A0A087Y5B2_POEFO Loading...

Phospholipase B-like

Putative phospholipase.

AlphaFold DB , UniProt , Accession A0A087Y5B2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 538 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.9	Very low	34.3	Very low	240 Å²	240	170.4 Å²	170.4	100%	1.182	84%	0.838	S	S	*	*				0	90.7	0	-162	174.4	87.6	0	0	107.6
2	L	34.1	Very low	33.9	Very low	175 Å²	175	163.8 Å²	163.8	92%	0.916	82%	0.822	S	S	*	*			trans	-145.4	104.5	176.2	-104.4	132.3	0	0	0	106.1
3	L	35	Very low	33.7	Very low	171 Å²	171	159.8 Å²	159.8	90%	0.895	81%	0.81	S	S	*	*			trans	-88.5	105.9	-176.5	-145.4	92.9	0	0	0	107.4	M5	L3-M5 PolarHBondContact O-N 2.66Å
4	T	37	Very low	33.4	Very low	138 Å²	138	159.6 Å²	159.6	85%	0.847	80%	0.804	S	S	*	*			trans	-77.1	104.3	173.3	35.1	0	0	0	0	110.1	K6	T4-K6 PolarHBondContact O-N 3.26Å
5	M	34.5	Very low	33.2	Very low	165 Å²	165	156.2 Å²	156.2	81%	0.813	80%	0.795	S	S	*	*			trans	-66.4	120.8	167.4	-98.8	173.2	64.8	0	0	110.2	L3	L3-M5 PolarHBondContact O-N 2.66Å
6	K	34.3	Very low	33	Very low	179 Å²	179	154 Å²	154	78%	0.778	79%	0.791	S	S	*	*			trans	-84.7	115.7	164.7	-78.1	-176.1	175.3	-178.3	0	108.9	T4	T4-K6 PolarHBondContact O-N 3.26Å
7	L	31.1	Very low	32.8	Very low	141 Å²	141	150.5 Å²	150.5	74%	0.738	78%	0.778	S	S	*	*			trans	-82.5	117.3	173.4	-161.7	79.5	0	0	0	108.6	I9	L7-I9 HydrophobicContact CD2-CG1 4.34Å
8	Y	31.6	Very low	32.7	Very low	193 Å²	193	149 Å²	149	76%	0.757	78%	0.777	S	S	*	*			trans	-89.7	110	171.2	-74.5	-85	0	0	0	108.9
9	I	33.6	Very low	32.7	Very low	134 Å²	134	151.5 Å²	151.5	69%	0.687	78%	0.782	S	S	*	*			trans	-85	109.5	171.7	-64.5	172.2	0	0	0	107.3	L7 L11	L7-I9 HydrophobicContact CD2-CG1 4.34Å; I9-L11 HydrophobicContact CG2-CD1 4.44Å; I9-L11 PolarHBondContact O-N 3.19Å
10	F	31.2	Very low	32.9	Very low	193 Å²	193	148.5 Å²	148.5	85%	0.846	78%	0.78	S	S	*	*			trans	-76.9	105.7	166.9	-92.6	-90.5	0	0	0	108.6	S12	F10-S12 PolarHBondContact O-N 2.74Å
11	L	29.7	Very low	33.2	Very low	145 Å²	145	145.4 Å²	145.4	76%	0.759	78%	0.777	S	S	*	*			trans	-80.6	101.6	172.3	-144.8	92.2	0	0	0	108.3	I9 V13	I9-L11 HydrophobicContact CG2-CD1 4.44Å; I9-L11 PolarHBondContact O-N 3.19Å; L11-V13 HydrophobicContact CD2-CG2 4.35Å; L11-V13 PolarHBondContact O-N 3.17Å; L11-V13 VanDerWaalsContact O-N 3.14Å
12	S	29.9	Very low	33.2	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	76%	0.755	S	S	*	*			trans	-78.5	90.9	172.4	49.2	0	0	0	0	109.8	F10 H14	F10-S12 PolarHBondContact O-N 2.74Å; S12-H14 PolarHBondContact O-N 3.16Å; S12-H14 PolarHBondContact O-ND1 3Å; S12-H14 VanDerWaalsContact O-ND1 3.15Å
13	V	31.7	Very low	34.4	Very low	111 Å²	111	134.6 Å²	134.6	67%	0.673	74%	0.737	S	S	*	*			trans	-65.1	100.3	171.3	179.7	0	0	0	0	108.4	L11 V15	L11-V13 HydrophobicContact CD2-CG2 4.35Å; L11-V13 PolarHBondContact O-N 3.17Å; L11-V13 VanDerWaalsContact O-N 3.14Å; V13-V15 HydrophobicContact CG1-CG2 4.1Å; V13-V15 PolarHBondContact O-N 2.86Å
14	H	29.1	Very low	36.5	Very low	157 Å²	157	133.2 Å²	133.2	73%	0.727	72%	0.724	S	S	*	*			trans	-76.2	99	165.8	-74.3	56	0	0	0	107	S12 V16	S12-H14 PolarHBondContact O-N 3.16Å; S12-H14 PolarHBondContact O-ND1 3Å; S12-H14 VanDerWaalsContact O-ND1 3.15Å; H14-V16 VanDerWaalsContact C-N 3.33Å; H14-V16 PolarHBondContact O-N 3.17Å
15	V	29.7	Very low	39	Very low	109 Å²	109	132.1 Å²	132.1	66%	0.661	71%	0.71	S	S	*	*			trans	-67.2	98.2	166.4	179.7	0	0	0	0	106.4	V13 T17	V13-V15 HydrophobicContact CG1-CG2 4.1Å; V13-V15 PolarHBondContact O-N 2.86Å; V15-T17 VanDerWaalsContact C-N 3.29Å; V15-T17 HydrophobicContact CG1-CG2 4.03Å; V15-T17 PolarHBondContact O-N 2.73Å
16	V	31.2	Very low	41.9	Very low	121 Å²	121	126.6 Å²	126.6	73%	0.733	69%	0.686	S	S	*	*			trans	-69.4	96.9	162.8	178.5	0	0	0	0	105.5	H14 T18	H14-V16 VanDerWaalsContact C-N 3.33Å; H14-V16 PolarHBondContact O-N 3.17Å; V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 2.52Å
17	T	28.7	Very low	44.9	Very low	94 Å²	94	118.6 Å²	118.6	58%	0.577	65%	0.653	S	S	*	*			trans	-67.1	94.3	166.5	45.1	0	0	0	0	107.4	V15 F19	V15-T17 VanDerWaalsContact C-N 3.29Å; V15-T17 HydrophobicContact CG1-CG2 4.03Å; V15-T17 PolarHBondContact O-N 2.73Å; T17-F19 PolarHBondContact O-N 2.72Å; T17-F19 VanDerWaalsContact O-N 3.08Å
18	T	32.1	Very low	48	Very low	124 Å²	124	112 Å²	112	76%	0.761	62%	0.619	S	S	*	*			trans	-63.1	104.2	158.3	38.3	0	0	0	0	106.7	V16 A20	V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 2.52Å; T18-A20 PolarHBondContact O-N 2.92Å
19	F	32.3	Very low	51.2	Low	196 Å²	196	102.9 Å²	102.9	86%	0.86	58%	0.583	S	S	*	*			trans	-66.4	85.7	164.5	-76.4	-84.9	0	0	0	107.3	T17 A21	T17-F19 PolarHBondContact O-N 2.72Å; T17-F19 VanDerWaalsContact O-N 3.08Å; F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 2.99Å
20	A	35.6	Very low	54.3	Low	91 Å²	91	96.5 Å²	96.5	75%	0.752	55%	0.55	S	S	*	*			trans	-64.3	102.5	153.7	0	0	0	0	0	105.2	T18 A22	T18-A20 PolarHBondContact O-N 2.92Å; A20-A22 PolarHBondContact O-N 2.81Å
21	A	39.8	Very low	57.4	Low	85 Å²	85	90 Å²	90	70%	0.702	52%	0.52	S	S	*	.			trans	-57	111.6	168.4	0	0	0	0	0	106.4	F19 D23	F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 2.99Å; A21-D23 PolarHBondContact O-N 3.21Å
22	A	44.6	Very low	60.5	Low	89 Å²	89	85.7 Å²	85.7	74%	0.736	49%	0.494	S	S	*	.			trans	-57.5	135.8	172.5	0	0	0	0	0	108.1	A20 K24	A20-A22 PolarHBondContact O-N 2.81Å; A22-K24 PolarHBondContact O-N 3.33Å
23	D	60.3	Low	63.5	Low	99 Å²	99	83.3 Å²	83.3	53%	0.529	47%	0.474	S	S	.	.			trans	-48.1	117.2	176.6	-62.7	-37.7	0	0	0	108.9	A21 T59 S62	A21-D23 PolarHBondContact O-N 3.21Å; D23-T59 HydrophobicContact CB-CG2 3.98Å; D23-S62 PolarHBondContact OD1-OG 3.48Å
24	K	77.4	Confident	66.2	Low	142 Å²	142	84.9 Å²	84.9	62%	0.617	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	99	-172.5	-169.5	-178.1	178.3	-176	0	108.9	A22 T26 D58	A22-K24 PolarHBondContact O-N 3.33Å; K24-T26 HydrophobicContact CD-CG2 4.43Å; K24-T26 HydrophobicContact CG-CG2 4.3Å; K24-D58 PolarHBondContact O-N 2.86Å
25	M	89.7	Confident	69	Low	115 Å²	115	86.3 Å²	86.3	57%	0.567	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.7	167.6	-171	177.5	72.1	0	0	109.3	Y55 L56	M25-Y55 HydrophobicContact CG-CD2 3.94Å; M25-Y55 HydrophobicContact CG-CG 4.4Å; M25-Y55 HydrophobicContact SD-CD2 4.15Å; M25-Y55 HydrophobicContact SD-CG 4.45Å; M25-L56 WeakPolarHBondContact CA-O 3.19Å
26	T	95.4	Very high	71.9	Confident	49 Å²	49	87.2 Å²	87.2	30%	0.301	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.5	169.5	46.8	0	0	0	0	109.7	K24 Y55 L56 L95	K24-T26 HydrophobicContact CD-CG2 4.43Å; K24-T26 HydrophobicContact CG-CG2 4.3Å; T26-Y55 CarbonylContact O-C 3.57Å; T26-Y55 WeakPolarHBondContact O-CA 3.4Å; T26-Y55 WeakPolarHBondContact O-CB 3.38Å; T26-L56 PolarHBondContact N-O 3.02Å; T26-L56 PolarHBondContact O-N 2.88Å; T26-L95 VanDerWaalsContact O-CD2 3.24Å; T26-L95 WeakPolarHBondContact O-CD2 3.41Å
27	A	97.5	Very high	74.8	Confident	11 Å²	11	89 Å²	89	9%	0.091	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.1	177.9	0	0	0	0	0	110.8	G44 M46 G54	A27-G44 WeakPolarHBondContact O-CA 3.48Å; A27-G44 PolarHBondContact O-N 2.75Å; A27-M46 HydrophobicContact CB-CG 3.66Å; A27-M46 HydrophobicContact CB-SD 4.22Å; A27-G54 WeakPolarHBondContact CA-O 3.3Å
28	V	98	Very high	77.9	Confident	3 Å²	3	89.1 Å²	89.1	2%	0.018	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.1	172.2	-60.6	0	0	0	0	111.6	L41 K42 E43 V45 Y53 G54 V91 F94 L95	V28-L41 HydrophobicContact CB-CD1 3.73Å; V28-L41 HydrophobicContact CG1-CD1 3.97Å; V28-L41 HydrophobicContact CG2-CD1 4.35Å; V28-K42 WeakPolarHBondContact CA-O 3.42Å; V28-E43 HydrophobicContact CG1-CG 4.33Å; V28-V45 CarbonylContact C-O 3.28Å; V28-V45 VanDerWaalsContact C-O 3.28Å; V28-Y53 CarbonylContact O-C 3.58Å; V28-Y53 VanDerWaalsContact O-CA 3.25Å; V28-Y53 WeakPolarHBondContact O-CA 3.36Å; V28-Y53 WeakPolarHBondContact O-CB 3.37Å; V28-G54 PolarHBondContact N-O 3.09Å; V28-G54 PolarHBondContact O-N 3.28Å; V28-V91 HydrophobicContact CG2-CB 4.31Å; V28-V91 HydrophobicContact CG2-CG1 3.78Å; V28-V91 HydrophobicContact CG2-CG2 4.21Å; V28-F94 HydrophobicContact CG1-CD1 3.72Å; V28-F94 HydrophobicContact CG1-CE1 3.95Å; V28-L95 HydrophobicContact CB-CD2 4.38Å; V28-L95 HydrophobicContact CG1-CD2 3.83Å; V28-L95 HydrophobicContact CG1-CG 4.39Å; V28-L95 HydrophobicContact CG2-CD1 3.92Å; V28-L95 HydrophobicContact CG2-CD2 3.91Å; V28-L95 HydrophobicContact CG2-CG 3.7Å
29	T	98.1	Very high	81	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141	170.1	-83	0	0	0	0	108.6	Y31 K42 V45 M46 E47 S50 Y53	T29-Y31 HydrophobicContact CG2-CD2 4.06Å; T29-Y31 HydrophobicContact CG2-CE2 3.45Å; T29-Y31 VanDerWaalsContact CG2-CE2 3.45Å; T29-K42 PolarHBondContact N-O 2.97Å; T29-K42 PolarHBondContact O-N 2.78Å; T29-V45 PolarHBondContact N-O 3.06Å; T29-V45 PolarHBondContact OG1-O 2.88Å; T29-M46 WeakPolarHBondContact OG1-CA 3.23Å; T29-E47 HydrophobicContact CG2-CB 4.11Å; T29-E47 HydrophobicContact CG2-CG 4.45Å; T29-E47 PolarHBondContact OG1-N 3.21Å; T29-S50 WeakPolarHBondContact CG2-OG 3.5Å; T29-Y53 WeakPolarHBondContact OG1-CB 3.37Å
30	V	97.6	Very high	84	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.2	173.6	-60.8	0	0	0	0	112.4	V39 V40 L41 D51 A52 L87 Y90 V91	V30-V39 HydrophobicContact CB-CG1 3.76Å; V30-V39 HydrophobicContact CG1-CG1 3.82Å; V30-V40 WeakPolarHBondContact CA-O 3.22Å; V30-L41 HydrophobicContact CG1-CB 4.37Å; V30-L41 HydrophobicContact CG1-CD1 3.7Å; V30-D51 PolarHBondContact O-N 3.34Å; V30-A52 HydrophobicContact CG2-CB 3.69Å; V30-A52 PolarHBondContact N-O 3.49Å; V30-A52 PolarHBondContact O-N 3.42Å; V30-L87 HydrophobicContact CG2-CB 4.02Å; V30-L87 HydrophobicContact CG2-CD2 4.09Å; V30-Y90 HydrophobicContact CG1-CD1 3.8Å; V30-Y90 HydrophobicContact CG1-CE1 4Å; V30-V91 HydrophobicContact CB-CG2 4.4Å; V30-V91 HydrophobicContact CG1-CG2 3.98Å; V30-V91 HydrophobicContact CG2-CG2 3.56Å
31	Y	96.8	Very high	87	Confident	57 Å²	57	75.4 Å²	75.4	22%	0.224	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.3	170.1	-62.6	-91.6	0	0	0	110.2	T29 V40 K42 E47 D51	T29-Y31 HydrophobicContact CG2-CD2 4.06Å; T29-Y31 HydrophobicContact CG2-CE2 3.45Å; T29-Y31 VanDerWaalsContact CG2-CE2 3.45Å; Y31-V40 PolarHBondContact N-O 3.18Å; Y31-V40 PolarHBondContact O-N 2.88Å; Y31-K42 HydrophobicContact CE2-CD 4.27Å; Y31-E47 VanDerWaalsContact CE2-OE2 3.22Å; Y31-E47 WeakPolarHBondContact CE2-OE2 3.27Å; Y31-E47 VanDerWaalsContact CZ-OE2 3.27Å; Y31-E47 PolarHBondContact OH-OE2 2.95Å; Y31-D51 VanDerWaalsContact CA-OD2 3.26Å; Y31-D51 WeakPolarHBondContact CA-OD2 3.28Å
32	W	96	Very high	89.7	Confident	55 Å²	55	75.2 Å²	75.2	21%	0.208	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113	168.4	179.7	-115.7	0	0	0	110.7	Q34 K37 V39 D51 M83 L87	W32-Q34 PolarHBondContact O-N 3.41Å; W32-K37 HydrophobicContact CH2-CB 4.03Å; W32-K37 WeakPolarHBondContact CH2-O 3.34Å; W32-K37 HydrophobicContact CZ2-CB 4.06Å; W32-K37 HydrophobicContact CZ2-CG 4.47Å; W32-V39 HydrophobicContact CE3-CG2 4.31Å; W32-V39 HydrophobicContact CZ3-CG2 4.37Å; W32-D51 PolarHBondContact N-OD2 3.48Å; W32-M83 HydrophobicContact CB-CG 4.29Å; W32-M83 HydrophobicContact CB-SD 4.37Å; W32-M83 HydrophobicContact CD2-CE 3.6Å; W32-M83 HydrophobicContact CD2-CG 4.32Å; W32-M83 HydrophobicContact CD2-SD 3.59Å; W32-M83 VanDerWaalsContact CD2-SD 3.59Å; W32-M83 VanDerWaalsContact CE2-CE 3.42Å; W32-M83 HydrophobicContact CE3-CE 3.84Å; W32-M83 HydrophobicContact CE3-SD 3.63Å; W32-M83 HydrophobicContact CG-CE 4.24Å; W32-M83 HydrophobicContact CG-CG 4.04Å; W32-M83 HydrophobicContact CG-SD 3.92Å; W32-M83 HydrophobicContact CH2-CE 3.78Å; W32-M83 HydrophobicContact CZ2-CE 3.53Å; W32-M83 HydrophobicContact CZ3-CE 3.93Å; W32-M83 HydrophobicContact CZ3-SD 4.14Å; W32-L87 HydrophobicContact CB-CD1 4.11Å
