å
337	R	97.3	Very high	92.1	Very high	149 Å²	149	63.7 Å²	63.7	56%	0.562	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	106.3	175.7	-65.4	180	-173.2	-179.9	3.2	108.2	L322 Y350 H351	L322-R337 HydrophobicContact CD2-CG 3.93Å; R337-Y350 CarbonylContact O-C 3.28Å; R337-Y350 WeakPolarHBondContact O-CA 3.38Å; R337-H351 HydrophobicContact CB-CB 4Å; R337-H351 PolarHBondContact O-N 3.4Å
338	R	96.5	Very high	92.9	Very high	28 Å²	28	57.8 Å²	57.8	11%	0.106	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.7	-178.7	179.6	-177.1	65.1	162.5	-4.5	110	C320 D321 F323 V336 E348 L349 Y350	C320-R338 CarbonylContact C-O 3.58Å; C320-R338 WeakPolarHBondContact CA-O 3.46Å; D321-R338 PolarHBondContact N-O 3.36Å; D321-R338 PolarHBondContact O-N 3.49Å; D321-R338 WeakPolarHBondContact OD1-CB 3.28Å; D321-R338 IonicContact OD1-CZ 3.5Å; D321-R338 IonicContact OD1-NE 2.87Å; D321-R338 PolarHBondContact OD1-NE 2.91Å; D321-R338 IonicContact OD1-NH2 3.51Å; D321-R338 PolarHBondContact OD1-NH2 2.85Å; D321-R338 IonicContact OD2-CZ 3.72Å; D321-R338 IonicContact OD2-NE 3.82Å; D321-R338 IonicContact OD2-NH2 3.52Å; D321-R338 PolarHBondContact OD2-NH2 3.37Å; F323-R338 HydrophobicContact CB-CB 3.81Å; V336-R338 PolarHBondContact O-N 3.03Å; R338-E348 WeakPolarHBondContact CD-OE1 3.46Å; R338-E348 HydrophobicContact CG-CB 4.32Å; R338-E348 IonicContact CZ-OE1 3.74Å; R338-E348 IonicContact NE-OE1 3.95Å; R338-E348 IonicContact NH1-OE1 2.78Å; R338-E348 PolarHBondContact NH1-OE1 2.72Å; R338-L349 CarbonylContact C-O 3.53Å; R338-L349 WeakPolarHBondContact CA-O 3.4Å; R338-Y350 HydrophobicContact CB-CD1 4.03Å; R338-Y350 HydrophobicContact CB-CE1 3.95Å; R338-Y350 HydrophobicContact CG-CD1 4.21Å; R338-Y350 HydrophobicContact CG-CE1 3.84Å
339	E	94.8	Very high	93.3	Very high	39 Å²	39	56.6 Å²	56.6	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.8	170.4	173.2	175.1	-163.3	0	0	108.1	H312 L341 E348 L349 H351	H312-E339 IonicContact CE1-OE1 3.2Å; H312-E339 PolarHBondContact CE1-OE1 3.21Å; H312-E339 VanDerWaalsContact CE1-OE1 3.22Å; H312-E339 IonicContact ND1-OE1 2.78Å; H312-E339 IonicContact NE2-OE1 2.76Å; E339-L341 HydrophobicContact CG-CD2 3.84Å; E339-E348 CarbonylContact O-C 3.51Å; E339-E348 WeakPolarHBondContact O-CA 3.4Å; E339-L349 HydrophobicContact CB-CB 4.36Å; E339-L349 PolarHBondContact N-O 2.83Å; E339-L349 PolarHBondContact O-N 3.46Å; E339-H351 IonicContact OE2-CD2 3.46Å; E339-H351 IonicContact OE2-CE1 2.88Å; E339-H351 PolarHBondContact OE2-CE1 3.4Å; E339-H351 IonicContact OE2-NE2 2.75Å; E339-H351 PolarHBondContact OE2-NE2 2.86Å
340	V	93.7	Very high	93.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.8	176.1	-177.1	0	0	0	0	108.3	L318 F319 L343	L318-V340 HydrophobicContact CD2-CG1 4.07Å; F319-V340 HydrophobicContact CD1-CG2 4.42Å; F319-V340 HydrophobicContact CE1-CG2 4.02Å; F319-V340 HydrophobicContact CE2-CG2 4.18Å; F319-V340 HydrophobicContact CZ-CG2 3.89Å; F319-V340 PolarHBondContact O-N 2.86Å; V340-L343 HydrophobicContact CG1-CD2 3.9Å
341	L	91.6	Very high	94.1	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-32.5	-177.5	-59	-175.8	0	0	0	112.5	H312 E339 V347 L349 F482 A484 I492	H312-L341 WeakPolarHBondContact NE2-CD2 3.36Å; E339-L341 HydrophobicContact CG-CD2 3.84Å; L341-V347 HydrophobicContact CB-CB 4.48Å; L341-V347 HydrophobicContact CB-CG1 4.35Å; L341-V347 HydrophobicContact CD1-CG1 4.34Å; L341-V347 PolarHBondContact N-O 3.46Å; L341-L349 HydrophobicContact CD1-CB 3.99Å; L341-L349 HydrophobicContact CD2-CB 4.25Å; L341-L349 HydrophobicContact CG-CB 4.05Å; L341-F482 HydrophobicContact CB-CE2 4.42Å; L341-A484 HydrophobicContact CD1-CB 3.74Å; L341-I492 HydrophobicContact CD1-CD1 4.26Å
342	S	92.4	Very high	94.3	Very high	16 Å²	16	55.8 Å²	55.8	11%	0.112	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.6	176	-175.2	0	0	0	0	110.7	Q344 P345 H346 V347	S342-Q344 PolarHBondContact OG-N 2.94Å; S342-Q344 PolarHBondContact OG-O 3.48Å; S342-Q344 VanDerWaalsContact OG-O 3.05Å; S342-P345 CarbonylContact C-O 3.47Å; S342-P345 VanDerWaalsContact CB-O 3.22Å; S342-P345 WeakPolarHBondContact CB-O 3.33Å; S342-P345 PolarHBondContact OG-O 3.37Å; S342-P345 VanDerWaalsContact OG-O 3.11Å; S342-H346 WeakPolarHBondContact O-CA 3.44Å; S342-V347 PolarHBondContact N-O 3.35Å; S342-V347 PolarHBondContact O-N 2.99Å
343	L	91.6	Very high	94.5	Very high	87 Å²	87	51.8 Å²	51.8	46%	0.455	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-26.7	172.4	-59.4	177	0	0	0	111.8	L318 V340 P345 H346	L318-L343 HydrophobicContact CD2-CD2 4.35Å; L318-L343 HydrophobicContact CD2-CG 3.99Å; V340-L343 HydrophobicContact CG1-CD2 3.9Å; L343-P345 CarbonylContact C-O 3.55Å; L343-H346 PolarHBondContact O-N 3.42Å
344	Q	90.6	Very high	94.9	Very high	131 Å²	131	44.3 Å²	44.3	61%	0.612	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-144.3	109.1	179.5	-172.3	171.3	-1.2	0	0	110.1	S342	S342-Q344 PolarHBondContact OG-N 2.94Å; S342-Q344 PolarHBondContact OG-O 3.48Å; S342-Q344 VanDerWaalsContact OG-O 3.05Å
345	P	93.8	Very high	95.1	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.019	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	cis	-64.3	157.4	-9.9	32.8	-31.2	0	0	0	108.9	S342 L343 V347 F477 A480 D506 T507	S342-P345 CarbonylContact C-O 3.47Å; S342-P345 VanDerWaalsContact CB-O 3.22Å; S342-P345 WeakPolarHBondContact CB-O 3.33Å; S342-P345 PolarHBondContact OG-O 3.37Å; S342-P345 VanDerWaalsContact OG-O 3.11Å; L343-P345 CarbonylContact C-O 3.55Å; P345-V347 HydrophobicContact CG-CG2 3.98Å; P345-V347 WeakPolarHBondContact O-CG2 3.42Å; P345-V347 PolarHBondContact O-N 2.96Å; P345-V347 VanDerWaalsContact O-N 3.13Å; P345-F477 HydrophobicContact CG-CD1 4.37Å; P345-A480 HydrophobicContact CG-CB 4.34Å; P345-D506 HydrophobicContact CB-CB 4.33Å; P345-D506 HydrophobicContact CG-CB 4.17Å; P345-T507 HydrophobicContact CB-CG2 3.87Å; P345-T507 HydrophobicContact CG-CG2 4.21Å
346	H	94.1	Very high	95.2	Very high	61 Å²	61	41.9 Å²	41.9	28%	0.282	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	114.1	177.9	-171	80	0	0	0	109.8	S342 L343 E348 W494	S342-H346 WeakPolarHBondContact O-CA 3.44Å; L343-H346 PolarHBondContact O-N 3.42Å; H346-E348 IonicContact CD2-OE1 2.71Å; H346-E348 IonicContact CE1-OE1 3.83Å; H346-E348 VanDerWaalsContact NE2-CG 3.31Å; H346-E348 WeakPolarHBondContact NE2-CG 3.42Å; H346-E348 IonicContact NE2-OE1 3.22Å; H346-E348 PolarHBondContact NE2-OE1 3.49Å; H346-W494 WeakPolarHBondContact O-CA 3.45Å
347	V	95.9	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.7	-178	-175.5	0	0	0	0	110.1	L341 S342 P345 F477 F482 I492 F493 W494	L341-V347 HydrophobicContact CB-CB 4.48Å; L341-V347 HydrophobicContact CB-CG1 4.35Å; L341-V347 HydrophobicContact CD1-CG1 4.34Å; L341-V347 PolarHBondContact N-O 3.46Å; S342-V347 PolarHBondContact N-O 3.35Å; S342-V347 PolarHBondContact O-N 2.99Å; P345-V347 HydrophobicContact CG-CG2 3.98Å; P345-V347 WeakPolarHBondContact O-CG2 3.42Å; P345-V347 PolarHBondContact O-N 2.96Å; P345-V347 VanDerWaalsContact O-N 3.13Å; V347-F477 HydrophobicContact CG1-CE2 4.24Å; V347-F477 HydrophobicContact CG1-CZ 4.15Å; V347-F477 HydrophobicContact CG2-CE1 4.14Å; V347-F477 HydrophobicContact CG2-CE2 4.45Å; V347-F477 HydrophobicContact CG2-CZ 4.03Å; V347-F482 HydrophobicContact CB-CZ 4.08Å; V347-F482 HydrophobicContact CG1-CZ 4.36Å; V347-F482 HydrophobicContact CG2-CZ 3.76Å; V347-I492 HydrophobicContact CG1-CD1 3.72Å; V347-I492 HydrophobicContact CG1-CG1 3.75Å; V347-F493 WeakPolarHBondContact CA-O 3.12Å; V347-W494 HydrophobicContact CG2-CB 3.83Å
348	E	96.1	Very high	95.2	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.6	-176.8	-61.3	177	149.5	0	0	111	R338 E339 H346 Y350 I492 F493	R338-E348 WeakPolarHBondContact CD-OE1 3.46Å; R338-E348 HydrophobicContact CG-CB 4.32Å; R338-E348 IonicContact CZ-OE1 3.74Å; R338-E348 IonicContact NE-OE1 3.95Å; R338-E348 IonicContact NH1-OE1 2.78Å; R338-E348 PolarHBondContact NH1-OE1 2.72Å; E339-E348 CarbonylContact O-C 3.51Å; E339-E348 WeakPolarHBondContact O-CA 3.4Å; H346-E348 IonicContact CD2-OE1 2.71Å; H346-E348 IonicContact CE1-OE1 3.83Å; H346-E348 VanDerWaalsContact NE2-CG 3.31Å; H346-E348 WeakPolarHBondContact NE2-CG 3.42Å; H346-E348 IonicContact NE2-OE1 3.22Å; H346-E348 PolarHBondContact NE2-OE1 3.49Å; E348-Y350 HydrophobicContact CB-CE2 4.24Å; E348-Y350 PolarHBondContact OE2-OH 3.16Å; E348-I492 CarbonylContact O-C 3.47Å; E348-I492 VanDerWaalsContact O-CA 3.28Å; E348-I492 WeakPolarHBondContact O-CA 3.48Å; E348-F493 PolarHBondContact N-O 3.45Å; E348-F493 PolarHBondContact O-N 3.31Å
349	L	96.6	Very high	95.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.8	171.7	-172.4	70.2	0	0	0	109.7	R338 E339 L341 H351 Y465 V487 A490 A491 I492	R338-L349 CarbonylContact C-O 3.53Å; R338-L349 WeakPolarHBondContact CA-O 3.4Å; E339-L349 HydrophobicContact CB-CB 4.36Å; E339-L349 PolarHBondContact N-O 2.83Å; E339-L349 PolarHBondContact O-N 3.46Å; L341-L349 HydrophobicContact CD1-CB 3.99Å; L341-L349 HydrophobicContact CD2-CB 4.25Å; L341-L349 HydrophobicContact CG-CB 4.05Å; L349-H351 VanDerWaalsContact CD2-CE1 3.5Å; L349-H351 WeakPolarHBondContact CD2-CE1 3.22Å; L349-Y465 HydrophobicContact CD1-CE2 4.21Å; L349-V487 HydrophobicContact CD2-CB 4.33Å; L349-V487 HydrophobicContact CD2-CG2 3.91Å; L349-A490 HydrophobicContact CD1-CB 3.79Å; L349-A490 HydrophobicContact CG-CB 4.18Å; L349-A491 CarbonylContact C-O 3.6Å; L349-A491 WeakPolarHBondContact CA-O 3.26Å; L349-I492 HydrophobicContact CD1-CB 4.17Å
350	Y	97.7	Very high	95.3	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.2	175.7	-63.2	-74.2	0	0	0	109.6	F323 V336 R337 R338 E348 V412 F462 A490 A491 F493	F323-Y350 HydrophobicContact CD1-CE1 4.11Å; V336-Y350 HydrophobicContact CB-CD1 4.31Å; V336-Y350 HydrophobicContact CG2-CD1 3.82Å; V336-Y350 HydrophobicContact CG2-CE1 3.94Å; R337-Y350 CarbonylContact O-C 3.28Å; R337-Y350 WeakPolarHBondContact O-CA 3.38Å; R338-Y350 HydrophobicContact CB-CD1 4.03Å; R338-Y350 HydrophobicContact CB-CE1 3.95Å; R338-Y350 HydrophobicContact CG-CD1 4.21Å; R338-Y350 HydrophobicContact CG-CE1 3.84Å; E348-Y350 HydrophobicContact CB-CE2 4.24Å; E348-Y350 PolarHBondContact OE2-OH 3.16Å; Y350-V412 HydrophobicContact CD1-CG1 3.89Å; Y350-V412 HydrophobicContact CD2-CG1 4.25Å; Y350-V412 HydrophobicContact CE1-CG1 3.44Å; Y350-V412 VanDerWaalsContact CE1-CG1 3.44Å; Y350-V412 HydrophobicContact CE2-CG1 3.86Å; Y350-V412 HydrophobicContact CG-CG1 4.26Å; Y350-V412 VanDerWaalsContact CZ-CG1 3.42Å; Y350-F462 AromaticContact CD2-CE2 3.87Å; Y350-F462 HydrophobicContact CD2-CE2 3.87Å; Y350-F462 HydrophobicContact CD2-CZ 4.13Å; Y350-F462 AromaticContact CE2-CE2 3.94Å; Y350-F462 HydrophobicContact CE2-CE2 3.94Å; Y350-A490 CarbonylContact O-C 3.53Å; Y350-A490 WeakPolarHBondContact O-CA 3.17Å; Y350-A490 WeakPolarHBondContact O-CB 3.14Å; Y350-A491 PolarHBondContact N-O 3.28Å; Y350-A491 PolarHBondContact O-N 3.26Å; Y350-F493 HydrophobicContact CD2-CB 4.38Å; Y350-F493 HydrophobicContact CE2-CB 3.78Å; Y350-F493 HydrophobicContact CE2-CG 4.44Å
351	H	97.2	Very high	95.4	Very high	53 Å²	53	40 Å²	40	25%	0.245	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.6	-177.4	-70.7	-86.8	0	0	0	112.2	R337 E339 L349 F353	R337-H351 HydrophobicContact CB-CB 4Å; R337-H351 PolarHBondContact O-N 3.4Å; E339-H351 IonicContact OE2-CD2 3.46Å; E339-H351 IonicContact OE2-CE1 2.88Å; E339-H351 PolarHBondContact OE2-CE1 3.4Å; E339-H351 IonicContact OE2-NE2 2.75Å; E339-H351 PolarHBondContact OE2-NE2 2.86Å; L349-H351 VanDerWaalsContact CD2-CE1 3.5Å; L349-H351 WeakPolarHBondContact CD2-CE1 3.22Å; H351-F353 PolarHBondContact O-N 3.48Å
352	N	96.1	Very high	95.6	Very high	95 Å²	95	39.3 Å²	39.3	51%	0.508	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	41	-179.4	-57.1	-57.9	0	0	0	112.6	I354 K489	N352-I354 VanDerWaalsContact C-N 3.32Å; N352-K489 CarbonylContact C-O 3.45Å
353	F	97.3	Very high	95.8	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.044	22%	0.217	C	C	.	.			trans	-68.3	-33	-178.4	-177.5	-105.5	0	0	0	112.3	H351 L405 R408 I409 V412 F462 I464 K489 A491	H351-F353 PolarHBondContact O-N 3.48Å; F353-L405 HydrophobicContact CD1-CD1 4.29Å; F353-L405 HydrophobicContact CE1-CD1 3.55Å; F353-L405 HydrophobicContact CZ-CD1 4.32Å; F353-R408 HydrophobicContact CE2-CB 4.5Å; F353-R408 HydrophobicContact CE2-CG 3.64Å; F353-R408 HydrophobicContact CZ-CB 4.12Å; F353-R408 HydrophobicContact CZ-CG 3.72Å; F353-R408 WeakPolarHBondContact O-CD 3.36Å; F353-R408 PolarHBondContact O-NH1 2.84Å; F353-I409 HydrophobicContact CE1-CG1 3.96Å; F353-I409 HydrophobicContact CZ-CG1 3.68Å; F353-V412 HydrophobicContact CE2-CG2 4.03Å; F353-F462 AromaticContact CD1-CE1 3.88Å; F353-F462 HydrophobicContact CD1-CE1 3.88Å; F353-F462 HydrophobicContact CD1-CZ 4.12Å; F353-F462 HydrophobicContact CD2-CZ 4.11Å; F353-F462 AromaticContact CE1-CE1 3.42Å; F353-F462 HydrophobicContact CE1-CE1 3.42Å; F353-F462 VanDerWaalsContact CE1-CE1 3.42Å; F353-F462 AromaticContact CE1-CZ 3.73Å; F353-F462 HydrophobicContact CE1-CZ 3.73Å; F353-F462 HydrophobicContact CE2-CE1 4.27Å; F353-F462 AromaticContact CE2-CZ 3.7Å; F353-F462 HydrophobicContact CE2-CZ 3.7Å; F353-F462 HydrophobicContact CG-CE1 4.5Å; F353-F462 HydrophobicContact CG-CZ 4.32Å; F353-F462 AromaticContact CZ-CE1 3.65Å; F353-F462 HydrophobicContact CZ-CE1 3.65Å; F353-F462 AromaticContact CZ-CZ 3.51Å; F353-F462 HydrophobicContact CZ-CZ 3.51Å; F353-I464 HydrophobicContact CD1-CD1 4.24Å; F353-I464 HydrophobicContact CD1-CG1 4.14Å; F353-I464 HydrophobicContact CE1-CD1 3.98Å; F353-I464 HydrophobicContact CE1-CG1 4.25Å; F353-K489 PolarHBondContact N-O 2.9Å; F353-A491 HydrophobicContact CB-CB 3.99Å; F353-A491 HydrophobicContact CD1-CB 3.77Å; F353-A491 HydrophobicContact CE1-CB 4.48Å; F353-A491 HydrophobicContact CG-CB 3.88Å
354	I	97.1	Very high	95.9	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	22%	0.221	C	C	.	.	S	Bend	trans	-121.2	160.8	173.1	61.2	168.7	0	0	0	111.9	N352 E358 A359 L405 I464 L466 K489	N352-I354 VanDerWaalsContact C-N 3.32Å; I354-E358 WeakPolarHBondContact CA-OE2 3.32Å; I354-E358 HydrophobicContact CB-CB 4.36Å; I354-A359 HydrophobicContact CD1-CB 3.67Å; I354-L405 HydrophobicContact CG2-CD1 3.67Å; I354-I464 HydrophobicContact CD1-CG2 3.65Å; I354-I464 HydrophobicContact CG1-CG2 3.98Å; I354-I464 HydrophobicContact CG2-CG2 4.04Å; I354-L466 HydrophobicContact CD1-CD2 3.53Å; I354-K489 HydrophobicContact CG1-CB 4.13Å; I354-K489 HydrophobicContact CG1-CG 4.22Å; I354-K489 PolarHBondContact N-O 3.24Å; I354-K489 WeakPolarHBondContact O-CB 3.36Å; I354-K489 WeakPolarHBondContact O-CD 3.36Å; I354-K489 WeakPolarHBondContact O-CG 3.33Å
355	T	96.9	Very high	96.1	Very high	72 Å²	72	39.7 Å²	39.7	44%	0.442	21%	0.207	S	C	.	.			trans	-90	162	170.3	64.4	0	0	0	0	111.6	A357 E358 A359	T355-A357 VanDerWaalsContact C-N 3.27Å; T355-A357 PolarHBondContact O-N 3.21Å; T355-E358 PolarHBondContact N-OE2 3.31Å; T355-E358 PolarHBondContact O-N 2.9Å; T355-E358 VanDerWaalsContact OG1-CG 3.25Å; T355-E358 WeakPolarHBondContact OG1-CG 3.09Å; T355-E358 PolarHBondContact OG1-N 3.07Å; T355-E358 PolarHBondContact OG1-OE2 3.34Å; T355-A359 PolarHBondContact O-N 3.41Å
356	D	96.2	Very high	96.1	Very high	79 Å²	79	39.5 Å²	39.5	42%	0.422	21%	0.207	S	C	.	.	H	α-helix	trans	-58.4	-41.2	175.1	-59.7	-55	0	0	0	111.4	E358 A359 D360 K489	D356-E358 PolarHBondContact O-N 2.97Å; D356-A359 WeakPolarHBondContact O-CB 3.15Å; D356-A359 PolarHBondContact O-N 2.94Å; D356-D360 WeakPolarHBondContact O-CB 3.18Å; D356-D360 PolarHBondContact O-N 3.25Å; D356-K489 VanDerWaalsContact CG-NZ 3.28Å; D356-K489 VanDerWaalsContact OD1-CD 3.26Å; D356-K489 WeakPolarHBondContact OD1-CD 3.44Å; D356-K489 WeakPolarHBondContact OD1-CE 3.42Å; D356-K489 IonicContact OD1-NZ 3.77Å; D356-K489 PolarHBondContact OD1-NZ 3.31Å; D356-K489 IonicContact OD2-NZ 2.75Å; D356-K489 PolarHBondContact OD2-NZ 3.35Å
357	A	96.9	Very high	96	Very high	73 Å²	73	40.1 Å²	40.1	60%	0.603	21%	0.209	S	C	*	.	H	α-helix	trans	-63.6	-38.4	177.4	0	0	0	0	0	112.9	T355 D361	T355-A357 VanDerWaalsContact C-N 3.27Å; T355-A357 PolarHBondContact O-N 3.21Å; A357-D361 WeakPolarHBondContact O-CB 3.45Å; A357-D361 PolarHBondContact O-N 3.12Å
358	E	97.1	Very high	95.7	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-42.7	174.2	-71.8	170.9	150.6	0	0	111	I354 T355 D356 D360 D361 I362 T401 R408	I354-E358 WeakPolarHBondContact CA-OE2 3.32Å; I354-E358 HydrophobicContact CB-CB 4.36Å; T355-E358 PolarHBondContact N-OE2 3.31Å; T355-E358 PolarHBondContact O-N 2.9Å; T355-E358 VanDerWaalsContact OG1-CG 3.25Å; T355-E358 WeakPolarHBondContact OG1-CG 3.09Å; T355-E358 PolarHBondContact OG1-N 3.07Å; T355-E358 PolarHBondContact OG1-OE2 3.34Å; D356-E358 PolarHBondContact O-N 2.97Å; E358-D360 PolarHBondContact O-N 3.41Å; E358-D361 PolarHBondContact O-N 3.21Å; E358-I362 WeakPolarHBondContact O-CB 3.41Å; E358-I362 WeakPolarHBondContact O-CD1 3.44Å; E358-I362 WeakPolarHBondContact O-CG1 3.3Å; E358-I362 PolarHBondContact O-N 2.91Å; E358-T401 HydrophobicContact CB-CG2 4.11Å; E358-T401 HydrophobicContact CG-CG2 4.05Å; E358-R408 IonicContact OE1-CZ 2.82Å; E358-R408 IonicContact OE1-NH1 3.59Å; E358-R408 PolarHBondContact OE1-NH1 3.22Å; E358-R408 IonicContact OE1-NH2 3.72Å; E358-R408 PolarHBondContact OE1-NH2 2.88Å; E358-R408 IonicContact OE2-CZ 3.25Å; E358-R408 IonicContact OE2-NH1 3.56Å; E358-R408 PolarHBondContact OE2-NH1 3.44Å; E358-R408 IonicContact OE2-NH2 3Å
359	A	96.9	Very high	95.3	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-47.7	176.6	0	0	0	0	0	111.5	I354 T355 D356 I362 K363	I354-A359 HydrophobicContact CD1-CB 3.67Å; T355-A359 PolarHBondContact O-N 3.41Å; D356-A359 WeakPolarHBondContact O-CB 3.15Å; D356-A359 PolarHBondContact O-N 2.94Å; A359-I362 PolarHBondContact O-N 3.09Å; A359-K363 WeakPolarHBondContact O-CE 3.46Å; A359-K363 WeakPolarHBondContact O-CG 3.42Å; A359-K363 PolarHBondContact O-N 2.95Å
360	D	95.8	Very high	94.8	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-67.6	-38	-179.8	-71.6	-17.9	0	0	0	112.8	D356 E358 K363 R364	D356-D360 WeakPolarHBondContact O-CB 3.18Å; D356-D360 PolarHBondContact O-N 3.25Å; E358-D360 PolarHBondContact O-N 3.41Å; D360-K363 PolarHBondContact O-N 3.3Å; D360-K363 WeakPolarHBondContact OD1-CE 3.32Å; D360-K363 IonicContact OD1-NZ 3.43Å; D360-K363 PolarHBondContact OD1-NZ 2.99Å; D360-R364 VanDerWaalsContact O-CB 3.28Å; D360-R364 WeakPolarHBondContact O-CB 3.37Å; D360-R364 PolarHBondContact O-N 3.41Å
361	D	95.9	Very high	94.3	Very high	27 Å²	27	53.3 Å²	53.3	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-45.3	173.7	-171.8	29.4	0	0	0	111.3	A357 E358 R364 L365 T401	A357-D361 WeakPolarHBondContact O-CB 3.45Å; A357-D361 PolarHBondContact O-N 3.12Å; E358-D361 PolarHBondContact O-N 3.21Å; D361-R364 PolarHBondContact O-N 3.47Å; D361-R364 IonicContact OD1-CZ 3.59Å; D361-R364 IonicContact OD1-NE 3.83Å; D361-R364 IonicContact OD1-NH2 2.76Å; D361-R364 PolarHBondContact OD1-NH2 2.91Å; D361-L365 WeakPolarHBondContact O-CB 3.41Å; D361-L365 WeakPolarHBondContact O-CG 3.49Å; D361-L365 PolarHBondContact O-N 3.22Å; D361-T401 HydrophobicContact CB-CG2 4.39Å; D361-T401 WeakPolarHBondContact OD2-CB 3.28Å; D361-T401 PolarHBondContact OD2-OG1 3.37Å
362	I	96.6	Very high	93.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-46.5	176.9	-67.4	163.7	0	0	0	111.1	E358 A359 R364 L365 A366 L394 T401 L405 L425 V427 L466	E358-I362 WeakPolarHBondContact O-CB 3.41Å; E358-I362 WeakPolarHBondContact O-CD1 3.44Å; E358-I362 WeakPolarHBondContact O-CG1 3.3Å; E358-I362 PolarHBondContact O-N 2.91Å; A359-I362 PolarHBondContact O-N 3.09Å; I362-R364 PolarHBondContact O-N 3.48Å; I362-L365 PolarHBondContact O-N 3.37Å; I362-A366 WeakPolarHBondContact O-CB 3.46Å; I362-A366 PolarHBondContact O-N 3.39Å; I362-L394 HydrophobicContact CG2-CD1 4.12Å; I362-T401 HydrophobicContact CD1-CG2 4.45Å; I362-T401 HydrophobicContact CG1-CG2 4.15Å; I362-L405 HydrophobicContact CD1-CD2 3.79Å; I362-L425 HydrophobicContact CG2-CD2 4.23Å; I362-V427 HydrophobicContact CG2-CG1 4.41Å; I362-V427 HydrophobicContact CG2-CG2 3.58Å; I362-L466 HydrophobicContact CB-CD1 4.42Å; I362-L466 HydrophobicContact CD1-CD2 4.27Å; I362-L466 HydrophobicContact CG2-CD1 3.68Å; I362-L466 HydrophobicContact CG2-CD2 4.33Å
363	K	95.3	Very high	92.3	Very high	36 Å²	36	48 Å²	48	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-46.6	176.5	-73	177.2	-61.9	-166.3	0	111.1	A359 D360 A366 Q367 L466 W520	A359-K363 WeakPolarHBondContact O-CE 3.46Å; A359-K363 WeakPolarHBondContact O-CG 3.42Å; A359-K363 PolarHBondContact O-N 2.95Å; D360-K363 PolarHBondContact O-N 3.3Å; D360-K363 WeakPolarHBondContact OD1-CE 3.32Å; D360-K363 IonicContact OD1-NZ 3.43Å; D360-K363 PolarHBondContact OD1-NZ 2.99Å; K363-A366 PolarHBondContact O-N 2.91Å; K363-Q367 WeakPolarHBondContact O-CG 3.31Å; K363-Q367 PolarHBondContact O-N 2.96Å; K363-L466 HydrophobicContact CD-CB 4.29Å; K363-L466 HydrophobicContact CG-CB 4.25Å; K363-L466 HydrophobicContact CG-CD1 4.13Å; K363-L466 PolarHBondContact NZ-O 3.46Å; K363-W520 HydrophobicContact CB-CE3 4.5Å; K363-W520 HydrophobicContact CB-CZ3 4.46Å; K363-W520 HydrophobicContact CD-CB 4.25Å; K363-W520 HydrophobicContact CD-CD2 4.05Å; K363-W520 HydrophobicContact CD-CG 3.91Å; K363-W520 HydrophobicContact CG-CB 4.42Å; K363-W520 HydrophobicContact CG-CD2 3.87Å; K363-W520 HydrophobicContact CG-CE3 3.89Å; K363-W520 HydrophobicContact CG-CG 4.14Å; K363-W520 HydrophobicContact CG-CZ3 4.34Å
364	R	94.9	Very high	90.9	Very high	142 Å²	142	50.4 Å²	50.4	54%	0.536	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-44.4	178.1	-179.7	-179.6	60.3	-115.6	7	112.5	D360 D361 I362 A366 Q367 P368	D360-R364 VanDerWaalsContact O-CB 3.28Å; D360-R364 WeakPolarHBondContact O-CB 3.37Å; D360-R364 PolarHBondContact O-N 3.41Å; D361-R364 PolarHBondContact O-N 3.47Å; D361-R364 IonicContact OD1-CZ 3.59Å; D361-R364 IonicContact OD1-NE 3.83Å; D361-R364 IonicContact OD1-NH2 2.76Å; D361-R364 PolarHBondContact OD1-NH2 2.91Å; I362-R364 PolarHBondContact O-N 3.48Å; R364-A366 VanDerWaalsContact C-N 3.27Å; R364-A366 PolarHBondContact O-N 2.89Å; R364-Q367 PolarHBondContact O-N 2.96Å; R364-P368 WeakPolarHBondContact O-CD 3.49Å
365	L	94.6	Very high	88.9	Confident	63 Å²	63	52.3 Å²	52.3	33%	0.33	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-34	177.6	-71.3	167.6	0	0	0	111.9	D361 I362 L394 S399	D361-L365 WeakPolarHBondContact O-CB 3.41Å; D361-L365 WeakPolarHBondContact O-CG 3.49Å; D361-L365 PolarHBondContact O-N 3.22Å; I362-L365 PolarHBondContact O-N 3.37Å; L365-L394 HydrophobicContact CB-CD1 3.86Å; L365-L394 HydrophobicContact CB-CD2 4.06Å; L365-S399 VanDerWaalsContact CD1-OG 3.28Å; L365-S399 WeakPolarHBondContact CD1-OG 3.11Å
366	A	94.2	Very high	86.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-76.1	-34	180	0	0	0	0	0	113.8	I362 K363 R364 G369 L370 A392 L394 V427 W520	I362-A366 WeakPolarHBondContact O-CB 3.46Å; I362-A366 PolarHBondContact O-N 3.39Å; K363-A366 PolarHBondContact O-N 2.91Å; R364-A366 VanDerWaalsContact C-N 3.27Å; R364-A366 PolarHBondContact O-N 2.89Å; A366-G369 WeakPolarHBondContact O-CA 3.39Å; A366-G369 PolarHBondContact O-N 3.36Å; A366-L370 PolarHBondContact O-N 2.94Å; A366-A392 HydrophobicContact CB-CB 4Å; A366-A392 VanDerWaalsContact O-CB 3.31Å; A366-A392 WeakPolarHBondContact O-CB 3.47Å; A366-L394 HydrophobicContact CB-CD1 4.42Å; A366-V427 HydrophobicContact CB-CB 3.59Å; A366-V427 HydrophobicContact CB-CG1 3.52Å; A366-V427 HydrophobicContact CB-CG2 3.97Å; A366-W520 HydrophobicContact CB-CZ3 4.44Å
367	Q	91.1	Very high	83.4	Confident	73 Å²	73	51 Å²	51	34%	0.341	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-46.6	-49.4	-173.3	-86.7	171.8	-4.6	0	0	114.6	Q31 K363 R364 G369 L370 W520	Q31-Q367 HydrophobicContact CG-CG 4.2Å; K363-Q367 WeakPolarHBondContact O-CG 3.31Å; K363-Q367 PolarHBondContact O-N 2.96Å; R364-Q367 PolarHBondContact O-N 2.96Å; Q367-G369 PolarHBondContact O-N 3.41Å; Q367-L370 PolarHBondContact O-N 3.06Å; Q367-W520 HydrophobicContact CG-CH2 4.16Å
368	P	89.9	Confident	80.7	Confident	107 Å²	107	50.6 Å²	50.6	70%	0.695	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-66.9	-22.8	-179.1	-19.7	32.8	0	0	0	113.9	R364	R364-P368 WeakPolarHBondContact O-CD 3.49Å
369	G	87.5	Confident	77.5	Confident	35 Å²	35	59.8 Å²	59.8	36%	0.361	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-97.2	-1.9	-177.1	0	0	0	0	0	114.4	A366 Q367 K371 A392	A366-G369 WeakPolarHBondContact O-CA 3.39Å; A366-G369 PolarHBondContact O-N 3.36Å; Q367-G369 PolarHBondContact O-N 3.41Å; G369-K371 PolarHBondContact O-N 3.38Å; G369-A392 VanDerWaalsContact C-CB 3.5Å
370	L	86.6	Confident	74.5	Confident	20 Å²	20	67 Å²	67	11%	0.105	37%	0.371	C	S	.	.			trans	-65.1	117.6	-177.5	-77.5	179.3	0	0	0	110.9	A366 Q367 K390 A392 N429 W520	A366-L370 PolarHBondContact O-N 2.94Å; Q367-L370 PolarHBondContact O-N 3.06Å; L370-K390 HydrophobicContact CB-CB 4.14Å; L370-K390 HydrophobicContact CD2-CB 4.16Å; L370-A392 HydrophobicContact CD2-CB 4.18Å; L370-N429 HydrophobicContact CD1-CB 4.46Å; L370-W520 HydrophobicContact CD1-CH2 3.65Å; L370-W520 HydrophobicContact CD1-CZ3 4.08Å; L370-W520 HydrophobicContact CD2-CZ3 4.37Å
371	K	85.8	Confident	71.7	Confident	132 Å²	132	70.3 Å²	70.3	57%	0.574	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.5	174	-65	-177.8	-178.6	-176.3	0	110	G369 S373 K390 S391	G369-K371 PolarHBondContact O-N 3.38Å; K371-S373 PolarHBondContact O-N 3.27Å; K371-S373 VanDerWaalsContact O-N 3.12Å; K371-K390 CarbonylContact O-C 3.6Å; K371-K390 WeakPolarHBondContact O-CA 2.98Å; K371-K390 WeakPolarHBondContact O-CB 3.34Å; K371-S391 PolarHBondContact N-O 3.18Å; K371-S391 PolarHBondContact O-N 3.08Å
372	R	81.1	Confident	68.9	Low	32 Å²	32	75.1 Å²	75.1	12%	0.121	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-47	122	175.3	-169.5	68.1	164.1	112.3	-2.7	109.7	E25 Y27 V374 T383 R387	E25-R372 IonicContact OE2-CZ 3.63Å; E25-R372 IonicContact OE2-NE 3.97Å; E25-R372 PolarHBondContact OE2-NE 2.94Å; E25-R372 IonicContact OE2-NH2 3.83Å; E25-R372 PolarHBondContact OE2-NH2 3.12Å; Y27-R372 PolarHBondContact OH-NH2 3.37Å; R372-V374 PolarHBondContact O-N 3.21Å; R372-T383 HydrophobicContact CG-CG2 4.41Å; R372-R387 PolarHBondContact NH1-O 3.42Å
373	S	71.8	Confident	66.6	Low	5 Å²	5	79.5 Å²	79.5	4%	0.035	43%	0.432	C	S	.	.			trans	-69	126.4	179.8	-62	0	0	0	0	109.6	K371 S389 K390 S391	K371-S373 PolarHBondContact O-N 3.27Å; K371-S373 VanDerWaalsContact O-N 3.12Å; S373-S389 WeakPolarHBondContact CB-O 3.4Å; S373-S389 VanDerWaalsContact CB-OG 3.26Å; S373-S389 WeakPolarHBondContact CB-OG 3.21Å; S373-S389 PolarHBondContact N-O 2.75Å; S373-S389 PolarHBondContact OG-O 3.25Å; S373-S389 PolarHBondContact OG-OG 3.1Å; S373-K390 VanDerWaalsContact OG-C 3.28Å; S373-S391 VanDerWaalsContact OG-CB 3.26Å; S373-S391 WeakPolarHBondContact OG-CB 3.34Å; S373-S391 PolarHBondContact OG-N 3.4Å; S373-S391 PolarHBondContact OG-OG 3.43Å
374	V	66.4	Low	64.6	Low	59 Å²	59	79 Å²	79	36%	0.358	44%	0.435	S	S	.	.			trans	-112.2	142.6	170.7	-65	0	0	0	0	108.5	R372	R372-V374 PolarHBondContact O-N 3.21Å
375	V	55.6	Low	62.9	Low	44 Å²	44	76.4 Å²	76.4	27%	0.267	43%	0.431	S	S	.	.			trans	-96	143.7	165.1	-175	0	0	0	0	107.6	A377 Y386 Y436	V375-A377 PolarHBondContact O-N 3.35Å; V375-Y386 HydrophobicContact CB-CE2 3.93Å; V375-Y386 VanDerWaalsContact CB-OH 3.26Å; V375-Y386 WeakPolarHBondContact CB-OH 3.39Å; V375-Y386 HydrophobicContact CG2-CE2 3.53Å; V375-Y436 HydrophobicContact CG2-CE1 4.32Å; V375-Y436 HydrophobicContact CG2-CE2 4.39Å; V375-Y436 WeakPolarHBondContact CG2-OH 3.32Å
376	A	43.6	Very low	61.5	Low	58 Å²	58	76.3 Å²	76.3	48%	0.479	43%	0.427	S	S	.	.			trans	-76.3	63.9	-179	0	0	0	0	0	110.3	P449	A376-P449 HydrophobicContact CB-CB 3.86Å; A376-P449 HydrophobicContact CB-CG 3.62Å
377	A	33.9	Very low	60.4	Low	66 Å²	66	76.7 Å²	76.7	55%	0.545	43%	0.428	S	S	.	.			trans	-97.5	92	174.9	0	0	0	0	0	109.4	V375	V375-A377 PolarHBondContact O-N 3.35Å
378	G	40.5	Very low	59.8	Low	63 Å²	63	73.3 Å²	73.3	65%	0.649	41%	0.412	S	S	*	.	S	Bend	trans	79.6	-175.5	172.3	0	0	0	0	0	116.6	K380	G378-K380 PolarHBondContact O-N 3.44Å
379	E	30.2	Very low	59.5	Low	207 Å²	207	68.2 Å²	68.2	97%	0.967	38%	0.379	S	S	*	.	S	Bend	trans	-72.2	-10.9	-174.7	-67.8	-170	153.7	0	0	114.2
380	K	33.3	Very low	59.3	Low	154 Å²	154	66.9 Å²	66.9	67%	0.67	36%	0.364	S	S	*	.			trans	-114.7	112.1	174.5	-75.2	-173.5	174	-174.5	0	110.5	G378 E382	G378-K380 PolarHBondContact O-N 3.44Å; K380-E382 HydrophobicContact CB-CG 4.28Å; K380-E382 WeakPolarHBondContact CD-OE1 3.48Å; K380-E382 IonicContact NZ-OE1 3.66Å; K380-E382 PolarHBondContact O-N 2.86Å
381	Q	37.3	Very low	59.4	Low	152 Å²	152	66.6 Å²	66.6	71%	0.71	36%	0.364	S	S	*	.			trans	-73.2	74.3	166.1	-70.3	-178.8	-21.1	0	0	109
382	E	37.9	Very low	59.8	Low	129 Å²	129	60.5 Å²	60.5	60%	0.603	34%	0.337	S	S	*	.			trans	-80.2	135.9	170.9	-76.7	176.3	-170.6	0	0	109.8	K380 A384	K380-E382 HydrophobicContact CB-CG 4.28Å; K380-E382 WeakPolarHBondContact CD-OE1 3.48Å; K380-E382 IonicContact NZ-OE1 3.66Å; K380-E382 PolarHBondContact O-N 2.86Å; E382-A384 PolarHBondContact O-N 3.49Å
383	T	47.6	Very low	60.3	Low	93 Å²	93	64.5 Å²	64.5	57%	0.571	35%	0.353	S	S	*	.			trans	-60.2	99.8	169.9	47	0	0	0	0	108.2	R372	R372-T383 HydrophobicContact CG-CG2 4.41Å
384	A	52.6	Low	61.4	Low	26 Å²	26	65.2 Å²	65.2	22%	0.215	36%	0.356	C	S	.	.			trans	-100.5	135	-169.1	0	0	0	0	0	112	E382 Y386 R387	E382-A384 PolarHBondContact O-N 3.49Å; A384-Y386 HydrophobicContact CB-CD1 3.23Å; A384-Y386 HydrophobicContact CB-CE1 2.94Å; A384-Y386 HydrophobicContact CB-CE2 4.38Å; A384-Y386 HydrophobicContact CB-CG 4.07Å; A384-Y386 PolarHBondContact O-N 2.91Å; A384-R387 PolarHBondContact O-N 3.45Å
385	D	59.5	Low	62.6	Low	86 Å²	86	66.1 Å²	66.1	46%	0.46	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.3	-178.7	-79.5	-24.6	0	0	0	113.4	K138 R387 H435	K138-D385 IonicContact NZ-OD1 2.76Å; K138-D385 IonicContact NZ-OD2 2.92Å; K138-D385 PolarHBondContact NZ-OD2 3.44Å; D385-R387 PolarHBondContact O-N 2.74Å; D385-H435 PolarHBondContact O-CE1 3.21Å
386	Y	64.4	Low	63.8	Low	62 Å²	62	65 Å²	65	24%	0.243	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13	-179.6	69.6	-111.5	0	0	0	115.3	V375 A384 E437	V375-Y386 HydrophobicContact CB-CE2 3.93Å; V375-Y386 VanDerWaalsContact CB-OH 3.26Å; V375-Y386 WeakPolarHBondContact CB-OH 3.39Å; V375-Y386 HydrophobicContact CG2-CE2 3.53Å; A384-Y386 HydrophobicContact CB-CD1 3.23Å; A384-Y386 HydrophobicContact CB-CE1 2.94Å; A384-Y386 HydrophobicContact CB-CE2 4.38Å; A384-Y386 HydrophobicContact CB-CG 4.07Å; A384-Y386 PolarHBondContact O-N 2.91Å; Y386-E437 WeakPolarHBondContact CB-OE2 3.22Å; Y386-E437 WeakPolarHBondContact O-CG 3.49Å; Y386-E437 PolarHBondContact O-N 2.94Å
387	R	72.1	Confident	65.7	Low	8 Å²	8	67.7 Å²	67.7	3%	0.03	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-137	111.8	174.8	-175	-177	-177	168.8	2.1	111.1	R372 A384 D385 S389 Q426 Y436	R372-R387 PolarHBondContact NH1-O 3.42Å; A384-R387 PolarHBondContact O-N 3.45Å; D385-R387 PolarHBondContact O-N 2.74Å; R387-S389 PolarHBondContact NE-OG 2.97Å; R387-Q426 VanDerWaalsContact NH2-OE1 3.1Å; R387-Y436 HydrophobicContact CB-CD1 4.36Å; R387-Y436 HydrophobicContact CB-CG 4.44Å; R387-Y436 HydrophobicContact CG-CD1 3.55Å; R387-Y436 HydrophobicContact CG-CE1 3.96Å; R387-Y436 HydrophobicContact CG-CG 4Å; R387-Y436 VanDerWaalsContact NE-CD1 3.29Å; R387-Y436 VanDerWaalsContact NE-CE1 3.27Å; R387-Y436 VanDerWaalsContact NH1-CE1 3.31Å
388	I	78.5	Confident	68	Low	1 Å²	1	70.4 Å²	70.4	1%	0.005	37%	0.37	C	S	.	.			trans	-108	83.2	178.4	-54	-53.4	0	0	0	110	Y27 T28 R142 G434 H435	Y27-I388 HydrophobicContact CD2-CG2 4.23Å; Y27-I388 HydrophobicContact CE2-CD1 4.33Å; Y27-I388 HydrophobicContact CE2-CG2 4.03Å; T28-I388 HydrophobicContact CG2-CG2 4.19Å; R142-I388 VanDerWaalsContact NH1-CG1 3.26Å; I388-G434 VanDerWaalsContact O-CA 3.26Å; I388-G434 WeakPolarHBondContact O-CA 3.43Å; I388-H435 PolarHBondContact N-O 3.37Å
389	S	82.6	Confident	70.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	165.9	176.7	66.9	0	0	0	0	112	T28 S373 R387 V428 N429	T28-S389 CarbonylContact O-C 3.59Å; T28-S389 WeakPolarHBondContact O-CA 3.25Å; S373-S389 WeakPolarHBondContact CB-O 3.4Å; S373-S389 VanDerWaalsContact CB-OG 3.26Å; S373-S389 WeakPolarHBondContact CB-OG 3.21Å; S373-S389 PolarHBondContact N-O 2.75Å; S373-S389 PolarHBondContact OG-O 3.25Å; S373-S389 PolarHBondContact OG-OG 3.1Å; R387-S389 PolarHBondContact NE-OG 2.97Å; S389-V428 VanDerWaalsContact CB-CG1 3.5Å; S389-N429 CarbonylContact C-O 3.5Å; S389-N429 VanDerWaalsContact CA-O 3.28Å; S389-N429 WeakPolarHBondContact CA-O 3.42Å; S389-N429 VanDerWaalsContact CB-O 3.28Å; S389-N429 WeakPolarHBondContact CB-O 3.32Å
390	K	84.5	Confident	73.3	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.035	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.4	160.2	-65.5	-170.4	-178.2	178.4	0	110.6	G24 E25 T28 N32 L370 K371 S373 V428 N429	G24-K390 PolarHBondContact O-NZ 3.47Å; E25-K390 WeakPolarHBondContact O-CE 3.26Å; E25-K390 PolarHBondContact O-NZ 3.27Å; T28-K390 WeakPolarHBondContact OG1-CE 3.36Å; T28-K390 WeakPolarHBondContact OG1-CG 3.36Å; N32-K390 VanDerWaalsContact OD1-CD 3.31Å; N32-K390 WeakPolarHBondContact OD1-CD 3.42Å; N32-K390 VanDerWaalsContact OD1-CE 3.32Å; N32-K390 WeakPolarHBondContact OD1-CE 3.29Å; N32-K390 PolarHBondContact OD1-NZ 3.44Å; L370-K390 HydrophobicContact CB-CB 4.14Å; L370-K390 HydrophobicContact CD2-CB 4.16Å; K371-K390 CarbonylContact O-C 3.6Å; K371-K390 WeakPolarHBondContact O-CA 2.98Å; K371-K390 WeakPolarHBondContact O-CB 3.34Å; S373-K390 VanDerWaalsContact OG-C 3.28Å; K390-V428 CarbonylContact O-C 3.44Å; K390-V428 VanDerWaalsContact O-CA 3.28Å; K390-V428 WeakPolarHBondContact O-CA 3.36Å; K390-V428 WeakPolarHBondContact O-CG1 3.36Å; K390-N429 PolarHBondContact N-O 2.92Å; K390-N429 PolarHBondContact O-N 3.3Å
391	S	89.3	Confident	76.3	Confident	14 Å²	14	55.9 Å²	55.9	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.5	-179.6	52.5	0	0	0	0	113	K371 S373 V427	K371-S391 PolarHBondContact N-O 3.18Å; K371-S391 PolarHBondContact O-N 3.08Å; S373-S391 VanDerWaalsContact OG-CB 3.26Å; S373-S391 WeakPolarHBondContact OG-CB 3.34Å; S373-S391 PolarHBondContact OG-N 3.4Å; S373-S391 PolarHBondContact OG-OG 3.43Å; S391-V427 CarbonylContact C-O 3.53Å; S391-V427 WeakPolarHBondContact CA-O 3.22Å
392	A	92.3	Very high	79	Confident	3 Å²	3	48.6 Å²	48.6	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161.8	171.7	0	0	0	0	0	109.6	A366 G369 L370 Q426 V427	A366-A392 HydrophobicContact CB-CB 4Å; A366-A392 VanDerWaalsContact O-CB 3.31Å; A366-A392 WeakPolarHBondContact O-CB 3.47Å; G369-A392 VanDerWaalsContact C-CB 3.5Å; L370-A392 HydrophobicContact CD2-CB 4.18Å; A392-Q426 CarbonylContact O-C 3.48Å; A392-Q426 WeakPolarHBondContact O-CA 3.45Å; A392-V427 PolarHBondContact N-O 3.48Å; A392-V427 PolarHBondContact O-N 2.86Å
393	W	93.1	Very high	81.8	Confident	116 Å²	116	43.4 Å²	43.4	44%	0.439	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.1	179.9	-62.9	86.7	0	0	0	110	E423 F424 L425 Q426 W525	W393-E423 VanDerWaalsContact CH2-OE2 3.26Å; W393-E423 WeakPolarHBondContact CH2-OE2 3.19Å; W393-E423 HydrophobicContact CZ3-CB 4.11Å; W393-F424 HydrophobicContact CB-CB 4.49Å; W393-F424 HydrophobicContact CE3-CB 4.05Å; W393-F424 VanDerWaalsContact CE3-O 3.32Å; W393-F424 WeakPolarHBondContact CZ3-O 3.35Å; W393-L425 WeakPolarHBondContact CA-O 3.39Å; W393-Q426 HydrophobicContact CD2-CB 4.2Å; W393-Q426 HydrophobicContact CD2-CG 4.41Å; W393-Q426 HydrophobicContact CE3-CB 3.81Å; W393-Q426 HydrophobicContact CE3-CG 4.5Å; W393-Q426 HydrophobicContact CH2-CB 4.16Å; W393-Q426 HydrophobicContact CZ2-CB 4.45Å; W393-Q426 HydrophobicContact CZ2-CG 4.35Å; W393-Q426 HydrophobicContact CZ3-CB 3.8Å; W393-W525 HydrophobicContact CH2-CE3 4.12Å; W393-W525 AromaticContact CH2-CZ3 3.58Å; W393-W525 HydrophobicContact CH2-CZ3 3.58Å; W393-W525 HydrophobicContact CZ2-CZ3 4.41Å; W393-W525 HydrophobicContact CZ3-CE3 4.33Å; W393-W525 HydrophobicContact CZ3-CZ3 4.09Å
394	L	94.1	Very high	84	Confident	20 Å²	20	44.9 Å²	44.9	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.6	-178.9	-56.4	-177.8	0	0	0	110.8	I362 L365 A366 V402 L425 V427	I362-L394 HydrophobicContact CG2-CD1 4.12Å; L365-L394 HydrophobicContact CB-CD1 3.86Å; L365-L394 HydrophobicContact CB-CD2 4.06Å; A366-L394 HydrophobicContact CB-CD1 4.42Å; L394-V402 HydrophobicContact CB-CG2 4.13Å; L394-V402 HydrophobicContact CD1-CG2 4.13Å; L394-L425 HydrophobicContact CB-CB 4.42Å; L394-L425 PolarHBondContact N-O 3.17Å; L394-L425 PolarHBondContact O-N 2.92Å; L394-L425 VanDerWaalsContact O-N 3.07Å; L394-V427 HydrophobicContact CD1-CG2 3.77Å; L394-V427 HydrophobicContact CG-CG2 4.13Å