33	D	92.7	Very high	92.2	Very high	41 Å²	41	76 Å²	76	22%	0.219	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	106.5	169.3	-174.2	-26.7	0	0	0	109.2	E35 Q36 K37 L38 V40	D33-E35 PolarHBondContact OD1-N 2.99Å; D33-Q36 HydrophobicContact CB-CB 4.38Å; D33-Q36 PolarHBondContact OD1-N 2.9Å; D33-Q36 WeakPolarHBondContact OD2-CG 3.09Å; D33-K37 WeakPolarHBondContact O-CA 3.35Å; D33-K37 PolarHBondContact O-N 2.73Å; D33-L38 PolarHBondContact N-O 3.18Å; D33-L38 PolarHBondContact O-N 2.91Å; D33-V40 HydrophobicContact CB-CG2 3.97Å
34	Q	87.8	Confident	93.8	Very high	145 Å²	145	74.4 Å²	74.4	68%	0.678	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.8	-177.7	-169.2	159.8	5.7	0	0	113.7	W32	W32-Q34 PolarHBondContact O-N 3.41Å
35	E	88.9	Confident	94.6	Very high	187 Å²	187	70.3 Å²	70.3	87%	0.874	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-45.9	178.5	-65.8	-177.1	-177.1	0	0	110.2	D33	D33-E35 PolarHBondContact OD1-N 2.99Å
36	Q	90.4	Very high	94.8	Very high	128 Å²	128	68.5 Å²	68.5	60%	0.598	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-14.3	-178.8	-57	-170.6	3.5	0	0	113.2	D33 L38	D33-Q36 HydrophobicContact CB-CB 4.38Å; D33-Q36 PolarHBondContact OD1-N 2.9Å; D33-Q36 WeakPolarHBondContact OD2-CG 3.09Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 HydrophobicContact CB-CB 4.36Å; Q36-L38 HydrophobicContact CB-CD1 3.99Å; Q36-L38 HydrophobicContact CB-CG 4.3Å
37	K	90.7	Very high	94.7	Very high	157 Å²	157	68.8 Å²	68.8	68%	0.683	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	45.8	-172.9	-57.9	-176.9	178.8	-179.3	0	112.2	W32 D33	W32-K37 HydrophobicContact CH2-CB 4.03Å; W32-K37 WeakPolarHBondContact CH2-O 3.34Å; W32-K37 HydrophobicContact CZ2-CB 4.06Å; W32-K37 HydrophobicContact CZ2-CG 4.47Å; D33-K37 WeakPolarHBondContact O-CA 3.35Å; D33-K37 PolarHBondContact O-N 2.73Å
38	L	93.8	Very high	94.4	Very high	98 Å²	98	73 Å²	73	51%	0.513	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.5	-176	-70.7	168.3	0	0	0	110.9	D33 Q36	D33-L38 PolarHBondContact N-O 3.18Å; D33-L38 PolarHBondContact O-N 2.91Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 HydrophobicContact CB-CB 4.36Å; Q36-L38 HydrophobicContact CB-CD1 3.99Å; Q36-L38 HydrophobicContact CB-CG 4.3Å
39	V	96.9	Very high	94	Very high	28 Å²	28	75.7 Å²	75.7	17%	0.17	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.7	170	-177.6	0	0	0	0	108.9	V30 W32 Y86 L87 Y90	V30-V39 HydrophobicContact CB-CG1 3.76Å; V30-V39 HydrophobicContact CG1-CG1 3.82Å; W32-V39 HydrophobicContact CE3-CG2 4.31Å; W32-V39 HydrophobicContact CZ3-CG2 4.37Å; V39-Y86 HydrophobicContact CG2-CE1 3.77Å; V39-L87 HydrophobicContact CG1-CD2 4.18Å; V39-L87 HydrophobicContact CG2-CD2 3.86Å; V39-Y90 HydrophobicContact CB-CD2 4.32Å; V39-Y90 HydrophobicContact CB-CE2 4.02Å; V39-Y90 HydrophobicContact CG1-CD1 3.98Å; V39-Y90 HydrophobicContact CG1-CD2 4.26Å; V39-Y90 HydrophobicContact CG1-CE1 3.81Å; V39-Y90 HydrophobicContact CG1-CE2 4.11Å; V39-Y90 HydrophobicContact CG1-CG 4.19Å; V39-Y90 HydrophobicContact CG2-CD2 4Å; V39-Y90 HydrophobicContact CG2-CE2 4.11Å; V39-Y90 HydrophobicContact CG2-CG 4.48Å
40	V	96.7	Very high	93.8	Very high	64 Å²	64	75.7 Å²	75.7	39%	0.388	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	107.1	171.8	-178.7	0	0	0	0	108.3	V30 Y31 D33	V30-V40 WeakPolarHBondContact CA-O 3.22Å; Y31-V40 PolarHBondContact N-O 3.18Å; Y31-V40 PolarHBondContact O-N 2.88Å; D33-V40 HydrophobicContact CB-CG2 3.97Å
41	L	97.4	Very high	93.8	Very high	31 Å²	31	76.1 Å²	76.1	16%	0.162	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.5	-177.7	171.4	67.8	0	0	0	111.5	V28 V30 E43 Y90 F94 D165 K169	V28-L41 HydrophobicContact CB-CD1 3.73Å; V28-L41 HydrophobicContact CG1-CD1 3.97Å; V28-L41 HydrophobicContact CG2-CD1 4.35Å; V30-L41 HydrophobicContact CG1-CB 4.37Å; V30-L41 HydrophobicContact CG1-CD1 3.7Å; L41-E43 HydrophobicContact CD2-CG 4.32Å; L41-E43 HydrophobicContact CG-CG 4.32Å; L41-Y90 HydrophobicContact CB-CE1 4.39Å; L41-Y90 HydrophobicContact CD1-CE1 4.39Å; L41-Y90 HydrophobicContact CD2-CE1 4.31Å; L41-F94 HydrophobicContact CD2-CD1 4.22Å; L41-F94 HydrophobicContact CD2-CD2 3.47Å; L41-F94 VanDerWaalsContact CD2-CD2 3.47Å; L41-F94 HydrophobicContact CD2-CE1 3.99Å; L41-F94 HydrophobicContact CD2-CE2 3.2Å; L41-F94 HydrophobicContact CD2-CG 3.99Å; L41-F94 HydrophobicContact CD2-CZ 3.5Å; L41-F94 VanDerWaalsContact CD2-CZ 3.5Å; L41-D165 WeakPolarHBondContact CD2-OD2 3.38Å; L41-K169 VanDerWaalsContact CD2-NZ 3.26Å
42	K	97.5	Very high	93.9	Very high	81 Å²	81	73.4 Å²	73.4	35%	0.352	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.8	167.3	-63.8	-178.3	179.4	173.7	0	109.8	V28 T29 Y31 V45 E47	V28-K42 WeakPolarHBondContact CA-O 3.42Å; T29-K42 PolarHBondContact N-O 2.97Å; T29-K42 PolarHBondContact O-N 2.78Å; Y31-K42 HydrophobicContact CE2-CD 4.27Å; K42-V45 HydrophobicContact CB-CG2 3.62Å; K42-V45 HydrophobicContact CD-CG2 4.32Å; K42-E47 WeakPolarHBondContact CD-OE2 3.47Å; K42-E47 IonicContact NZ-OE1 3.9Å; K42-E47 PolarHBondContact NZ-OE1 2.83Å; K42-E47 IonicContact NZ-OE2 3.16Å; K42-E47 PolarHBondContact NZ-OE2 3.31Å
43	E	96.6	Very high	94	Very high	105 Å²	105	71.1 Å²	71.1	49%	0.491	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	148.4	179.9	-64	177	-122.4	0	0	111.2	V28 L41 V45 F94 K169	V28-E43 HydrophobicContact CG1-CG 4.33Å; L41-E43 HydrophobicContact CD2-CG 4.32Å; L41-E43 HydrophobicContact CG-CG 4.32Å; E43-V45 VanDerWaalsContact C-N 3.29Å; E43-V45 PolarHBondContact O-N 2.83Å; E43-F94 HydrophobicContact CG-CE1 3.99Å; E43-F94 HydrophobicContact CG-CZ 4.09Å; E43-K169 IonicContact OE1-NZ 3.71Å; E43-K169 PolarHBondContact OE1-NZ 2.79Å
44	G	94.5	Very high	94.2	Very high	65 Å²	65	69.1 Å²	69.1	67%	0.67	36%	0.36	S	S	*	.	S	Bend	trans	77.1	8.8	175.6	0	0	0	0	0	115.1	A27	A27-G44 WeakPolarHBondContact O-CA 3.48Å; A27-G44 PolarHBondContact O-N 2.75Å
45	V	94.1	Very high	94.7	Very high	57 Å²	57	63.1 Å²	63.1	35%	0.345	33%	0.331	S	S	.	.			trans	-133.9	151.6	-177.6	-62.2	0	0	0	0	111.3	V28 T29 K42 E43 E47	V28-V45 CarbonylContact C-O 3.28Å; V28-V45 VanDerWaalsContact C-O 3.28Å; T29-V45 PolarHBondContact N-O 3.06Å; T29-V45 PolarHBondContact OG1-O 2.88Å; K42-V45 HydrophobicContact CB-CG2 3.62Å; K42-V45 HydrophobicContact CD-CG2 4.32Å; E43-V45 VanDerWaalsContact C-N 3.29Å; E43-V45 PolarHBondContact O-N 2.83Å; V45-E47 HydrophobicContact CG2-CG 4.34Å
46	M	93.6	Very high	95.2	Very high	77 Å²	77	54.5 Å²	54.5	38%	0.379	29%	0.291	S	S	.	.			trans	-125.1	89.3	169.7	-64.7	-173	-73.2	0	0	108.4	A27 T29 Y53 Y55 L535	A27-M46 HydrophobicContact CB-CG 3.66Å; A27-M46 HydrophobicContact CB-SD 4.22Å; T29-M46 WeakPolarHBondContact OG1-CA 3.23Å; M46-Y53 HydrophobicContact CB-CD2 4.05Å; M46-Y53 HydrophobicContact CG-CD2 4.34Å; M46-Y55 HydrophobicContact SD-CD1 3.98Å; M46-Y55 HydrophobicContact SD-CG 4.49Å; M46-L535 HydrophobicContact SD-CD2 3.95Å
47	E	94.2	Very high	95.5	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.257	28%	0.275	S	S	.	.			trans	-85.4	109.9	175.1	-56.8	175.3	161.8	0	0	108.5	T29 Y31 K42 V45 D49 S50	T29-E47 HydrophobicContact CG2-CB 4.11Å; T29-E47 HydrophobicContact CG2-CG 4.45Å; T29-E47 PolarHBondContact OG1-N 3.21Å; Y31-E47 VanDerWaalsContact CE2-OE2 3.22Å; Y31-E47 WeakPolarHBondContact CE2-OE2 3.27Å; Y31-E47 VanDerWaalsContact CZ-OE2 3.27Å; Y31-E47 PolarHBondContact OH-OE2 2.95Å; K42-E47 WeakPolarHBondContact CD-OE2 3.47Å; K42-E47 IonicContact NZ-OE1 3.9Å; K42-E47 PolarHBondContact NZ-OE1 2.83Å; K42-E47 IonicContact NZ-OE2 3.16Å; K42-E47 PolarHBondContact NZ-OE2 3.31Å; V45-E47 HydrophobicContact CG2-CG 4.34Å; E47-D49 PolarHBondContact O-N 2.94Å; E47-D49 VanDerWaalsContact O-N 3.16Å; E47-S50 VanDerWaalsContact O-CB 3.3Å; E47-S50 WeakPolarHBondContact O-CB 3.5Å; E47-S50 PolarHBondContact O-N 3.06Å; E47-S50 VanDerWaalsContact O-N 3.17Å; E47-S50 PolarHBondContact O-OG 3.32Å
48	T	89.5	Confident	95.8	Very high	99 Å²	99	46.1 Å²	46.1	61%	0.607	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-12	-170.5	56.9	0	0	0	0	114.4	Y53	T48-Y53 HydrophobicContact CG2-CE2 4.49Å
49	D	91.3	Very high	96	Very high	59 Å²	59	42 Å²	42	32%	0.316	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.2	177.2	65.5	-30.2	0	0	0	113.5	E47 G75 K76	E47-D49 PolarHBondContact O-N 2.94Å; E47-D49 VanDerWaalsContact O-N 3.16Å; D49-G75 WeakPolarHBondContact O-CA 3.49Å; D49-K76 HydrophobicContact CB-CD 4.16Å; D49-K76 HydrophobicContact CB-CG 4.16Å; D49-K76 PolarHBondContact O-N 3.03Å; D49-K76 WeakPolarHBondContact OD2-CE 3.27Å; D49-K76 IonicContact OD2-NZ 2.66Å; D49-K76 PolarHBondContact OD2-NZ 2.97Å
50	S	93.4	Very high	96	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	23%	0.23	C	C	.	.	S	Bend	trans	-80.8	166.8	176.2	78	0	0	0	0	114	T29 E47 A52 G75	T29-S50 WeakPolarHBondContact CG2-OG 3.5Å; E47-S50 VanDerWaalsContact O-CB 3.3Å; E47-S50 WeakPolarHBondContact O-CB 3.5Å; E47-S50 PolarHBondContact O-N 3.06Å; E47-S50 VanDerWaalsContact O-N 3.17Å; E47-S50 PolarHBondContact O-OG 3.32Å; S50-A52 PolarHBondContact OG-O 2.9Å; S50-G75 WeakPolarHBondContact O-CA 3.49Å; S50-G75 PolarHBondContact O-N 2.93Å
51	D	97	Very high	95.9	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.048	24%	0.24	C	C	.	.	S	Bend	trans	-70	-36.3	-179.7	-61.8	-53.8	0	0	0	112	V30 Y31 W32 A72 G73 Q79 L87	V30-D51 PolarHBondContact O-N 3.34Å; Y31-D51 VanDerWaalsContact CA-OD2 3.26Å; Y31-D51 WeakPolarHBondContact CA-OD2 3.28Å; W32-D51 PolarHBondContact N-OD2 3.48Å; D51-A72 WeakPolarHBondContact O-CA 3.46Å; D51-G73 PolarHBondContact O-N 3.09Å; D51-Q79 HydrophobicContact CB-CG 4.22Å; D51-Q79 WeakPolarHBondContact OD1-CG 3.3Å; D51-Q79 PolarHBondContact OD1-NE2 2.87Å; D51-L87 HydrophobicContact CB-CD1 3.43Å; D51-L87 VanDerWaalsContact CB-CD1 3.43Å
52	A	98.1	Very high	95.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.2	163.9	0	0	0	0	0	111.8	V30 S50 R71 A72 L87 V91	V30-A52 HydrophobicContact CG2-CB 3.69Å; V30-A52 PolarHBondContact N-O 3.49Å; V30-A52 PolarHBondContact O-N 3.42Å; S50-A52 PolarHBondContact OG-O 2.9Å; A52-R71 CarbonylContact C-O 3.48Å; A52-R71 VanDerWaalsContact CA-O 3.27Å; A52-R71 WeakPolarHBondContact CA-O 3.26Å; A52-A72 HydrophobicContact CB-CB 3.64Å; A52-L87 HydrophobicContact CB-CB 3.86Å; A52-V91 HydrophobicContact CB-CG2 4.03Å
53	Y	98.3	Very high	95.8	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	165.7	174.5	63.5	-84.5	0	0	0	110.8	V28 T29 M46 T48 R71 L535	V28-Y53 CarbonylContact O-C 3.58Å; V28-Y53 VanDerWaalsContact O-CA 3.25Å; V28-Y53 WeakPolarHBondContact O-CA 3.36Å; V28-Y53 WeakPolarHBondContact O-CB 3.37Å; T29-Y53 WeakPolarHBondContact OG1-CB 3.37Å; M46-Y53 HydrophobicContact CB-CD2 4.05Å; M46-Y53 HydrophobicContact CG-CD2 4.34Å; T48-Y53 HydrophobicContact CG2-CE2 4.49Å; Y53-R71 HydrophobicContact CE1-CB 4.1Å; Y53-R71 HydrophobicContact CE1-CG 4.24Å; Y53-R71 HydrophobicContact CE2-CB 4.22Å; Y53-R71 PolarHBondContact N-O 3.16Å; Y53-R71 PolarHBondContact O-N 2.94Å; Y53-R71 VanDerWaalsContact O-O 3.12Å; Y53-R71 WeakPolarHBondContact OH-CD 3.47Å; Y53-L535 HydrophobicContact CD2-CD1 4.26Å; Y53-L535 HydrophobicContact CE2-CD1 4.05Å; Y53-L535 HydrophobicContact CE2-CD2 4.26Å
54	G	98.1	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	177.9	179.4	0	0	0	0	0	112.9	A27 V28 E69	A27-G54 WeakPolarHBondContact CA-O 3.3Å; V28-G54 PolarHBondContact N-O 3.09Å; V28-G54 PolarHBondContact O-N 3.28Å; G54-E69 CarbonylContact C-O 3.45Å; G54-E69 WeakPolarHBondContact CA-O 3.35Å
55	Y	98.4	Very high	96.1	Very high	18 Å²	18	33.2 Å²	33.2	7%	0.071	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	151.2	174.6	75.1	-90.7	0	0	0	111.6	M25 T26 M46 N57 L68 E69 V534 L535	M25-Y55 HydrophobicContact CG-CD2 3.94Å; M25-Y55 HydrophobicContact CG-CG 4.4Å; M25-Y55 HydrophobicContact SD-CD2 4.15Å; M25-Y55 HydrophobicContact SD-CG 4.45Å; T26-Y55 CarbonylContact O-C 3.57Å; T26-Y55 WeakPolarHBondContact O-CA 3.4Å; T26-Y55 WeakPolarHBondContact O-CB 3.38Å; M46-Y55 HydrophobicContact SD-CD1 3.98Å; M46-Y55 HydrophobicContact SD-CG 4.49Å; Y55-N57 HydrophobicContact CD2-CB 4.1Å; Y55-N57 HydrophobicContact CE2-CB 3.86Å; Y55-L68 WeakPolarHBondContact O-CA 3.38Å; Y55-L68 WeakPolarHBondContact O-CD1 3.29Å; Y55-E69 HydrophobicContact CD1-CB 4.11Å; Y55-E69 HydrophobicContact CE1-CB 3.64Å; Y55-E69 HydrophobicContact CE1-CG 3.68Å; Y55-E69 PolarHBondContact N-O 3.26Å; Y55-E69 PolarHBondContact O-N 3.09Å; Y55-E69 VanDerWaalsContact OH-CD 3.32Å; Y55-E69 PolarHBondContact OH-OE1 3.17Å; Y55-V534 HydrophobicContact CE1-CG2 3.67Å; Y55-V534 WeakPolarHBondContact OH-CG2 3.33Å; Y55-L535 HydrophobicContact CD1-CD1 4.06Å; Y55-L535 HydrophobicContact CD1-CD2 4.2Å; Y55-L535 HydrophobicContact CD1-CG 4.19Å; Y55-L535 HydrophobicContact CE1-CD1 4.23Å; Y55-L535 HydrophobicContact CE1-CD2 4.15Å; Y55-L535 HydrophobicContact CE1-CG 3.95Å