395	K	91.9	Very high	86.1	Confident	78 Å²	78	43.7 Å²	43.7	34%	0.339	23%	0.232	S	C	.	.			trans	-91.5	137.5	176.3	-51.1	-169.4	-160.8	129	0	110.5	S397 E398 F424	K395-S397 PolarHBondContact O-N 3.35Å; K395-E398 HydrophobicContact CB-CB 4.41Å; K395-E398 HydrophobicContact CB-CG 4.07Å; K395-E398 WeakPolarHBondContact CD-OE1 3.31Å; K395-E398 WeakPolarHBondContact CE-OE1 3.42Å; K395-E398 IonicContact NZ-OE1 3.49Å; K395-E398 PolarHBondContact NZ-OE1 3.31Å; K395-E398 PolarHBondContact O-N 2.9Å; K395-F424 HydrophobicContact CB-CD1 4.13Å; K395-F424 HydrophobicContact CB-CE1 4.15Å; K395-F424 HydrophobicContact CD-CD2 4.49Å; K395-F424 HydrophobicContact CD-CE1 4.04Å; K395-F424 HydrophobicContact CD-CE2 3.97Å; K395-F424 HydrophobicContact CD-CZ 3.73Å; K395-F424 HydrophobicContact CG-CD1 3.86Å; K395-F424 HydrophobicContact CG-CD2 4.06Å; K395-F424 HydrophobicContact CG-CE1 3.84Å; K395-F424 HydrophobicContact CG-CE2 4.02Å; K395-F424 HydrophobicContact CG-CG 3.99Å; K395-F424 HydrophobicContact CG-CZ 3.92Å
396	G	81.8	Confident	87.8	Confident	22 Å²	22	40 Å²	40	23%	0.227	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.4	176.9	0	0	0	0	0	114.1	E398	G396-E398 VanDerWaalsContact C-N 3.29Å; G396-E398 PolarHBondContact O-N 3.49Å
397	S	82.9	Confident	89.2	Confident	113 Å²	113	43.1 Å²	43.1	79%	0.79	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-72.5	-19.4	177.2	57.2	0	0	0	0	114.1	K395	K395-S397 PolarHBondContact O-N 3.35Å
398	E	82.1	Confident	90.3	Very high	124 Å²	124	46.3 Å²	46.3	58%	0.579	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-94.8	-9.6	-174.9	-66.4	171.9	179.7	0	0	112	K395 G396	K395-E398 HydrophobicContact CB-CB 4.41Å; K395-E398 HydrophobicContact CB-CG 4.07Å; K395-E398 WeakPolarHBondContact CD-OE1 3.31Å; K395-E398 WeakPolarHBondContact CE-OE1 3.42Å; K395-E398 IonicContact NZ-OE1 3.49Å; K395-E398 PolarHBondContact NZ-OE1 3.31Å; K395-E398 PolarHBondContact O-N 2.9Å; G396-E398 VanDerWaalsContact C-N 3.29Å; G396-E398 PolarHBondContact O-N 3.49Å
399	S	89.3	Confident	91.2	Very high	18 Å²	18	46.3 Å²	46.3	13%	0.126	24%	0.241	C	C	.	.			trans	-149.9	128.4	178.2	169.8	0	0	0	0	112.2	L365 T401 V402 G403	L365-S399 VanDerWaalsContact CD1-OG 3.28Å; L365-S399 WeakPolarHBondContact CD1-OG 3.11Å; S399-T401 PolarHBondContact O-N 3.42Å; S399-T401 PolarHBondContact OG-N 3.16Å; S399-V402 PolarHBondContact O-N 2.89Å; S399-V402 PolarHBondContact OG-N 2.96Å; S399-G403 PolarHBondContact O-N 3.11Å
400	S	93.3	Very high	91.8	Very high	91 Å²	91	47.7 Å²	47.7	64%	0.636	25%	0.251	S	S	*	.	H	α-helix	trans	-61.8	-29.9	175.4	67.1	0	0	0	0	113	R404	S400-R404 WeakPolarHBondContact O-CB 3.44Å; S400-R404 VanDerWaalsContact O-CG 3.27Å; S400-R404 WeakPolarHBondContact O-CG 3.43Å; S400-R404 PolarHBondContact O-N 3.07Å; S400-R404 PolarHBondContact O-NE 3.36Å
401	T	95.1	Very high	92.3	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-46.7	175.5	-63.4	0	0	0	0	110.9	E358 D361 I362 S399 R404 L405	E358-T401 HydrophobicContact CB-CG2 4.11Å; E358-T401 HydrophobicContact CG-CG2 4.05Å; D361-T401 HydrophobicContact CB-CG2 4.39Å; D361-T401 WeakPolarHBondContact OD2-CB 3.28Å; D361-T401 PolarHBondContact OD2-OG1 3.37Å; I362-T401 HydrophobicContact CD1-CG2 4.45Å; I362-T401 HydrophobicContact CG1-CG2 4.15Å; S399-T401 PolarHBondContact O-N 3.42Å; S399-T401 PolarHBondContact OG-N 3.16Å; T401-R404 PolarHBondContact O-N 3.37Å; T401-R404 PolarHBondContact OG1-NH2 2.87Å; T401-L405 WeakPolarHBondContact O-CB 3.31Å; T401-L405 PolarHBondContact O-N 2.71Å
402	V	94.8	Very high	92.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-41.2	177.9	-177.4	0	0	0	0	110.9	L394 S399 R404 L405 D406 L425	L394-V402 HydrophobicContact CB-CG2 4.13Å; L394-V402 HydrophobicContact CD1-CG2 4.13Å; S399-V402 PolarHBondContact O-N 2.89Å; S399-V402 PolarHBondContact OG-N 2.96Å; V402-R404 PolarHBondContact O-N 3.18Å; V402-L405 WeakPolarHBondContact O-CB 3.4Å; V402-L405 PolarHBondContact O-N 2.88Å; V402-D406 PolarHBondContact O-N 3.26Å; V402-L425 HydrophobicContact CG1-CB 4.25Å; V402-L425 HydrophobicContact CG1-CD2 4.25Å
403	G	95	Very high	92.8	Very high	20 Å²	20	49.6 Å²	49.6	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-41.1	176	0	0	0	0	0	113.6	S399 L405 D406 Q407	S399-G403 PolarHBondContact O-N 3.11Å; G403-L405 VanDerWaalsContact C-N 3.32Å; G403-D406 PolarHBondContact O-N 2.88Å; G403-Q407 WeakPolarHBondContact O-CG 3.27Å; G403-Q407 PolarHBondContact O-N 3.34Å
404	R	94.9	Very high	92.8	Very high	123 Å²	123	45.3 Å²	45.3	46%	0.464	25%	0.254	S	S	.	.	H	α-helix	trans	-66.2	-35.7	173.3	-75.2	-176.2	-61.6	152.3	3	112.1	S400 T401 V402 Q407 R408	S400-R404 WeakPolarHBondContact O-CB 3.44Å; S400-R404 VanDerWaalsContact O-CG 3.27Å; S400-R404 WeakPolarHBondContact O-CG 3.43Å; S400-R404 PolarHBondContact O-N 3.07Å; S400-R404 PolarHBondContact O-NE 3.36Å; T401-R404 PolarHBondContact O-N 3.37Å; T401-R404 PolarHBondContact OG1-NH2 2.87Å; V402-R404 PolarHBondContact O-N 3.18Å; R404-Q407 PolarHBondContact O-N 3.44Å; R404-R408 PolarHBondContact O-N 3.25Å
405	L	95.8	Very high	92.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-46.5	175.9	-173.6	64.7	0	0	0	111.3	F353 I354 I362 T401 V402 G403 Q407 R408 I409 L425 I464	F353-L405 HydrophobicContact CD1-CD1 4.29Å; F353-L405 HydrophobicContact CE1-CD1 3.55Å; F353-L405 HydrophobicContact CZ-CD1 4.32Å; I354-L405 HydrophobicContact CG2-CD1 3.67Å; I362-L405 HydrophobicContact CD1-CD2 3.79Å; T401-L405 WeakPolarHBondContact O-CB 3.31Å; T401-L405 PolarHBondContact O-N 2.71Å; V402-L405 WeakPolarHBondContact O-CB 3.4Å; V402-L405 PolarHBondContact O-N 2.88Å; G403-L405 VanDerWaalsContact C-N 3.32Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 3.41Å; L405-R408 WeakPolarHBondContact O-CB 3.45Å; L405-R408 PolarHBondContact O-N 3.08Å; L405-R408 VanDerWaalsContact O-N 3.09Å; L405-I409 HydrophobicContact CG-CD1 4.14Å; L405-I409 VanDerWaalsContact O-CG1 3.32Å; L405-I409 WeakPolarHBondContact O-CG1 3.3Å; L405-I409 PolarHBondContact O-N 3.4Å; L405-L425 HydrophobicContact CD2-CD1 4.34Å; L405-L425 HydrophobicContact CD2-CD2 3.89Å; L405-I464 HydrophobicContact CD1-CD1 3.89Å; L405-I464 HydrophobicContact CD2-CD1 3.67Å; L405-I464 HydrophobicContact CG-CD1 4.08Å
406	D	95.8	Very high	93	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.048	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-45.9	175.3	-78.8	-15.4	0	0	0	111.1	V402 G403 R408 I409 S410 V417 K524	V402-D406 PolarHBondContact O-N 3.26Å; G403-D406 PolarHBondContact O-N 2.88Å; D406-R408 VanDerWaalsContact C-N 3.33Å; D406-R408 PolarHBondContact O-N 2.79Å; D406-I409 PolarHBondContact O-N 3.11Å; D406-S410 PolarHBondContact O-N 3.19Å; D406-V417 HydrophobicContact CB-CG2 3.96Å; D406-V417 WeakPolarHBondContact O-CG2 3.45Å; D406-K524 WeakPolarHBondContact OD1-CE 3.5Å; D406-K524 IonicContact OD1-NZ 2.77Å; D406-K524 PolarHBondContact OD1-NZ 2.92Å; D406-K524 IonicContact OD2-NZ 3.86Å; D406-K524 PolarHBondContact OD2-NZ 3.15Å; D406-K524 VanDerWaalsContact OD2-NZ 3.17Å
407	Q	94.3	Very high	93.7	Very high	127 Å²	127	42.3 Å²	42.3	59%	0.593	24%	0.236	S	C	*	.	H	α-helix	trans	-59.7	-42.6	175.2	-70	175.9	0.4	0	0	112.5	G403 R404 L405 S410 V411	G403-Q407 WeakPolarHBondContact O-CG 3.27Å; G403-Q407 PolarHBondContact O-N 3.34Å; R404-Q407 PolarHBondContact O-N 3.44Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 3.41Å; Q407-S410 PolarHBondContact O-N 2.91Å; Q407-V411 WeakPolarHBondContact O-CG2 3.31Å; Q407-V411 PolarHBondContact O-N 2.99Å
408	R	95.5	Very high	94.1	Very high	75 Å²	75	41.9 Å²	41.9	28%	0.283	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-44	177.9	-168.2	-176.2	-62.3	154.5	9.5	111.4	F353 E358 R404 L405 D406 S410 V411 V412	F353-R408 HydrophobicContact CE2-CB 4.5Å; F353-R408 HydrophobicContact CE2-CG 3.64Å; F353-R408 HydrophobicContact CZ-CB 4.12Å; F353-R408 HydrophobicContact CZ-CG 3.72Å; F353-R408 WeakPolarHBondContact O-CD 3.36Å; F353-R408 PolarHBondContact O-NH1 2.84Å; E358-R408 IonicContact OE1-CZ 2.82Å; E358-R408 IonicContact OE1-NH1 3.59Å; E358-R408 PolarHBondContact OE1-NH1 3.22Å; E358-R408 IonicContact OE1-NH2 3.72Å; E358-R408 PolarHBondContact OE1-NH2 2.88Å; E358-R408 IonicContact OE2-CZ 3.25Å; E358-R408 IonicContact OE2-NH1 3.56Å; E358-R408 PolarHBondContact OE2-NH1 3.44Å; E358-R408 IonicContact OE2-NH2 3Å; R404-R408 PolarHBondContact O-N 3.25Å; L405-R408 WeakPolarHBondContact O-CB 3.45Å; L405-R408 PolarHBondContact O-N 3.08Å; L405-R408 VanDerWaalsContact O-N 3.09Å; D406-R408 VanDerWaalsContact C-N 3.33Å; D406-R408 PolarHBondContact O-N 2.79Å; R408-S410 VanDerWaalsContact C-N 3.35Å; R408-V411 PolarHBondContact O-N 2.86Å; R408-V412 WeakPolarHBondContact O-CG2 3.44Å; R408-V412 PolarHBondContact O-N 2.92Å
409	I	96.9	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-44.4	176.3	-62.5	168.9	0	0	0	110	F353 L405 D406 V411 V412 T413 V417 F462 I464 K524	F353-I409 HydrophobicContact CE1-CG1 3.96Å; F353-I409 HydrophobicContact CZ-CG1 3.68Å; L405-I409 HydrophobicContact CG-CD1 4.14Å; L405-I409 VanDerWaalsContact O-CG1 3.32Å; L405-I409 WeakPolarHBondContact O-CG1 3.3Å; L405-I409 PolarHBondContact O-N 3.4Å; D406-I409 PolarHBondContact O-N 3.11Å; I409-V411 PolarHBondContact O-N 3.24Å; I409-V412 PolarHBondContact O-N 3.22Å; I409-T413 HydrophobicContact CG2-CG2 4.05Å; I409-T413 WeakPolarHBondContact O-CB 3.3Å; I409-T413 WeakPolarHBondContact O-CG2 3.47Å; I409-T413 PolarHBondContact O-N 3.33Å; I409-T413 PolarHBondContact O-OG1 3.26Å; I409-V417 HydrophobicContact CB-CG2 4.29Å; I409-V417 HydrophobicContact CG2-CG1 3.85Å; I409-V417 HydrophobicContact CG2-CG2 4.44Å; I409-F462 HydrophobicContact CD1-CD1 3.95Å; I409-F462 HydrophobicContact CD1-CE1 4.25Å; I409-F462 HydrophobicContact CG1-CD1 3.87Å; I409-F462 HydrophobicContact CG1-CE1 3.77Å; I409-F462 HydrophobicContact CG1-CG 4.44Å; I409-F462 HydrophobicContact CG1-CZ 4.27Å; I409-F462 HydrophobicContact CG2-CB 4.26Å; I409-F462 HydrophobicContact CG2-CD1 4.15Å; I409-F462 HydrophobicContact CG2-CD2 3.97Å; I409-F462 HydrophobicContact CG2-CE2 4.36Å; I409-F462 HydrophobicContact CG2-CG 3.86Å; I409-I464 HydrophobicContact CD1-CD1 4.35Å; I409-K524 HydrophobicContact CD1-CB 4.16Å; I409-K524 HydrophobicContact CD1-CG 4.18Å
410	S	95.5	Very high	94.6	Very high	29 Å²	29	42.4 Å²	42.4	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-44.9	176.5	-93.3	0	0	0	0	112.7	D406 Q407 R408 V412 G414 L415 V417	D406-S410 PolarHBondContact O-N 3.19Å; Q407-S410 PolarHBondContact O-N 2.91Å; R408-S410 VanDerWaalsContact C-N 3.35Å; S410-V412 PolarHBondContact O-N 3.15Å; S410-G414 VanDerWaalsContact O-CA 3.29Å; S410-G414 WeakPolarHBondContact O-CA 3.42Å; S410-G414 PolarHBondContact O-N 2.93Å; S410-L415 VanDerWaalsContact CA-O 3.28Å; S410-L415 WeakPolarHBondContact CA-O 3.46Å; S410-L415 VanDerWaalsContact CB-O 3.3Å; S410-L415 WeakPolarHBondContact CB-O 3.36Å; S410-L415 PolarHBondContact OG-O 2.91Å; S410-V417 WeakPolarHBondContact OG-CG2 3.43Å; S410-V417 PolarHBondContact OG-N 3.25Å
411	V	95.3	Very high	94.6	Very high	47 Å²	47	42.4 Å²	42.4	29%	0.285	21%	0.214	S	C	.	.	H	α-helix	trans	-64.8	-41.2	179.9	166.4	0	0	0	0	111.8	N325 A330 L331 Q407 R408 I409	N325-V411 PolarHBondContact ND2-O 3.33Å; A330-V411 HydrophobicContact CB-CG1 4.06Å; L331-V411 HydrophobicContact CD1-CG1 3.95Å; L331-V411 HydrophobicContact CD2-CG1 3.76Å; L331-V411 HydrophobicContact CG-CG1 3.53Å; Q407-V411 WeakPolarHBondContact O-CG2 3.31Å; Q407-V411 PolarHBondContact O-N 2.99Å; R408-V411 PolarHBondContact O-N 2.86Å; I409-V411 PolarHBondContact O-N 3.24Å
412	V	96.1	Very high	94.6	Very high	1 Å²	1	42 Å²	42	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-44	-178.7	170.5	0	0	0	0	112.1	N325 L331 V336 Y350 F353 R408 I409 S410	N325-V412 PolarHBondContact ND2-O 3.37Å; L331-V412 HydrophobicContact CD1-CG2 4.45Å; L331-V412 HydrophobicContact CD2-CG2 4.35Å; V336-V412 HydrophobicContact CG1-CG2 3.68Å; V336-V412 HydrophobicContact CG2-CG1 4.3Å; V336-V412 HydrophobicContact CG2-CG2 4.2Å; Y350-V412 HydrophobicContact CD1-CG1 3.89Å; Y350-V412 HydrophobicContact CD2-CG1 4.25Å; Y350-V412 HydrophobicContact CE1-CG1 3.44Å; Y350-V412 VanDerWaalsContact CE1-CG1 3.44Å; Y350-V412 HydrophobicContact CE2-CG1 3.86Å; Y350-V412 HydrophobicContact CG-CG1 4.26Å; Y350-V412 VanDerWaalsContact CZ-CG1 3.42Å; F353-V412 HydrophobicContact CE2-CG2 4.03Å; R408-V412 WeakPolarHBondContact O-CG2 3.44Å; R408-V412 PolarHBondContact O-N 2.92Å; I409-V412 PolarHBondContact O-N 3.22Å; S410-V412 PolarHBondContact O-N 3.15Å
413	T	95.3	Very high	94.6	Very high	18 Å²	18	43 Å²	43	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-83.4	-21.9	-176.8	60.1	0	0	0	0	113.1	I409 L415 F462 F493	I409-T413 HydrophobicContact CG2-CG2 4.05Å; I409-T413 WeakPolarHBondContact O-CB 3.3Å; I409-T413 WeakPolarHBondContact O-CG2 3.47Å; I409-T413 PolarHBondContact O-N 3.33Å; I409-T413 PolarHBondContact O-OG1 3.26Å; T413-L415 PolarHBondContact O-N 2.88Å; T413-L415 WeakPolarHBondContact OG1-CB 3.27Å; T413-L415 PolarHBondContact OG1-N 3.42Å; T413-F462 HydrophobicContact CG2-CD2 3.64Å; T413-F462 HydrophobicContact CG2-CE2 3.94Å; T413-F493 HydrophobicContact CG2-CD2 4.06Å; T413-F493 HydrophobicContact CG2-CE2 3.89Å; T413-F493 HydrophobicContact CG2-CZ 4.45Å
414	G	94.3	Very high	94.6	Very high	26 Å²	26	45.2 Å²	45.2	27%	0.268	22%	0.221	S	C	.	.			trans	73.3	6.2	-168.6	0	0	0	0	0	113.6	N325 S410 E534	N325-G414 WeakPolarHBondContact ND2-CA 3.29Å; N325-G414 PolarHBondContact ND2-N 3.1Å; S410-G414 VanDerWaalsContact O-CA 3.29Å; S410-G414 WeakPolarHBondContact O-CA 3.42Å; S410-G414 PolarHBondContact O-N 2.93Å; G414-E534 WeakPolarHBondContact O-CB 3.43Å
415	L	95.4	Very high	94.7	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	-99.5	153.9	-176.4	-60.5	172.8	0	0	0	111.5	S410 T413 V417 M459 A460 W495 I526 Q531 E534 R535	S410-L415 VanDerWaalsContact CA-O 3.28Å; S410-L415 WeakPolarHBondContact CA-O 3.46Å; S410-L415 VanDerWaalsContact CB-O 3.3Å; S410-L415 WeakPolarHBondContact CB-O 3.36Å; S410-L415 PolarHBondContact OG-O 2.91Å; T413-L415 PolarHBondContact O-N 2.88Å; T413-L415 WeakPolarHBondContact OG1-CB 3.27Å; T413-L415 PolarHBondContact OG1-N 3.42Å; L415-V417 HydrophobicContact CB-CG1 4.46Å; L415-V417 PolarHBondContact O-N 3.28Å; L415-M459 HydrophobicContact CD1-SD 4.33Å; L415-M459 HydrophobicContact CD2-SD 4.16Å; L415-A460 HydrophobicContact CD1-CB 4.3Å; L415-W495 HydrophobicContact CD1-CH2 3.65Å; L415-W495 HydrophobicContact CD1-CZ3 3.63Å; L415-W495 HydrophobicContact CD2-CH2 3.98Å; L415-W495 HydrophobicContact CD2-CZ3 4.28Å; L415-W495 HydrophobicContact CG-CH2 4.13Å; L415-W495 HydrophobicContact CG-CZ3 4.47Å; L415-I526 HydrophobicContact CB-CD1 4.35Å; L415-I526 HydrophobicContact CB-CG2 4.19Å; L415-I526 HydrophobicContact CD1-CB 4.47Å; L415-I526 HydrophobicContact CD1-CD1 3.71Å; L415-I526 HydrophobicContact CD1-CG2 4.02Å; L415-Q531 HydrophobicContact CD2-CB 4.36Å; L415-Q531 HydrophobicContact CD2-CG 4.27Å; L415-E534 HydrophobicContact CD2-CB 4.37Å; L415-R535 HydrophobicContact CD2-CB 4.35Å
416	N	94.6	Very high	94.7	Very high	50 Å²	50	39.7 Å²	39.7	27%	0.267	20%	0.2	S	C	.	.			trans	-79	107.5	170.3	-178.1	-3.3	0	0	0	110.2	M418 Y421 Q531	N416-M418 WeakPolarHBondContact OD1-CB 3.17Å; N416-M418 PolarHBondContact OD1-N 2.99Å; N416-M418 VanDerWaalsContact OD1-N 3.15Å; N416-Y421 WeakPolarHBondContact ND2-CD2 3.19Å; N416-Y421 WeakPolarHBondContact ND2-CE2 3.5Å; N416-Q531 PolarHBondContact O-NE2 2.94Å
417	V	94.9	Very high	94.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.			trans	-104.6	15	-178.8	-46.9	0	0	0	0	113.5	D406 I409 S410 L415 A422 K524 I526	D406-V417 HydrophobicContact CB-CG2 3.96Å; D406-V417 WeakPolarHBondContact O-CG2 3.45Å; I409-V417 HydrophobicContact CB-CG2 4.29Å; I409-V417 HydrophobicContact CG2-CG1 3.85Å; I409-V417 HydrophobicContact CG2-CG2 4.44Å; S410-V417 WeakPolarHBondContact OG-CG2 3.43Å; S410-V417 PolarHBondContact OG-N 3.25Å; L415-V417 HydrophobicContact CB-CG1 4.46Å; L415-V417 PolarHBondContact O-N 3.28Å; V417-A422 HydrophobicContact CB-CB 4.02Å; V417-A422 WeakPolarHBondContact O-CB 3.49Å; V417-K524 VanDerWaalsContact O-CE 3.26Å; V417-K524 WeakPolarHBondContact O-CE 3.38Å; V417-K524 PolarHBondContact O-NZ 3.23Å; V417-I526 HydrophobicContact CG1-CD1 3.64Å; V417-I526 HydrophobicContact CG1-CG1 3.93Å
418	M	91.6	Very high	94.8	Very high	104 Å²	104	33.2 Å²	33.2	51%	0.512	17%	0.17	S	C	.	.	S	Bend	trans	-81.1	141.6	175.2	-60.1	-60.2	-73.8	0	0	110	N416 Y421 A422	N416-M418 WeakPolarHBondContact OD1-CB 3.17Å; N416-M418 PolarHBondContact OD1-N 2.99Å; N416-M418 VanDerWaalsContact OD1-N 3.15Å; M418-Y421 WeakPolarHBondContact O-CA 3.29Å; M418-Y421 WeakPolarHBondContact O-CB 3.39Å; M418-Y421 WeakPolarHBondContact O-CD2 3.5Å; M418-Y421 PolarHBondContact O-N 2.89Å; M418-A422 PolarHBondContact O-N 2.88Å
419	H	90.3	Very high	94.8	Very high	105 Å²	105	29.6 Å²	29.6	49%	0.486	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	135.7	174.6	-179.9	-78.7	0	0	0	110.5	F424	H419-F424 HydrophobicContact CB-CE1 4.07Å; H419-F424 AromaticContact CD2-CE1 3.64Å; H419-F424 AromaticContact CD2-CZ 3.62Å; H419-F424 AromaticContact CG-CE1 3.95Å
420	P	91.9	Very high	94.5	Very high	49 Å²	49	30.1 Å²	30.1	32%	0.318	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.9	3.5	10.3	38.1	-37.1	0	0	0	115.2	A422 T455	P420-A422 PolarHBondContact O-N 2.64Å; P420-T455 HydrophobicContact CB-CG2 3.87Å; P420-T455 HydrophobicContact CG-CG2 4.22Å; P420-T455 VanDerWaalsContact O-CG2 3.24Å; P420-T455 WeakPolarHBondContact O-CG2 3.29Å
421	Y	93.1	Very high	94.2	Very high	90 Å²	90	28.8 Å²	28.8	35%	0.353	15%	0.149	S	C	.	.	S	Bend	trans	-74.3	-12.7	-174.6	-48.2	-63.7	0	0	0	113.8	N416 M418 H527 Y529	N416-Y421 WeakPolarHBondContact ND2-CD2 3.19Å; N416-Y421 WeakPolarHBondContact ND2-CE2 3.5Å; M418-Y421 WeakPolarHBondContact O-CA 3.29Å; M418-Y421 WeakPolarHBondContact O-CB 3.39Å; M418-Y421 WeakPolarHBondContact O-CD2 3.5Å; M418-Y421 PolarHBondContact O-N 2.89Å; Y421-H527 WeakPolarHBondContact O-CB 3.21Å; Y421-H527 PolarHBondContact O-N 3.2Å; Y421-Y529 WeakPolarHBondContact CD1-O 3.4Å
422	A	94.7	Very high	93.8	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-138.4	154.6	163.7	0	0	0	0	0	110.3	V417 M418 P420 W525 I526	V417-A422 HydrophobicContact CB-CB 4.02Å; V417-A422 WeakPolarHBondContact O-CB 3.49Å; M418-A422 PolarHBondContact O-N 2.88Å; P420-A422 PolarHBondContact O-N 2.64Å; A422-W525 CarbonylContact C-O 3.55Å; A422-W525 VanDerWaalsContact CA-O 3.23Å; A422-W525 WeakPolarHBondContact CA-O 3.39Å; A422-W525 VanDerWaalsContact CB-O 3.28Å; A422-W525 WeakPolarHBondContact CB-O 3.4Å; A422-I526 HydrophobicContact CB-CG1 4.26Å
423	E	94.8	Very high	93.4	Very high	21 Å²	21	29 Å²	29	10%	0.098	15%	0.148	C	C	.	.			trans	-69	163.8	175.7	-58.5	-171.1	-163.7	0	0	111.3	W393 L453 R458 K524 W525 H527	W393-E423 VanDerWaalsContact CH2-OE2 3.26Å; W393-E423 WeakPolarHBondContact CH2-OE2 3.19Å; W393-E423 HydrophobicContact CZ3-CB 4.11Å; E423-L453 HydrophobicContact CG-CD1 4.4Å; E423-R458 IonicContact OE1-CZ 3.29Å; E423-R458 IonicContact OE1-NE 2.73Å; E423-R458 PolarHBondContact OE1-NE 3.41Å; E423-R458 IonicContact OE1-NH2 2.68Å; E423-R458 PolarHBondContact OE1-NH2 3.49Å; E423-R458 IonicContact OE2-CZ 3.23Å; E423-R458 IonicContact OE2-NH2 3.3Å; E423-R458 PolarHBondContact OE2-NH2 3.04Å; E423-K524 WeakPolarHBondContact O-CD 3.42Å; E423-K524 WeakPolarHBondContact O-CE 3.33Å; E423-K524 PolarHBondContact O-NZ 3.16Å; E423-K524 VanDerWaalsContact O-NZ 3.08Å; E423-W525 HydrophobicContact CB-CB 4.47Å; E423-W525 HydrophobicContact CG-CB 4.21Å; E423-W525 PolarHBondContact N-O 2.87Å; E423-H527 VanDerWaalsContact CG-NE2 3.25Å; E423-H527 WeakPolarHBondContact CG-NE2 3.47Å; E423-H527 IonicContact OE1-CE1 3.91Å; E423-H527 IonicContact OE1-NE2 2.7Å; E423-H527 PolarHBondContact OE1-NE2 3.29Å
424	F	95.1	Very high	93.1	Very high	66 Å²	66	28.1 Å²	28.1	29%	0.289	14%	0.143	S	C	.	.			trans	-61.9	155.7	168.9	-63.3	-43.4	0	0	0	110.5	W393 K395 H419 Q426	W393-F424 HydrophobicContact CB-CB 4.49Å; W393-F424 HydrophobicContact CE3-CB 4.05Å; W393-F424 VanDerWaalsContact CE3-O 3.32Å; W393-F424 WeakPolarHBondContact CZ3-O 3.35Å; K395-F424 HydrophobicContact CB-CD1 4.13Å; K395-F424 HydrophobicContact CB-CE1 4.15Å; K395-F424 HydrophobicContact CD-CD2 4.49Å; K395-F424 HydrophobicContact CD-CE1 4.04Å; K395-F424 HydrophobicContact CD-CE2 3.97Å; K395-F424 HydrophobicContact CD-CZ 3.73Å; K395-F424 HydrophobicContact CG-CD1 3.86Å; K395-F424 HydrophobicContact CG-CD2 4.06Å; K395-F424 HydrophobicContact CG-CE1 3.84Å; K395-F424 HydrophobicContact CG-CE2 4.02Å; K395-F424 HydrophobicContact CG-CG 3.99Å; K395-F424 HydrophobicContact CG-CZ 3.92Å; H419-F424 HydrophobicContact CB-CE1 4.07Å; H419-F424 AromaticContact CD2-CE1 3.64Å; H419-F424 AromaticContact CD2-CZ 3.62Å; H419-F424 AromaticContact CG-CE1 3.95Å; F424-Q426 PolarHBondContact O-N 3.42Å
425	L	96.9	Very high	92.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	112.6	-178.2	-170.5	74.5	0	0	0	109	I362 W393 L394 V402 L405 V427 A522 K524	I362-L425 HydrophobicContact CG2-CD2 4.23Å; W393-L425 WeakPolarHBondContact CA-O 3.39Å; L394-L425 HydrophobicContact CB-CB 4.42Å; L394-L425 PolarHBondContact N-O 3.17Å; L394-L425 PolarHBondContact O-N 2.92Å; L394-L425 VanDerWaalsContact O-N 3.07Å; V402-L425 HydrophobicContact CG1-CB 4.25Å; V402-L425 HydrophobicContact CG1-CD2 4.25Å; L405-L425 HydrophobicContact CD2-CD1 4.34Å; L405-L425 HydrophobicContact CD2-CD2 3.89Å; L425-V427 HydrophobicContact CD2-CG2 4.34Å; L425-V427 HydrophobicContact CG-CG2 4.5Å; L425-V427 PolarHBondContact O-N 3.42Å; L425-A522 HydrophobicContact CD1-CB 3.91Å; L425-A522 HydrophobicContact CD2-CB 4.07Å; L425-A522 HydrophobicContact CG-CB 3.96Å; L425-K524 HydrophobicContact CD1-CB 4.3Å; L425-K524 HydrophobicContact CD1-CD 4.4Å
426	Q	96.4	Very high	92.6	Very high	9 Å²	9	27.9 Å²	27.9	4%	0.042	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.8	176.4	-179.3	-177.8	98.2	0	0	109	R387 A392 W393 F424 V428 A522 N523 W525	R387-Q426 VanDerWaalsContact NH2-OE1 3.1Å; A392-Q426 CarbonylContact O-C 3.48Å; A392-Q426 WeakPolarHBondContact O-CA 3.45Å; W393-Q426 HydrophobicContact CD2-CB 4.2Å; W393-Q426 HydrophobicContact CD2-CG 4.41Å; W393-Q426 HydrophobicContact CE3-CB 3.81Å; W393-Q426 HydrophobicContact CE3-CG 4.5Å; W393-Q426 HydrophobicContact CH2-CB 4.16Å; W393-Q426 HydrophobicContact CZ2-CB 4.45Å; W393-Q426 HydrophobicContact CZ2-CG 4.35Å; W393-Q426 HydrophobicContact CZ3-CB 3.8Å; F424-Q426 PolarHBondContact O-N 3.42Å; Q426-V428 HydrophobicContact CG-CG2 3.86Å; Q426-A522 CarbonylContact O-C 3.49Å; Q426-A522 VanDerWaalsContact O-CA 3.27Å; Q426-A522 WeakPolarHBondContact O-CA 3.41Å; Q426-N523 HydrophobicContact CB-CB 4.31Å; Q426-N523 PolarHBondContact N-O 3.46Å; Q426-N523 PolarHBondContact O-N 3.12Å; Q426-W525 HydrophobicContact CB-CZ3 4.09Å; Q426-W525 HydrophobicContact CG-CZ3 4.48Å; Q426-W525 VanDerWaalsContact OE1-CH2 3.27Å
427	V	96.8	Very high	92.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.2	173.9	-175.6	0	0	0	0	108.9	I362 A366 S391 A392 L394 L425 L466 W520 V521 A522	I362-V427 HydrophobicContact CG2-CG1 4.41Å; I362-V427 HydrophobicContact CG2-CG2 3.58Å; A366-V427 HydrophobicContact CB-CB 3.59Å; A366-V427 HydrophobicContact CB-CG1 3.52Å; A366-V427 HydrophobicContact CB-CG2 3.97Å; S391-V427 CarbonylContact C-O 3.53Å; S391-V427 WeakPolarHBondContact CA-O 3.22Å; A392-V427 PolarHBondContact N-O 3.48Å; A392-V427 PolarHBondContact O-N 2.86Å; L394-V427 HydrophobicContact CD1-CG2 3.77Å; L394-V427 HydrophobicContact CG-CG2 4.13Å; L425-V427 HydrophobicContact CD2-CG2 4.34Å; L425-V427 HydrophobicContact CG-CG2 4.5Å; L425-V427 PolarHBondContact O-N 3.42Å; V427-L466 HydrophobicContact CG1-CD1 3.85Å; V427-W520 HydrophobicContact CG1-CE3 3.78Å; V427-W520 HydrophobicContact CG1-CZ3 3.96Å; V427-V521 CarbonylContact C-O 3.55Å; V427-V521 WeakPolarHBondContact CA-O 3Å; V427-A522 HydrophobicContact CG2-CB 4.36Å
428	V	95.1	Very high	92.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.3	-174.1	-172.4	0	0	0	0	109.8	S389 K390 Q426 Y430 W520 V521	S389-V428 VanDerWaalsContact CB-CG1 3.5Å; K390-V428 CarbonylContact O-C 3.44Å; K390-V428 VanDerWaalsContact O-CA 3.28Å; K390-V428 WeakPolarHBondContact O-CA 3.36Å; K390-V428 WeakPolarHBondContact O-CG1 3.36Å; Q426-V428 HydrophobicContact CG-CG2 3.86Å; V428-Y430 HydrophobicContact CG1-CD2 4.43Å; V428-Y430 HydrophobicContact CG1-CE2 4Å; V428-W520 VanDerWaalsContact O-CA 3.3Å; V428-W520 WeakPolarHBondContact O-CA 3.32Å; V428-V521 HydrophobicContact CB-CG2 3.82Å; V428-V521 HydrophobicContact CG2-CG2 4.25Å; V428-V521 PolarHBondContact N-O 2.97Å; V428-V521 PolarHBondContact O-N 3.34Å
429	N	95.3	Very high	92.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136	168.4	179.7	-117.4	0	0	0	110.4	S29 L30 Q31 L370 S389 K390 D518 K519 W520	S29-N429 VanDerWaalsContact CA-OD1 3.25Å; S29-N429 WeakPolarHBondContact CA-OD1 3.5Å; S29-N429 VanDerWaalsContact CB-OD1 3.31Å; S29-N429 WeakPolarHBondContact CB-OD1 3.45Å; S29-N429 PolarHBondContact OG-OD1 3.45Å; L30-N429 PolarHBondContact N-OD1 3.45Å; L30-N429 VanDerWaalsContact N-OD1 3.1Å; Q31-N429 PolarHBondContact N-OD1 3.49Å; L370-N429 HydrophobicContact CD1-CB 4.46Å; S389-N429 CarbonylContact C-O 3.5Å; S389-N429 VanDerWaalsContact CA-O 3.28Å; S389-N429 WeakPolarHBondContact CA-O 3.42Å; S389-N429 VanDerWaalsContact CB-O 3.28Å; S389-N429 WeakPolarHBondContact CB-O 3.32Å; K390-N429 PolarHBondContact N-O 2.92Å; K390-N429 PolarHBondContact O-N 3.3Å; N429-D518 PolarHBondContact ND2-OD1 3.25Å; N429-K519 PolarHBondContact ND2-O 3.08Å; N429-W520 HydrophobicContact CB-CD2 3.8Å; N429-W520 HydrophobicContact CB-CE3 3.84Å; N429-W520 HydrophobicContact CB-CH2 4.02Å; N429-W520 HydrophobicContact CB-CZ2 3.94Å; N429-W520 HydrophobicContact CB-CZ3 3.95Å; N429-W520 VanDerWaalsContact ND2-CD1 3.34Å; N429-W520 PolarHBondContact ND2-NE1 3.41Å
430	Y	91.7	Very high	92.5	Very high	11 Å²	11	23.1 Å²	23.1	4%	0.043	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	146	180	-66.4	-94.5	0	0	0	111.4	L30 V428 V514 K519 V521	L30-Y430 PolarHBondContact N-O 3.16Å; L30-Y430 VanDerWaalsContact N-O 3.16Å; V428-Y430 HydrophobicContact CG1-CD2 4.43Å; V428-Y430 HydrophobicContact CG1-CE2 4Å; Y430-V514 HydrophobicContact CG-CG2 4.45Å; Y430-K519 HydrophobicContact CD2-CB 3.8Å; Y430-K519 HydrophobicContact CD2-CD 3.69Å; Y430-K519 HydrophobicContact CD2-CG 3.67Å; Y430-K519 WeakPolarHBondContact CD2-O 3.4Å; Y430-K519 HydrophobicContact CE2-CD 3.77Å; Y430-K519 HydrophobicContact CE2-CG 4Å; Y430-K519 HydrophobicContact CG-CB 4.34Å; Y430-K519 HydrophobicContact CG-CD 4.32Å; Y430-K519 PolarHBondContact N-O 2.84Å; Y430-K519 VanDerWaalsContact N-O 3.14Å; Y430-V521 HydrophobicContact CE2-CG2 3.94Å
431	G	88.1	Confident	92.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	10%	0.097	C	C	.	.			trans	-94.5	-160.3	179.4	0	0	0	0	0	114.6	Y27 T28 G433 G434	Y27-G431 CarbonylContact O-C 3.5Å; Y27-G431 WeakPolarHBondContact O-CA 3.29Å; T28-G431 WeakPolarHBondContact O-CA 3.33Å; T28-G431 PolarHBondContact O-N 2.76Å; T28-G431 VanDerWaalsContact O-N 3.1Å; G431-G433 PolarHBondContact O-N 3.1Å; G431-G434 WeakPolarHBondContact O-CA 3.43Å; G431-G434 PolarHBondContact O-N 3.12Å
432	I	88	Confident	92.8	Very high	50 Å²	50	17.6 Å²	17.6	26%	0.256	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	120.1	176.1	-59.2	173.2	0	0	0	109.3	Y27 L30 A136 G434	Y27-I432 PolarHBondContact O-N 2.97Å; L30-I432 HydrophobicContact CD2-CG1 4.1Å; A136-I432 HydrophobicContact CB-CD1 3.86Å; I432-G434 PolarHBondContact O-N 2.64Å; I432-G434 VanDerWaalsContact O-N 3.14Å
433	G	87.2	Confident	92.7	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	24	-170.3	0	0	0	0	0	112.7	R142 G431 H435	R142-G433 WeakPolarHBondContact CD-O 3.34Å; R142-G433 PolarHBondContact NH1-O 3.44Å; G431-G433 PolarHBondContact O-N 3.1Å; G433-H435 PolarHBondContact O-N 3.02Å
434	G	88.6	Confident	92.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.			trans	-60.1	128.8	-175.1	0	0	0	0	0	111.1	I388 G431 I432 P513 V514	I388-G434 VanDerWaalsContact O-CA 3.26Å; I388-G434 WeakPolarHBondContact O-CA 3.43Å; G431-G434 WeakPolarHBondContact O-CA 3.43Å; G431-G434 PolarHBondContact O-N 3.12Å; I432-G434 PolarHBondContact O-N 2.64Å; I432-G434 VanDerWaalsContact O-N 3.14Å; G434-P513 VanDerWaalsContact O-CA 3.3Å; G434-P513 WeakPolarHBondContact O-CA 3.15Å; G434-V514 PolarHBondContact O-N 3.27Å
435	H	90.6	Very high	92.2	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.028	12%	0.117	C	C	.	.			trans	-150.6	174	-173.2	80.5	-64.9	0	0	0	110.5	R142 D385 I388 G433 E437 G511 P513	R142-H435 WeakPolarHBondContact CD-ND1 3.27Å; R142-H435 PolarHBondContact NE-CE1 2.87Å; R142-H435 PolarHBondContact NE-ND1 3.13Å; R142-H435 PolarHBondContact NH1-ND1 2.74Å; R142-H435 PolarHBondContact NH2-CE1 2.86Å; D385-H435 PolarHBondContact O-CE1 3.21Å; I388-H435 PolarHBondContact N-O 3.37Å; G433-H435 PolarHBondContact O-N 3.02Å; H435-E437 WeakPolarHBondContact NE2-CG 3.43Å; H435-G511 WeakPolarHBondContact CA-O 3.26Å; H435-G511 WeakPolarHBondContact CB-O 3.48Å; H435-P513 HydrophobicContact CB-CB 4.1Å; H435-P513 HydrophobicContact CB-CG 3.89Å
436	Y	89.9	Confident	91.6	Very high	21 Å²	21	27 Å²	27	8%	0.082	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	117.7	168.5	-160.3	135	0	0	0	107.6	V375 R387 H439 A510 G511	V375-Y436 HydrophobicContact CG2-CE1 4.32Å; V375-Y436 HydrophobicContact CG2-CE2 4.39Å; V375-Y436 WeakPolarHBondContact CG2-OH 3.32Å; R387-Y436 HydrophobicContact CB-CD1 4.36Å; R387-Y436 HydrophobicContact CB-CG 4.44Å; R387-Y436 HydrophobicContact CG-CD1 3.55Å; R387-Y436 HydrophobicContact CG-CE1 3.96Å; R387-Y436 HydrophobicContact CG-CG 4Å; R387-Y436 VanDerWaalsContact NE-CD1 3.29Å; R387-Y436 VanDerWaalsContact NE-CE1 3.27Å; R387-Y436 VanDerWaalsContact NH1-CE1 3.31Å; Y436-H439 AromaticContact CD2-CE1 3.2Å; Y436-H439 WeakPolarHBondContact CD2-CE1 3.27Å; Y436-H439 AromaticContact CD2-CG 3.77Å; Y436-H439 AromaticContact CD2-ND1 3.1Å; Y436-H439 WeakPolarHBondContact CD2-ND1 3.44Å; Y436-H439 AromaticContact CD2-NE2 3.85Å; Y436-H439 AromaticContact CE1-NE2 3.91Å; Y436-H439 HydrophobicContact CE2-CB 3.84Å; Y436-H439 AromaticContact CE2-CD2 3.46Å; Y436-H439 VanDerWaalsContact CE2-CD2 3.46Å; Y436-H439 WeakPolarHBondContact CE2-CD2 3.42Å; Y436-H439 AromaticContact CE2-CE1 3.26Å; Y436-H439 WeakPolarHBondContact CE2-CE1 3.25Å; Y436-H439 AromaticContact CE2-CG 3.2Å; Y436-H439 AromaticContact CE2-ND1 3.07Å; Y436-H439 WeakPolarHBondContact CE2-ND1 3.27Å; Y436-H439 AromaticContact CE2-NE2 3.45Å; Y436-H439 WeakPolarHBondContact CE2-NE2 3.32Å; Y436-H439 AromaticContact CG-CE1 3.65Å; Y436-H439 AromaticContact CG-ND1 3.99Å; Y436-H439 AromaticContact CZ-CD2 3.61Å; Y436-H439 AromaticContact CZ-CE1 3.71Å; Y436-H439 AromaticContact CZ-CG 3.86Å; Y436-H439 AromaticContact CZ-ND1 3.92Å; Y436-H439 AromaticContact CZ-NE2 3.45Å; Y436-A510 CarbonylContact O-C 3.49Å; Y436-A510 WeakPolarHBondContact O-CA 3.33Å; Y436-A510 WeakPolarHBondContact O-CB 3.49Å; Y436-G511 PolarHBondContact N-O 3.47Å; Y436-G511 PolarHBondContact O-N 2.78Å
437	E	88.9	Confident	91.2	Very high	49 Å²	49	32.6 Å²	32.6	23%	0.229	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	159	178.3	-72.5	-172.5	179.7	0	0	113.4	L293 Y386 H435 H439	L293-E437 HydrophobicContact CD1-CB 4.14Å; L293-E437 HydrophobicContact CD1-CG 3.69Å; L293-E437 WeakPolarHBondContact CD1-OE2 3.48Å; Y386-E437 WeakPolarHBondContact CB-OE2 3.22Å; Y386-E437 WeakPolarHBondContact O-CG 3.49Å; Y386-E437 PolarHBondContact O-N 2.94Å; H435-E437 WeakPolarHBondContact NE2-CG 3.43Å; E437-H439 PolarHBondContact O-N 3.2Å; E437-H439 PolarHBondContact O-ND1 2.96Å
438	P	92.5	Very high	90.7	Very high	24 Å²	24	33.8 Å²	33.8	16%	0.156	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-44.7	121.9	173	-32.9	36.1	0	0	0	114.3	L293 Y299 I478 L508 H509 A510	L293-P438 HydrophobicContact CD2-CB 4.07Å; L293-P438 HydrophobicContact CD2-CG 3.53Å; Y299-P438 HydrophobicContact CD2-CG 4.31Å; Y299-P438 HydrophobicContact CG-CG 4.28Å; P438-I478 HydrophobicContact CB-CG1 4.09Å; P438-I478 HydrophobicContact CG-CD1 4.15Å; P438-I478 HydrophobicContact CG-CG1 4.05Å; P438-L508 HydrophobicContact CB-CD1 4.27Å; P438-L508 HydrophobicContact CB-CD2 4.37Å; P438-L508 HydrophobicContact CB-CG 4.24Å; P438-H509 CarbonylContact C-O 3.5Å; P438-H509 WeakPolarHBondContact CA-O 3.43Å; P438-A510 HydrophobicContact CB-CB 4.46Å; P438-A510 HydrophobicContact CG-CB 3.91Å
439	H	93.1	Very high	90.1	Very high	31 Å²	31	35.8 Å²	35.8	14%	0.144	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	165.7	-178.7	64.8	-70.3	0	0	0	112.1	Y436 E437 D441 H509	Y436-H439 AromaticContact CD2-CE1 3.2Å; Y436-H439 WeakPolarHBondContact CD2-CE1 3.27Å; Y436-H439 AromaticContact CD2-CG 3.77Å; Y436-H439 AromaticContact CD2-ND1 3.1Å; Y436-H439 WeakPolarHBondContact CD2-ND1 3.44Å; Y436-H439 AromaticContact CD2-NE2 3.85Å; Y436-H439 AromaticContact CE1-NE2 3.91Å; Y436-H439 HydrophobicContact CE2-CB 3.84Å; Y436-H439 AromaticContact CE2-CD2 3.46Å; Y436-H439 VanDerWaalsContact CE2-CD2 3.46Å; Y436-H439 WeakPolarHBondContact CE2-CD2 3.42Å; Y436-H439 AromaticContact CE2-CE1 3.26Å; Y436-H439 WeakPolarHBondContact CE2-CE1 3.25Å; Y436-H439 AromaticContact CE2-CG 3.2Å; Y436-H439 AromaticContact CE2-ND1 3.07Å; Y436-H439 WeakPolarHBondContact CE2-ND1 3.27Å; Y436-H439 AromaticContact CE2-NE2 3.45Å; Y436-H439 WeakPolarHBondContact CE2-NE2 3.32Å; Y436-H439 AromaticContact CG-CE1 3.65Å; Y436-H439 AromaticContact CG-ND1 3.99Å; Y436-H439 AromaticContact CZ-CD2 3.61Å; Y436-H439 AromaticContact CZ-CE1 3.71Å; Y436-H439 AromaticContact CZ-CG 3.86Å; Y436-H439 AromaticContact CZ-ND1 3.92Å; Y436-H439 AromaticContact CZ-NE2 3.45Å; E437-H439 PolarHBondContact O-N 3.2Å; E437-H439 PolarHBondContact O-ND1 2.96Å; H439-D441 IonicContact CD2-OD1 3.5Å; H439-D441 IonicContact NE2-OD1 3.32Å; H439-H509 AromaticContact CE1-CD2 3.9Å; H439-H509 AromaticContact CE1-NE2 3.6Å; H439-H509 PolarHBondContact N-O 2.63Å; H439-H509 PolarHBondContact ND1-O 2.75Å; H439-H509 VanDerWaalsContact ND1-O 3.07Å; H439-H509 AromaticContact NE2-CE1 3.89Å; H439-H509 AromaticContact NE2-NE2 3.43Å; H439-H509 PolarHBondContact NE2-NE2 3.14Å; H439-H509 PolarHBondContact O-N 3.18Å; H439-H509 PolarHBondContact O-ND1 2.66Å
440	F	94.8	Very high	89.7	Confident	55 Å²	55	36.8 Å²	36.8	24%	0.241	22%	0.216	C	C	.	.			trans	-101.7	143.2	166.9	-65.6	-70.3	0	0	0	109.8	H442 T444 E505 L508	F440-H442 AromaticContact CD1-CE1 3.28Å; F440-H442 WeakPolarHBondContact CD1-CE1 3.29Å; F440-H442 AromaticContact CD1-ND1 3.97Å; F440-H442 AromaticContact CD1-NE2 3.94Å; F440-H442 AromaticContact CE1-CE1 3.9Å; F440-H442 AromaticContact CG-CE1 3.63Å; F440-H442 AromaticContact CG-NE2 3.88Å; F440-T444 HydrophobicContact CB-CG2 4.15Å; F440-T444 HydrophobicContact CD2-CG2 3.61Å; F440-T444 HydrophobicContact CE2-CG2 4.33Å; F440-T444 HydrophobicContact CG-CG2 4.13Å; F440-E505 WeakPolarHBondContact CE1-O 3.39Å; F440-L508 HydrophobicContact CD1-CB 4.27Å; F440-L508 HydrophobicContact CD1-CD1 4.4Å; F440-L508 HydrophobicContact CD2-CD1 3.99Å; F440-L508 HydrophobicContact CE1-CB 3.58Å; F440-L508 HydrophobicContact CE1-CD1 4.16Å; F440-L508 HydrophobicContact CE1-CG 4.48Å; F440-L508 HydrophobicContact CE2-CB 4.48Å; F440-L508 HydrophobicContact CE2-CD1 3.74Å; F440-L508 HydrophobicContact CG-CD1 4.34Å; F440-L508 HydrophobicContact CZ-CB 3.71Å; F440-L508 HydrophobicContact CZ-CD1 3.84Å; F440-L508 HydrophobicContact CZ-CG 4.29Å
441	D	95.4	Very high	89.4	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.037	23%	0.228	C	C	.	.	S	Bend	trans	-79.9	-31	169.5	-89	-22.3	0	0	0	112	H439 R458 T461 H509 W525	H439-D441 IonicContact CD2-OD1 3.5Å; H439-D441 IonicContact NE2-OD1 3.32Å; D441-R458 WeakPolarHBondContact O-CD 3.45Å; D441-R458 PolarHBondContact O-NH1 3.32Å; D441-T461 WeakPolarHBondContact OD2-CB 3.25Å; D441-T461 VanDerWaalsContact OD2-CG2 3.32Å; D441-T461 WeakPolarHBondContact OD2-CG2 3.25Å; D441-T461 PolarHBondContact OD2-OG1 3.12Å; D441-H509 IonicContact OD1-CE1 3.88Å; D441-H509 IonicContact OD2-CE1 2.6Å; D441-H509 IonicContact OD2-NE2 3.42Å; D441-W525 PolarHBondContact OD1-NE1 3.03Å; D441-W525 VanDerWaalsContact OD1-NE1 3.12Å; D441-W525 PolarHBondContact OD2-NE1 3.19Å