56	L	98.4	Very high	96.3	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.3	163.7	178.6	72.1	0	0	0	107.7	M25 T26 V67 L68 L95 I244	M25-L56 WeakPolarHBondContact CA-O 3.19Å; T26-L56 PolarHBondContact N-O 3.02Å; T26-L56 PolarHBondContact O-N 2.88Å; L56-V67 CarbonylContact C-O 3.56Å; L56-V67 WeakPolarHBondContact CA-O 3.21Å; L56-L68 HydrophobicContact CB-CD1 4.38Å; L56-L68 HydrophobicContact CD1-CB 4.06Å; L56-L95 HydrophobicContact CB-CB 4.07Å; L56-L95 HydrophobicContact CB-CD2 4.49Å; L56-L95 VanDerWaalsContact CD2-O 3.29Å; L56-L95 WeakPolarHBondContact CD2-O 3.45Å; L56-I244 HydrophobicContact CD1-CD1 4.12Å; L56-I244 HydrophobicContact CD1-CG2 4.31Å
57	N	97.7	Very high	96.5	Very high	47 Å²	47	27.9 Å²	27.9	25%	0.251	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	100.8	167.1	-171.5	18	0	0	0	108.5	Y55 T59 S66 V67	Y55-N57 HydrophobicContact CD2-CB 4.1Å; Y55-N57 HydrophobicContact CE2-CB 3.86Å; N57-T59 PolarHBondContact O-N 3.2Å; N57-T59 VanDerWaalsContact O-N 3.07Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.41Å; N57-S66 CarbonylContact O-C 3.59Å; N57-S66 VanDerWaalsContact O-CA 3.26Å; N57-S66 WeakPolarHBondContact O-CA 3.41Å; N57-V67 HydrophobicContact CB-CB 4.49Å; N57-V67 PolarHBondContact N-O 3.33Å; N57-V67 PolarHBondContact O-N 2.92Å
58	D	96.7	Very high	96.7	Very high	63 Å²	63	25.3 Å²	25.3	34%	0.337	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	86.4	179.8	-170.4	-3.5	0	0	0	110.6	K24 L60 Q99	K24-D58 PolarHBondContact O-N 2.86Å; D58-L60 PolarHBondContact OD1-N 2.88Å; D58-Q99 PolarHBondContact OD1-NE2 2.82Å; D58-Q99 PolarHBondContact OD2-NE2 2.91Å; D58-Q99 VanDerWaalsContact OD2-NE2 3.09Å
59	T	96.9	Very high	97.2	Very high	11 Å²	11	20.6 Å²	20.6	7%	0.067	12%	0.123	C	C	.	.			trans	-108.2	17.1	173.6	59	0	0	0	0	112.4	D23 N57 S61 S62 T63 W65	D23-T59 HydrophobicContact CB-CG2 3.98Å; N57-T59 PolarHBondContact O-N 3.2Å; N57-T59 VanDerWaalsContact O-N 3.07Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.41Å; T59-S61 PolarHBondContact O-N 3.02Å; T59-S61 VanDerWaalsContact O-N 3.15Å; T59-S62 WeakPolarHBondContact CB-OG 3.47Å; T59-S62 PolarHBondContact O-N 2.78Å; T59-S62 PolarHBondContact O-OG 2.99Å; T59-S62 VanDerWaalsContact O-OG 3.09Å; T59-T63 PolarHBondContact O-N 2.65Å; T59-T63 PolarHBondContact O-OG1 3.11Å; T59-T63 PolarHBondContact OG1-OG1 2.65Å; T59-T63 VanDerWaalsContact OG1-OG1 3.1Å; T59-W65 CarbonylContact C-O 3.46Å; T59-W65 WeakPolarHBondContact CB-O 3.38Å; T59-W65 PolarHBondContact OG1-O 2.9Å
60	L	96.9	Very high	97.5	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-55.2	-39.5	-174.1	178.5	65.2	0	0	0	112.5	D58 G64 W65 M242 P521	D58-L60 PolarHBondContact OD1-N 2.88Å; L60-G64 WeakPolarHBondContact CD1-O 3.49Å; L60-G64 WeakPolarHBondContact O-CA 3.25Å; L60-G64 PolarHBondContact O-N 2.87Å; L60-W65 PolarHBondContact N-O 3.26Å; L60-M242 HydrophobicContact CD2-CG 3.76Å; L60-P521 HydrophobicContact CG-CG 4.48Å
61	S	95.9	Very high	97.7	Very high	86 Å²	86	20.6 Å²	20.6	60%	0.601	12%	0.118	S	C	*	.	H	α-helix	trans	-75.8	-25.5	-178.7	-66.1	0	0	0	0	113.9	T59	T59-S61 PolarHBondContact O-N 3.02Å; T59-S61 VanDerWaalsContact O-N 3.15Å
62	S	95.8	Very high	97.8	Very high	62 Å²	62	20.2 Å²	20.2	43%	0.434	12%	0.117	S	C	.	.	H	α-helix	trans	-96.8	-39.3	-176	50.8	0	0	0	0	112.4	D23 T59	D23-S62 PolarHBondContact OD1-OG 3.48Å; T59-S62 WeakPolarHBondContact CB-OG 3.47Å; T59-S62 PolarHBondContact O-N 2.78Å; T59-S62 PolarHBondContact O-OG 2.99Å; T59-S62 VanDerWaalsContact O-OG 3.09Å
63	T	96.9	Very high	97.7	Very high	39 Å²	39	21.1 Å²	21.1	24%	0.239	13%	0.125	C	C	.	.	H	α-helix	trans	-114.4	-11.3	-175.1	67.5	0	0	0	0	113.9	T59 W65 V529	T59-T63 PolarHBondContact O-N 2.65Å; T59-T63 PolarHBondContact O-OG1 3.11Å; T59-T63 PolarHBondContact OG1-OG1 2.65Å; T59-T63 VanDerWaalsContact OG1-OG1 3.1Å; T63-W65 VanDerWaalsContact C-N 3.28Å; T63-W65 PolarHBondContact OG1-N 2.98Å; T63-W65 PolarHBondContact OG1-O 3.05Å; T63-V529 HydrophobicContact CG2-CG1 4.42Å
64	G	97.8	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	82.4	1.2	-170.1	0	0	0	0	0	113.5	L60 N496	L60-G64 WeakPolarHBondContact CD1-O 3.49Å; L60-G64 WeakPolarHBondContact O-CA 3.25Å; L60-G64 PolarHBondContact O-N 2.87Å; G64-N496 WeakPolarHBondContact O-CB 3.38Å; G64-N496 VanDerWaalsContact O-CG 3.31Å; G64-N496 PolarHBondContact O-ND2 3.44Å
65	W	98.5	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.			trans	-137.7	137.3	179.1	-67.1	91.9	0	0	0	111.3	T59 L60 T63 R243 Y245 D478 K480 A494 N496 M531	T59-W65 CarbonylContact C-O 3.46Å; T59-W65 WeakPolarHBondContact CB-O 3.38Å; T59-W65 PolarHBondContact OG1-O 2.9Å; L60-W65 PolarHBondContact N-O 3.26Å; T63-W65 VanDerWaalsContact C-N 3.28Å; T63-W65 PolarHBondContact OG1-N 2.98Å; T63-W65 PolarHBondContact OG1-O 3.05Å; W65-R243 HydrophobicContact CD2-CB 3.87Å; W65-R243 HydrophobicContact CE3-CB 3.36Å; W65-R243 HydrophobicContact CE3-CG 4.33Å; W65-R243 HydrophobicContact CH2-CB 4.15Å; W65-R243 HydrophobicContact CH2-CG 4.34Å; W65-R243 VanDerWaalsContact CH2-NH2 3.33Å; W65-R243 HydrophobicContact CZ3-CB 3.53Å; W65-R243 HydrophobicContact CZ3-CG 4.19Å; W65-Y245 HydrophobicContact CE3-CD2 4.42Å; W65-Y245 HydrophobicContact CZ3-CD2 4.23Å; W65-D478 HydrophobicContact CZ2-CB 4.31Å; W65-K480 HydrophobicContact CH2-CD 4.37Å; W65-A494 HydrophobicContact CH2-CB 4.49Å; W65-A494 HydrophobicContact CZ2-CB 3.81Å; W65-N496 HydrophobicContact CD2-CB 4.45Å; W65-N496 HydrophobicContact CZ2-CB 4.21Å; W65-M531 HydrophobicContact CB-CE 3.55Å; W65-M531 VanDerWaalsContact CD1-CE 3.47Å; W65-M531 HydrophobicContact CD2-CE 3.52Å; W65-M531 HydrophobicContact CE3-CE 4.11Å; W65-M531 HydrophobicContact CG-CE 3.22Å
66	S	98.6	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	157.1	150.7	-45.8	0	0	0	0	109.4	N57 Q99 R243 I244 Y245	N57-S66 CarbonylContact O-C 3.59Å; N57-S66 VanDerWaalsContact O-CA 3.26Å; N57-S66 WeakPolarHBondContact O-CA 3.41Å; S66-Q99 PolarHBondContact OG-NE2 2.94Å; S66-Q99 PolarHBondContact OG-OE1 2.85Å; S66-R243 PolarHBondContact N-O 2.84Å; S66-I244 CarbonylContact O-C 3.56Å; S66-I244 WeakPolarHBondContact O-CA 3.31Å; S66-Y245 PolarHBondContact O-N 3Å
67	V	98.6	Very high	96.2	Very high	22 Å²	22	39.5 Å²	39.5	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.6	170.9	-178.2	0	0	0	0	109.1	L56 N57 Y245 M531	L56-V67 CarbonylContact C-O 3.56Å; L56-V67 WeakPolarHBondContact CA-O 3.21Å; N57-V67 HydrophobicContact CB-CB 4.49Å; N57-V67 PolarHBondContact N-O 3.33Å; N57-V67 PolarHBondContact O-N 2.92Å; V67-Y245 WeakPolarHBondContact CA-O 3.41Å; V67-M531 HydrophobicContact CG2-SD 4.12Å
68	L	98.8	Very high	95.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.8	178.4	172.1	71	0	0	0	109.4	Y55 L56 V70 E92 L95 I244 Y245 K246 H247	Y55-L68 WeakPolarHBondContact O-CA 3.38Å; Y55-L68 WeakPolarHBondContact O-CD1 3.29Å; L56-L68 HydrophobicContact CB-CD1 4.38Å; L56-L68 HydrophobicContact CD1-CB 4.06Å; L68-V70 HydrophobicContact CD1-CG2 3.99Å; L68-V70 HydrophobicContact CD2-CG2 4.35Å; L68-V70 HydrophobicContact CG-CG2 4.06Å; L68-E92 HydrophobicContact CD2-CB 4.19Å; L68-E92 VanDerWaalsContact CD2-CD 3.47Å; L68-E92 HydrophobicContact CD2-CG 3.53Å; L68-E92 WeakPolarHBondContact CD2-OE2 3.42Å; L68-L95 HydrophobicContact CD1-CB 4.36Å; L68-L95 HydrophobicContact CD1-CD1 3.85Å; L68-I244 HydrophobicContact CB-CG2 3.42Å; L68-I244 VanDerWaalsContact CB-CG2 3.42Å; L68-I244 HydrophobicContact CD2-CG2 4.47Å; L68-Y245 PolarHBondContact N-O 2.82Å; L68-K246 HydrophobicContact CB-CG 4.33Å; L68-K246 HydrophobicContact CD2-CD 4.16Å; L68-K246 HydrophobicContact CD2-CG 4.21Å; L68-K246 CarbonylContact O-C 3.41Å; L68-K246 WeakPolarHBondContact O-CA 3.48Å; L68-H247 PolarHBondContact O-N 2.84Å
69	E	98.4	Very high	95.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.7	169.1	-57.8	-164.3	-148.2	0	0	110.9	G54 Y55 H247 P533 V534 L535	G54-E69 CarbonylContact C-O 3.45Å; G54-E69 WeakPolarHBondContact CA-O 3.35Å; Y55-E69 HydrophobicContact CD1-CB 4.11Å; Y55-E69 HydrophobicContact CE1-CB 3.64Å; Y55-E69 HydrophobicContact CE1-CG 3.68Å; Y55-E69 PolarHBondContact N-O 3.26Å; Y55-E69 PolarHBondContact O-N 3.09Å; Y55-E69 VanDerWaalsContact OH-CD 3.32Å; Y55-E69 PolarHBondContact OH-OE1 3.17Å; E69-H247 VanDerWaalsContact CA-O 3.29Å; E69-H247 WeakPolarHBondContact CA-O 3.27Å; E69-H247 HydrophobicContact CG-CB 3.91Å; E69-H247 IonicContact OE1-CD2 3.55Å; E69-P533 WeakPolarHBondContact OE1-CA 3.29Å; E69-V534 VanDerWaalsContact CD-N 3.3Å; E69-V534 WeakPolarHBondContact OE1-CG2 3.39Å; E69-V534 PolarHBondContact OE1-N 3.11Å; E69-V534 PolarHBondContact OE2-N 2.68Å; E69-L535 HydrophobicContact CB-CD1 3.6Å; E69-L535 HydrophobicContact CB-CG 3.92Å; E69-L535 WeakPolarHBondContact OE2-CB 3.28Å; E69-L535 WeakPolarHBondContact OE2-CG 3.03Å; E69-L535 PolarHBondContact OE2-N 3.07Å
70	V	98.6	Very high	95.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129	177.8	-174.9	0	0	0	0	109.5	L68 A88 V91 E92 H247 W248 D249 F250	L68-V70 HydrophobicContact CD1-CG2 3.99Å; L68-V70 HydrophobicContact CD2-CG2 4.35Å; L68-V70 HydrophobicContact CG-CG2 4.06Å; V70-A88 HydrophobicContact CG1-CB 4.06Å; V70-V91 HydrophobicContact CG1-CB 4.2Å; V70-V91 HydrophobicContact CG1-CG1 3.99Å; V70-V91 HydrophobicContact CG2-CG1 4.11Å; V70-E92 HydrophobicContact CG2-CB 4.32Å; V70-H247 PolarHBondContact N-O 2.93Å; V70-W248 WeakPolarHBondContact O-CA 3.44Å; V70-D249 PolarHBondContact O-N 3.16Å; V70-F250 HydrophobicContact CB-CE1 4.19Å; V70-F250 HydrophobicContact CG1-CE1 3.92Å
71	R	97.9	Very high	95.7	Very high	58 Å²	58	45.9 Å²	45.9	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.3	175.5	-167.9	156.9	-179.6	-151.1	-6.7	110	A52 Y53 Y74 D249 L535	A52-R71 CarbonylContact C-O 3.48Å; A52-R71 VanDerWaalsContact CA-O 3.27Å; A52-R71 WeakPolarHBondContact CA-O 3.26Å; Y53-R71 HydrophobicContact CE1-CB 4.1Å; Y53-R71 HydrophobicContact CE1-CG 4.24Å; Y53-R71 HydrophobicContact CE2-CB 4.22Å; Y53-R71 PolarHBondContact N-O 3.16Å; Y53-R71 PolarHBondContact O-N 2.94Å; Y53-R71 VanDerWaalsContact O-O 3.12Å; Y53-R71 WeakPolarHBondContact OH-CD 3.47Å; R71-Y74 HydrophobicContact CG-CD2 3.6Å; R71-Y74 HydrophobicContact CG-CE2 3.76Å; R71-D249 VanDerWaalsContact CA-O 3.29Å; R71-D249 WeakPolarHBondContact CA-O 3.05Å; R71-D249 WeakPolarHBondContact CD-OD2 3.26Å; R71-D249 HydrophobicContact CG-CB 4.22Å; R71-D249 IonicContact CZ-OD2 2.74Å; R71-D249 IonicContact NE-OD2 3.56Å; R71-D249 PolarHBondContact NE-OD2 3.42Å; R71-D249 IonicContact NH2-OD2 2.73Å; R71-L535 PolarHBondContact NH1-O 2.93Å
72	A	97.9	Very high	95.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.2	-173.2	0	0	0	0	0	112.6	D51 A52 Y74 T84 A88 D249 F250 H251	D51-A72 WeakPolarHBondContact O-CA 3.46Å; A52-A72 HydrophobicContact CB-CB 3.64Å; A72-Y74 WeakPolarHBondContact O-CD2 3.28Å; A72-T84 HydrophobicContact CB-CG2 3.75Å; A72-A88 HydrophobicContact CB-CB 3.84Å; A72-D249 PolarHBondContact N-O 2.69Å; A72-F250 HydrophobicContact CB-CD1 3.89Å; A72-F250 HydrophobicContact CB-CE1 4.42Å; A72-H251 PolarHBondContact O-N 2.96Å
73	G	96.7	Very high	95.9	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	22%	0.222	C	C	.	.	S	Bend	trans	86.1	5.8	175.7	0	0	0	0	0	114.9	D51	D51-G73 PolarHBondContact O-N 3.09Å
74	Y	94.3	Very high	95.9	Very high	78 Å²	78	42 Å²	42	31%	0.306	21%	0.212	S	C	.	.			trans	-98.1	6.5	179.4	-67	-83.7	0	0	0	113.6	R71 A72 D249 H251	R71-Y74 HydrophobicContact CG-CD2 3.6Å; R71-Y74 HydrophobicContact CG-CE2 3.76Å; A72-Y74 WeakPolarHBondContact O-CD2 3.28Å; Y74-D249 VanDerWaalsContact CE2-OD2 3.28Å; Y74-D249 WeakPolarHBondContact CE2-OD2 3.38Å; Y74-D249 VanDerWaalsContact OH-CG 3.25Å; Y74-D249 PolarHBondContact OH-OD1 2.73Å; Y74-D249 PolarHBondContact OH-OD2 3.04Å; Y74-D249 VanDerWaalsContact OH-OD2 3.11Å; Y74-H251 HydrophobicContact CD1-CB 4.14Å; Y74-H251 HydrophobicContact CD2-CB 4.01Å; Y74-H251 HydrophobicContact CE1-CB 3.87Å; Y74-H251 HydrophobicContact CE2-CB 3.75Å; Y74-H251 HydrophobicContact CG-CB 4.21Å
75	G	91.5	Very high	96	Very high	12 Å²	12	42.1 Å²	42.1	12%	0.124	21%	0.213	C	C	.	.	S	Bend	trans	-64.8	157.7	-177.2	0	0	0	0	0	113.5	D49 S50 K77	D49-G75 WeakPolarHBondContact O-CA 3.49Å; S50-G75 WeakPolarHBondContact O-CA 3.49Å; S50-G75 PolarHBondContact O-N 2.93Å; G75-K77 PolarHBondContact O-N 3.42Å
76	K	89.7	Confident	96	Very high	167 Å²	167	45 Å²	45	73%	0.726	22%	0.224	S	C	*	.	S	Bend	trans	-57.4	-31.7	177.9	-80.1	170	175.5	161.9	0	113.8	D49	D49-K76 HydrophobicContact CB-CD 4.16Å; D49-K76 HydrophobicContact CB-CG 4.16Å; D49-K76 PolarHBondContact O-N 3.03Å; D49-K76 WeakPolarHBondContact OD2-CE 3.27Å; D49-K76 IonicContact OD2-NZ 2.66Å; D49-K76 PolarHBondContact OD2-NZ 2.97Å
77	K	86.9	Confident	96	Very high	160 Å²	160	45 Å²	45	70%	0.696	22%	0.224	S	C	*	.	S	Bend	trans	-100.9	121.8	174.6	-69.6	-177.7	179.6	179	0	107.8	G75 Q79	G75-K77 PolarHBondContact O-N 3.42Å; K77-Q79 PolarHBondContact O-N 3.39Å
78	T	87.9	Confident	96	Very high	126 Å²	126	44 Å²	44	77%	0.773	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-64.8	118.2	176.1	-50.2	0	0	0	0	109.7
79	Q	94.4	Very high	96	Very high	26 Å²	26	44 Å²	44	12%	0.121	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-90.4	163.3	170.5	-56.6	-58.6	-25.6	0	0	110	D51 K77 M83	D51-Q79 HydrophobicContact CB-CG 4.22Å; D51-Q79 WeakPolarHBondContact OD1-CG 3.3Å; D51-Q79 PolarHBondContact OD1-NE2 2.87Å; K77-Q79 PolarHBondContact O-N 3.39Å; Q79-M83 HydrophobicContact CB-CB 4.17Å; Q79-M83 HydrophobicContact CB-CG 4.22Å; Q79-M83 HydrophobicContact CG-CG 4.44Å
80	T	96.3	Very high	96	Very high	92 Å²	92	44.6 Å²	44.6	56%	0.564	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-69.1	150.9	167.5	61.5	0	0	0	0	109.9	E82 M83 T84	T80-E82 PolarHBondContact O-N 2.94Å; T80-M83 WeakPolarHBondContact O-CA 3.28Å; T80-M83 WeakPolarHBondContact O-CB 3.29Å; T80-M83 PolarHBondContact O-N 3.17Å; T80-M83 WeakPolarHBondContact OG1-CB 3.25Å; T80-M83 PolarHBondContact OG1-N 3.37Å; T80-T84 PolarHBondContact O-N 3.39Å; T80-T84 PolarHBondContact O-OG1 3.4Å
81	D	97.7	Very high	96	Very high	14 Å²	14	44.5 Å²	44.5	8%	0.075	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-36.3	176.1	-64.5	-17.8	0	0	0	112	M83 T84 F85 F151 I252 T253 E254	D81-M83 VanDerWaalsContact C-N 3.32Å; D81-M83 PolarHBondContact O-N 2.62Å; D81-T84 WeakPolarHBondContact O-CB 3.34Å; D81-T84 PolarHBondContact O-N 3.36Å; D81-F85 WeakPolarHBondContact O-CD2 3.47Å; D81-F85 PolarHBondContact O-N 2.93Å; D81-F151 HydrophobicContact CB-CD1 4.17Å; D81-F151 HydrophobicContact CB-CE1 3.5Å; D81-F151 HydrophobicContact CB-CE2 3.94Å; D81-F151 HydrophobicContact CB-CZ 3.36Å; D81-I252 HydrophobicContact CB-CG2 4.33Å; D81-I252 WeakPolarHBondContact OD2-CG2 3.32Å; D81-T253 PolarHBondContact OD1-N 2.92Å; D81-T253 PolarHBondContact OD1-OG1 3.44Å; D81-T253 PolarHBondContact OD2-N 3.48Å; D81-T253 PolarHBondContact OD2-OG1 3.08Å; D81-E254 WeakPolarHBondContact OD2-CB 3.26Å; D81-E254 PolarHBondContact OD2-N 2.83Å
82	E	97.4	Very high	96.1	Very high	69 Å²	69	41.7 Å²	41.7	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-57.6	-43.2	172.6	-72.6	-180	-179.8	0	0	111.9	T80 Y86 K140 F151 A154	T80-E82 PolarHBondContact O-N 2.94Å; E82-Y86 WeakPolarHBondContact O-CB 3.43Å; E82-Y86 PolarHBondContact O-N 2.94Å; E82-K140 IonicContact OE1-NZ 3.32Å; E82-K140 PolarHBondContact OE1-NZ 3.23Å; E82-K140 IonicContact OE2-NZ 3.36Å; E82-K140 PolarHBondContact OE2-NZ 2.82Å; E82-F151 HydrophobicContact CG-CD1 3.81Å; E82-F151 HydrophobicContact CG-CE1 3.88Å; E82-A154 WeakPolarHBondContact O-CB 3.44Å
83	M	97.9	Very high	96.1	Very high	32 Å²	32	41.7 Å²	41.7	16%	0.158	21%	0.208	C	C	.	.	H	α-helix	trans	-72	-38.9	177.5	-175.9	56.8	62.2	0	0	111.6	W32 Q79 T80 D81 F85 Y86 L87	W32-M83 HydrophobicContact CB-CG 4.29Å; W32-M83 HydrophobicContact CB-SD 4.37Å; W32-M83 HydrophobicContact CD2-CE 3.6Å; W32-M83 HydrophobicContact CD2-CG 4.32Å; W32-M83 HydrophobicContact CD2-SD 3.59Å; W32-M83 VanDerWaalsContact CD2-SD 3.59Å; W32-M83 VanDerWaalsContact CE2-CE 3.42Å; W32-M83 HydrophobicContact CE3-CE 3.84Å; W32-M83 HydrophobicContact CE3-SD 3.63Å; W32-M83 HydrophobicContact CG-CE 4.24Å; W32-M83 HydrophobicContact CG-CG 4.04Å; W32-M83 HydrophobicContact CG-SD 3.92Å; W32-M83 HydrophobicContact CH2-CE 3.78Å; W32-M83 HydrophobicContact CZ2-CE 3.53Å; W32-M83 HydrophobicContact CZ3-CE 3.93Å; W32-M83 HydrophobicContact CZ3-SD 4.14Å; Q79-M83 HydrophobicContact CB-CB 4.17Å; Q79-M83 HydrophobicContact CB-CG 4.22Å; Q79-M83 HydrophobicContact CG-CG 4.44Å; T80-M83 WeakPolarHBondContact O-CA 3.28Å; T80-M83 WeakPolarHBondContact O-CB 3.29Å; T80-M83 PolarHBondContact O-N 3.17Å; T80-M83 WeakPolarHBondContact OG1-CB 3.25Å; T80-M83 PolarHBondContact OG1-N 3.37Å; D81-M83 VanDerWaalsContact C-N 3.32Å; D81-M83 PolarHBondContact O-N 2.62Å; M83-F85 VanDerWaalsContact C-N 3.31Å; M83-F85 PolarHBondContact O-N 3.29Å; M83-Y86 PolarHBondContact O-N 2.99Å; M83-Y86 HydrophobicContact SD-CD1 3.93Å; M83-L87 HydrophobicContact CG-CD1 4.04Å; M83-L87 HydrophobicContact CG-CG 4.22Å; M83-L87 VanDerWaalsContact O-CG 3.3Å; M83-L87 WeakPolarHBondContact O-CG 3.39Å; M83-L87 PolarHBondContact O-N 3.05Å; M83-L87 HydrophobicContact SD-CD1 4.35Å; M83-L87 HydrophobicContact SD-CD2 4.27Å; M83-L87 HydrophobicContact SD-CG 3.98Å
84	T	98.4	Very high	96.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-53.7	-48.7	173.2	-65.7	0	0	0	0	111.1	A72 T80 D81 L87 A88	A72-T84 HydrophobicContact CB-CG2 3.75Å; T80-T84 PolarHBondContact O-N 3.39Å; T80-T84 PolarHBondContact O-OG1 3.4Å; D81-T84 WeakPolarHBondContact O-CB 3.34Å; D81-T84 PolarHBondContact O-N 3.36Å; T84-L87 PolarHBondContact O-N 3.26Å; T84-A88 WeakPolarHBondContact O-CB 3.44Å; T84-A88 PolarHBondContact O-N 2.89Å
85	F	98.8	Very high	96.4	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-40.2	177.8	-87.6	-109.6	0	0	0	112.6	D81 M83 L87 A88 G89 F151 A154 Q155 F250 I252	D81-F85 WeakPolarHBondContact O-CD2 3.47Å; D81-F85 PolarHBondContact O-N 2.93Å; M83-F85 VanDerWaalsContact C-N 3.31Å; M83-F85 PolarHBondContact O-N 3.29Å; F85-L87 PolarHBondContact O-N 3.22Å; F85-A88 PolarHBondContact O-N 3.27Å; F85-G89 PolarHBondContact O-N 2.82Å; F85-F151 HydrophobicContact CB-CB 4.27Å; F85-F151 WeakPolarHBondContact CB-O 3.41Å; F85-F151 HydrophobicContact CD1-CB 3.72Å; F85-F151 WeakPolarHBondContact CD1-O 3.5Å; F85-F151 HydrophobicContact CD2-CB 3.78Å; F85-F151 HydrophobicContact CD2-CD2 4.41Å; F85-F151 HydrophobicContact CD2-CG 4.12Å; F85-F151 HydrophobicContact CE1-CB 3.87Å; F85-F151 HydrophobicContact CE2-CB 3.91Å; F85-F151 AromaticContact CE2-CD2 3.97Å; F85-F151 HydrophobicContact CE2-CD2 3.97Å; F85-F151 HydrophobicContact CE2-CG 4.12Å; F85-F151 HydrophobicContact CG-CB 3.67Å; F85-F151 HydrophobicContact CG-CG 4.46Å; F85-F151 HydrophobicContact CZ-CB 3.96Å; F85-F151 HydrophobicContact CZ-CD2 4.27Å; F85-F151 HydrophobicContact CZ-CG 4.5Å; F85-A154 HydrophobicContact CB-CB 4.39Å; F85-Q155 HydrophobicContact CB-CB 4.17Å; F85-Q155 HydrophobicContact CD1-CB 4.04Å; F85-Q155 VanDerWaalsContact O-CA 3.3Å; F85-Q155 WeakPolarHBondContact O-CA 3.33Å; F85-F250 HydrophobicContact CD1-CD2 4.46Å; F85-F250 HydrophobicContact CE1-CD2 4.1Å; F85-F250 HydrophobicContact CE1-CE2 4.43Å; F85-F250 HydrophobicContact CE2-CD2 4.39Å; F85-F250 HydrophobicContact CZ-CD2 4.07Å; F85-I252 HydrophobicContact CE2-CD1 3.53Å; F85-I252 HydrophobicContact CE2-CG1 3.82Å; F85-I252 HydrophobicContact CZ-CD1 3.59Å; F85-I252 HydrophobicContact CZ-CG1 4.38Å
86	Y	98.8	Very high	96.7	Very high	60 Å²	60	37.6 Å²	37.6	24%	0.235	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-47.6	174.3	179.4	-93.8	0	0	0	112	V39 E82 M83 G89 Y90 A154 D157 G158 A161	V39-Y86 HydrophobicContact CG2-CE1 3.77Å; E82-Y86 WeakPolarHBondContact O-CB 3.43Å; E82-Y86 PolarHBondContact O-N 2.94Å; M83-Y86 PolarHBondContact O-N 2.99Å; M83-Y86 HydrophobicContact SD-CD1 3.93Å; Y86-G89 PolarHBondContact O-N 2.78Å; Y86-Y90 PolarHBondContact O-N 3.3Å; Y86-A154 WeakPolarHBondContact CA-O 3.47Å; Y86-A154 WeakPolarHBondContact CD2-O 3.43Å; Y86-D157 HydrophobicContact CD2-CB 4.18Å; Y86-D157 HydrophobicContact CE2-CB 4.16Å; Y86-G158 VanDerWaalsContact O-CA 3.24Å; Y86-G158 WeakPolarHBondContact O-CA 3.48Å; Y86-A161 HydrophobicContact CE2-CB 4.46Å; Y86-A161 VanDerWaalsContact OH-CB 3.31Å; Y86-A161 WeakPolarHBondContact OH-CB 3.32Å
87	L	98.8	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-38.2	179	-65.5	175.1	0	0	0	112.3	V30 W32 V39 D51 A52 M83 T84 F85 G89 Y90 V91	V30-L87 HydrophobicContact CG2-CB 4.02Å; V30-L87 HydrophobicContact CG2-CD2 4.09Å; W32-L87 HydrophobicContact CB-CD1 4.11Å; V39-L87 HydrophobicContact CG1-CD2 4.18Å; V39-L87 HydrophobicContact CG2-CD2 3.86Å; D51-L87 HydrophobicContact CB-CD1 3.43Å; D51-L87 VanDerWaalsContact CB-CD1 3.43Å; A52-L87 HydrophobicContact CB-CB 3.86Å; M83-L87 HydrophobicContact CG-CD1 4.04Å; M83-L87 HydrophobicContact CG-CG 4.22Å; M83-L87 VanDerWaalsContact O-CG 3.3Å; M83-L87 WeakPolarHBondContact O-CG 3.39Å; M83-L87 PolarHBondContact O-N 3.05Å; M83-L87 HydrophobicContact SD-CD1 4.35Å; M83-L87 HydrophobicContact SD-CD2 4.27Å; M83-L87 HydrophobicContact SD-CG 3.98Å; T84-L87 PolarHBondContact O-N 3.26Å; F85-L87 PolarHBondContact O-N 3.22Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-Y90 WeakPolarHBondContact O-CB 3.16Å; L87-Y90 PolarHBondContact O-N 3.2Å; L87-V91 WeakPolarHBondContact O-CG2 3.4Å; L87-V91 PolarHBondContact O-N 3.46Å
88	A	98.8	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-45	173.2	0	0	0	0	0	111.6	V70 A72 T84 F85 Y90 V91 E92 F250	V70-A88 HydrophobicContact CG1-CB 4.06Å; A72-A88 HydrophobicContact CB-CB 3.84Å; T84-A88 WeakPolarHBondContact O-CB 3.44Å; T84-A88 PolarHBondContact O-N 2.89Å; F85-A88 PolarHBondContact O-N 3.27Å; A88-Y90 VanDerWaalsContact C-N 3.34Å; A88-Y90 PolarHBondContact O-N 2.81Å; A88-V91 PolarHBondContact O-N 2.86Å; A88-E92 PolarHBondContact O-N 3.03Å; A88-E92 VanDerWaalsContact O-N 3.1Å; A88-F250 HydrophobicContact CB-CD1 4.07Å; A88-F250 HydrophobicContact CB-CE1 3.54Å; A88-F250 HydrophobicContact CB-CE2 4.19Å; A88-F250 HydrophobicContact CB-CZ 3.61Å
89	G	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-46.7	172.3	0	0	0	0	0	111.6	F85 Y86 L87 V91 E92 G93 Q155 L159	F85-G89 PolarHBondContact O-N 2.82Å; Y86-G89 PolarHBondContact O-N 2.78Å; L87-G89 VanDerWaalsContact C-N 3.34Å; G89-V91 PolarHBondContact O-N 2.71Å; G89-E92 PolarHBondContact O-N 3.04Å; G89-G93 PolarHBondContact O-N 2.79Å; G89-Q155 WeakPolarHBondContact CA-O 3.45Å; G89-L159 VanDerWaalsContact C-N 3.29Å; G89-L159 WeakPolarHBondContact O-CA 3.49Å; G89-L159 PolarHBondContact O-N 3.32Å