442	H	94.6	Very high	89.1	Confident	16 Å²	16	47.5 Å²	47.5	7%	0.074	26%	0.262	C	S	.	.	S	Bend	trans	-74.6	151.7	172.3	66.8	-98.7	0	0	0	111.4	F440 T444 N457 N496 L497 G503	F440-H442 AromaticContact CD1-CE1 3.28Å; F440-H442 WeakPolarHBondContact CD1-CE1 3.29Å; F440-H442 AromaticContact CD1-ND1 3.97Å; F440-H442 AromaticContact CD1-NE2 3.94Å; F440-H442 AromaticContact CE1-CE1 3.9Å; F440-H442 AromaticContact CG-CE1 3.63Å; F440-H442 AromaticContact CG-NE2 3.88Å; H442-T444 PolarHBondContact O-N 2.89Å; H442-N457 WeakPolarHBondContact CA-OD1 3.3Å; H442-N496 HydrophobicContact CB-CB 4.06Å; H442-N496 PolarHBondContact ND1-O 3.23Å; H442-L497 HydrophobicContact CB-CD2 3.66Å; H442-G503 WeakPolarHBondContact NE2-CA 3.4Å
443	A	92.3	Very high	88.6	Confident	12 Å²	12	49 Å²	49	10%	0.099	27%	0.271	C	S	.	.			trans	-67.8	126.5	172.4	0	0	0	0	0	111.1	S448 V450 F451 N457	A443-S448 VanDerWaalsContact CB-CB 3.42Å; A443-S448 WeakPolarHBondContact CB-OG 3.34Å; A443-V450 HydrophobicContact CB-CB 4.26Å; A443-F451 HydrophobicContact CB-CD2 4.3Å; A443-F451 HydrophobicContact CB-CE2 3.5Å; A443-F451 VanDerWaalsContact CB-CE2 3.5Å; A443-F451 HydrophobicContact CB-CZ 3.67Å; A443-N457 WeakPolarHBondContact CB-OD1 3.46Å; A443-N457 PolarHBondContact N-ND2 3.46Å; A443-N457 PolarHBondContact N-OD1 2.9Å; A443-N457 PolarHBondContact O-ND2 3.47Å; A443-N457 VanDerWaalsContact O-ND2 3.11Å
444	T	90.6	Very high	88.6	Confident	108 Å²	108	59.2 Å²	59.2	66%	0.663	31%	0.309	S	S	*	.	S	Bend	trans	-98.1	-3.5	175	55.4	0	0	0	0	113.4	F440 H442	F440-T444 HydrophobicContact CB-CG2 4.15Å; F440-T444 HydrophobicContact CD2-CG2 3.61Å; F440-T444 HydrophobicContact CE2-CG2 4.33Å; F440-T444 HydrophobicContact CG-CG2 4.13Å; H442-T444 PolarHBondContact O-N 2.89Å
445	S	89.3	Confident	88.7	Confident	47 Å²	47	59.5 Å²	59.5	33%	0.329	31%	0.31	S	S	.	.	S	Bend	trans	-132.6	139.5	178.5	172.9	0	0	0	0	111.1	T447 S448 F451	S445-T447 PolarHBondContact O-N 2.79Å; S445-T447 VanDerWaalsContact O-N 3.13Å; S445-T447 PolarHBondContact OG-N 3.2Å; S445-T447 PolarHBondContact OG-OG1 3.14Å; S445-S448 WeakPolarHBondContact O-CB 3.45Å; S445-S448 PolarHBondContact O-N 3.15Å; S445-F451 WeakPolarHBondContact O-CE2 3.45Å
446	P	85.3	Confident	88.7	Confident	119 Å²	119	59.6 Å²	59.6	77%	0.773	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.1	174.8	-23.7	33.7	0	0	0	114.5	S448	P446-S448 VanDerWaalsContact C-N 3.28Å
447	T	87.1	Confident	89	Confident	125 Å²	125	59.2 Å²	59.2	77%	0.767	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	4.4	178.3	57.8	0	0	0	0	113.3	S445	S445-T447 PolarHBondContact O-N 2.79Å; S445-T447 VanDerWaalsContact O-N 3.13Å; S445-T447 PolarHBondContact OG-N 3.2Å; S445-T447 PolarHBondContact OG-OG1 3.14Å
448	S	86.2	Confident	89.3	Confident	25 Å²	25	58.5 Å²	58.5	18%	0.175	31%	0.307	C	S	.	.			trans	-57.6	135.5	-179	178.2	0	0	0	0	111.9	A443 S445 P446 V450 F451	A443-S448 VanDerWaalsContact CB-CB 3.42Å; A443-S448 WeakPolarHBondContact CB-OG 3.34Å; S445-S448 WeakPolarHBondContact O-CB 3.45Å; S445-S448 PolarHBondContact O-N 3.15Å; P446-S448 VanDerWaalsContact C-N 3.28Å; S448-V450 PolarHBondContact O-N 2.97Å; S448-V450 VanDerWaalsContact O-N 3.08Å; S448-V450 PolarHBondContact OG-N 3.19Å; S448-F451 PolarHBondContact O-N 3.2Å; S448-F451 VanDerWaalsContact O-N 3.11Å
449	P	83.7	Confident	89.5	Confident	43 Å²	43	57.8 Å²	57.8	28%	0.279	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-58.5	-20.2	175.3	-30.3	41.3	0	0	0	114.6	A376 F451 K452	A376-P449 HydrophobicContact CB-CB 3.86Å; A376-P449 HydrophobicContact CB-CG 3.62Å; P449-F451 PolarHBondContact O-N 3.4Å; P449-K452 HydrophobicContact CB-CD 4.31Å; P449-K452 VanDerWaalsContact O-CB 3.26Å; P449-K452 WeakPolarHBondContact O-CB 3.33Å; P449-K452 WeakPolarHBondContact O-CG 3.15Å; P449-K452 PolarHBondContact O-N 3.43Å
450	V	85.1	Confident	89.7	Confident	20 Å²	20	56.3 Å²	56.3	12%	0.121	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-53.3	-37.9	173.8	173.9	0	0	0	0	111.3	A443 S448 K452 R458	A443-V450 HydrophobicContact CB-CB 4.26Å; S448-V450 PolarHBondContact O-N 2.97Å; S448-V450 VanDerWaalsContact O-N 3.08Å; S448-V450 PolarHBondContact OG-N 3.19Å; V450-K452 PolarHBondContact O-N 3.49Å; V450-R458 HydrophobicContact CG1-CG 4.02Å
451	F	85.7	Confident	89.9	Confident	69 Å²	69	53.7 Å²	53.7	30%	0.303	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-74.3	-7.5	-178.5	-62.4	-60.2	0	0	0	114.3	A443 S445 S448 P449 L453 R454 N457	A443-F451 HydrophobicContact CB-CD2 4.3Å; A443-F451 HydrophobicContact CB-CE2 3.5Å; A443-F451 VanDerWaalsContact CB-CE2 3.5Å; A443-F451 HydrophobicContact CB-CZ 3.67Å; S445-F451 WeakPolarHBondContact O-CE2 3.45Å; S448-F451 PolarHBondContact O-N 3.2Å; S448-F451 VanDerWaalsContact O-N 3.11Å; P449-F451 PolarHBondContact O-N 3.4Å; F451-L453 PolarHBondContact O-N 3.25Å; F451-R454 PolarHBondContact O-N 3.43Å; F451-N457 HydrophobicContact CE1-CB 3.89Å; F451-N457 HydrophobicContact CZ-CB 4.22Å
452	K	82.1	Confident	90	Very high	168 Å²	168	53.4 Å²	53.4	73%	0.73	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-63	-28.5	177.7	-69.7	179.5	-180	-179.8	0	112.7	P449 V450 R454	P449-K452 HydrophobicContact CB-CD 4.31Å; P449-K452 VanDerWaalsContact O-CB 3.26Å; P449-K452 WeakPolarHBondContact O-CB 3.33Å; P449-K452 WeakPolarHBondContact O-CG 3.15Å; P449-K452 PolarHBondContact O-N 3.43Å; V450-K452 PolarHBondContact O-N 3.49Å; K452-R454 PolarHBondContact O-N 2.92Å
453	L	76.8	Confident	90.2	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.435	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-72.2	-13.6	176.6	-67.3	176.2	0	0	0	113.1	E423 F451 T455	E423-L453 HydrophobicContact CG-CD1 4.4Å; F451-L453 PolarHBondContact O-N 3.25Å; L453-T455 HydrophobicContact CB-CG2 4.24Å; L453-T455 WeakPolarHBondContact CB-OG1 3.43Å; L453-T455 PolarHBondContact O-N 3.32Å
454	R	87.5	Confident	90.5	Very high	216 Å²	216	52.5 Å²	52.5	82%	0.815	28%	0.276	S	S	*	.	S	Bend	trans	54.7	31.3	-175.5	-56.1	-175.9	176.8	-171	-1.4	113.4	F451 K452 Y529	F451-R454 PolarHBondContact O-N 3.43Å; K452-R454 PolarHBondContact O-N 2.92Å; R454-Y529 VanDerWaalsContact O-CD2 3.26Å; R454-Y529 WeakPolarHBondContact O-CD2 3.49Å; R454-Y529 VanDerWaalsContact O-CE2 3.29Å; R454-Y529 WeakPolarHBondContact O-CE2 3.36Å
455	T	90.4	Very high	90.8	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.037	24%	0.244	C	C	.	.	S	Bend	trans	-107.1	10.2	-179.1	46.7	0	0	0	0	112.7	P420 L453 H527 Y529	P420-T455 HydrophobicContact CB-CG2 3.87Å; P420-T455 HydrophobicContact CG-CG2 4.22Å; P420-T455 VanDerWaalsContact O-CG2 3.24Å; P420-T455 WeakPolarHBondContact O-CG2 3.29Å; L453-T455 HydrophobicContact CB-CG2 4.24Å; L453-T455 WeakPolarHBondContact CB-OG1 3.43Å; L453-T455 PolarHBondContact O-N 3.32Å; T455-H527 WeakPolarHBondContact O-CB 3.41Å; T455-H527 PolarHBondContact OG1-CE1 3.43Å; T455-H527 PolarHBondContact OG1-ND1 3.05Å; T455-Y529 VanDerWaalsContact C-CG 3.46Å; T455-Y529 VanDerWaalsContact O-CB 3.28Å; T455-Y529 WeakPolarHBondContact O-CB 3.3Å; T455-Y529 VanDerWaalsContact O-CG 3.29Å; T455-Y529 PolarHBondContact O-N 3.33Å
456	G	92.3	Very high	91.2	Very high	7 Å²	7	45.2 Å²	45.2	7%	0.072	23%	0.229	C	C	.	.			trans	79.2	-169.8	-172	0	0	0	0	0	112.4	H527	G456-H527 PolarHBondContact O-ND1 3.43Å; G456-H527 VanDerWaalsContact O-ND1 3.16Å
457	N	94.8	Very high	91.6	Very high	14 Å²	14	40 Å²	40	8%	0.075	20%	0.195	C	C	.	.	S	Bend	trans	-79	168.1	-179.6	-155.1	-13.7	0	0	0	111	H442 A443 F451 M459 L497 H527 E528	H442-N457 WeakPolarHBondContact CA-OD1 3.3Å; A443-N457 WeakPolarHBondContact CB-OD1 3.46Å; A443-N457 PolarHBondContact N-ND2 3.46Å; A443-N457 PolarHBondContact N-OD1 2.9Å; A443-N457 PolarHBondContact O-ND2 3.47Å; A443-N457 VanDerWaalsContact O-ND2 3.11Å; F451-N457 HydrophobicContact CE1-CB 3.89Å; F451-N457 HydrophobicContact CZ-CB 4.22Å; N457-M459 PolarHBondContact O-N 3.06Å; N457-L497 HydrophobicContact CB-CD1 3.99Å; N457-H527 CarbonylContact O-C 3.56Å; N457-H527 VanDerWaalsContact O-CA 3.26Å; N457-H527 WeakPolarHBondContact O-CA 3.45Å; N457-E528 VanDerWaalsContact CB-OE2 3.27Å; N457-E528 WeakPolarHBondContact CB-OE2 3.35Å; N457-E528 PolarHBondContact N-OE2 3.19Å; N457-E528 PolarHBondContact O-N 3.11Å
458	R	95.9	Very high	91.6	Very high	33 Å²	33	37.1 Å²	37.1	13%	0.125	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	106.8	174.3	-69.9	162.9	167	-167.8	-6	108.5	E423 D441 V450 N496 W525 I526	E423-R458 IonicContact OE1-CZ 3.29Å; E423-R458 IonicContact OE1-NE 2.73Å; E423-R458 PolarHBondContact OE1-NE 3.41Å; E423-R458 IonicContact OE1-NH2 2.68Å; E423-R458 PolarHBondContact OE1-NH2 3.49Å; E423-R458 IonicContact OE2-CZ 3.23Å; E423-R458 IonicContact OE2-NH2 3.3Å; E423-R458 PolarHBondContact OE2-NH2 3.04Å; D441-R458 WeakPolarHBondContact O-CD 3.45Å; D441-R458 PolarHBondContact O-NH1 3.32Å; V450-R458 HydrophobicContact CG1-CG 4.02Å; R458-N496 VanDerWaalsContact O-CB 3.28Å; R458-N496 WeakPolarHBondContact O-CB 3.37Å; R458-W525 HydrophobicContact CG-CB 4.03Å; R458-W525 HydrophobicContact CG-CG 4.45Å; R458-W525 VanDerWaalsContact CZ-CD2 3.48Å; R458-I526 CarbonylContact C-O 3.58Å; R458-I526 WeakPolarHBondContact CA-O 3.32Å
459	M	96	Very high	91.9	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.049	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-27.4	-175.8	72.5	148.1	60.7	0	0	114.2	L415 N457 W495 N496 L497 I526 E528 Q531 R535	L415-M459 HydrophobicContact CD1-SD 4.33Å; L415-M459 HydrophobicContact CD2-SD 4.16Å; N457-M459 PolarHBondContact O-N 3.06Å; M459-W495 HydrophobicContact SD-CE3 4.46Å; M459-W495 HydrophobicContact SD-CZ3 3.77Å; M459-N496 PolarHBondContact O-N 3.02Å; M459-L497 HydrophobicContact CB-CD1 3.95Å; M459-L497 HydrophobicContact CB-CG 4.46Å; M459-L497 PolarHBondContact O-N 3.05Å; M459-I526 HydrophobicContact CG-CG2 4.39Å; M459-I526 WeakPolarHBondContact CG-O 3.24Å; M459-I526 PolarHBondContact N-O 2.94Å; M459-E528 HydrophobicContact CB-CG 3.98Å; M459-E528 VanDerWaalsContact CE-CA 3.47Å; M459-E528 HydrophobicContact CE-CB 4.38Å; M459-E528 HydrophobicContact CE-CG 4.38Å; M459-Q531 HydrophobicContact CE-CB 3.47Å; M459-Q531 VanDerWaalsContact CE-CB 3.47Å; M459-Q531 HydrophobicContact CE-CG 3.45Å; M459-Q531 VanDerWaalsContact CE-CG 3.45Å; M459-Q531 HydrophobicContact SD-CB 4.23Å; M459-Q531 HydrophobicContact SD-CG 3.88Å; M459-R535 PolarHBondContact O-NH1 3.12Å
460	A	97.8	Very high	92.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.8	-175	0	0	0	0	0	111.2	L415 F493 W494 W495 N496 I526	L415-A460 HydrophobicContact CD1-CB 4.3Å; A460-F493 HydrophobicContact CB-CE2 3.69Å; A460-F493 HydrophobicContact CB-CZ 4.06Å; A460-W494 WeakPolarHBondContact CA-O 3.49Å; A460-W495 HydrophobicContact CB-CD2 4.47Å; A460-W495 HydrophobicContact CB-CE3 3.57Å; A460-W495 HydrophobicContact CB-CZ3 3.79Å; A460-N496 VanDerWaalsContact C-ND2 3.26Å; A460-I526 HydrophobicContact CB-CB 4.42Å; A460-I526 PolarHBondContact N-O 3.04Å; A460-I526 PolarHBondContact O-N 3.41Å
461	T	98.4	Very high	92.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.7	173.4	-60.7	0	0	0	0	109.4	D441 F493 W494 N496 W525	D441-T461 WeakPolarHBondContact OD2-CB 3.25Å; D441-T461 VanDerWaalsContact OD2-CG2 3.32Å; D441-T461 WeakPolarHBondContact OD2-CG2 3.25Å; D441-T461 PolarHBondContact OD2-OG1 3.12Å; T461-F493 WeakPolarHBondContact O-CA 3.45Å; T461-F493 WeakPolarHBondContact O-CD2 3.5Å; T461-W494 HydrophobicContact CG2-CH2 3.39Å; T461-W494 HydrophobicContact CG2-CZ2 3.39Å; T461-W494 HydrophobicContact CG2-CZ3 4.03Å; T461-W494 PolarHBondContact N-O 3Å; T461-W494 PolarHBondContact O-N 3.31Å; T461-W494 VanDerWaalsContact O-N 3.16Å; T461-N496 PolarHBondContact N-ND2 3.43Å; T461-N496 PolarHBondContact OG1-ND2 2.87Å; T461-W525 VanDerWaalsContact OG1-CD1 3.29Å
462	F	98.6	Very high	92.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108	171.1	-164.3	-78.8	0	0	0	107.9	Y350 F353 I409 T413 I464 A491 F493 K524	Y350-F462 AromaticContact CD2-CE2 3.87Å; Y350-F462 HydrophobicContact CD2-CE2 3.87Å; Y350-F462 HydrophobicContact CD2-CZ 4.13Å; Y350-F462 AromaticContact CE2-CE2 3.94Å; Y350-F462 HydrophobicContact CE2-CE2 3.94Å; F353-F462 AromaticContact CD1-CE1 3.88Å; F353-F462 HydrophobicContact CD1-CE1 3.88Å; F353-F462 HydrophobicContact CD1-CZ 4.12Å; F353-F462 HydrophobicContact CD2-CZ 4.11Å; F353-F462 AromaticContact CE1-CE1 3.42Å; F353-F462 HydrophobicContact CE1-CE1 3.42Å; F353-F462 VanDerWaalsContact CE1-CE1 3.42Å; F353-F462 AromaticContact CE1-CZ 3.73Å; F353-F462 HydrophobicContact CE1-CZ 3.73Å; F353-F462 HydrophobicContact CE2-CE1 4.27Å; F353-F462 AromaticContact CE2-CZ 3.7Å; F353-F462 HydrophobicContact CE2-CZ 3.7Å; F353-F462 HydrophobicContact CG-CE1 4.5Å; F353-F462 HydrophobicContact CG-CZ 4.32Å; F353-F462 AromaticContact CZ-CE1 3.65Å; F353-F462 HydrophobicContact CZ-CE1 3.65Å; F353-F462 AromaticContact CZ-CZ 3.51Å; F353-F462 HydrophobicContact CZ-CZ 3.51Å; I409-F462 HydrophobicContact CD1-CD1 3.95Å; I409-F462 HydrophobicContact CD1-CE1 4.25Å; I409-F462 HydrophobicContact CG1-CD1 3.87Å; I409-F462 HydrophobicContact CG1-CE1 3.77Å; I409-F462 HydrophobicContact CG1-CG 4.44Å; I409-F462 HydrophobicContact CG1-CZ 4.27Å; I409-F462 HydrophobicContact CG2-CB 4.26Å; I409-F462 HydrophobicContact CG2-CD1 4.15Å; I409-F462 HydrophobicContact CG2-CD2 3.97Å; I409-F462 HydrophobicContact CG2-CE2 4.36Å; I409-F462 HydrophobicContact CG2-CG 3.86Å; T413-F462 HydrophobicContact CG2-CD2 3.64Å; T413-F462 HydrophobicContact CG2-CE2 3.94Å; F462-I464 HydrophobicContact CD1-CD1 4.38Å; F462-I464 HydrophobicContact CD1-CG1 3.96Å; F462-I464 HydrophobicContact CE1-CD1 4.23Å; F462-I464 HydrophobicContact CE1-CG1 3.78Å; F462-A491 HydrophobicContact CD1-CB 4.13Å; F462-A491 HydrophobicContact CE1-CB 3.29Å; F462-A491 HydrophobicContact CZ-CB 3.52Å; F462-F493 HydrophobicContact CB-CD2 4.27Å; F462-F493 HydrophobicContact CD2-CB 3.98Å; F462-F493 AromaticContact CD2-CD2 3.73Å; F462-F493 HydrophobicContact CD2-CD2 3.73Å; F462-F493 HydrophobicContact CD2-CG 4.2Å; F462-F493 HydrophobicContact CE2-CB 4.33Å; F462-F493 HydrophobicContact CG-CD2 4.47Å; F462-K524 HydrophobicContact CB-CB 4.34Å; F462-K524 PolarHBondContact N-O 2.97Å; F462-K524 PolarHBondContact O-N 2.9Å
463	M	98.3	Very high	93.6	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.049	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.2	-176.8	177.6	176.5	67.4	0	0	110.6	Y465 T475 A491 I492 W494 V521 A522 N523	M463-Y465 HydrophobicContact CE-CE1 3.8Å; M463-T475 WeakPolarHBondContact CE-OG1 3.26Å; M463-A491 CarbonylContact O-C 3.57Å; M463-A491 WeakPolarHBondContact O-CA 3.22Å; M463-I492 HydrophobicContact CB-CG2 3.89Å; M463-I492 HydrophobicContact CE-CG2 3.5Å; M463-I492 VanDerWaalsContact CE-CG2 3.5Å; M463-I492 HydrophobicContact CG-CG2 4.44Å; M463-I492 PolarHBondContact N-O 3.45Å; M463-I492 PolarHBondContact O-N 3.46Å; M463-W494 HydrophobicContact CB-CH2 4.43Å; M463-W494 HydrophobicContact CB-CZ3 4.35Å; M463-V521 HydrophobicContact CG-CB 3.96Å; M463-V521 HydrophobicContact CG-CG1 4.36Å; M463-V521 HydrophobicContact CG-CG2 4.48Å; M463-V521 HydrophobicContact SD-CB 3.96Å; M463-V521 HydrophobicContact SD-CG1 4.01Å; M463-V521 HydrophobicContact SD-CG2 4.08Å; M463-A522 CarbonylContact C-O 3.55Å; M463-A522 WeakPolarHBondContact CA-O 3.5Å; M463-N523 VanDerWaalsContact CB-OD1 3.25Å; M463-N523 WeakPolarHBondContact CB-OD1 3.41Å; M463-N523 WeakPolarHBondContact CG-OD1 3.47Å; M463-N523 PolarHBondContact SD-OD1 3.06Å; M463-N523 VanDerWaalsContact SD-OD1 3.36Å
464	I	98.4	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.2	-177.4	-53	159.8	0	0	0	109.5	F353 I354 L405 I409 F462 L466 A491 V521 A522	F353-I464 HydrophobicContact CD1-CD1 4.24Å; F353-I464 HydrophobicContact CD1-CG1 4.14Å; F353-I464 HydrophobicContact CE1-CD1 3.98Å; F353-I464 HydrophobicContact CE1-CG1 4.25Å; I354-I464 HydrophobicContact CD1-CG2 3.65Å; I354-I464 HydrophobicContact CG1-CG2 3.98Å; I354-I464 HydrophobicContact CG2-CG2 4.04Å; L405-I464 HydrophobicContact CD1-CD1 3.89Å; L405-I464 HydrophobicContact CD2-CD1 3.67Å; L405-I464 HydrophobicContact CG-CD1 4.08Å; I409-I464 HydrophobicContact CD1-CD1 4.35Å; F462-I464 HydrophobicContact CD1-CD1 4.38Å; F462-I464 HydrophobicContact CD1-CG1 3.96Å; F462-I464 HydrophobicContact CE1-CD1 4.23Å; F462-I464 HydrophobicContact CE1-CG1 3.78Å; I464-L466 HydrophobicContact CG2-CD2 4.08Å; I464-A491 HydrophobicContact CB-CB 4.36Å; I464-A491 HydrophobicContact CG1-CB 3.82Å; I464-V521 CarbonylContact O-C 3.55Å; I464-V521 WeakPolarHBondContact O-CA 3.17Å; I464-A522 HydrophobicContact CB-CB 4.38Å; I464-A522 PolarHBondContact N-O 3.21Å; I464-A522 PolarHBondContact O-N 3Å
465	Y	97.8	Very high	94.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.5	173.2	-57.9	-70.1	0	0	0	110	L349 M463 T475 P485 V486 V487 K489 A490 I492 V521	L349-Y465 HydrophobicContact CD1-CE2 4.21Å; M463-Y465 HydrophobicContact CE-CE1 3.8Å; Y465-T475 PolarHBondContact OH-OG1 2.86Å; Y465-P485 PolarHBondContact OH-O 3.35Å; Y465-V486 HydrophobicContact CD1-CB 4.45Å; Y465-V486 HydrophobicContact CD1-CG1 3.73Å; Y465-V486 HydrophobicContact CE1-CB 4.43Å; Y465-V486 HydrophobicContact CE1-CG1 4.18Å; Y465-V486 HydrophobicContact CE1-CG2 4.22Å; Y465-V486 HydrophobicContact CG-CG1 4.16Å; Y465-V487 VanDerWaalsContact CB-O 3.28Å; Y465-V487 WeakPolarHBondContact CB-O 3.41Å; Y465-V487 VanDerWaalsContact CD2-O 3.31Å; Y465-V487 WeakPolarHBondContact CD2-O 3.49Å; Y465-K489 PolarHBondContact O-N 2.84Å; Y465-A490 HydrophobicContact CD2-CB 4.41Å; Y465-A490 PolarHBondContact N-O 2.95Å; Y465-I492 HydrophobicContact CE2-CB 4.3Å; Y465-I492 HydrophobicContact CE2-CG2 3.97Å; Y465-V521 HydrophobicContact CD1-CG1 3.87Å; Y465-V521 HydrophobicContact CE1-CG1 4.31Å
466	L	97.2	Very high	95.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.08	C	C	.	.			trans	-93.6	-2.5	-175.7	-54	178.8	0	0	0	113.7	I354 I362 K363 V427 I464 W520 A522	I354-L466 HydrophobicContact CD1-CD2 3.53Å; I362-L466 HydrophobicContact CB-CD1 4.42Å; I362-L466 HydrophobicContact CD1-CD2 4.27Å; I362-L466 HydrophobicContact CG2-CD1 3.68Å; I362-L466 HydrophobicContact CG2-CD2 4.33Å; K363-L466 HydrophobicContact CD-CB 4.29Å; K363-L466 HydrophobicContact CG-CB 4.25Å; K363-L466 HydrophobicContact CG-CD1 4.13Å; K363-L466 PolarHBondContact NZ-O 3.46Å; V427-L466 HydrophobicContact CG1-CD1 3.85Å; I464-L466 HydrophobicContact CG2-CD2 4.08Å; L466-W520 HydrophobicContact CB-CB 3.74Å; L466-W520 HydrophobicContact CD1-CB 4.3Å; L466-W520 HydrophobicContact CG-CB 4.47Å; L466-W520 PolarHBondContact N-O 3.44Å; L466-A522 HydrophobicContact CD1-CB 4.08Å; L466-A522 HydrophobicContact CD2-CB 4.22Å; L466-A522 HydrophobicContact CG-CB 4.27Å