90	Y	98.9	Very high	98.3	Very high	14 Å²	14	18.2 Å²	18.2	6%	0.055	9%	0.09	C	C	.	.	H	α-helix	trans	-58.3	-46.4	178.6	-171.7	-74.1	0	0	0	112.4	V30 V39 L41 Y86 L87 A88 G93 F94 G158 A161 G162 D165	V30-Y90 HydrophobicContact CG1-CD1 3.8Å; V30-Y90 HydrophobicContact CG1-CE1 4Å; V39-Y90 HydrophobicContact CB-CD2 4.32Å; V39-Y90 HydrophobicContact CB-CE2 4.02Å; V39-Y90 HydrophobicContact CG1-CD1 3.98Å; V39-Y90 HydrophobicContact CG1-CD2 4.26Å; V39-Y90 HydrophobicContact CG1-CE1 3.81Å; V39-Y90 HydrophobicContact CG1-CE2 4.11Å; V39-Y90 HydrophobicContact CG1-CG 4.19Å; V39-Y90 HydrophobicContact CG2-CD2 4Å; V39-Y90 HydrophobicContact CG2-CE2 4.11Å; V39-Y90 HydrophobicContact CG2-CG 4.48Å; L41-Y90 HydrophobicContact CB-CE1 4.39Å; L41-Y90 HydrophobicContact CD1-CE1 4.39Å; L41-Y90 HydrophobicContact CD2-CE1 4.31Å; Y86-Y90 PolarHBondContact O-N 3.3Å; L87-Y90 WeakPolarHBondContact O-CB 3.16Å; L87-Y90 PolarHBondContact O-N 3.2Å; A88-Y90 VanDerWaalsContact C-N 3.34Å; A88-Y90 PolarHBondContact O-N 2.81Å; Y90-G93 PolarHBondContact O-N 3.14Å; Y90-F94 HydrophobicContact CE1-CB 4.49Å; Y90-F94 WeakPolarHBondContact O-CB 3.2Å; Y90-F94 PolarHBondContact O-N 3.38Å; Y90-G158 WeakPolarHBondContact CA-O 3.17Å; Y90-G158 VanDerWaalsContact N-C 3.27Å; Y90-G158 PolarHBondContact N-O 3.19Å; Y90-A161 HydrophobicContact CD2-CB 3.92Å; Y90-A161 HydrophobicContact CE2-CB 4.27Å; Y90-G162 WeakPolarHBondContact O-CA 3.12Å; Y90-D165 HydrophobicContact CE2-CB 4.48Å; Y90-D165 VanDerWaalsContact OH-CB 3.31Å; Y90-D165 WeakPolarHBondContact OH-CB 3.22Å; Y90-D165 PolarHBondContact OH-OD2 3.32Å
91	V	98.9	Very high	98.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.7	-51.4	176.4	166.6	0	0	0	0	110.8	V28 V30 A52 V70 L87 A88 G89 G93 F94 L95	V28-V91 HydrophobicContact CG2-CB 4.31Å; V28-V91 HydrophobicContact CG2-CG1 3.78Å; V28-V91 HydrophobicContact CG2-CG2 4.21Å; V30-V91 HydrophobicContact CB-CG2 4.4Å; V30-V91 HydrophobicContact CG1-CG2 3.98Å; V30-V91 HydrophobicContact CG2-CG2 3.56Å; A52-V91 HydrophobicContact CB-CG2 4.03Å; V70-V91 HydrophobicContact CG1-CB 4.2Å; V70-V91 HydrophobicContact CG1-CG1 3.99Å; V70-V91 HydrophobicContact CG2-CG1 4.11Å; L87-V91 WeakPolarHBondContact O-CG2 3.4Å; L87-V91 PolarHBondContact O-N 3.46Å; A88-V91 PolarHBondContact O-N 2.86Å; G89-V91 PolarHBondContact O-N 2.71Å; V91-G93 PolarHBondContact O-N 3.36Å; V91-F94 PolarHBondContact O-N 2.96Å; V91-L95 HydrophobicContact CG1-CD1 3.68Å; V91-L95 HydrophobicContact CG1-CG 4.49Å; V91-L95 WeakPolarHBondContact O-CB 3.31Å; V91-L95 VanDerWaalsContact O-CG 3.26Å; V91-L95 WeakPolarHBondContact O-CG 3.17Å; V91-L95 PolarHBondContact O-N 3.06Å
92	E	98.8	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.9	-44.2	178.5	175.3	160.3	154.9	0	0	112.3	L68 V70 A88 G89 F94 L95 S96 L159 K246 W248	L68-E92 HydrophobicContact CD2-CB 4.19Å; L68-E92 VanDerWaalsContact CD2-CD 3.47Å; L68-E92 HydrophobicContact CD2-CG 3.53Å; L68-E92 WeakPolarHBondContact CD2-OE2 3.42Å; V70-E92 HydrophobicContact CG2-CB 4.32Å; A88-E92 PolarHBondContact O-N 3.03Å; A88-E92 VanDerWaalsContact O-N 3.1Å; G89-E92 PolarHBondContact O-N 3.04Å; E92-F94 PolarHBondContact O-N 3.28Å; E92-L95 PolarHBondContact O-N 3.02Å; E92-S96 WeakPolarHBondContact O-CB 3.47Å; E92-S96 PolarHBondContact O-N 3.04Å; E92-S96 PolarHBondContact O-OG 2.66Å; E92-L159 HydrophobicContact CB-CD1 4.12Å; E92-L159 HydrophobicContact CG-CD1 3.75Å; E92-K246 IonicContact OE1-NZ 3.54Å; E92-K246 PolarHBondContact OE1-NZ 2.77Å; E92-W248 VanDerWaalsContact OE2-CE2 3.3Å; E92-W248 WeakPolarHBondContact OE2-CZ2 3.34Å; E92-W248 PolarHBondContact OE2-NE1 3.12Å
93	G	98.7	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.1	-42.4	-178.2	0	0	0	0	0	111.7	G89 Y90 V91 A97 L159 A163	G89-G93 PolarHBondContact O-N 2.79Å; Y90-G93 PolarHBondContact O-N 3.14Å; V91-G93 PolarHBondContact O-N 3.36Å; G93-A97 WeakPolarHBondContact O-CA 3.37Å; G93-A97 VanDerWaalsContact O-CB 3.3Å; G93-A97 WeakPolarHBondContact O-CB 3.23Å; G93-A97 PolarHBondContact O-N 3.33Å; G93-A97 VanDerWaalsContact O-N 3.16Å; G93-L159 WeakPolarHBondContact CA-O 3.49Å; G93-A163 WeakPolarHBondContact O-CA 3.42Å; G93-A163 PolarHBondContact O-N 3.28Å
94	F	98.7	Very high	98.6	Very high	8 Å²	8	12.6 Å²	12.6	4%	0.035	6%	0.057	C	C	.	.	H	α-helix	trans	-67.3	-46.9	177.3	-170.5	-83.4	0	0	0	111.7	V28 L41 E43 Y90 V91 E92 G162 D165 W166 K169	V28-F94 HydrophobicContact CG1-CD1 3.72Å; V28-F94 HydrophobicContact CG1-CE1 3.95Å; L41-F94 HydrophobicContact CD2-CD1 4.22Å; L41-F94 HydrophobicContact CD2-CD2 3.47Å; L41-F94 VanDerWaalsContact CD2-CD2 3.47Å; L41-F94 HydrophobicContact CD2-CE1 3.99Å; L41-F94 HydrophobicContact CD2-CE2 3.2Å; L41-F94 HydrophobicContact CD2-CG 3.99Å; L41-F94 HydrophobicContact CD2-CZ 3.5Å; L41-F94 VanDerWaalsContact CD2-CZ 3.5Å; E43-F94 HydrophobicContact CG-CE1 3.99Å; E43-F94 HydrophobicContact CG-CZ 4.09Å; Y90-F94 HydrophobicContact CE1-CB 4.49Å; Y90-F94 WeakPolarHBondContact O-CB 3.2Å; Y90-F94 PolarHBondContact O-N 3.38Å; V91-F94 PolarHBondContact O-N 2.96Å; E92-F94 PolarHBondContact O-N 3.28Å; F94-G162 WeakPolarHBondContact CA-O 3.3Å; F94-D165 HydrophobicContact CD2-CB 4.28Å; F94-D165 HydrophobicContact CE2-CB 4.45Å; F94-W166 HydrophobicContact CD2-CB 3.67Å; F94-W166 AromaticContact CE1-CD1 3.95Å; F94-W166 HydrophobicContact CE2-CB 3.75Å; F94-W166 HydrophobicContact CE2-CG 4.44Å; F94-W166 HydrophobicContact CG-CB 4.14Å; F94-W166 HydrophobicContact CZ-CB 4.3Å; F94-W166 AromaticContact CZ-CD1 3.95Å; F94-K169 HydrophobicContact CE2-CD 3.96Å; F94-K169 HydrophobicContact CZ-CD 4.02Å
95	L	98.6	Very high	98.6	Very high	14 Å²	14	15 Å²	15	7%	0.073	7%	0.071	C	C	.	.	H	α-helix	trans	-65.7	-39.6	-177.1	-75.3	171.7	0	0	0	112.8	T26 V28 L56 L68 V91 E92	T26-L95 VanDerWaalsContact O-CD2 3.24Å; T26-L95 WeakPolarHBondContact O-CD2 3.41Å; V28-L95 HydrophobicContact CB-CD2 4.38Å; V28-L95 HydrophobicContact CG1-CD2 3.83Å; V28-L95 HydrophobicContact CG1-CG 4.39Å; V28-L95 HydrophobicContact CG2-CD1 3.92Å; V28-L95 HydrophobicContact CG2-CD2 3.91Å; V28-L95 HydrophobicContact CG2-CG 3.7Å; L56-L95 HydrophobicContact CB-CB 4.07Å; L56-L95 HydrophobicContact CB-CD2 4.49Å; L56-L95 VanDerWaalsContact CD2-O 3.29Å; L56-L95 WeakPolarHBondContact CD2-O 3.45Å; L68-L95 HydrophobicContact CD1-CB 4.36Å; L68-L95 HydrophobicContact CD1-CD1 3.85Å; V91-L95 HydrophobicContact CG1-CD1 3.68Å; V91-L95 HydrophobicContact CG1-CG 4.49Å; V91-L95 WeakPolarHBondContact O-CB 3.31Å; V91-L95 VanDerWaalsContact O-CG 3.26Å; V91-L95 WeakPolarHBondContact O-CG 3.17Å; V91-L95 PolarHBondContact O-N 3.06Å; E92-L95 PolarHBondContact O-N 3.02Å
96	S	98.4	Very high	98.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-101.9	3.5	-172.2	67.5	0	0	0	0	114.6	E92 Q98 Q99 M100	E92-S96 WeakPolarHBondContact O-CB 3.47Å; E92-S96 PolarHBondContact O-N 3.04Å; E92-S96 PolarHBondContact O-OG 2.66Å; S96-Q98 VanDerWaalsContact C-N 3.32Å; S96-Q98 PolarHBondContact O-N 3.32Å; S96-Q98 VanDerWaalsContact O-N 3.14Å; S96-Q99 CarbonylContact O-C 3.59Å; S96-Q99 PolarHBondContact O-N 2.74Å; S96-M100 WeakPolarHBondContact O-CG 3.38Å; S96-M100 PolarHBondContact O-N 2.87Å; S96-M100 PolarHBondContact OG-SD 2.91Å; S96-M100 VanDerWaalsContact OG-SD 3.33Å
97	A	98.3	Very high	98.4	Very high	1 Å²	1	12 Å²	12	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-50.4	-42.9	-172.2	0	0	0	0	0	115	G93 M100 M101 A163 W166	G93-A97 WeakPolarHBondContact O-CA 3.37Å; G93-A97 VanDerWaalsContact O-CB 3.3Å; G93-A97 WeakPolarHBondContact O-CB 3.23Å; G93-A97 PolarHBondContact O-N 3.33Å; G93-A97 VanDerWaalsContact O-N 3.16Å; A97-M100 WeakPolarHBondContact O-CB 3.26Å; A97-M100 PolarHBondContact O-N 2.93Å; A97-M101 WeakPolarHBondContact O-CG 3.36Å; A97-M101 PolarHBondContact O-N 2.65Å; A97-M101 VanDerWaalsContact O-N 3.07Å; A97-A163 HydrophobicContact CB-CB 4.28Å; A97-W166 HydrophobicContact CB-CB 3.79Å; A97-W166 HydrophobicContact CB-CD2 3.4Å; A97-W166 VanDerWaalsContact CB-CD2 3.4Å; A97-W166 HydrophobicContact CB-CE3 3.29Å; A97-W166 HydrophobicContact CB-CG 3.61Å; A97-W166 HydrophobicContact CB-CZ3 4.02Å
98	Q	97.5	Very high	98.3	Very high	60 Å²	60	14.9 Å²	14.9	28%	0.28	7%	0.071	S	C	.	.	H	α-helix	trans	-63	-50.8	177	180	56.3	60.2	0	0	111.1	S96 M100 M101 D102 W166	S96-Q98 VanDerWaalsContact C-N 3.32Å; S96-Q98 PolarHBondContact O-N 3.32Å; S96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-M100 VanDerWaalsContact C-N 3.25Å; Q98-M100 PolarHBondContact O-N 2.87Å; Q98-M101 PolarHBondContact O-N 3.31Å; Q98-M101 VanDerWaalsContact O-N 3.14Å; Q98-D102 PolarHBondContact NE2-OD1 3.24Å; Q98-D102 PolarHBondContact NE2-OD2 2.78Å; Q98-D102 PolarHBondContact O-N 3.18Å; Q98-W166 HydrophobicContact CB-CH2 3.69Å; Q98-W166 HydrophobicContact CB-CZ2 3.78Å; Q98-W166 HydrophobicContact CG-CH2 4.41Å
99	Q	98.1	Very high	98.1	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-63.4	-32.9	178.4	-63.8	-169.6	-20.5	0	0	111.2	D58 S66 S96 D102 H103 M242 P268	D58-Q99 PolarHBondContact OD1-NE2 2.82Å; D58-Q99 PolarHBondContact OD2-NE2 2.91Å; D58-Q99 VanDerWaalsContact OD2-NE2 3.09Å; S66-Q99 PolarHBondContact OG-NE2 2.94Å; S66-Q99 PolarHBondContact OG-OE1 2.85Å; S96-Q99 CarbonylContact O-C 3.59Å; S96-Q99 PolarHBondContact O-N 2.74Å; Q99-D102 PolarHBondContact O-N 3.01Å; Q99-H103 WeakPolarHBondContact O-CB 3.48Å; Q99-H103 PolarHBondContact O-N 3.01Å; Q99-M242 HydrophobicContact CB-SD 3.8Å; Q99-M242 HydrophobicContact CG-SD 4.35Å; Q99-P268 VanDerWaalsContact C-CB 3.43Å; Q99-P268 HydrophobicContact CB-CB 3.72Å; Q99-P268 HydrophobicContact CB-CG 3.55Å
100	M	98.7	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-44.6	172.7	-67.3	167	65.5	0	0	112.3	S96 A97 Q98 Y104 L159 A163 L175 I180 P268	S96-M100 WeakPolarHBondContact O-CG 3.38Å; S96-M100 PolarHBondContact O-N 2.87Å; S96-M100 PolarHBondContact OG-SD 2.91Å; S96-M100 VanDerWaalsContact OG-SD 3.33Å; A97-M100 WeakPolarHBondContact O-CB 3.26Å; A97-M100 PolarHBondContact O-N 2.93Å; Q98-M100 VanDerWaalsContact C-N 3.25Å; Q98-M100 PolarHBondContact O-N 2.87Å; M100-Y104 VanDerWaalsContact O-CB 3.23Å; M100-Y104 WeakPolarHBondContact O-CB 3.45Å; M100-Y104 PolarHBondContact O-N 2.98Å; M100-L159 HydrophobicContact CE-CD1 4.17Å; M100-L159 HydrophobicContact CE-CD2 4.25Å; M100-L159 HydrophobicContact CE-CG 4.01Å; M100-L159 HydrophobicContact SD-CD1 4.33Å; M100-A163 HydrophobicContact CE-CB 3.99Å; M100-A163 HydrophobicContact SD-CB 4.29Å; M100-L175 HydrophobicContact CB-CD1 3.76Å; M100-L175 HydrophobicContact CE-CD1 4.19Å; M100-I180 HydrophobicContact CE-CD1 3.24Å; M100-P268 HydrophobicContact CB-CB 4.44Å; M100-P268 HydrophobicContact CG-CB 3.91Å
101	M	98.6	Very high	97.5	Very high	24 Å²	24	18.8 Å²	18.8	12%	0.118	10%	0.095	C	C	.	.	H	α-helix	trans	-65.9	-42.2	178.5	-69.6	179.6	-177.9	0	0	112	A97 Q98 T105 W166 A167 K172 K173 L175	A97-M101 WeakPolarHBondContact O-CG 3.36Å; A97-M101 PolarHBondContact O-N 2.65Å; A97-M101 VanDerWaalsContact O-N 3.07Å; Q98-M101 PolarHBondContact O-N 3.31Å; Q98-M101 VanDerWaalsContact O-N 3.14Å; M101-T105 WeakPolarHBondContact O-CB 3.3Å; M101-T105 PolarHBondContact O-N 3.4Å; M101-T105 PolarHBondContact O-OG1 3.22Å; M101-W166 HydrophobicContact CE-CE3 4.39Å; M101-W166 HydrophobicContact CE-CZ3 4.06Å; M101-W166 HydrophobicContact SD-CZ3 4.09Å; M101-A167 HydrophobicContact CE-CB 3.68Å; M101-K172 HydrophobicContact CE-CB 4.48Å; M101-K172 HydrophobicContact SD-CD 4.23Å; M101-K173 VanDerWaalsContact CE-O 3.28Å; M101-K173 WeakPolarHBondContact CE-O 3.36Å; M101-L175 HydrophobicContact CG-CD1 4.21Å; M101-L175 HydrophobicContact CG-CD2 4.18Å; M101-L175 HydrophobicContact CG-CG 4Å
102	D	98.4	Very high	97.2	Very high	29 Å²	29	19.3 Å²	19.3	16%	0.155	10%	0.098	C	C	.	.	H	α-helix	trans	-69.1	-44.9	179.2	-63.2	-26.1	0	0	0	110.7	Q98 Q99 T105 N106 M242 Q518	Q98-D102 PolarHBondContact NE2-OD1 3.24Å; Q98-D102 PolarHBondContact NE2-OD2 2.78Å; Q98-D102 PolarHBondContact O-N 3.18Å; Q99-D102 PolarHBondContact O-N 3.01Å; D102-T105 WeakPolarHBondContact O-CB 3.46Å; D102-T105 PolarHBondContact O-N 2.92Å; D102-N106 PolarHBondContact O-N 2.92Å; D102-N106 PolarHBondContact O-ND2 2.95Å; D102-N106 PolarHBondContact O-OD1 3.5Å; D102-M242 HydrophobicContact CB-CE 3.56Å; D102-M242 HydrophobicContact CB-SD 4.07Å; D102-Q518 HydrophobicContact CB-CB 4.39Å
103	H	98.6	Very high	96.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-42.4	177.4	-170.3	63	0	0	0	112.4	Q99 T105 N106 M107 M242 Y267 P268 F270	Q99-H103 WeakPolarHBondContact O-CB 3.48Å; Q99-H103 PolarHBondContact O-N 3.01Å; H103-T105 VanDerWaalsContact C-N 3.3Å; H103-T105 PolarHBondContact O-N 3Å; H103-N106 PolarHBondContact O-N 2.86Å; H103-N106 VanDerWaalsContact O-N 3.16Å; H103-M107 WeakPolarHBondContact O-CB 3Å; H103-M107 WeakPolarHBondContact O-CG 3.37Å; H103-M107 PolarHBondContact O-N 2.91Å; H103-M242 HydrophobicContact CB-CB 4.34Å; H103-M242 HydrophobicContact CB-CG 4.5Å; H103-M242 HydrophobicContact CB-SD 3.79Å; H103-Y267 AromaticContact CE1-CD1 3.68Å; H103-Y267 AromaticContact NE2-CD1 3.84Å; H103-Y267 AromaticContact NE2-CG 3.98Å; H103-P268 HydrophobicContact CB-CB 4.35Å; H103-P268 HydrophobicContact CB-CG 4.13Å; H103-F270 AromaticContact CD2-CE1 3.6Å; H103-F270 AromaticContact NE2-CE1 3.44Å; H103-F270 WeakPolarHBondContact NE2-CE1 3.29Å; H103-F270 AromaticContact NE2-CZ 3.73Å
104	Y	98.6	Very high	96.4	Very high	36 Å²	36	24.8 Å²	24.8	14%	0.141	13%	0.127	C	C	.	.	H	α-helix	trans	-57.7	-44.2	172	176.6	-94.5	0	0	0	111.5	M100 N106 M107 Y108 L175 D179 F182 L183	M100-Y104 VanDerWaalsContact O-CB 3.23Å; M100-Y104 WeakPolarHBondContact O-CB 3.45Å; M100-Y104 PolarHBondContact O-N 2.98Å; Y104-N106 PolarHBondContact O-N 2.89Å; Y104-M107 PolarHBondContact O-N 3.21Å; Y104-Y108 HydrophobicContact CE1-CD2 4.18Å; Y104-Y108 HydrophobicContact CE1-CG 4.33Å; Y104-Y108 AromaticContact CE2-CD2 3.85Å; Y104-Y108 HydrophobicContact CE2-CD2 3.85Å; Y104-Y108 AromaticContact CZ-CD2 3.46Å; Y104-Y108 VanDerWaalsContact CZ-CD2 3.46Å; Y104-Y108 WeakPolarHBondContact O-CB 3.34Å; Y104-Y108 PolarHBondContact O-N 2.99Å; Y104-Y108 WeakPolarHBondContact OH-CD2 3.49Å; Y104-Y108 WeakPolarHBondContact OH-CE2 3.36Å; Y104-L175 HydrophobicContact CD1-CD2 4.3Å; Y104-L175 HydrophobicContact CG-CD2 4.29Å; Y104-D179 HydrophobicContact CD2-CB 3.93Å; Y104-D179 HydrophobicContact CE2-CB 3.57Å; Y104-D179 WeakPolarHBondContact CE2-OD1 3.44Å; Y104-D179 PolarHBondContact OH-OD1 3.43Å; Y104-F182 AromaticContact CD2-CD1 3.82Å; Y104-F182 HydrophobicContact CD2-CD1 3.82Å; Y104-F182 HydrophobicContact CD2-CE1 4.32Å; Y104-F182 HydrophobicContact CE2-CB 4.43Å; Y104-F182 AromaticContact CE2-CD1 3.79Å; Y104-F182 HydrophobicContact CE2-CD1 3.79Å; Y104-F182 HydrophobicContact CE2-CE1 4.39Å; Y104-F182 HydrophobicContact CE2-CG 4.22Å; Y104-L183 HydrophobicContact CD2-CD2 4.25Å; Y104-L183 HydrophobicContact CD2-CG 4.41Å
105	T	98.2	Very high	96	Very high	52 Å²	52	30.3 Å²	30.3	32%	0.319	16%	0.163	S	C	.	.	H	α-helix	trans	-61.4	-32.4	177.8	-60.2	0	0	0	0	112.7	M101 D102 H103 P109 S516 Q518	M101-T105 WeakPolarHBondContact O-CB 3.3Å; M101-T105 PolarHBondContact O-N 3.4Å; M101-T105 PolarHBondContact O-OG1 3.22Å; D102-T105 WeakPolarHBondContact O-CB 3.46Å; D102-T105 PolarHBondContact O-N 2.92Å; H103-T105 VanDerWaalsContact C-N 3.3Å; H103-T105 PolarHBondContact O-N 3Å; T105-P109 WeakPolarHBondContact O-CD 3.38Å; T105-S516 PolarHBondContact O-OG 3.26Å; T105-Q518 VanDerWaalsContact CG2-CD 3.45Å; T105-Q518 HydrophobicContact CG2-CG 4.24Å; T105-Q518 VanDerWaalsContact CG2-OE1 3.27Å
106	N	97.9	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-77.7	-42.9	176.7	-63.1	-19.7	0	0	0	112	D102 H103 Y104 Q110 A239 S516 H517 Q518	D102-N106 PolarHBondContact O-N 2.92Å; D102-N106 PolarHBondContact O-ND2 2.95Å; D102-N106 PolarHBondContact O-OD1 3.5Å; H103-N106 PolarHBondContact O-N 2.86Å; H103-N106 VanDerWaalsContact O-N 3.16Å; Y104-N106 PolarHBondContact O-N 2.89Å; N106-Q110 WeakPolarHBondContact O-CG 3.45Å; N106-A239 HydrophobicContact CB-CB 4.38Å; N106-S516 PolarHBondContact OD1-OG 3.38Å; N106-S516 VanDerWaalsContact OD1-OG 3.13Å; N106-H517 WeakPolarHBondContact OD1-CA 3.49Å; N106-H517 PolarHBondContact OD1-N 3.49Å; N106-Q518 PolarHBondContact ND2-N 2.91Å; N106-Q518 PolarHBondContact ND2-O 3.32Å; N106-Q518 PolarHBondContact OD1-N 3.31Å
107	M	96.6	Very high	95.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-85.2	-34.8	-171.1	-70.7	-51.1	-54.1	0	0	114.5	H103 Y104 Q110 L111 F182 V186 Y236 T237 A240	H103-M107 WeakPolarHBondContact O-CB 3Å; H103-M107 WeakPolarHBondContact O-CG 3.37Å; H103-M107 PolarHBondContact O-N 2.91Å; Y104-M107 PolarHBondContact O-N 3.21Å; M107-Q110 HydrophobicContact CE-CB 4.32Å; M107-Q110 HydrophobicContact CE-CG 4.39Å; M107-Q110 VanDerWaalsContact O-CB 3.3Å; M107-Q110 WeakPolarHBondContact O-CB 3.39Å; M107-Q110 PolarHBondContact O-N 3.33Å; M107-Q110 HydrophobicContact SD-CG 4.47Å; M107-L111 PolarHBondContact O-N 3.5Å; M107-F182 HydrophobicContact CB-CE1 4.26Å; M107-V186 HydrophobicContact CE-CG1 4.34Å; M107-Y236 HydrophobicContact CE-CD1 4.39Å; M107-Y236 HydrophobicContact CE-CE1 3.41Å; M107-Y236 VanDerWaalsContact CE-CE1 3.41Å; M107-T237 HydrophobicContact CE-CG2 4Å; M107-T237 HydrophobicContact SD-CG2 4.11Å; M107-A240 HydrophobicContact CE-CB 4.43Å; M107-A240 HydrophobicContact SD-CB 3.71Å
108	Y	97	Very high	95.5	Very high	61 Å²	61	36.5 Å²	36.5	24%	0.239	19%	0.191	C	C	.	.	H	α-helix	trans	-50.1	-52.7	179.4	-177.4	-88.3	0	0	0	113.3	Y104 Q110 L111 I112 L118 F178 F182	Y104-Y108 HydrophobicContact CE1-CD2 4.18Å; Y104-Y108 HydrophobicContact CE1-CG 4.33Å; Y104-Y108 AromaticContact CE2-CD2 3.85Å; Y104-Y108 HydrophobicContact CE2-CD2 3.85Å; Y104-Y108 AromaticContact CZ-CD2 3.46Å; Y104-Y108 VanDerWaalsContact CZ-CD2 3.46Å; Y104-Y108 WeakPolarHBondContact O-CB 3.34Å; Y104-Y108 PolarHBondContact O-N 2.99Å; Y104-Y108 WeakPolarHBondContact OH-CD2 3.49Å; Y104-Y108 WeakPolarHBondContact OH-CE2 3.36Å; Y108-Q110 PolarHBondContact O-N 2.87Å; Y108-L111 PolarHBondContact O-N 2.69Å; Y108-I112 HydrophobicContact CD1-CB 4.4Å; Y108-I112 HydrophobicContact CD2-CG1 4.17Å; Y108-I112 HydrophobicContact CE1-CB 3.97Å; Y108-I112 HydrophobicContact CE1-CG2 4.18Å; Y108-I112 HydrophobicContact CE2-CB 4.12Å; Y108-I112 HydrophobicContact CE2-CG1 3.84Å; Y108-I112 HydrophobicContact CE2-CG2 4.45Å; Y108-I112 PolarHBondContact O-N 2.89Å; Y108-L118 HydrophobicContact CE2-CD1 4.43Å; Y108-F178 HydrophobicContact CE2-CE1 4.47Å; Y108-F182 HydrophobicContact CD2-CZ 4.49Å
109	P	94.5	Very high	95.5	Very high	58 Å²	58	38.8 Å²	38.8	38%	0.377	20%	0.202	S	C	.	.	H	α-helix	trans	-70.9	-11.1	-179.8	29.9	-37	0	0	0	114	T105	T105-P109 WeakPolarHBondContact O-CD 3.38Å
110	Q	91.8	Very high	95.5	Very high	31 Å²	31	40.4 Å²	40.4	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-76.9	-29.4	176	-53.6	-66.1	-52.5	0	0	111.8	N106 M107 Y108 L204 T237 A239	N106-Q110 WeakPolarHBondContact O-CG 3.45Å; M107-Q110 HydrophobicContact CE-CB 4.32Å; M107-Q110 HydrophobicContact CE-CG 4.39Å; M107-Q110 VanDerWaalsContact O-CB 3.3Å; M107-Q110 WeakPolarHBondContact O-CB 3.39Å; M107-Q110 PolarHBondContact O-N 3.33Å; M107-Q110 HydrophobicContact SD-CG 4.47Å; Y108-Q110 PolarHBondContact O-N 2.87Å; Q110-L204 WeakPolarHBondContact O-CD1 3.14Å; Q110-T237 HydrophobicContact CB-CG2 4.46Å; Q110-T237 HydrophobicContact CG-CG2 4.06Å; Q110-T237 PolarHBondContact OE1-OG1 2.84Å; Q110-T237 VanDerWaalsContact OE1-OG1 3.07Å; Q110-A239 HydrophobicContact CG-CB 4.26Å
111	L	92.1	Very high	95.4	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-108.7	-46.3	-176.7	-70.2	169.4	0	0	0	112	M107 Y108 T113 F182 V186 L189 L190 I193 L204	M107-L111 PolarHBondContact O-N 3.5Å; Y108-L111 PolarHBondContact O-N 2.69Å; L111-T113 PolarHBondContact O-N 2.7Å; L111-F182 HydrophobicContact CB-CE2 3.99Å; L111-F182 HydrophobicContact CB-CZ 4Å; L111-F182 HydrophobicContact CD1-CE2 3.91Å; L111-F182 HydrophobicContact CD1-CZ 3.64Å; L111-F182 HydrophobicContact CG-CZ 4.36Å; L111-V186 HydrophobicContact CD1-CB 4.3Å; L111-V186 HydrophobicContact CD1-CG1 4.14Å; L111-V186 HydrophobicContact CD1-CG2 3.95Å; L111-L189 HydrophobicContact CD1-CB 4.14Å; L111-L189 HydrophobicContact CD1-CD1 3.92Å; L111-L189 HydrophobicContact CD2-CB 4.39Å; L111-L190 HydrophobicContact CD2-CD2 3.83Å; L111-I193 HydrophobicContact CB-CD1 4.02Å; L111-I193 HydrophobicContact CD2-CD1 4.37Å; L111-I193 WeakPolarHBondContact O-CD1 3.26Å; L111-L204 HydrophobicContact CD2-CD1 3.96Å
112	I	93.9	Very high	95.4	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.056	23%	0.227	C	C	.	.			trans	-92.8	74.3	177	-47.6	-58.8	0	0	0	108.5	Y108 I117 L118 V121 F182 I193	Y108-I112 HydrophobicContact CD1-CB 4.4Å; Y108-I112 HydrophobicContact CD2-CG1 4.17Å; Y108-I112 HydrophobicContact CE1-CB 3.97Å; Y108-I112 HydrophobicContact CE1-CG2 4.18Å; Y108-I112 HydrophobicContact CE2-CB 4.12Å; Y108-I112 HydrophobicContact CE2-CG1 3.84Å; Y108-I112 HydrophobicContact CE2-CG2 4.45Å; Y108-I112 PolarHBondContact O-N 2.89Å; I112-I117 HydrophobicContact CD1-CG2 3.7Å; I112-I117 HydrophobicContact CG2-CB 4.38Å; I112-L118 HydrophobicContact CG2-CB 4.06Å; I112-V121 HydrophobicContact CD1-CG2 4.44Å; I112-F182 HydrophobicContact CD1-CE2 4.32Å; I112-F182 HydrophobicContact CG1-CE2 3.93Å; I112-I193 HydrophobicContact CD1-CD1 4.28Å
113	T	89.8	Confident	95.4	Very high	52 Å²	52	45.4 Å²	45.4	32%	0.319	24%	0.239	S	C	.	.			trans	-78.3	-23.9	-175	56.1	0	0	0	0	113.5	L111 I117	L111-T113 PolarHBondContact O-N 2.7Å; T113-I117 WeakPolarHBondContact OG1-CD1 3.41Å
114	E	89.8	Confident	95.4	Very high	63 Å²	63	46 Å²	46	29%	0.294	24%	0.241	S	C	.	.	S	Bend	trans	-135	144.8	-177.8	-65.1	178.4	-136	0	0	110.8	K116 I117	E114-K116 HydrophobicContact CB-CG 4.16Å; E114-K116 PolarHBondContact O-N 2.84Å; E114-K116 VanDerWaalsContact O-N 3.07Å; E114-K116 IonicContact OE1-NZ 2.92Å; E114-K116 WeakPolarHBondContact OE2-CD 3.42Å; E114-K116 WeakPolarHBondContact OE2-CE 3.31Å; E114-K116 IonicContact OE2-NZ 2.74Å; E114-K116 PolarHBondContact OE2-NZ 2.94Å; E114-I117 HydrophobicContact CB-CD1 4.23Å; E114-I117 HydrophobicContact CB-CG1 4.35Å; E114-I117 WeakPolarHBondContact O-CB 3.16Å; E114-I117 PolarHBondContact O-N 3.31Å
115	P	91.6	Very high	95.4	Very high	123 Å²	123	44.6 Å²	44.6	80%	0.799	24%	0.236	S	C	*	.	H	α-helix	trans	-55.3	-30.9	179.8	-27.8	35.2	0	0	0	114.5	I117 L118	P115-I117 PolarHBondContact O-N 2.99Å; P115-L118 PolarHBondContact O-N 2.97Å
116	K	93.9	Very high	95.4	Very high	103 Å²	103	45.3 Å²	45.3	45%	0.448	24%	0.243	S	C	.	.	H	α-helix	trans	-65.6	-18.3	179.8	76.1	-171.9	-168.9	-151.4	0	113.9	E114 P120 V197	E114-K116 HydrophobicContact CB-CG 4.16Å; E114-K116 PolarHBondContact O-N 2.84Å; E114-K116 VanDerWaalsContact O-N 3.07Å; E114-K116 IonicContact OE1-NZ 2.92Å; E114-K116 WeakPolarHBondContact OE2-CD 3.42Å; E114-K116 WeakPolarHBondContact OE2-CE 3.31Å; E114-K116 IonicContact OE2-NZ 2.74Å; E114-K116 PolarHBondContact OE2-NZ 2.94Å; K116-P120 VanDerWaalsContact O-CD 3.25Å; K116-P120 WeakPolarHBondContact O-CD 3.36Å; K116-P120 WeakPolarHBondContact O-CG 3.26Å; K116-V197 HydrophobicContact CD-CG1 4.42Å; K116-V197 HydrophobicContact CG-CG1 4.29Å
117	I	94.8	Very high	95.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-79	-33.8	-179.4	-60.9	173.6	0	0	0	111.3	I112 T113 E114 P115 P120 V121 I193	I112-I117 HydrophobicContact CD1-CG2 3.7Å; I112-I117 HydrophobicContact CG2-CB 4.38Å; T113-I117 WeakPolarHBondContact OG1-CD1 3.41Å; E114-I117 HydrophobicContact CB-CD1 4.23Å; E114-I117 HydrophobicContact CB-CG1 4.35Å; E114-I117 WeakPolarHBondContact O-CB 3.16Å; E114-I117 PolarHBondContact O-N 3.31Å; P115-I117 PolarHBondContact O-N 2.99Å; I117-P120 WeakPolarHBondContact O-CD 3.28Å; I117-V121 HydrophobicContact CG2-CG2 3.88Å; I117-V121 VanDerWaalsContact O-CG2 3.3Å; I117-V121 WeakPolarHBondContact O-CG2 3.4Å; I117-V121 PolarHBondContact O-N 3.39Å; I117-I193 HydrophobicContact CD1-CG2 4.27Å; I117-I193 HydrophobicContact CG2-CD1 4.09Å; I117-I193 HydrophobicContact CG2-CG1 3.98Å; I117-I193 HydrophobicContact CG2-CG2 3.84Å
118	L	95.9	Very high	95.6	Very high	42 Å²	42	51.5 Å²	51.5	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-53.3	-167.9	178.9	59.4	0	0	0	113.1	Y108 I112 P115 V121 K122 F178	Y108-L118 HydrophobicContact CE2-CD1 4.43Å; I112-L118 HydrophobicContact CG2-CB 4.06Å; P115-L118 PolarHBondContact O-N 2.97Å; L118-V121 PolarHBondContact O-N 3.49Å; L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.25Å; L118-K122 PolarHBondContact O-N 3.11Å; L118-F178 HydrophobicContact CD1-CE1 3.78Å; L118-F178 HydrophobicContact CD1-CZ 3.77Å