467	S	93.8	Very high	95.3	Very high	9 Å²	9	13.9 Å²	13.9	6%	0.063	8%	0.077	C	C	.	.	S	Bend	trans	-155.2	158.9	178.8	56.6	0	0	0	0	110.7	D518 W520	S467-D518 VanDerWaalsContact CB-O 3.29Å; S467-D518 WeakPolarHBondContact CB-O 3.45Å; S467-D518 PolarHBondContact OG-O 3.11Å; S467-W520 PolarHBondContact OG-N 3.43Å
468	S	87.8	Confident	95.3	Very high	66 Å²	66	13.4 Å²	13.4	46%	0.462	7%	0.074	S	C	.	.			trans	-75.8	148.1	168.3	40.6	0	0	0	0	112.2	E488	S468-E488 PolarHBondContact N-OE1 3.39Å; S468-E488 VanDerWaalsContact N-OE1 3.1Å; S468-E488 PolarHBondContact OG-OE1 2.85Å; S468-E488 PolarHBondContact OG-OE2 3.1Å
469	V	91.5	Very high	95.2	Very high	20 Å²	20	17.3 Å²	17.3	12%	0.121	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.8	170.9	173.7	0	0	0	0	106.4	A471 G472 V486 V514 I516 K519	V469-A471 WeakPolarHBondContact CG1-O 3.49Å; V469-G472 WeakPolarHBondContact CG1-O 3.25Å; V469-V486 HydrophobicContact CB-CB 4.12Å; V469-V486 HydrophobicContact CB-CG1 3.95Å; V469-V486 HydrophobicContact CB-CG2 4.33Å; V469-V486 HydrophobicContact CG2-CB 4.38Å; V469-V486 HydrophobicContact CG2-CG1 3.8Å; V469-V486 HydrophobicContact CG2-CG2 4.39Å; V469-V514 HydrophobicContact CG1-CG1 4.07Å; V469-I516 WeakPolarHBondContact CG1-O 3.41Å; V469-K519 HydrophobicContact CG2-CB 3.55Å; V469-K519 HydrophobicContact CG2-CD 4.41Å; V469-K519 HydrophobicContact CG2-CG 3.86Å
470	E	90.8	Very high	95.1	Very high	112 Å²	112	18.1 Å²	18.1	52%	0.523	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-42.1	-175.3	-175.6	-176.6	149.8	0	0	111.2	I516	E470-I516 HydrophobicContact CB-CB 4.12Å; E470-I516 HydrophobicContact CB-CG2 3.89Å; E470-I516 HydrophobicContact CG-CG2 4.2Å; E470-I516 PolarHBondContact N-O 2.94Å; E470-I516 VanDerWaalsContact OE2-CG2 3.27Å; E470-I516 WeakPolarHBondContact OE2-CG2 3.48Å
471	A	91.7	Very high	94.8	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.025	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.8	177.3	0	0	0	0	0	112	C171 V469 L515 I516	C171-A471 HydrophobicContact CB-CB 3.56Å; V469-A471 WeakPolarHBondContact CG1-O 3.49Å; A471-L515 HydrophobicContact CB-CB 4.09Å; A471-L515 HydrophobicContact CB-CD2 4.14Å; A471-L515 HydrophobicContact CB-CG 4.4Å; A471-L515 WeakPolarHBondContact O-CB 3.5Å; A471-L515 PolarHBondContact O-N 3.33Å; A471-I516 HydrophobicContact CB-CB 4.13Å; A471-I516 HydrophobicContact CB-CG1 4.28Å; A471-I516 PolarHBondContact N-O 3.25Å; A471-I516 PolarHBondContact O-N 3.13Å
472	G	94	Very high	94.5	Very high	8 Å²	8	22.7 Å²	22.7	8%	0.082	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73	-156.2	-177.8	0	0	0	0	0	113.6	Y147 V469 S474	Y147-G472 WeakPolarHBondContact OH-CA 3.38Å; V469-G472 WeakPolarHBondContact CG1-O 3.25Å; G472-S474 PolarHBondContact O-N 3.19Å; G472-S474 VanDerWaalsContact O-N 3.09Å
473	G	95.1	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.			trans	71.9	-0.6	174.7	0	0	0	0	0	116.7	V486 C512 P513 K519	G473-V486 VanDerWaalsContact C-CG2 3.45Å; G473-V486 WeakPolarHBondContact O-CG2 3.21Å; G473-C512 WeakPolarHBondContact CA-O 3.48Å; G473-P513 PolarHBondContact N-O 2.72Å; G473-K519 WeakPolarHBondContact O-CE 3.3Å; G473-K519 PolarHBondContact O-NZ 2.89Å
474	S	95.5	Very high	94	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.121	C	C	.	.			trans	-57.5	158.3	178.9	54	0	0	0	0	113.2	G472 A484 C512	G472-S474 PolarHBondContact O-N 3.19Å; G472-S474 VanDerWaalsContact O-N 3.09Å; S474-A484 WeakPolarHBondContact CA-O 3.38Å; S474-A484 VanDerWaalsContact CB-O 3.24Å; S474-A484 WeakPolarHBondContact CB-O 3.43Å; S474-C512 VanDerWaalsContact O-CB 3.28Å; S474-C512 WeakPolarHBondContact O-CB 3.26Å; S474-C512 PolarHBondContact O-N 3.28Å; S474-C512 PolarHBondContact OG-SG 3.43Å; S474-C512 VanDerWaalsContact OG-SG 3.33Å
475	T	96	Very high	93.7	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110.3	171.9	-53.2	0	0	0	0	109	M463 Y465 F477 S483 A484 H509 A510	M463-T475 WeakPolarHBondContact CE-OG1 3.26Å; Y465-T475 PolarHBondContact OH-OG1 2.86Å; T475-F477 HydrophobicContact CG2-CD2 4.5Å; T475-F477 HydrophobicContact CG2-CE2 3.94Å; T475-F477 HydrophobicContact CG2-CZ 4.32Å; T475-S483 CarbonylContact O-C 3.55Å; T475-S483 VanDerWaalsContact O-CA 3.26Å; T475-S483 WeakPolarHBondContact O-CA 3.14Å; T475-A484 PolarHBondContact N-O 3.06Å; T475-A484 PolarHBondContact O-N 3.48Å; T475-H509 HydrophobicContact CG2-CB 4.42Å; T475-A510 CarbonylContact C-O 3.46Å; T475-A510 WeakPolarHBondContact CA-O 3.43Å
476	A	95.9	Very high	93.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.7	-179.8	0	0	0	0	0	110.7	Y299 L302 I478 H509 A510	Y299-A476 HydrophobicContact CD2-CB 4.4Å; L302-A476 HydrophobicContact CB-CB 3.83Å; L302-A476 HydrophobicContact CD1-CB 4.17Å; A476-I478 HydrophobicContact CB-CD1 4.01Å; A476-H509 CarbonylContact O-C 3.55Å; A476-H509 WeakPolarHBondContact O-CA 3.5Å; A476-A510 PolarHBondContact N-O 2.85Å; A476-A510 PolarHBondContact O-N 2.99Å
477	F	96.1	Very high	93.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107.1	170.6	-69.5	-94.9	0	0	0	108.5	L302 P345 V347 T475 A480 N481 F482 I492 W494 H509	L302-F477 WeakPolarHBondContact CD1-O 3.28Å; P345-F477 HydrophobicContact CG-CD1 4.37Å; V347-F477 HydrophobicContact CG1-CE2 4.24Å; V347-F477 HydrophobicContact CG1-CZ 4.15Å; V347-F477 HydrophobicContact CG2-CE1 4.14Å; V347-F477 HydrophobicContact CG2-CE2 4.45Å; V347-F477 HydrophobicContact CG2-CZ 4.03Å; T475-F477 HydrophobicContact CG2-CD2 4.5Å; T475-F477 HydrophobicContact CG2-CE2 3.94Å; T475-F477 HydrophobicContact CG2-CZ 4.32Å; F477-A480 HydrophobicContact CB-CB 3.87Å; F477-N481 PolarHBondContact O-N 3.26Å; F477-F482 HydrophobicContact CB-CD1 3.9Å; F477-F482 HydrophobicContact CB-CE1 3.53Å; F477-F482 HydrophobicContact CB-CZ 3.94Å; F477-F482 HydrophobicContact CD1-CE1 4.46Å; F477-F482 HydrophobicContact CD1-CZ 4.35Å; F477-F482 HydrophobicContact CD2-CD2 4.33Å; F477-F482 AromaticContact CD2-CE1 3.84Å; F477-F482 HydrophobicContact CD2-CE1 3.84Å; F477-F482 AromaticContact CD2-CE2 3.58Å; F477-F482 HydrophobicContact CD2-CE2 3.58Å; F477-F482 AromaticContact CD2-CZ 3.28Å; F477-F482 HydrophobicContact CD2-CZ 3.28Å; F477-F482 HydrophobicContact CE2-CE2 4.04Å; F477-F482 AromaticContact CE2-CZ 3.81Å; F477-F482 HydrophobicContact CE2-CZ 3.81Å; F477-F482 HydrophobicContact CG-CD1 4.47Å; F477-F482 AromaticContact CG-CE1 3.7Å; F477-F482 HydrophobicContact CG-CE1 3.7Å; F477-F482 HydrophobicContact CG-CE2 4.3Å; F477-F482 AromaticContact CG-CZ 3.6Å; F477-F482 HydrophobicContact CG-CZ 3.6Å; F477-F482 PolarHBondContact N-O 2.8Å; F477-F482 PolarHBondContact O-N 3.06Å; F477-I492 HydrophobicContact CE2-CD1 4.12Å; F477-I492 HydrophobicContact CZ-CD1 4.39Å; F477-W494 HydrophobicContact CE1-CD2 4.12Å; F477-W494 HydrophobicContact CE1-CG 4.12Å; F477-W494 AromaticContact CZ-CD2 3.97Å; F477-W494 HydrophobicContact CZ-CD2 3.97Å; F477-W494 AromaticContact CZ-CE3 3.98Å; F477-W494 HydrophobicContact CZ-CE3 3.98Å; F477-W494 HydrophobicContact CZ-CG 4.3Å; F477-W494 HydrophobicContact CZ-CZ3 4.45Å; F477-H509 HydrophobicContact CD1-CB 3.91Å; F477-H509 HydrophobicContact CE1-CB 4.04Å; F477-H509 HydrophobicContact CG-CB 4.33Å
478	I	94.6	Very high	93.2	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-55	-159.8	-54.4	-52.9	0	0	0	111.6	T295 T298 Y299 L302 P438 A476 N481 L508 A510	T295-I478 HydrophobicContact CG2-CG2 3.87Å; T298-I478 HydrophobicContact CG2-CG2 3.85Å; T298-I478 WeakPolarHBondContact CG2-O 3.42Å; Y299-I478 HydrophobicContact CD2-CD1 3.98Å; Y299-I478 HydrophobicContact CG-CD1 4.43Å; L302-I478 HydrophobicContact CD1-CD1 4.27Å; P438-I478 HydrophobicContact CB-CG1 4.09Å; P438-I478 HydrophobicContact CG-CD1 4.15Å; P438-I478 HydrophobicContact CG-CG1 4.05Å; A476-I478 HydrophobicContact CB-CD1 4.01Å; I478-N481 PolarHBondContact O-N 3.35Å; I478-L508 HydrophobicContact CB-CD2 4.06Å; I478-L508 HydrophobicContact CB-CG 4.29Å; I478-L508 HydrophobicContact CG1-CD2 4.33Å; I478-L508 HydrophobicContact CG1-CG 4.25Å; I478-L508 WeakPolarHBondContact CG1-O 3.28Å; I478-L508 HydrophobicContact CG2-CD2 4.27Å; I478-L508 PolarHBondContact N-O 3.4Å; I478-A510 HydrophobicContact CD1-CB 4.27Å
479	Y	94.3	Very high	93.6	Very high	116 Å²	116	29.3 Å²	29.3	46%	0.455	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-33.3	-179.1	-62.8	-26.4	0	0	0	112.3	T295 N481 E505 L508	T295-Y479 HydrophobicContact CG2-CE1 3.75Å; Y479-N481 PolarHBondContact O-N 3.31Å; Y479-E505 HydrophobicContact CD2-CB 4.25Å; Y479-E505 WeakPolarHBondContact CD2-O 3.4Å; Y479-E505 HydrophobicContact CE2-CB 4.49Å; Y479-L508 HydrophobicContact CD1-CD2 4.37Å; Y479-L508 HydrophobicContact CD2-CB 4.08Å; Y479-L508 HydrophobicContact CD2-CD2 4.24Å; Y479-L508 HydrophobicContact CE1-CD2 3.89Å; Y479-L508 HydrophobicContact CE2-CB 4.17Å; Y479-L508 HydrophobicContact CE2-CD2 3.73Å
480	A	92.7	Very high	93.9	Very high	26 Å²	26	28.4 Å²	28.4	22%	0.215	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.2	171.3	0	0	0	0	0	113.8	P345 F477 F482	P345-A480 HydrophobicContact CG-CB 4.34Å; F477-A480 HydrophobicContact CB-CB 3.87Å; A480-F482 HydrophobicContact CB-CD1 3.56Å; A480-F482 HydrophobicContact CB-CE1 3.53Å; A480-F482 PolarHBondContact O-N 3.4Å
481	N	92.4	Very high	94.2	Very high	77 Å²	77	23 Å²	23	41%	0.412	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	40.3	173.4	-170.6	30.1	0	0	0	114.5	R301 F477 I478 Y479	R301-N481 PolarHBondContact NH1-OD1 3.19Å; R301-N481 PolarHBondContact NH2-OD1 3.35Å; F477-N481 PolarHBondContact O-N 3.26Å; I478-N481 PolarHBondContact O-N 3.35Å; Y479-N481 PolarHBondContact O-N 3.31Å
482	F	92.4	Very high	94.5	Very high	20 Å²	20	22.9 Å²	22.9	9%	0.088	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	168.4	173.4	80.3	-82.2	0	0	0	111.6	Q309 L341 V347 F477 A480	Q309-F482 HydrophobicContact CG-CB 4.16Å; L341-F482 HydrophobicContact CB-CE2 4.42Å; V347-F482 HydrophobicContact CB-CZ 4.08Å; V347-F482 HydrophobicContact CG1-CZ 4.36Å; V347-F482 HydrophobicContact CG2-CZ 3.76Å; F477-F482 HydrophobicContact CB-CD1 3.9Å; F477-F482 HydrophobicContact CB-CE1 3.53Å; F477-F482 HydrophobicContact CB-CZ 3.94Å; F477-F482 HydrophobicContact CD1-CE1 4.46Å; F477-F482 HydrophobicContact CD1-CZ 4.35Å; F477-F482 HydrophobicContact CD2-CD2 4.33Å; F477-F482 AromaticContact CD2-CE1 3.84Å; F477-F482 HydrophobicContact CD2-CE1 3.84Å; F477-F482 AromaticContact CD2-CE2 3.58Å; F477-F482 HydrophobicContact CD2-CE2 3.58Å; F477-F482 AromaticContact CD2-CZ 3.28Å; F477-F482 HydrophobicContact CD2-CZ 3.28Å; F477-F482 HydrophobicContact CE2-CE2 4.04Å; F477-F482 AromaticContact CE2-CZ 3.81Å; F477-F482 HydrophobicContact CE2-CZ 3.81Å; F477-F482 HydrophobicContact CG-CD1 4.47Å; F477-F482 AromaticContact CG-CE1 3.7Å; F477-F482 HydrophobicContact CG-CE1 3.7Å; F477-F482 HydrophobicContact CG-CE2 4.3Å; F477-F482 AromaticContact CG-CZ 3.6Å; F477-F482 HydrophobicContact CG-CZ 3.6Å; F477-F482 PolarHBondContact N-O 2.8Å; F477-F482 PolarHBondContact O-N 3.06Å; A480-F482 HydrophobicContact CB-CD1 3.56Å; A480-F482 HydrophobicContact CB-CE1 3.53Å; A480-F482 PolarHBondContact O-N 3.4Å
483	S	93.3	Very high	94.7	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.5	176.5	59.6	0	0	0	0	109.6	T305 G307 Q309 T475	T305-S483 PolarHBondContact OG1-OG 3.21Å; G307-S483 VanDerWaalsContact CA-OG 3.26Å; G307-S483 WeakPolarHBondContact CA-OG 3.22Å; G307-S483 PolarHBondContact N-OG 3.14Å; Q309-S483 PolarHBondContact NE2-OG 3.06Å; T475-S483 CarbonylContact O-C 3.55Å; T475-S483 VanDerWaalsContact O-CA 3.26Å; T475-S483 WeakPolarHBondContact O-CA 3.14Å
484	A	92.7	Very high	94.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.6	173.5	0	0	0	0	0	109.9	L341 S474 T475 I492	L341-A484 HydrophobicContact CD1-CB 3.74Å; S474-A484 WeakPolarHBondContact CA-O 3.38Å; S474-A484 VanDerWaalsContact CB-O 3.24Å; S474-A484 WeakPolarHBondContact CB-O 3.43Å; T475-A484 PolarHBondContact N-O 3.06Å; T475-A484 PolarHBondContact O-N 3.48Å; A484-I492 HydrophobicContact CB-CD1 3.45Å; A484-I492 VanDerWaalsContact CB-CD1 3.45Å
485	P	91.4	Very high	95	Very high	41 Å²	41	25.4 Å²	25.4	27%	0.266	13%	0.127	S	C	.	.			trans	-69.4	159.4	178.5	29.4	-34.3	0	0	0	111.8	Y465 V487	Y465-P485 PolarHBondContact OH-O 3.35Å; P485-V487 HydrophobicContact CB-CG2 4.27Å; P485-V487 HydrophobicContact CG-CG2 3.95Å; P485-V487 PolarHBondContact O-N 3Å
486	V	93.8	Very high	95	Very high	26 Å²	26	25.2 Å²	25.2	16%	0.158	13%	0.126	C	C	.	.			trans	-83.3	108.1	168.2	-178.4	0	0	0	0	108.2	Y465 V469 G473	Y465-V486 HydrophobicContact CD1-CB 4.45Å; Y465-V486 HydrophobicContact CD1-CG1 3.73Å; Y465-V486 HydrophobicContact CE1-CB 4.43Å; Y465-V486 HydrophobicContact CE1-CG1 4.18Å; Y465-V486 HydrophobicContact CE1-CG2 4.22Å; Y465-V486 HydrophobicContact CG-CG1 4.16Å; V469-V486 HydrophobicContact CB-CB 4.12Å; V469-V486 HydrophobicContact CB-CG1 3.95Å; V469-V486 HydrophobicContact CB-CG2 4.33Å; V469-V486 HydrophobicContact CG2-CB 4.38Å; V469-V486 HydrophobicContact CG2-CG1 3.8Å; V469-V486 HydrophobicContact CG2-CG2 4.39Å; G473-V486 VanDerWaalsContact C-CG2 3.45Å; G473-V486 WeakPolarHBondContact O-CG2 3.21Å
487	V	93.4	Very high	95	Very high	40 Å²	40	25.3 Å²	25.3	24%	0.242	13%	0.126	C	C	.	.			trans	-111.5	109	178.4	-176.4	0	0	0	0	108.7	L349 Y465 P485 K489 A490	L349-V487 HydrophobicContact CD2-CB 4.33Å; L349-V487 HydrophobicContact CD2-CG2 3.91Å; Y465-V487 VanDerWaalsContact CB-O 3.28Å; Y465-V487 WeakPolarHBondContact CB-O 3.41Å; Y465-V487 VanDerWaalsContact CD2-O 3.31Å; Y465-V487 WeakPolarHBondContact CD2-O 3.49Å; P485-V487 HydrophobicContact CB-CG2 4.27Å; P485-V487 HydrophobicContact CG-CG2 3.95Å; P485-V487 PolarHBondContact O-N 3Å; V487-K489 PolarHBondContact O-N 3.24Å; V487-A490 HydrophobicContact CB-CB 3.75Å; V487-A490 HydrophobicContact CG1-CB 3.79Å; V487-A490 WeakPolarHBondContact O-CB 3.41Å; V487-A490 PolarHBondContact O-N 3.33Å
488	E	92.1	Very high	94.9	Very high	70 Å²	70	29.1 Å²	29.1	33%	0.327	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	139.9	179.9	-179.1	168.9	-130.5	0	0	111.5	S468 A490	S468-E488 PolarHBondContact N-OE1 3.39Å; S468-E488 VanDerWaalsContact N-OE1 3.1Å; S468-E488 PolarHBondContact OG-OE1 2.85Å; S468-E488 PolarHBondContact OG-OE2 3.1Å; E488-A490 PolarHBondContact O-N 3.43Å
489	K	95.9	Very high	94.7	Very high	44 Å²	44	34.5 Å²	34.5	19%	0.191	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-4.2	-175.1	-67.6	174.4	-78.1	-135.5	0	115.6	N352 F353 I354 D356 Y465 V487	N352-K489 CarbonylContact C-O 3.45Å; F353-K489 PolarHBondContact N-O 2.9Å; I354-K489 HydrophobicContact CG1-CB 4.13Å; I354-K489 HydrophobicContact CG1-CG 4.22Å; I354-K489 PolarHBondContact N-O 3.24Å; I354-K489 WeakPolarHBondContact O-CB 3.36Å; I354-K489 WeakPolarHBondContact O-CD 3.36Å; I354-K489 WeakPolarHBondContact O-CG 3.33Å; D356-K489 VanDerWaalsContact CG-NZ 3.28Å; D356-K489 VanDerWaalsContact OD1-CD 3.26Å; D356-K489 WeakPolarHBondContact OD1-CD 3.44Å; D356-K489 WeakPolarHBondContact OD1-CE 3.42Å; D356-K489 IonicContact OD1-NZ 3.77Å; D356-K489 PolarHBondContact OD1-NZ 3.31Å; D356-K489 IonicContact OD2-NZ 2.75Å; D356-K489 PolarHBondContact OD2-NZ 3.35Å; Y465-K489 PolarHBondContact O-N 2.84Å; V487-K489 PolarHBondContact O-N 3.24Å
490	A	97.4	Very high	94.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.			trans	-83	164.4	174.3	0	0	0	0	0	111.4	L349 Y350 Y465 V487 E488	L349-A490 HydrophobicContact CD1-CB 3.79Å; L349-A490 HydrophobicContact CG-CB 4.18Å; Y350-A490 CarbonylContact O-C 3.53Å; Y350-A490 WeakPolarHBondContact O-CA 3.17Å; Y350-A490 WeakPolarHBondContact O-CB 3.14Å; Y465-A490 HydrophobicContact CD2-CB 4.41Å; Y465-A490 PolarHBondContact N-O 2.95Å; V487-A490 HydrophobicContact CB-CB 3.75Å; V487-A490 HydrophobicContact CG1-CB 3.79Å; V487-A490 WeakPolarHBondContact O-CB 3.41Å; V487-A490 PolarHBondContact O-N 3.33Å; E488-A490 PolarHBondContact O-N 3.43Å
491	A	98.1	Very high	94.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.1	169.9	0	0	0	0	0	110.6	L349 Y350 F353 F462 M463 I464	L349-A491 CarbonylContact C-O 3.6Å; L349-A491 WeakPolarHBondContact CA-O 3.26Å; Y350-A491 PolarHBondContact N-O 3.28Å; Y350-A491 PolarHBondContact O-N 3.26Å; F353-A491 HydrophobicContact CB-CB 3.99Å; F353-A491 HydrophobicContact CD1-CB 3.77Å; F353-A491 HydrophobicContact CE1-CB 4.48Å; F353-A491 HydrophobicContact CG-CB 3.88Å; F462-A491 HydrophobicContact CD1-CB 4.13Å; F462-A491 HydrophobicContact CE1-CB 3.29Å; F462-A491 HydrophobicContact CZ-CB 3.52Å; M463-A491 CarbonylContact O-C 3.57Å; M463-A491 WeakPolarHBondContact O-CA 3.22Å; I464-A491 HydrophobicContact CB-CB 4.36Å; I464-A491 HydrophobicContact CG1-CB 3.82Å
492	I	97.9	Very high	94.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.2	174.8	-175.6	174	0	0	0	109.4	L341 V347 E348 L349 M463 Y465 F477 A484 W494	L341-I492 HydrophobicContact CD1-CD1 4.26Å; V347-I492 HydrophobicContact CG1-CD1 3.72Å; V347-I492 HydrophobicContact CG1-CG1 3.75Å; E348-I492 CarbonylContact O-C 3.47Å; E348-I492 VanDerWaalsContact O-CA 3.28Å; E348-I492 WeakPolarHBondContact O-CA 3.48Å; L349-I492 HydrophobicContact CD1-CB 4.17Å; M463-I492 HydrophobicContact CB-CG2 3.89Å; M463-I492 HydrophobicContact CE-CG2 3.5Å; M463-I492 VanDerWaalsContact CE-CG2 3.5Å; M463-I492 HydrophobicContact CG-CG2 4.44Å; M463-I492 PolarHBondContact N-O 3.45Å; M463-I492 PolarHBondContact O-N 3.46Å; Y465-I492 HydrophobicContact CE2-CB 4.3Å; Y465-I492 HydrophobicContact CE2-CG2 3.97Å; F477-I492 HydrophobicContact CE2-CD1 4.12Å; F477-I492 HydrophobicContact CZ-CD1 4.39Å; A484-I492 HydrophobicContact CB-CD1 3.45Å; A484-I492 VanDerWaalsContact CB-CD1 3.45Å; I492-W494 HydrophobicContact CD1-CE3 4.48Å; I492-W494 HydrophobicContact CD1-CZ3 4.48Å; I492-W494 HydrophobicContact CG1-CE3 4.1Å; I492-W494 HydrophobicContact CG1-CZ3 4.23Å; I492-W494 HydrophobicContact CG2-CZ3 3.87Å
493	F	98.4	Very high	94.4	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.022	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.4	-178.4	173.8	-103.4	0	0	0	110.7	V347 E348 Y350 T413 A460 T461 F462 W495	V347-F493 WeakPolarHBondContact CA-O 3.12Å; E348-F493 PolarHBondContact N-O 3.45Å; E348-F493 PolarHBondContact O-N 3.31Å; Y350-F493 HydrophobicContact CD2-CB 4.38Å; Y350-F493 HydrophobicContact CE2-CB 3.78Å; Y350-F493 HydrophobicContact CE2-CG 4.44Å; T413-F493 HydrophobicContact CG2-CD2 4.06Å; T413-F493 HydrophobicContact CG2-CE2 3.89Å; T413-F493 HydrophobicContact CG2-CZ 4.45Å; A460-F493 HydrophobicContact CB-CE2 3.69Å; A460-F493 HydrophobicContact CB-CZ 4.06Å; T461-F493 WeakPolarHBondContact O-CA 3.45Å; T461-F493 WeakPolarHBondContact O-CD2 3.5Å; F462-F493 HydrophobicContact CB-CD2 4.27Å; F462-F493 HydrophobicContact CD2-CB 3.98Å; F462-F493 AromaticContact CD2-CD2 3.73Å; F462-F493 HydrophobicContact CD2-CD2 3.73Å; F462-F493 HydrophobicContact CD2-CG 4.2Å; F462-F493 HydrophobicContact CE2-CB 4.33Å; F462-F493 HydrophobicContact CG-CD2 4.47Å; F493-W495 HydrophobicContact CE1-CD2 4.18Å; F493-W495 AromaticContact CE1-CE2 3.66Å; F493-W495 AromaticContact CE1-CZ2 3.88Å; F493-W495 HydrophobicContact CE1-CZ2 3.88Å; F493-W495 AromaticContact CE1-NE1 3.7Å; F493-W495 AromaticContact CZ-CD2 3.89Å; F493-W495 HydrophobicContact CZ-CD2 3.89Å; F493-W495 AromaticContact CZ-CE2 3.63Å; F493-W495 HydrophobicContact CZ-CE3 4.05Å; F493-W495 AromaticContact CZ-CH2 3.84Å; F493-W495 HydrophobicContact CZ-CH2 3.84Å; F493-W495 AromaticContact CZ-CZ2 3.62Å; F493-W495 HydrophobicContact CZ-CZ2 3.62Å; F493-W495 HydrophobicContact CZ-CZ3 4.03Å
494	W	98.3	Very high	94.5	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	158.5	169.9	66.2	93.3	0	0	0	111.4	H346 V347 A460 T461 M463 F477 I492 N496 H509	H346-W494 WeakPolarHBondContact O-CA 3.45Å; V347-W494 HydrophobicContact CG2-CB 3.83Å; A460-W494 WeakPolarHBondContact CA-O 3.49Å; T461-W494 HydrophobicContact CG2-CH2 3.39Å; T461-W494 HydrophobicContact CG2-CZ2 3.39Å; T461-W494 HydrophobicContact CG2-CZ3 4.03Å; T461-W494 PolarHBondContact N-O 3Å; T461-W494 PolarHBondContact O-N 3.31Å; T461-W494 VanDerWaalsContact O-N 3.16Å; M463-W494 HydrophobicContact CB-CH2 4.43Å; M463-W494 HydrophobicContact CB-CZ3 4.35Å; F477-W494 HydrophobicContact CE1-CD2 4.12Å; F477-W494 HydrophobicContact CE1-CG 4.12Å; F477-W494 AromaticContact CZ-CD2 3.97Å; F477-W494 HydrophobicContact CZ-CD2 3.97Å; F477-W494 AromaticContact CZ-CE3 3.98Å; F477-W494 HydrophobicContact CZ-CE3 3.98Å; F477-W494 HydrophobicContact CZ-CG 4.3Å; F477-W494 HydrophobicContact CZ-CZ3 4.45Å; I492-W494 HydrophobicContact CD1-CE3 4.48Å; I492-W494 HydrophobicContact CD1-CZ3 4.48Å; I492-W494 HydrophobicContact CG1-CE3 4.1Å; I492-W494 HydrophobicContact CG1-CZ3 4.23Å; I492-W494 HydrophobicContact CG2-CZ3 3.87Å; W494-N496 VanDerWaalsContact CD1-OD1 3.3Å; W494-N496 PolarHBondContact NE1-OD1 2.77Å; W494-H509 AromaticContact CZ2-CE1 3.66Å; W494-H509 AromaticContact CZ2-NE2 3.58Å
495	W	97.5	Very high	94.6	Very high	55 Å²	55	40.6 Å²	40.6	21%	0.208	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.1	172.6	-61.3	105.6	0	0	0	109.7	L415 M459 A460 F493 T507 R535	L415-W495 HydrophobicContact CD1-CH2 3.65Å; L415-W495 HydrophobicContact CD1-CZ3 3.63Å; L415-W495 HydrophobicContact CD2-CH2 3.98Å; L415-W495 HydrophobicContact CD2-CZ3 4.28Å; L415-W495 HydrophobicContact CG-CH2 4.13Å; L415-W495 HydrophobicContact CG-CZ3 4.47Å; M459-W495 HydrophobicContact SD-CE3 4.46Å; M459-W495 HydrophobicContact SD-CZ3 3.77Å; A460-W495 HydrophobicContact CB-CD2 4.47Å; A460-W495 HydrophobicContact CB-CE3 3.57Å; A460-W495 HydrophobicContact CB-CZ3 3.79Å; F493-W495 HydrophobicContact CE1-CD2 4.18Å; F493-W495 AromaticContact CE1-CE2 3.66Å; F493-W495 AromaticContact CE1-CZ2 3.88Å; F493-W495 HydrophobicContact CE1-CZ2 3.88Å; F493-W495 AromaticContact CE1-NE1 3.7Å; F493-W495 AromaticContact CZ-CD2 3.89Å; F493-W495 HydrophobicContact CZ-CD2 3.89Å; F493-W495 AromaticContact CZ-CE2 3.63Å; F493-W495 HydrophobicContact CZ-CE3 4.05Å; F493-W495 AromaticContact CZ-CH2 3.84Å; F493-W495 HydrophobicContact CZ-CH2 3.84Å; F493-W495 AromaticContact CZ-CZ2 3.62Å; F493-W495 HydrophobicContact CZ-CZ2 3.62Å; F493-W495 HydrophobicContact CZ-CZ3 4.03Å; W495-T507 WeakPolarHBondContact O-CG2 3.32Å; W495-R535 VanDerWaalsContact CD2-CZ 3.48Å; W495-R535 HydrophobicContact CH2-CG 4.37Å; W495-R535 HydrophobicContact CZ3-CG 4.49Å
496	N	97.5	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-84.9	-22.5	176.1	-66.7	-46.6	0	0	0	112.7	H442 R458 M459 A460 T461 W494 D504	H442-N496 HydrophobicContact CB-CB 4.06Å; H442-N496 PolarHBondContact ND1-O 3.23Å; R458-N496 VanDerWaalsContact O-CB 3.28Å; R458-N496 WeakPolarHBondContact O-CB 3.37Å; M459-N496 PolarHBondContact O-N 3.02Å; A460-N496 VanDerWaalsContact C-ND2 3.26Å; T461-N496 PolarHBondContact N-ND2 3.43Å; T461-N496 PolarHBondContact OG1-ND2 2.87Å; W494-N496 VanDerWaalsContact CD1-OD1 3.3Å; W494-N496 PolarHBondContact NE1-OD1 2.77Å; N496-D504 PolarHBondContact O-N 3.44Å
497	L	95.3	Very high	95	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-121.1	146.8	-178.8	-53.6	175.9	0	0	0	110	H442 N457 M459 Q502 E528 R535	H442-L497 HydrophobicContact CB-CD2 3.66Å; N457-L497 HydrophobicContact CB-CD1 3.99Å; M459-L497 HydrophobicContact CB-CD1 3.95Å; M459-L497 HydrophobicContact CB-CG 4.46Å; M459-L497 PolarHBondContact O-N 3.05Å; L497-Q502 CarbonylContact C-O 3.02Å; L497-Q502 WeakPolarHBondContact CA-O 3.47Å; L497-E528 VanDerWaalsContact CD1-CD 3.4Å; L497-E528 HydrophobicContact CD1-CG 3.53Å; L497-E528 WeakPolarHBondContact CD1-OE1 3.38Å; L497-R535 PolarHBondContact O-NH1 3.31Å; L497-R535 PolarHBondContact O-NH2 3.07Å
498	R	93.1	Very high	95.1	Very high	79 Å²	79	37.9 Å²	37.9	30%	0.298	18%	0.183	S	C	.	.			trans	-64.9	165.5	165	-67.8	174.8	-171.2	-101.2	-13.9	110.6	N500 G501 Q502 D504 E543	R498-N500 VanDerWaalsContact CB-OD1 3.26Å; R498-N500 WeakPolarHBondContact CB-OD1 3.42Å; R498-N500 PolarHBondContact O-N 3.49Å; R498-G501 PolarHBondContact O-N 3.13Å; R498-Q502 PolarHBondContact N-O 3.46Å; R498-D504 HydrophobicContact CG-CB 4.22Å; R498-D504 IonicContact CZ-OD1 3.09Å; R498-D504 IonicContact NE-OD1 3.24Å; R498-D504 IonicContact NH2-OD1 3.59Å; R498-D504 PolarHBondContact NH2-OD1 2.92Å; R498-E543 WeakPolarHBondContact CB-OXT 3.45Å
499	R	90.6	Very high	95.3	Very high	117 Å²	117	35 Å²	35	44%	0.442	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.7	178.7	-66.3	-175.6	168.4	-96.9	1	112.7	G501 R536 E543	R499-G501 VanDerWaalsContact C-N 3.26Å; R499-R536 PolarHBondContact NH1-O 3.47Å; R499-E543 CarbonylContact C-O 3.55Å; R499-E543 VanDerWaalsContact C-O 3.28Å; R499-E543 WeakPolarHBondContact CA-O 3.46Å; R499-E543 VanDerWaalsContact CB-O 3.3Å; R499-E543 WeakPolarHBondContact CB-O 3.24Å; R499-E543 WeakPolarHBondContact CB-OXT 3.37Å; R499-E543 VanDerWaalsContact N-C 3.26Å; R499-E543 PolarHBondContact N-O 3.3Å; R499-E543 VanDerWaalsContact N-O 3.07Å; R499-E543 PolarHBondContact N-OXT 3.42Å
500	N	89.5	Confident	95.3	Very high	50 Å²	50	33 Å²	33	27%	0.267	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.8	172.3	71.2	6.2	0	0	0	113.5	R498 Q502 P541 E543	R498-N500 VanDerWaalsContact CB-OD1 3.26Å; R498-N500 WeakPolarHBondContact CB-OD1 3.42Å; R498-N500 PolarHBondContact O-N 3.49Å; N500-Q502 VanDerWaalsContact OD1-CB 3.29Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.34Å; N500-Q502 WeakPolarHBondContact OD1-CG 3.43Å; N500-Q502 PolarHBondContact OD1-N 3.46Å; N500-P541 WeakPolarHBondContact CB-O 3.42Å; N500-P541 PolarHBondContact ND2-O 3.14Å; N500-E543 WeakPolarHBondContact CB-O 3.36Å; N500-E543 PolarHBondContact N-O 3.26Å
501	G	89.9	Confident	95.2	Very high	26 Å²	26	33.2 Å²	33.2	27%	0.268	16%	0.164	S	C	.	.	S	Bend	trans	85.4	-2.1	179.2	0	0	0	0	0	114.9	R498 R499	R498-G501 PolarHBondContact O-N 3.13Å; R499-G501 VanDerWaalsContact C-N 3.26Å
502	Q	92.3	Very high	95.1	Very high	120 Å²	120	33.2 Å²	33.2	56%	0.561	16%	0.164	S	C	*	.			trans	-74.3	148	174.8	-63.9	-172.7	12.4	0	0	111.3	L497 R498 N500 D504	L497-Q502 CarbonylContact C-O 3.02Å; L497-Q502 WeakPolarHBondContact CA-O 3.47Å; R498-Q502 PolarHBondContact N-O 3.46Å; N500-Q502 VanDerWaalsContact OD1-CB 3.29Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.34Å; N500-Q502 WeakPolarHBondContact OD1-CG 3.43Å; N500-Q502 PolarHBondContact OD1-N 3.46Å; Q502-D504 PolarHBondContact O-N 2.99Å
503	G	94.7	Very high	95	Very high	25 Å²	25	33.2 Å²	33.2	26%	0.258	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-58.8	133.5	172.6	0	0	0	0	0	111.6	H442	H442-G503 WeakPolarHBondContact NE2-CA 3.4Å
504	D	95.6	Very high	94.8	Very high	18 Å²	18	33.3 Å²	33.3	10%	0.096	16%	0.164	C	C	.	.			trans	-89.2	110.4	174.6	-169.4	7.1	0	0	0	110.3	N496 R498 Q502 D506 T507	N496-D504 PolarHBondContact O-N 3.44Å; R498-D504 HydrophobicContact CG-CB 4.22Å; R498-D504 IonicContact CZ-OD1 3.09Å; R498-D504 IonicContact NE-OD1 3.24Å; R498-D504 IonicContact NH2-OD1 3.59Å; R498-D504 PolarHBondContact NH2-OD1 2.92Å; Q502-D504 PolarHBondContact O-N 2.99Å; D504-D506 PolarHBondContact O-N 3.05Å; D504-D506 PolarHBondContact OD1-N 3.37Å; D504-T507 HydrophobicContact CB-CG2 3.77Å; D504-T507 WeakPolarHBondContact O-CB 3.24Å; D504-T507 PolarHBondContact O-N 3.46Å; D504-T507 VanDerWaalsContact O-N 3.11Å; D504-T507 PolarHBondContact O-OG1 3.16Å
505	E	95.2	Very high	94.5	Very high	132 Å²	132	33.8 Å²	33.8	62%	0.617	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-61.8	-30.8	-177.4	-63.7	-167.6	144.1	0	0	112.3	F440 Y479 T507 L508	F440-E505 WeakPolarHBondContact CE1-O 3.39Å; Y479-E505 HydrophobicContact CD2-CB 4.25Å; Y479-E505 WeakPolarHBondContact CD2-O 3.4Å; Y479-E505 HydrophobicContact CE2-CB 4.49Å; E505-T507 PolarHBondContact O-N 2.88Å; E505-L508 PolarHBondContact O-N 3.1Å
506	D	95.3	Very high	94.2	Very high	36 Å²	36	32.7 Å²	32.7	19%	0.193	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-65.6	-11.3	179.7	-66.4	-35.8	0	0	0	112.8	P345 D504 L508	P345-D506 HydrophobicContact CB-CB 4.33Å; P345-D506 HydrophobicContact CG-CB 4.17Å; D504-D506 PolarHBondContact O-N 3.05Å; D504-D506 PolarHBondContact OD1-N 3.37Å; D506-L508 VanDerWaalsContact C-N 3.33Å
507	T	96.6	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-87.2	3.5	176.5	71.4	0	0	0	0	113.8	P345 W495 D504 E505 H509	P345-T507 HydrophobicContact CB-CG2 3.87Å; P345-T507 HydrophobicContact CG-CG2 4.21Å; W495-T507 WeakPolarHBondContact O-CG2 3.32Å; D504-T507 HydrophobicContact CB-CG2 3.77Å; D504-T507 WeakPolarHBondContact O-CB 3.24Å; D504-T507 PolarHBondContact O-N 3.46Å; D504-T507 VanDerWaalsContact O-N 3.11Å; D504-T507 PolarHBondContact O-OG1 3.16Å; E505-T507 PolarHBondContact O-N 2.88Å; T507-H509 PolarHBondContact O-N 2.98Å; T507-H509 PolarHBondContact O-ND1 3.3Å
508	L	96.3	Very high	93.5	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.073	18%	0.184	C	C	.	.			trans	-57.2	111	170.6	-176.9	71.4	0	0	0	108.2	T295 P438 F440 I478 Y479 E505 D506	T295-L508 HydrophobicContact CG2-CD2 4.38Å; P438-L508 HydrophobicContact CB-CD1 4.27Å; P438-L508 HydrophobicContact CB-CD2 4.37Å; P438-L508 HydrophobicContact CB-CG 4.24Å; F440-L508 HydrophobicContact CD1-CB 4.27Å; F440-L508 HydrophobicContact CD1-CD1 4.4Å; F440-L508 HydrophobicContact CD2-CD1 3.99Å; F440-L508 HydrophobicContact CE1-CB 3.58Å; F440-L508 HydrophobicContact CE1-CD1 4.16Å; F440-L508 HydrophobicContact CE1-CG 4.48Å; F440-L508 HydrophobicContact CE2-CB 4.48Å; F440-L508 HydrophobicContact CE2-CD1 3.74Å; F440-L508 HydrophobicContact CG-CD1 4.34Å; F440-L508 HydrophobicContact CZ-CB 3.71Å; F440-L508 HydrophobicContact CZ-CD1 3.84Å; F440-L508 HydrophobicContact CZ-CG 4.29Å; I478-L508 HydrophobicContact CB-CD2 4.06Å; I478-L508 HydrophobicContact CB-CG 4.29Å; I478-L508 HydrophobicContact CG1-CD2 4.33Å; I478-L508 HydrophobicContact CG1-CG 4.25Å; I478-L508 WeakPolarHBondContact CG1-O 3.28Å; I478-L508 HydrophobicContact CG2-CD2 4.27Å; I478-L508 PolarHBondContact N-O 3.4Å; Y479-L508 HydrophobicContact CD1-CD2 4.37Å; Y479-L508 HydrophobicContact CD2-CB 4.08Å; Y479-L508 HydrophobicContact CD2-CD2 4.24Å; Y479-L508 HydrophobicContact CE1-CD2 3.89Å; Y479-L508 HydrophobicContact CE2-CB 4.17Å; Y479-L508 HydrophobicContact CE2-CD2 3.73Å; E505-L508 PolarHBondContact O-N 3.1Å; D506-L508 VanDerWaalsContact C-N 3.33Å
509	H	96.6	Very high	93.6	Very high	11 Å²	11	31 Å²	31	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160	-171.2	68.9	-78.9	0	0	0	112.3	P438 H439 D441 T475 A476 F477 W494 T507	P438-H509 CarbonylContact C-O 3.5Å; P438-H509 WeakPolarHBondContact CA-O 3.43Å; H439-H509 AromaticContact CE1-CD2 3.9Å; H439-H509 AromaticContact CE1-NE2 3.6Å; H439-H509 PolarHBondContact N-O 2.63Å; H439-H509 PolarHBondContact ND1-O 2.75Å; H439-H509 VanDerWaalsContact ND1-O 3.07Å; H439-H509 AromaticContact NE2-CE1 3.89Å; H439-H509 AromaticContact NE2-NE2 3.43Å; H439-H509 PolarHBondContact NE2-NE2 3.14Å; H439-H509 PolarHBondContact O-N 3.18Å; H439-H509 PolarHBondContact O-ND1 2.66Å; D441-H509 IonicContact OD1-CE1 3.88Å; D441-H509 IonicContact OD2-CE1 2.6Å; D441-H509 IonicContact OD2-NE2 3.42Å; T475-H509 HydrophobicContact CG2-CB 4.42Å; A476-H509 CarbonylContact O-C 3.55Å; A476-H509 WeakPolarHBondContact O-CA 3.5Å; F477-H509 HydrophobicContact CD1-CB 3.91Å; F477-H509 HydrophobicContact CE1-CB 4.04Å; F477-H509 HydrophobicContact CG-CB 4.33Å; W494-H509 AromaticContact CZ2-CE1 3.66Å; W494-H509 AromaticContact CZ2-NE2 3.58Å; T507-H509 PolarHBondContact O-N 2.98Å; T507-H509 PolarHBondContact O-ND1 3.3Å
510	A	95.3	Very high	93.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.8	-176.8	0	0	0	0	0	110.6	Y299 Y436 P438 T475 A476 I478	Y299-A510 HydrophobicContact CD2-CB 3.59Å; Y299-A510 HydrophobicContact CE2-CB 3.38Å; Y436-A510 CarbonylContact O-C 3.49Å; Y436-A510 WeakPolarHBondContact O-CA 3.33Å; Y436-A510 WeakPolarHBondContact O-CB 3.49Å; P438-A510 HydrophobicContact CB-CB 4.46Å; P438-A510 HydrophobicContact CG-CB 3.91Å; T475-A510 CarbonylContact C-O 3.46Å; T475-A510 WeakPolarHBondContact CA-O 3.43Å; A476-A510 PolarHBondContact N-O 2.85Å; A476-A510 PolarHBondContact O-N 2.99Å; I478-A510 HydrophobicContact CD1-CB 4.27Å
511	G	95.4	Very high	94.2	Very high	6 Å²	6	23.2 Å²	23.2	6%	0.062	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107.7	167.1	0	0	0	0	0	109.1	H435 Y436	H435-G511 WeakPolarHBondContact CA-O 3.26Å; H435-G511 WeakPolarHBondContact CB-O 3.48Å; Y436-G511 PolarHBondContact N-O 3.47Å; Y436-G511 PolarHBondContact O-N 2.78Å
512	C	95.9	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-56.2	149.8	175.7	-69.1	0	0	0	0	111	C303 G473 S474 V514	C303-C512 WeakPolarHBondContact CA-SG 3.45Å; C303-C512 HydrophobicContact CB-CB 3.74Å; C303-C512 WeakPolarHBondContact CB-SG 3.19Å; C303-C512 VanDerWaalsContact SG-CA 3.58Å; C303-C512 WeakPolarHBondContact SG-CB 3.4Å; C303-C512 CovalentContact SG-SG 2.04Å; C303-C512 PolarHBondContact SG-SG 3.26Å; G473-C512 WeakPolarHBondContact CA-O 3.48Å; S474-C512 VanDerWaalsContact O-CB 3.28Å; S474-C512 WeakPolarHBondContact O-CB 3.26Å; S474-C512 PolarHBondContact O-N 3.28Å; S474-C512 PolarHBondContact OG-SG 3.43Å; S474-C512 VanDerWaalsContact OG-SG 3.33Å; C512-V514 PolarHBondContact O-N 3Å
513	P	95.7	Very high	94.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-60.6	136.3	-179.9	-19.6	33.4	0	0	0	110.6	R142 L143 V146 Y147 Y299 G434 H435 G473 L515	R142-P513 HydrophobicContact CG-CG 4.12Å; L143-P513 HydrophobicContact CD2-CB 3.73Å; V146-P513 HydrophobicContact CB-CG 4.05Å; V146-P513 HydrophobicContact CG1-CG 4.03Å; V146-P513 HydrophobicContact CG2-CG 3.82Å; Y147-P513 HydrophobicContact CE2-CB 4.27Å; Y147-P513 PolarHBondContact OH-O 2.98Å; Y299-P513 WeakPolarHBondContact OH-CD 3.46Å; G434-P513 VanDerWaalsContact O-CA 3.3Å; G434-P513 WeakPolarHBondContact O-CA 3.15Å; H435-P513 HydrophobicContact CB-CB 4.1Å; H435-P513 HydrophobicContact CB-CG 3.89Å; G473-P513 PolarHBondContact N-O 2.72Å; P513-L515 PolarHBondContact O-N 3.17Å
514	V	94.6	Very high	95	Very high	7 Å²	7	16 Å²	16	4%	0.042	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	119.7	172.7	-177.3	0	0	0	0	108.3	L143 Y430 G434 V469 C512 G517 K519	L143-V514 WeakPolarHBondContact CD2-O 3.28Å; Y430-V514 HydrophobicContact CG-CG2 4.45Å; G434-V514 PolarHBondContact O-N 3.27Å; V469-V514 HydrophobicContact CG1-CG1 4.07Å; C512-V514 PolarHBondContact O-N 3Å; V514-G517 WeakPolarHBondContact CG1-O 3.34Å; V514-K519 HydrophobicContact CG2-CB 3.48Å; V514-K519 VanDerWaalsContact CG2-CB 3.48Å; V514-K519 HydrophobicContact CG2-CD 3.85Å; V514-K519 HydrophobicContact CG2-CG 4.3Å
515	L	92.1	Very high	95.1	Very high	12 Å²	12	15.6 Å²	15.6	6%	0.063	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-55.1	179.4	-172.4	61.4	0	0	0	109.8	L143 Y147 L149 F159 V170 C171 A471 P513	L143-L515 HydrophobicContact CB-CD1 4.2Å; L143-L515 HydrophobicContact CD1-CD1 4.2Å; L143-L515 HydrophobicContact CD2-CD1 3.84Å; L143-L515 HydrophobicContact CG-CD1 4.3Å; Y147-L515 HydrophobicContact CD1-CD2 4.37Å; Y147-L515 HydrophobicContact CD2-CB 4.38Å; Y147-L515 HydrophobicContact CD2-CD1 3.78Å; Y147-L515 HydrophobicContact CD2-CD2 4.2Å; Y147-L515 HydrophobicContact CD2-CG 4.36Å; Y147-L515 HydrophobicContact CE2-CB 3.93Å; Y147-L515 HydrophobicContact CE2-CD1 4.12Å; Y147-L515 HydrophobicContact CE2-CD2 4.44Å; Y147-L515 HydrophobicContact CE2-CG 4.4Å; Y147-L515 HydrophobicContact CG-CD1 4.41Å; Y147-L515 HydrophobicContact CG-CD2 4.16Å; L149-L515 HydrophobicContact CD1-CD1 4.08Å; F159-L515 HydrophobicContact CD1-CD1 3.72Å; F159-L515 HydrophobicContact CD1-CD2 4.45Å; F159-L515 HydrophobicContact CD1-CG 4.15Å; F159-L515 HydrophobicContact CE1-CD1 3.9Å; F159-L515 HydrophobicContact CE1-CG 4.46Å; V170-L515 HydrophobicContact CG1-CD2 3.69Å; C171-L515 HydrophobicContact CB-CD2 4.46Å; C171-L515 WeakPolarHBondContact SG-CD2 3.24Å; A471-L515 HydrophobicContact CB-CB 4.09Å; A471-L515 HydrophobicContact CB-CD2 4.14Å; A471-L515 HydrophobicContact CB-CG 4.4Å; A471-L515 WeakPolarHBondContact O-CB 3.5Å; A471-L515 PolarHBondContact O-N 3.33Å; P513-L515 PolarHBondContact O-N 3.17Å