119	E	97.1	Very high	95.6	Very high	109 Å²	109	49.3 Å²	49.3	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-43.6	-173.5	-71	-57.4	146.1	0	0	113.7	V121 K122 T123	E119-V121 PolarHBondContact O-N 3.43Å; E119-K122 PolarHBondContact O-N 2.78Å; E119-T123 VanDerWaalsContact O-CB 3.27Å; E119-T123 WeakPolarHBondContact O-CB 3.46Å; E119-T123 PolarHBondContact O-N 2.92Å; E119-T123 PolarHBondContact O-OG1 3.49Å
120	P	97.4	Very high	95.8	Very high	44 Å²	44	49.7 Å²	49.7	29%	0.286	27%	0.267	S	S	.	.	H	α-helix	trans	-57.3	-47.2	172.3	-27.3	35.6	0	0	0	113.2	K116 I117 T123 F124 L196 V197	K116-P120 VanDerWaalsContact O-CD 3.25Å; K116-P120 WeakPolarHBondContact O-CD 3.36Å; K116-P120 WeakPolarHBondContact O-CG 3.26Å; I117-P120 WeakPolarHBondContact O-CD 3.28Å; P120-T123 PolarHBondContact O-N 3.26Å; P120-F124 PolarHBondContact O-N 2.71Å; P120-L196 HydrophobicContact CB-CB 4.14Å; P120-L196 HydrophobicContact CB-CD1 4.41Å; P120-V197 HydrophobicContact CB-CG2 4.09Å; P120-V197 HydrophobicContact CG-CG2 3.96Å
121	V	97.7	Very high	96.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-50.3	179.7	169.6	0	0	0	0	110.8	I112 I117 L118 E119 T123 F124 M125 F178 L189 I193 L196	I112-V121 HydrophobicContact CD1-CG2 4.44Å; I117-V121 HydrophobicContact CG2-CG2 3.88Å; I117-V121 VanDerWaalsContact O-CG2 3.3Å; I117-V121 WeakPolarHBondContact O-CG2 3.4Å; I117-V121 PolarHBondContact O-N 3.39Å; L118-V121 PolarHBondContact O-N 3.49Å; E119-V121 PolarHBondContact O-N 3.43Å; V121-T123 VanDerWaalsContact C-N 3.29Å; V121-T123 PolarHBondContact O-N 3.2Å; V121-F124 PolarHBondContact O-N 3.4Å; V121-M125 HydrophobicContact CG1-CG 4.3Å; V121-M125 HydrophobicContact CG1-SD 3.58Å; V121-M125 VanDerWaalsContact CG1-SD 3.58Å; V121-M125 WeakPolarHBondContact O-CB 3.37Å; V121-M125 VanDerWaalsContact O-CG 3.3Å; V121-M125 WeakPolarHBondContact O-CG 3.31Å; V121-M125 PolarHBondContact O-N 3.27Å; V121-F178 HydrophobicContact CG1-CE2 4.34Å; V121-F178 HydrophobicContact CG1-CZ 4.47Å; V121-L189 HydrophobicContact CG1-CD2 3.5Å; V121-L189 VanDerWaalsContact CG1-CD2 3.5Å; V121-L189 HydrophobicContact CG2-CD2 4.4Å; V121-I193 HydrophobicContact CG2-CG1 3.76Å; V121-L196 HydrophobicContact CG2-CD1 4.31Å
122	K	98	Very high	96.5	Very high	93 Å²	93	49.3 Å²	49.3	40%	0.404	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-40.7	179.2	-171.3	176.5	-176.6	-176.8	0	112	L118 E119 S126 F178	L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.25Å; L118-K122 PolarHBondContact O-N 3.11Å; E119-K122 PolarHBondContact O-N 2.78Å; K122-S126 VanDerWaalsContact O-CB 3.26Å; K122-S126 WeakPolarHBondContact O-CB 3.38Å; K122-S126 PolarHBondContact O-N 3.36Å; K122-F178 HydrophobicContact CB-CD2 4.16Å; K122-F178 HydrophobicContact CB-CE2 3.84Å; K122-F178 HydrophobicContact CB-CZ 4.4Å; K122-F178 HydrophobicContact CG-CD2 3.82Å; K122-F178 HydrophobicContact CG-CE2 4.03Å; K122-F178 HydrophobicContact CG-CG 4.34Å
123	T	98.4	Very high	96.7	Very high	65 Å²	65	52.3 Å²	52.3	40%	0.399	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-46.1	176.2	-61.7	0	0	0	0	111.6	E119 P120 V121 K127	E119-T123 VanDerWaalsContact O-CB 3.27Å; E119-T123 WeakPolarHBondContact O-CB 3.46Å; E119-T123 PolarHBondContact O-N 2.92Å; E119-T123 PolarHBondContact O-OG1 3.49Å; P120-T123 PolarHBondContact O-N 3.26Å; V121-T123 VanDerWaalsContact C-N 3.29Å; V121-T123 PolarHBondContact O-N 3.2Å; T123-K127 HydrophobicContact CG2-CD 4.3Å; T123-K127 WeakPolarHBondContact O-CG 3.24Å; T123-K127 PolarHBondContact O-N 3Å; T123-K127 VanDerWaalsContact O-N 3.11Å
124	F	98.6	Very high	97.1	Very high	14 Å²	14	55 Å²	55	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-50.8	178.2	-176	-80.7	0	0	0	111.1	P120 V121 S126 K127 Q128 L192 L196 I302 T303 P304 L308	P120-F124 PolarHBondContact O-N 2.71Å; V121-F124 PolarHBondContact O-N 3.4Å; F124-S126 VanDerWaalsContact C-N 3.33Å; F124-S126 PolarHBondContact O-N 2.97Å; F124-K127 PolarHBondContact O-N 3.47Å; F124-Q128 HydrophobicContact CD1-CB 4.45Å; F124-Q128 HydrophobicContact CE1-CB 4.33Å; F124-Q128 HydrophobicContact CE1-CG 4.48Å; F124-Q128 WeakPolarHBondContact O-CB 3.47Å; F124-Q128 PolarHBondContact O-N 3.14Å; F124-L192 HydrophobicContact CB-CD2 4.44Å; F124-L192 HydrophobicContact CD1-CD1 3.78Å; F124-L192 HydrophobicContact CD1-CD2 3.4Å; F124-L192 HydrophobicContact CD1-CG 4.21Å; F124-L192 HydrophobicContact CD2-CD1 3.83Å; F124-L192 HydrophobicContact CE1-CD1 3.65Å; F124-L192 HydrophobicContact CE1-CD2 3.73Å; F124-L192 HydrophobicContact CE1-CG 4.36Å; F124-L192 HydrophobicContact CE2-CD1 3.67Å; F124-L192 HydrophobicContact CG-CD1 3.86Å; F124-L192 HydrophobicContact CG-CD2 3.98Å; F124-L192 HydrophobicContact CG-CG 4.45Å; F124-L192 HydrophobicContact CZ-CD1 3.58Å; F124-L196 HydrophobicContact CB-CD1 3.7Å; F124-L196 HydrophobicContact CB-CD2 4.49Å; F124-L196 HydrophobicContact CD2-CD1 4.32Å; F124-L196 HydrophobicContact CD2-CD2 3.91Å; F124-L196 HydrophobicContact CG-CD1 4.12Å; F124-I302 HydrophobicContact CE2-CG2 3.95Å; F124-I302 HydrophobicContact CZ-CG2 3.83Å; F124-T303 VanDerWaalsContact CZ-C 3.46Å; F124-T303 WeakPolarHBondContact CZ-O 3.39Å; F124-P304 HydrophobicContact CD2-CB 4.27Å; F124-P304 HydrophobicContact CE2-CB 4.17Å; F124-P304 HydrophobicContact CE2-CG 4.44Å; F124-P304 VanDerWaalsContact CE2-N 3.34Å; F124-P304 HydrophobicContact CZ-CB 4.3Å; F124-L308 HydrophobicContact CE1-CD2 4.44Å
125	M	98.4	Very high	97.6	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-39.3	-177.9	-67.6	178.5	67.9	0	0	112	V121 Q128 D129 F178 Q181 A185 L189	V121-M125 HydrophobicContact CG1-CG 4.3Å; V121-M125 HydrophobicContact CG1-SD 3.58Å; V121-M125 VanDerWaalsContact CG1-SD 3.58Å; V121-M125 WeakPolarHBondContact O-CB 3.37Å; V121-M125 VanDerWaalsContact O-CG 3.3Å; V121-M125 WeakPolarHBondContact O-CG 3.31Å; V121-M125 PolarHBondContact O-N 3.27Å; M125-Q128 PolarHBondContact O-N 3.01Å; M125-D129 WeakPolarHBondContact O-CB 3.47Å; M125-D129 PolarHBondContact O-N 3.49Å; M125-F178 HydrophobicContact SD-CE2 3.92Å; M125-Q181 VanDerWaalsContact CE-C 3.42Å; M125-Q181 HydrophobicContact CE-CB 3.5Å; M125-Q181 WeakPolarHBondContact CE-O 3.31Å; M125-A185 HydrophobicContact CE-CB 3.82Å; M125-L189 HydrophobicContact SD-CD2 4.13Å
126	S	98.4	Very high	97.9	Very high	66 Å²	66	48.7 Å²	48.7	46%	0.462	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-41.9	175.1	177.1	0	0	0	0	112.6	K122 F124 S130	K122-S126 VanDerWaalsContact O-CB 3.26Å; K122-S126 WeakPolarHBondContact O-CB 3.38Å; K122-S126 PolarHBondContact O-N 3.36Å; F124-S126 VanDerWaalsContact C-N 3.33Å; F124-S126 PolarHBondContact O-N 2.97Å; S126-S130 WeakPolarHBondContact O-CB 3.32Å; S126-S130 PolarHBondContact O-N 2.65Å; S126-S130 PolarHBondContact O-OG 3.4Å
127	K	98.8	Very high	98.1	Very high	124 Å²	124	52 Å²	52	54%	0.539	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-40.9	175.3	-73.1	176.6	177.9	179.5	0	111.7	T123 F124 S130 W131 P304	T123-K127 HydrophobicContact CG2-CD 4.3Å; T123-K127 WeakPolarHBondContact O-CG 3.24Å; T123-K127 PolarHBondContact O-N 3Å; T123-K127 VanDerWaalsContact O-N 3.11Å; F124-K127 PolarHBondContact O-N 3.47Å; K127-S130 PolarHBondContact O-N 2.99Å; K127-W131 WeakPolarHBondContact O-CB 3.37Å; K127-W131 PolarHBondContact O-N 3.2Å; K127-P304 HydrophobicContact CB-CB 3.72Å; K127-P304 HydrophobicContact CB-CG 4.07Å; K127-P304 HydrophobicContact CD-CG 4.42Å
128	Q	98.8	Very high	98.3	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-48.2	179.1	-168.3	-80.9	-34.9	0	0	111.6	F124 M125 S130 W131 V132 P304 S306 L308	F124-Q128 HydrophobicContact CD1-CB 4.45Å; F124-Q128 HydrophobicContact CE1-CB 4.33Å; F124-Q128 HydrophobicContact CE1-CG 4.48Å; F124-Q128 WeakPolarHBondContact O-CB 3.47Å; F124-Q128 PolarHBondContact O-N 3.14Å; M125-Q128 PolarHBondContact O-N 3.01Å; Q128-S130 VanDerWaalsContact C-N 3.33Å; Q128-S130 PolarHBondContact O-N 2.89Å; Q128-W131 PolarHBondContact O-N 3.32Å; Q128-V132 WeakPolarHBondContact O-CG2 3.41Å; Q128-V132 PolarHBondContact O-N 3.11Å; Q128-P304 VanDerWaalsContact CA-O 3.32Å; Q128-P304 WeakPolarHBondContact CA-O 3.3Å; Q128-P304 HydrophobicContact CB-CB 4.08Å; Q128-P304 WeakPolarHBondContact CG-O 3.36Å; Q128-S306 PolarHBondContact NE2-O 2.77Å; Q128-L308 HydrophobicContact CG-CG 4.25Å
129	D	98.7	Very high	98.4	Very high	16 Å²	16	56.8 Å²	56.8	9%	0.086	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-43.6	175	-179.3	81.2	0	0	0	111.8	M125 W131 V132 R133 Q181	M125-D129 WeakPolarHBondContact O-CB 3.47Å; M125-D129 PolarHBondContact O-N 3.49Å; D129-W131 VanDerWaalsContact C-N 3.34Å; D129-W131 PolarHBondContact O-N 3.18Å; D129-V132 PolarHBondContact O-N 3.41Å; D129-R133 WeakPolarHBondContact O-CG 3.48Å; D129-R133 PolarHBondContact O-N 3.39Å; D129-R133 IonicContact OD1-CZ 3.46Å; D129-R133 IonicContact OD1-NE 3.32Å; D129-R133 PolarHBondContact OD1-NE 2.91Å; D129-R133 IonicContact OD1-NH2 3.6Å; D129-R133 WeakPolarHBondContact OD2-CD 3.1Å; D129-R133 IonicContact OD2-CZ 3.81Å; D129-R133 IonicContact OD2-NE 3.24Å; D129-R133 PolarHBondContact OD2-NE 2.97Å; D129-R133 IonicContact OD2-NH2 3.98Å; D129-Q181 PolarHBondContact OD1-NE2 3.41Å
130	S	98.7	Very high	98.3	Very high	66 Å²	66	55.1 Å²	55.1	46%	0.462	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-44.6	176.4	-59.4	0	0	0	0	111.7	S126 K127 Q128 R133 E134	S126-S130 WeakPolarHBondContact O-CB 3.32Å; S126-S130 PolarHBondContact O-N 2.65Å; S126-S130 PolarHBondContact O-OG 3.4Å; K127-S130 PolarHBondContact O-N 2.99Å; Q128-S130 VanDerWaalsContact C-N 3.33Å; Q128-S130 PolarHBondContact O-N 2.89Å; S130-R133 PolarHBondContact O-N 2.88Å; S130-E134 WeakPolarHBondContact O-CB 3.41Å; S130-E134 PolarHBondContact O-N 3.31Å
131	W	98.8	Very high	98.1	Very high	29 Å²	29	57.6 Å²	57.6	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-45	177.6	176	83.3	0	0	0	111.9	K127 Q128 D129 R133 E134 Q135 W146 N305 S306 L307 H333	K127-W131 WeakPolarHBondContact O-CB 3.37Å; K127-W131 PolarHBondContact O-N 3.2Å; Q128-W131 PolarHBondContact O-N 3.32Å; D129-W131 VanDerWaalsContact C-N 3.34Å; D129-W131 PolarHBondContact O-N 3.18Å; W131-R133 PolarHBondContact O-N 3.23Å; W131-E134 WeakPolarHBondContact O-CB 3.31Å; W131-E134 PolarHBondContact O-N 3.08Å; W131-Q135 HydrophobicContact CD2-CG 3.99Å; W131-Q135 HydrophobicContact CE3-CG 4.44Å; W131-Q135 HydrophobicContact CH2-CG 4.17Å; W131-Q135 HydrophobicContact CZ2-CG 3.68Å; W131-Q135 WeakPolarHBondContact O-CG 3.49Å; W131-Q135 PolarHBondContact O-N 3.08Å; W131-W146 AromaticContact CH2-CH2 3.58Å; W131-W146 HydrophobicContact CH2-CH2 3.58Å; W131-W146 HydrophobicContact CH2-CZ2 4.06Å; W131-W146 HydrophobicContact CZ2-CH2 4.29Å; W131-W146 AromaticContact CZ3-CH2 3.77Å; W131-W146 HydrophobicContact CZ3-CH2 3.77Å; W131-N305 HydrophobicContact CD2-CB 4.25Å; W131-N305 HydrophobicContact CG-CB 4.24Å; W131-N305 HydrophobicContact CZ2-CB 4.5Å; W131-S306 WeakPolarHBondContact CZ3-O 3.46Å; W131-L307 HydrophobicContact CZ3-CD2 4.34Å; W131-L307 HydrophobicContact CZ3-CG 4.17Å; W131-H333 HydrophobicContact CH2-CB 4.29Å; W131-H333 AromaticContact CH2-ND1 3.78Å
132	V	98.8	Very high	98	Very high	2 Å²	2	62 Å²	62	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-48.2	176.5	172.2	0	0	0	0	110.8	Q128 D129 E134 Q135 V136 W146 V153 L307	Q128-V132 WeakPolarHBondContact O-CG2 3.41Å; Q128-V132 PolarHBondContact O-N 3.11Å; D129-V132 PolarHBondContact O-N 3.41Å; V132-E134 VanDerWaalsContact C-N 3.28Å; V132-E134 PolarHBondContact O-N 3.45Å; V132-Q135 PolarHBondContact O-N 3.14Å; V132-V136 HydrophobicContact CG1-CG2 4.3Å; V132-V136 VanDerWaalsContact O-CG2 3.29Å; V132-V136 WeakPolarHBondContact O-CG2 3.4Å; V132-V136 PolarHBondContact O-N 2.87Å; V132-W146 HydrophobicContact CG1-CZ3 4.47Å; V132-V153 HydrophobicContact CG1-CG2 3.84Å; V132-L307 HydrophobicContact CG1-CD2 4.29Å; V132-L307 HydrophobicContact CG2-CD2 3.66Å