516	I	90.8	Very high	95.2	Very high	31 Å²	31	9.3 Å²	9.3	16%	0.159	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.2	176	-54.5	-66.5	0	0	0	109.8	F159 P173 V469 E470 A471	F159-I516 HydrophobicContact CE1-CD1 4.25Å; F159-I516 HydrophobicContact CE2-CD1 3.96Å; F159-I516 HydrophobicContact CZ-CD1 3.79Å; P173-I516 HydrophobicContact CB-CD1 4.14Å; P173-I516 HydrophobicContact CB-CG2 4.49Å; V469-I516 WeakPolarHBondContact CG1-O 3.41Å; E470-I516 HydrophobicContact CB-CB 4.12Å; E470-I516 HydrophobicContact CB-CG2 3.89Å; E470-I516 HydrophobicContact CG-CG2 4.2Å; E470-I516 PolarHBondContact N-O 2.94Å; E470-I516 VanDerWaalsContact OE2-CG2 3.27Å; E470-I516 WeakPolarHBondContact OE2-CG2 3.48Å; A471-I516 HydrophobicContact CB-CB 4.13Å; A471-I516 HydrophobicContact CB-CG1 4.28Å; A471-I516 PolarHBondContact N-O 3.25Å; A471-I516 PolarHBondContact O-N 3.13Å
517	G	88.9	Confident	95.2	Very high	34 Å²	34	7.6 Å²	7.6	35%	0.351	5%	0.048	S	C	.	.	E	Extended strand (participates in β ladder)	trans	111.4	-174.2	178.9	0	0	0	0	0	113.2	L30 V514	L30-G517 WeakPolarHBondContact CD1-O 3.38Å; V514-G517 WeakPolarHBondContact CG1-O 3.34Å
518	D	89.8	Confident	95.1	Very high	12 Å²	12	10.2 Å²	10.2	6%	0.064	6%	0.06	C	C	.	.			trans	-122.4	109.1	-177.9	174.9	28.6	0	0	0	109.4	L30 R34 N429 S467 W520	L30-D518 HydrophobicContact CD1-CB 4.36Å; R34-D518 IonicContact CZ-OD2 2.74Å; R34-D518 VanDerWaalsContact CZ-OD2 3.29Å; R34-D518 IonicContact NH1-OD2 3.94Å; R34-D518 PolarHBondContact NH1-OD2 3.07Å; R34-D518 IonicContact NH2-OD2 3.17Å; R34-D518 PolarHBondContact NH2-OD2 3.05Å; N429-D518 PolarHBondContact ND2-OD1 3.25Å; S467-D518 VanDerWaalsContact CB-O 3.29Å; S467-D518 WeakPolarHBondContact CB-O 3.45Å; S467-D518 PolarHBondContact OG-O 3.11Å; D518-W520 VanDerWaalsContact CG-CD1 3.49Å; D518-W520 VanDerWaalsContact CG-NE1 3.34Å; D518-W520 PolarHBondContact OD1-NE1 2.88Å; D518-W520 VanDerWaalsContact OD2-CD1 3.25Å; D518-W520 PolarHBondContact OD2-NE1 3.22Å
519	K	94.3	Very high	94.9	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	8%	0.08	C	C	.	.			trans	-91.3	118.5	-177	-171.4	177.9	173.6	-176.3	0	110.5	N429 Y430 V469 G473 V514 V521	N429-K519 PolarHBondContact ND2-O 3.08Å; Y430-K519 HydrophobicContact CD2-CB 3.8Å; Y430-K519 HydrophobicContact CD2-CD 3.69Å; Y430-K519 HydrophobicContact CD2-CG 3.67Å; Y430-K519 WeakPolarHBondContact CD2-O 3.4Å; Y430-K519 HydrophobicContact CE2-CD 3.77Å; Y430-K519 HydrophobicContact CE2-CG 4Å; Y430-K519 HydrophobicContact CG-CB 4.34Å; Y430-K519 HydrophobicContact CG-CD 4.32Å; Y430-K519 PolarHBondContact N-O 2.84Å; Y430-K519 VanDerWaalsContact N-O 3.14Å; V469-K519 HydrophobicContact CG2-CB 3.55Å; V469-K519 HydrophobicContact CG2-CD 4.41Å; V469-K519 HydrophobicContact CG2-CG 3.86Å; G473-K519 WeakPolarHBondContact O-CE 3.3Å; G473-K519 PolarHBondContact O-NZ 2.89Å; V514-K519 HydrophobicContact CG2-CB 3.48Å; V514-K519 VanDerWaalsContact CG2-CB 3.48Å; V514-K519 HydrophobicContact CG2-CD 3.85Å; V514-K519 HydrophobicContact CG2-CG 4.3Å; K519-V521 HydrophobicContact CG-CG1 4.25Å
520	W	96.7	Very high	94.7	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.011	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133	166.8	-71.6	80.2	0	0	0	110	Q31 K363 A366 Q367 L370 V427 V428 N429 L466 S467 D518	Q31-W520 HydrophobicContact CB-CH2 4.3Å; Q31-W520 HydrophobicContact CB-CZ2 3.68Å; Q31-W520 HydrophobicContact CG-CH2 4.26Å; Q31-W520 HydrophobicContact CG-CZ2 3.88Å; K363-W520 HydrophobicContact CB-CE3 4.5Å; K363-W520 HydrophobicContact CB-CZ3 4.46Å; K363-W520 HydrophobicContact CD-CB 4.25Å; K363-W520 HydrophobicContact CD-CD2 4.05Å; K363-W520 HydrophobicContact CD-CG 3.91Å; K363-W520 HydrophobicContact CG-CB 4.42Å; K363-W520 HydrophobicContact CG-CD2 3.87Å; K363-W520 HydrophobicContact CG-CE3 3.89Å; K363-W520 HydrophobicContact CG-CG 4.14Å; K363-W520 HydrophobicContact CG-CZ3 4.34Å; A366-W520 HydrophobicContact CB-CZ3 4.44Å; Q367-W520 HydrophobicContact CG-CH2 4.16Å; L370-W520 HydrophobicContact CD1-CH2 3.65Å; L370-W520 HydrophobicContact CD1-CZ3 4.08Å; L370-W520 HydrophobicContact CD2-CZ3 4.37Å; V427-W520 HydrophobicContact CG1-CE3 3.78Å; V427-W520 HydrophobicContact CG1-CZ3 3.96Å; V428-W520 VanDerWaalsContact O-CA 3.3Å; V428-W520 WeakPolarHBondContact O-CA 3.32Å; N429-W520 HydrophobicContact CB-CD2 3.8Å; N429-W520 HydrophobicContact CB-CE3 3.84Å; N429-W520 HydrophobicContact CB-CH2 4.02Å; N429-W520 HydrophobicContact CB-CZ2 3.94Å; N429-W520 HydrophobicContact CB-CZ3 3.95Å; N429-W520 VanDerWaalsContact ND2-CD1 3.34Å; N429-W520 PolarHBondContact ND2-NE1 3.41Å; L466-W520 HydrophobicContact CB-CB 3.74Å; L466-W520 HydrophobicContact CD1-CB 4.3Å; L466-W520 HydrophobicContact CG-CB 4.47Å; L466-W520 PolarHBondContact N-O 3.44Å; S467-W520 PolarHBondContact OG-N 3.43Å; D518-W520 VanDerWaalsContact CG-CD1 3.49Å; D518-W520 VanDerWaalsContact CG-NE1 3.34Å; D518-W520 PolarHBondContact OD1-NE1 2.88Å; D518-W520 VanDerWaalsContact OD2-CD1 3.25Å; D518-W520 PolarHBondContact OD2-NE1 3.22Å
521	V	97.3	Very high	94.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153	173.8	-58.7	0	0	0	0	111	V427 V428 Y430 M463 I464 Y465 K519	V427-V521 CarbonylContact C-O 3.55Å; V427-V521 WeakPolarHBondContact CA-O 3Å; V428-V521 HydrophobicContact CB-CG2 3.82Å; V428-V521 HydrophobicContact CG2-CG2 4.25Å; V428-V521 PolarHBondContact N-O 2.97Å; V428-V521 PolarHBondContact O-N 3.34Å; Y430-V521 HydrophobicContact CE2-CG2 3.94Å; M463-V521 HydrophobicContact CG-CB 3.96Å; M463-V521 HydrophobicContact CG-CG1 4.36Å; M463-V521 HydrophobicContact CG-CG2 4.48Å; M463-V521 HydrophobicContact SD-CB 3.96Å; M463-V521 HydrophobicContact SD-CG1 4.01Å; M463-V521 HydrophobicContact SD-CG2 4.08Å; I464-V521 CarbonylContact O-C 3.55Å; I464-V521 WeakPolarHBondContact O-CA 3.17Å; Y465-V521 HydrophobicContact CD1-CG1 3.87Å; Y465-V521 HydrophobicContact CE1-CG1 4.31Å; K519-V521 HydrophobicContact CG-CG1 4.25Å
522	A	97.4	Very high	94.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.3	168.7	0	0	0	0	0	110.1	L425 Q426 V427 M463 I464 L466	L425-A522 HydrophobicContact CD1-CB 3.91Å; L425-A522 HydrophobicContact CD2-CB 4.07Å; L425-A522 HydrophobicContact CG-CB 3.96Å; Q426-A522 CarbonylContact O-C 3.49Å; Q426-A522 VanDerWaalsContact O-CA 3.27Å; Q426-A522 WeakPolarHBondContact O-CA 3.41Å; V427-A522 HydrophobicContact CG2-CB 4.36Å; M463-A522 CarbonylContact C-O 3.55Å; M463-A522 WeakPolarHBondContact CA-O 3.5Å; I464-A522 HydrophobicContact CB-CB 4.38Å; I464-A522 PolarHBondContact N-O 3.21Å; I464-A522 PolarHBondContact O-N 3Å; L466-A522 HydrophobicContact CD1-CB 4.08Å; L466-A522 HydrophobicContact CD2-CB 4.22Å; L466-A522 HydrophobicContact CG-CB 4.27Å
523	N	97.3	Very high	94	Very high	14 Å²	14	28.3 Å²	28.3	8%	0.075	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.6	178.1	-65.4	-44.6	0	0	0	110.7	Q426 M463 W525	Q426-N523 HydrophobicContact CB-CB 4.31Å; Q426-N523 PolarHBondContact N-O 3.46Å; Q426-N523 PolarHBondContact O-N 3.12Å; M463-N523 VanDerWaalsContact CB-OD1 3.25Å; M463-N523 WeakPolarHBondContact CB-OD1 3.41Å; M463-N523 WeakPolarHBondContact CG-OD1 3.47Å; M463-N523 PolarHBondContact SD-OD1 3.06Å; M463-N523 VanDerWaalsContact SD-OD1 3.36Å; N523-W525 HydrophobicContact CB-CH2 4.47Å; N523-W525 HydrophobicContact CB-CZ2 4.28Å
524	K	97.8	Very high	93.6	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.017	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	110.4	167.5	-169.9	78.7	173.9	-174.2	0	108	D406 I409 V417 E423 L425 F462	D406-K524 WeakPolarHBondContact OD1-CE 3.5Å; D406-K524 IonicContact OD1-NZ 2.77Å; D406-K524 PolarHBondContact OD1-NZ 2.92Å; D406-K524 IonicContact OD2-NZ 3.86Å; D406-K524 PolarHBondContact OD2-NZ 3.15Å; D406-K524 VanDerWaalsContact OD2-NZ 3.17Å; I409-K524 HydrophobicContact CD1-CB 4.16Å; I409-K524 HydrophobicContact CD1-CG 4.18Å; V417-K524 VanDerWaalsContact O-CE 3.26Å; V417-K524 WeakPolarHBondContact O-CE 3.38Å; V417-K524 PolarHBondContact O-NZ 3.23Å; E423-K524 WeakPolarHBondContact O-CD 3.42Å; E423-K524 WeakPolarHBondContact O-CE 3.33Å; E423-K524 PolarHBondContact O-NZ 3.16Å; E423-K524 VanDerWaalsContact O-NZ 3.08Å; L425-K524 HydrophobicContact CD1-CB 4.3Å; L425-K524 HydrophobicContact CD1-CD 4.4Å; F462-K524 HydrophobicContact CB-CB 4.34Å; F462-K524 PolarHBondContact N-O 2.97Å; F462-K524 PolarHBondContact O-N 2.9Å
525	W	97.6	Very high	93.3	Very high	10 Å²	10	35.9 Å²	35.9	4%	0.038	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.5	174.9	-67.7	-62	0	0	0	110.3	W393 A422 E423 Q426 D441 R458 T461 N523	W393-W525 HydrophobicContact CH2-CE3 4.12Å; W393-W525 AromaticContact CH2-CZ3 3.58Å; W393-W525 HydrophobicContact CH2-CZ3 3.58Å; W393-W525 HydrophobicContact CZ2-CZ3 4.41Å; W393-W525 HydrophobicContact CZ3-CE3 4.33Å; W393-W525 HydrophobicContact CZ3-CZ3 4.09Å; A422-W525 CarbonylContact C-O 3.55Å; A422-W525 VanDerWaalsContact CA-O 3.23Å; A422-W525 WeakPolarHBondContact CA-O 3.39Å; A422-W525 VanDerWaalsContact CB-O 3.28Å; A422-W525 WeakPolarHBondContact CB-O 3.4Å; E423-W525 HydrophobicContact CB-CB 4.47Å; E423-W525 HydrophobicContact CG-CB 4.21Å; E423-W525 PolarHBondContact N-O 2.87Å; Q426-W525 HydrophobicContact CB-CZ3 4.09Å; Q426-W525 HydrophobicContact CG-CZ3 4.48Å; Q426-W525 VanDerWaalsContact OE1-CH2 3.27Å; D441-W525 PolarHBondContact OD1-NE1 3.03Å; D441-W525 VanDerWaalsContact OD1-NE1 3.12Å; D441-W525 PolarHBondContact OD2-NE1 3.19Å; R458-W525 HydrophobicContact CG-CB 4.03Å; R458-W525 HydrophobicContact CG-CG 4.45Å; R458-W525 VanDerWaalsContact CZ-CD2 3.48Å; T461-W525 VanDerWaalsContact OG1-CD1 3.29Å; N523-W525 HydrophobicContact CB-CH2 4.47Å; N523-W525 HydrophobicContact CB-CZ2 4.28Å
526	I	97.3	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.9	-175.6	-52.9	167.8	0	0	0	108	L415 V417 A422 R458 M459 A460	L415-I526 HydrophobicContact CB-CD1 4.35Å; L415-I526 HydrophobicContact CB-CG2 4.19Å; L415-I526 HydrophobicContact CD1-CB 4.47Å; L415-I526 HydrophobicContact CD1-CD1 3.71Å; L415-I526 HydrophobicContact CD1-CG2 4.02Å; V417-I526 HydrophobicContact CG1-CD1 3.64Å; V417-I526 HydrophobicContact CG1-CG1 3.93Å; A422-I526 HydrophobicContact CB-CG1 4.26Å; R458-I526 CarbonylContact C-O 3.58Å; R458-I526 WeakPolarHBondContact CA-O 3.32Å; M459-I526 HydrophobicContact CG-CG2 4.39Å; M459-I526 WeakPolarHBondContact CG-O 3.24Å; M459-I526 PolarHBondContact N-O 2.94Å; A460-I526 HydrophobicContact CB-CB 4.42Å; A460-I526 PolarHBondContact N-O 3.04Å; A460-I526 PolarHBondContact O-N 3.41Å
527	H	95.7	Very high	92.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	163.2	-174.8	-70.4	-104.6	0	0	0	113	Y421 E423 T455 G456 N457 Q531	Y421-H527 WeakPolarHBondContact O-CB 3.21Å; Y421-H527 PolarHBondContact O-N 3.2Å; E423-H527 VanDerWaalsContact CG-NE2 3.25Å; E423-H527 WeakPolarHBondContact CG-NE2 3.47Å; E423-H527 IonicContact OE1-CE1 3.91Å; E423-H527 IonicContact OE1-NE2 2.7Å; E423-H527 PolarHBondContact OE1-NE2 3.29Å; T455-H527 WeakPolarHBondContact O-CB 3.41Å; T455-H527 PolarHBondContact OG1-CE1 3.43Å; T455-H527 PolarHBondContact OG1-ND1 3.05Å; G456-H527 PolarHBondContact O-ND1 3.43Å; G456-H527 VanDerWaalsContact O-ND1 3.16Å; N457-H527 CarbonylContact O-C 3.56Å; N457-H527 VanDerWaalsContact O-CA 3.26Å; N457-H527 WeakPolarHBondContact O-CA 3.45Å; H527-Q531 VanDerWaalsContact O-CG 3.27Å; H527-Q531 WeakPolarHBondContact O-CG 3.34Å
528	E	93.6	Very high	92.4	Very high	55 Å²	55	47 Å²	47	26%	0.257	22%	0.223	S	C	.	.	S	Bend	trans	-59.4	-44.4	178.6	-73.5	178	117.3	0	0	114.1	N457 M459 L497	N457-E528 VanDerWaalsContact CB-OE2 3.27Å; N457-E528 WeakPolarHBondContact CB-OE2 3.35Å; N457-E528 PolarHBondContact N-OE2 3.19Å; N457-E528 PolarHBondContact O-N 3.11Å; M459-E528 HydrophobicContact CB-CG 3.98Å; M459-E528 VanDerWaalsContact CE-CA 3.47Å; M459-E528 HydrophobicContact CE-CB 4.38Å; M459-E528 HydrophobicContact CE-CG 4.38Å; L497-E528 VanDerWaalsContact CD1-CD 3.4Å; L497-E528 HydrophobicContact CD1-CG 3.53Å; L497-E528 WeakPolarHBondContact CD1-OE1 3.38Å
529	Y	93.2	Very high	92.2	Very high	126 Å²	126	55.1 Å²	55.1	49%	0.494	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	146.7	-174.9	-66.8	3.5	0	0	0	111	Y421 R454 T455 Q531	Y421-Y529 WeakPolarHBondContact CD1-O 3.4Å; R454-Y529 VanDerWaalsContact O-CD2 3.26Å; R454-Y529 WeakPolarHBondContact O-CD2 3.49Å; R454-Y529 VanDerWaalsContact O-CE2 3.29Å; R454-Y529 WeakPolarHBondContact O-CE2 3.36Å; T455-Y529 VanDerWaalsContact C-CG 3.46Å; T455-Y529 VanDerWaalsContact O-CB 3.28Å; T455-Y529 WeakPolarHBondContact O-CB 3.3Å; T455-Y529 VanDerWaalsContact O-CG 3.29Å; T455-Y529 PolarHBondContact O-N 3.33Å; Y529-Q531 VanDerWaalsContact C-N 3.29Å
530	G	91.6	Very high	91.8	Very high	16 Å²	16	58.1 Å²	58.1	17%	0.165	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	7.1	-174.8	0	0	0	0	0	114.2	E532	G530-E532 VanDerWaalsContact C-OE2 3.26Å; G530-E532 WeakPolarHBondContact CA-OE2 3.4Å; G530-E532 PolarHBondContact N-OE1 2.86Å; G530-E532 PolarHBondContact N-OE2 3.26Å; G530-E532 VanDerWaalsContact N-OE2 3.15Å
531	Q	94.2	Very high	90.9	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	31%	0.31	C	S	.	.			trans	-117.9	10.6	177.8	-42.7	-54.4	-34.7	0	0	112.7	L415 N416 M459 H527 Y529 F533 E534 R535	L415-Q531 HydrophobicContact CD2-CB 4.36Å; L415-Q531 HydrophobicContact CD2-CG 4.27Å; N416-Q531 PolarHBondContact O-NE2 2.94Å; M459-Q531 HydrophobicContact CE-CB 3.47Å; M459-Q531 VanDerWaalsContact CE-CB 3.47Å; M459-Q531 HydrophobicContact CE-CG 3.45Å; M459-Q531 VanDerWaalsContact CE-CG 3.45Å; M459-Q531 HydrophobicContact SD-CB 4.23Å; M459-Q531 HydrophobicContact SD-CG 3.88Å; H527-Q531 VanDerWaalsContact O-CG 3.27Å; H527-Q531 WeakPolarHBondContact O-CG 3.34Å; Y529-Q531 VanDerWaalsContact C-N 3.29Å; Q531-F533 PolarHBondContact O-N 3.16Å; Q531-F533 VanDerWaalsContact O-N 3.1Å; Q531-E534 PolarHBondContact O-N 3.48Å; Q531-R535 PolarHBondContact O-N 3.46Å
532	E	89.1	Confident	90	Very high	112 Å²	112	68.9 Å²	68.9	52%	0.523	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.5	-169.2	-60.9	79.4	-175.8	0	0	112.4	G530	G530-E532 VanDerWaalsContact C-OE2 3.26Å; G530-E532 WeakPolarHBondContact CA-OE2 3.4Å; G530-E532 PolarHBondContact N-OE1 2.86Å; G530-E532 PolarHBondContact N-OE2 3.26Å; G530-E532 VanDerWaalsContact N-OE2 3.15Å
533	F	88.5	Confident	88.7	Confident	156 Å²	156	73.7 Å²	73.7	68%	0.684	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-21.1	178	-60.1	-65.3	0	0	0	113.8	Q531	Q531-F533 PolarHBondContact O-N 3.16Å; Q531-F533 VanDerWaalsContact O-N 3.1Å
534	E	88.3	Confident	88.3	Confident	126 Å²	126	76.7 Å²	76.7	59%	0.589	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-37.8	-177.8	-52.9	-50.3	152.3	0	0	111.8	G414 L415 Q531	G414-E534 WeakPolarHBondContact O-CB 3.43Å; L415-E534 HydrophobicContact CD2-CB 4.37Å; Q531-E534 PolarHBondContact O-N 3.48Å
535	R	88.7	Confident	87.8	Confident	39 Å²	39	80.5 Å²	80.5	15%	0.147	40%	0.396	C	S	.	.	S	Bend	trans	-126.2	76.9	178.6	-166.7	-175	-172.3	-158	-5.2	111.2	L415 M459 W495 L497 Q531	L415-R535 HydrophobicContact CD2-CB 4.35Å; M459-R535 PolarHBondContact O-NH1 3.12Å; W495-R535 VanDerWaalsContact CD2-CZ 3.48Å; W495-R535 HydrophobicContact CH2-CG 4.37Å; W495-R535 HydrophobicContact CZ3-CG 4.49Å; L497-R535 PolarHBondContact O-NH1 3.31Å; L497-R535 PolarHBondContact O-NH2 3.07Å; Q531-R535 PolarHBondContact O-N 3.46Å
536	R	86	Confident	87.3	Confident	172 Å²	172	84.4 Å²	84.4	65%	0.649	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-65	141.7	179.3	-59.1	-177.7	-172.7	-173.3	-0.2	112	R499	R499-R536 PolarHBondContact NH1-O 3.47Å
537	C	83.6	Confident	86.7	Confident	100 Å²	100	89.4 Å²	89.4	68%	0.676	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-56.7	149.1	170.5	-53.3	0	0	0	0	110.8
538	S	82.7	Confident	86.1	Confident	39 Å²	39	95 Å²	95	27%	0.273	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-73.6	161.3	170.1	-170.6	0	0	0	0	110.7	N540 E543	S538-N540 PolarHBondContact OG-N 3.26Å; S538-N540 VanDerWaalsContact OG-N 3.16Å; S538-E543 VanDerWaalsContact CB-OE2 3.25Å; S538-E543 WeakPolarHBondContact CB-OE2 3.45Å; S538-E543 PolarHBondContact OG-OE2 2.88Å
539	L	86.1	Confident	85.6	Confident	182 Å²	182	97.7 Å²	97.7	95%	0.953	48%	0.482	S	S	*	.	S	Bend	trans	-73.9	-16.6	165.1	-63.1	178	0	0	0	111.6
540	N	85.4	Confident	85.1	Confident	65 Å²	65	95.6 Å²	95.6	35%	0.348	48%	0.481	S	S	.	.	S	Bend	trans	-86.2	119.9	173.5	-177.7	-3.2	0	0	0	109.7	S538 E542 E543	S538-N540 PolarHBondContact OG-N 3.26Å; S538-N540 VanDerWaalsContact OG-N 3.16Å; N540-E542 PolarHBondContact O-N 3.13Å; N540-E542 PolarHBondContact OD1-N 3.02Å; N540-E542 VanDerWaalsContact OD1-N 3.08Å; N540-E543 HydrophobicContact CB-CB 4.06Å; N540-E543 HydrophobicContact CB-CG 4.01Å; N540-E543 PolarHBondContact ND2-OE1 3.2Å; N540-E543 PolarHBondContact O-N 3.4Å
541	P	78.6	Confident	84.6	Confident	95 Å²	95	101.8 Å²	101.8	62%	0.617	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15	-178.4	29	-35.8	0	0	0	114	N500	N500-P541 WeakPolarHBondContact CB-O 3.42Å; N500-P541 PolarHBondContact ND2-O 3.14Å
542	E	77.7	Confident	83.8	Confident	134 Å²	134	110.1 Å²	110.1	63%	0.626	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.2	179.5	-58.5	-60	153.3	0	0	113.5	N540	N540-E542 PolarHBondContact O-N 3.13Å; N540-E542 PolarHBondContact OD1-N 3.02Å; N540-E542 VanDerWaalsContact OD1-N 3.08Å
543	E	70.4	Confident	83.3	Confident	101 Å²	101	109.9 Å²	109.9	47%	0.472	55%	0.548	S	S	.	.			trans	-86.8	0	-177.8	-90.2	170.7	-146.5	0	0	114.3	R498 R499 N500 S538 N540	R498-E543 WeakPolarHBondContact CB-OXT 3.45Å; R499-E543 CarbonylContact C-O 3.55Å; R499-E543 VanDerWaalsContact C-O 3.28Å; R499-E543 WeakPolarHBondContact CA-O 3.46Å; R499-E543 VanDerWaalsContact CB-O 3.3Å; R499-E543 WeakPolarHBondContact CB-O 3.24Å; R499-E543 WeakPolarHBondContact CB-OXT 3.37Å; R499-E543 VanDerWaalsContact N-C 3.26Å; R499-E543 PolarHBondContact N-O 3.3Å; R499-E543 VanDerWaalsContact N-O 3.07Å; R499-E543 PolarHBondContact N-OXT 3.42Å; N500-E543 WeakPolarHBondContact CB-O 3.36Å; N500-E543 PolarHBondContact N-O 3.26Å; S538-E543 VanDerWaalsContact CB-OE2 3.25Å; S538-E543 WeakPolarHBondContact CB-OE2 3.45Å; S538-E543 PolarHBondContact OG-OE2 2.88Å; N540-E543 HydrophobicContact CB-CB 4.06Å; N540-E543 HydrophobicContact CB-CG 4.01Å; N540-E543 PolarHBondContact ND2-OE1 3.2Å; N540-E543 PolarHBondContact O-N 3.4Å

Retrieved 543 of 543 residues in 757.5 ms (Link to these results)

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