133	R	98.7	Very high	98	Very high	73 Å²	73	59.8 Å²	59.8	28%	0.275	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-37.1	179	-70.2	176.3	-172.9	-88.8	-1.5	112.1	D129 S130 W131 K137 V153 D157	D129-R133 WeakPolarHBondContact O-CG 3.48Å; D129-R133 PolarHBondContact O-N 3.39Å; D129-R133 IonicContact OD1-CZ 3.46Å; D129-R133 IonicContact OD1-NE 3.32Å; D129-R133 PolarHBondContact OD1-NE 2.91Å; D129-R133 IonicContact OD1-NH2 3.6Å; D129-R133 WeakPolarHBondContact OD2-CD 3.1Å; D129-R133 IonicContact OD2-CZ 3.81Å; D129-R133 IonicContact OD2-NE 3.24Å; D129-R133 PolarHBondContact OD2-NE 2.97Å; D129-R133 IonicContact OD2-NH2 3.98Å; S130-R133 PolarHBondContact O-N 2.88Å; W131-R133 PolarHBondContact O-N 3.23Å; R133-K137 WeakPolarHBondContact O-CB 3.13Å; R133-K137 PolarHBondContact O-N 3.44Å; R133-V153 HydrophobicContact CG-CG1 4.13Å; R133-V153 VanDerWaalsContact CZ-CG1 3.45Å; R133-D157 IonicContact CZ-OD1 3.83Å; R133-D157 IonicContact CZ-OD2 2.76Å; R133-D157 IonicContact NH1-OD1 3Å; R133-D157 PolarHBondContact NH1-OD1 3.06Å; R133-D157 IonicContact NH1-OD2 3.38Å; R133-D157 PolarHBondContact NH1-OD2 2.83Å; R133-D157 IonicContact NH2-OD1 3.48Å; R133-D157 PolarHBondContact NH2-OD1 2.93Å; R133-D157 IonicContact NH2-OD2 3.89Å
134	E	98.7	Very high	98	Very high	110 Å²	110	58.4 Å²	58.4	51%	0.514	31%	0.308	S	S	.	.	H	α-helix	trans	-64.6	-47.7	173.6	-176.3	174.8	-162.4	0	0	111.7	S130 W131 V132 V136 K137 L138	S130-E134 WeakPolarHBondContact O-CB 3.41Å; S130-E134 PolarHBondContact O-N 3.31Å; W131-E134 WeakPolarHBondContact O-CB 3.31Å; W131-E134 PolarHBondContact O-N 3.08Å; V132-E134 VanDerWaalsContact C-N 3.28Å; V132-E134 PolarHBondContact O-N 3.45Å; E134-V136 PolarHBondContact O-N 2.9Å; E134-K137 WeakPolarHBondContact O-CB 3.39Å; E134-K137 PolarHBondContact O-N 3.18Å; E134-K137 VanDerWaalsContact O-N 3.17Å; E134-L138 HydrophobicContact CG-CD1 3.91Å; E134-L138 HydrophobicContact CG-CG 4.46Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.38Å; E134-L138 PolarHBondContact O-N 3.32Å
135	Q	98.7	Very high	98	Very high	39 Å²	39	57.9 Å²	57.9	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-40.6	177.5	-68	-54.5	-58.8	0	0	112.4	W131 V132 K137 L138 N139 W146	W131-Q135 HydrophobicContact CD2-CG 3.99Å; W131-Q135 HydrophobicContact CE3-CG 4.44Å; W131-Q135 HydrophobicContact CH2-CG 4.17Å; W131-Q135 HydrophobicContact CZ2-CG 3.68Å; W131-Q135 WeakPolarHBondContact O-CG 3.49Å; W131-Q135 PolarHBondContact O-N 3.08Å; V132-Q135 PolarHBondContact O-N 3.14Å; Q135-K137 PolarHBondContact O-N 3.46Å; Q135-L138 PolarHBondContact O-N 3.06Å; Q135-N139 VanDerWaalsContact O-CB 3.32Å; Q135-N139 WeakPolarHBondContact O-CB 3.39Å; Q135-N139 PolarHBondContact O-N 3.33Å; Q135-N139 PolarHBondContact O-ND2 2.98Å; Q135-N139 PolarHBondContact OE1-ND2 3.01Å; Q135-W146 HydrophobicContact CB-CD2 3.79Å; Q135-W146 HydrophobicContact CB-CE3 3.52Å; Q135-W146 HydrophobicContact CB-CH2 3.36Å; Q135-W146 HydrophobicContact CB-CZ2 3.59Å; Q135-W146 HydrophobicContact CB-CZ3 3.32Å; Q135-W146 HydrophobicContact CG-CH2 3.64Å; Q135-W146 HydrophobicContact CG-CZ2 3.78Å; Q135-W146 HydrophobicContact CG-CZ3 4.1Å
136	V	98.7	Very high	98	Very high	14 Å²	14	57.9 Å²	57.9	9%	0.085	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-49.2	172.4	169.2	0	0	0	0	110.2	V132 E134 L138 N139 K140 W146 A149	V132-V136 HydrophobicContact CG1-CG2 4.3Å; V132-V136 VanDerWaalsContact O-CG2 3.29Å; V132-V136 WeakPolarHBondContact O-CG2 3.4Å; V132-V136 PolarHBondContact O-N 2.87Å; E134-V136 PolarHBondContact O-N 2.9Å; V136-L138 VanDerWaalsContact C-N 3.29Å; V136-L138 PolarHBondContact O-N 3.49Å; V136-N139 PolarHBondContact O-N 2.97Å; V136-K140 HydrophobicContact CG1-CB 4.34Å; V136-K140 HydrophobicContact CG1-CD 4.1Å; V136-K140 WeakPolarHBondContact O-CB 3.31Å; V136-K140 WeakPolarHBondContact O-CG 3.45Å; V136-K140 PolarHBondContact O-N 3.03Å; V136-W146 HydrophobicContact CG2-CE3 4.09Å; V136-A149 HydrophobicContact CG2-CB 3.85Å
137	K	98.3	Very high	98	Very high	172 Å²	172	58.4 Å²	58.4	75%	0.748	30%	0.298	S	S	*	.	H	α-helix	trans	-59.5	-40	179.9	-177.5	-177.2	176.4	-174.3	0	112.4	R133 E134 Q135	R133-K137 WeakPolarHBondContact O-CB 3.13Å; R133-K137 PolarHBondContact O-N 3.44Å; E134-K137 WeakPolarHBondContact O-CB 3.39Å; E134-K137 PolarHBondContact O-N 3.18Å; E134-K137 VanDerWaalsContact O-N 3.17Å; Q135-K137 PolarHBondContact O-N 3.46Å
138	L	98.3	Very high	98	Very high	100 Å²	100	52.5 Å²	52.5	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-77.5	-36.5	-176.9	-67.9	172.5	0	0	0	113	E134 Q135 V136	E134-L138 HydrophobicContact CG-CD1 3.91Å; E134-L138 HydrophobicContact CG-CG 4.46Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.38Å; E134-L138 PolarHBondContact O-N 3.32Å; Q135-L138 PolarHBondContact O-N 3.06Å; V136-L138 VanDerWaalsContact C-N 3.29Å; V136-L138 PolarHBondContact O-N 3.49Å
139	N	98	Very high	98	Very high	44 Å²	44	52.4 Å²	52.4	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-118.6	-9.1	-163.3	-56.7	-49.8	0	0	0	115	Q135 V136 S141 S142 D143 W146	Q135-N139 VanDerWaalsContact O-CB 3.32Å; Q135-N139 WeakPolarHBondContact O-CB 3.39Å; Q135-N139 PolarHBondContact O-N 3.33Å; Q135-N139 PolarHBondContact O-ND2 2.98Å; Q135-N139 PolarHBondContact OE1-ND2 3.01Å; V136-N139 PolarHBondContact O-N 2.97Å; N139-S141 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-N 2.78Å; N139-S142 PolarHBondContact O-OG 3.17Å; N139-D143 PolarHBondContact O-N 2.8Å; N139-W146 HydrophobicContact CB-CB 3.76Å; N139-W146 HydrophobicContact CB-CG 3.63Å
140	K	95.1	Very high	98	Very high	74 Å²	74	51.9 Å²	51.9	32%	0.322	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.4	-175.4	70.8	-179.7	-167.2	168.5	0	115.3	E82 V136 R147	E82-K140 IonicContact OE1-NZ 3.32Å; E82-K140 PolarHBondContact OE1-NZ 3.23Å; E82-K140 IonicContact OE2-NZ 3.36Å; E82-K140 PolarHBondContact OE2-NZ 2.82Å; V136-K140 HydrophobicContact CG1-CB 4.34Å; V136-K140 HydrophobicContact CG1-CD 4.1Å; V136-K140 WeakPolarHBondContact O-CB 3.31Å; V136-K140 WeakPolarHBondContact O-CG 3.45Å; V136-K140 PolarHBondContact O-N 3.03Å; K140-R147 HydrophobicContact CB-CB 4.49Å; K140-R147 PolarHBondContact O-NE 3.42Å; K140-R147 PolarHBondContact O-NH2 3.01Å
141	S	94	Very high	98	Very high	96 Å²	96	49 Å²	49	67%	0.671	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-25.4	176.8	52.9	0	0	0	0	112.9	N139 R147	N139-S141 PolarHBondContact O-N 2.93Å; S141-R147 PolarHBondContact O-NH2 2.67Å
142	S	95.6	Very high	98	Very high	92 Å²	92	47.9 Å²	47.9	64%	0.643	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-20	-170	53.2	0	0	0	0	114.9	N139	N139-S142 PolarHBondContact O-N 2.78Å; N139-S142 PolarHBondContact O-OG 3.17Å
143	D	97.5	Very high	98	Very high	46 Å²	46	48.4 Å²	48.4	25%	0.246	25%	0.249	C	C	.	.			trans	-125	117.9	-178.3	-171.9	-16.5	0	0	0	111.2	N139 L145 W146 R147	N139-D143 PolarHBondContact O-N 2.8Å; D143-L145 PolarHBondContact O-N 2.69Å; D143-L145 VanDerWaalsContact OD1-CB 3.24Å; D143-L145 WeakPolarHBondContact OD1-CB 3.24Å; D143-L145 PolarHBondContact OD1-N 2.92Å; D143-W146 HydrophobicContact CB-CB 4.41Å; D143-W146 PolarHBondContact O-N 3.04Å; D143-W146 VanDerWaalsContact O-N 3.14Å; D143-R147 PolarHBondContact O-N 2.89Å
144	P	97.7	Very high	98	Very high	36 Å²	36	45.5 Å²	45.5	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-55.4	-33.3	175.7	-26	35.1	0	0	0	113.6	W146 R147 H148 H256 L319	P144-W146 PolarHBondContact O-N 2.87Å; P144-R147 PolarHBondContact O-N 2.89Å; P144-H148 PolarHBondContact O-CD2 3Å; P144-H148 VanDerWaalsContact O-CD2 3.32Å; P144-H148 PolarHBondContact O-N 2.84Å; P144-H256 HydrophobicContact CB-CB 3.97Å; P144-H256 HydrophobicContact CG-CB 4.2Å; P144-L319 HydrophobicContact CB-CD2 4.24Å
145	L	98.6	Very high	98	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-49.8	176.8	-173.2	82.9	0	0	0	110.7	D143 R147 H148 A149 L315 L319 I329 K332	D143-L145 PolarHBondContact O-N 2.69Å; D143-L145 VanDerWaalsContact OD1-CB 3.24Å; D143-L145 WeakPolarHBondContact OD1-CB 3.24Å; D143-L145 PolarHBondContact OD1-N 2.92Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-H148 PolarHBondContact O-N 2.91Å; L145-A149 WeakPolarHBondContact O-CB 3.42Å; L145-A149 PolarHBondContact O-N 2.83Å; L145-L315 HydrophobicContact CD1-CB 4.21Å; L145-L315 HydrophobicContact CD1-CD1 3.92Å; L145-L315 HydrophobicContact CD1-CD2 4.44Å; L145-L315 HydrophobicContact CD1-CG 4.42Å; L145-L315 HydrophobicContact CG-CD1 4.25Å; L145-L315 WeakPolarHBondContact O-CD2 3.15Å; L145-L319 HydrophobicContact CD1-CD1 4.24Å; L145-I329 HydrophobicContact CD1-CG2 3.89Å; L145-K332 HydrophobicContact CD1-CD 4.25Å; L145-K332 HydrophobicContact CD2-CB 4.18Å; L145-K332 HydrophobicContact CD2-CD 3.82Å
146	W	98.6	Very high	98	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-74.7	-25.6	-177.9	-71.3	114.6	0	0	0	112.9	W131 V132 Q135 V136 N139 D143 P144 A149 G150 L307 H333	W131-W146 AromaticContact CH2-CH2 3.58Å; W131-W146 HydrophobicContact CH2-CH2 3.58Å; W131-W146 HydrophobicContact CH2-CZ2 4.06Å; W131-W146 HydrophobicContact CZ2-CH2 4.29Å; W131-W146 AromaticContact CZ3-CH2 3.77Å; W131-W146 HydrophobicContact CZ3-CH2 3.77Å; V132-W146 HydrophobicContact CG1-CZ3 4.47Å; Q135-W146 HydrophobicContact CB-CD2 3.79Å; Q135-W146 HydrophobicContact CB-CE3 3.52Å; Q135-W146 HydrophobicContact CB-CH2 3.36Å; Q135-W146 HydrophobicContact CB-CZ2 3.59Å; Q135-W146 HydrophobicContact CB-CZ3 3.32Å; Q135-W146 HydrophobicContact CG-CH2 3.64Å; Q135-W146 HydrophobicContact CG-CZ2 3.78Å; Q135-W146 HydrophobicContact CG-CZ3 4.1Å; V136-W146 HydrophobicContact CG2-CE3 4.09Å; N139-W146 HydrophobicContact CB-CB 3.76Å; N139-W146 HydrophobicContact CB-CG 3.63Å; D143-W146 HydrophobicContact CB-CB 4.41Å; D143-W146 PolarHBondContact O-N 3.04Å; D143-W146 VanDerWaalsContact O-N 3.14Å; P144-W146 PolarHBondContact O-N 2.87Å; W146-A149 HydrophobicContact CE3-CB 3.85Å; W146-A149 HydrophobicContact CZ3-CB 4.26Å; W146-G150 PolarHBondContact O-N 2.85Å; W146-G150 VanDerWaalsContact O-N 3.08Å; W146-L307 HydrophobicContact CH2-CD1 4.18Å; W146-L307 HydrophobicContact CH2-CD2 4.16Å; W146-L307 HydrophobicContact CH2-CG 4.17Å; W146-L307 HydrophobicContact CZ3-CD1 4.45Å; W146-L307 HydrophobicContact CZ3-CD2 4.03Å; W146-L307 HydrophobicContact CZ3-CG 4.49Å; W146-H333 AromaticContact CE2-NE2 3.97Å; W146-H333 AromaticContact CZ2-CD2 3.77Å; W146-H333 AromaticContact CZ2-CE1 3.78Å; W146-H333 AromaticContact CZ2-NE2 3.42Å; W146-H333 WeakPolarHBondContact CZ2-NE2 3.28Å
147	R	98.5	Very high	98	Very high	76 Å²	76	40.2 Å²	40.2	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-64.6	-49.6	168.8	-172.8	168.9	-67.9	173.2	-0.5	111.5	K140 S141 D143 P144 L145 A149 G150 F151 E254	K140-R147 HydrophobicContact CB-CB 4.49Å; K140-R147 PolarHBondContact O-NE 3.42Å; K140-R147 PolarHBondContact O-NH2 3.01Å; S141-R147 PolarHBondContact O-NH2 2.67Å; D143-R147 PolarHBondContact O-N 2.89Å; P144-R147 PolarHBondContact O-N 2.89Å; L145-R147 VanDerWaalsContact C-N 3.34Å; R147-A149 VanDerWaalsContact C-N 3.33Å; R147-A149 PolarHBondContact O-N 2.88Å; R147-G150 WeakPolarHBondContact O-CA 3.32Å; R147-G150 PolarHBondContact O-N 2.95Å; R147-G150 VanDerWaalsContact O-N 3.08Å; R147-F151 HydrophobicContact CG-CE1 3.99Å; R147-F151 HydrophobicContact CG-CE2 4.31Å; R147-F151 HydrophobicContact CG-CZ 3.67Å; R147-F151 WeakPolarHBondContact O-CD1 3.45Å; R147-F151 PolarHBondContact O-N 2.71Å; R147-E254 WeakPolarHBondContact CD-OE1 3.38Å; R147-E254 HydrophobicContact CG-CG 4.06Å; R147-E254 IonicContact CZ-OE1 3.92Å; R147-E254 IonicContact NE-OE1 2.77Å; R147-E254 IonicContact NH1-OE1 2.66Å; R147-E254 PolarHBondContact NH1-OE1 3.1Å
148	H	98.8	Very high	98	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-31.4	175.7	-80.8	-103.3	0	0	0	113	P144 L145 G150 F151 I152 T257 L315 S318 L319	P144-H148 PolarHBondContact O-CD2 3Å; P144-H148 VanDerWaalsContact O-CD2 3.32Å; P144-H148 PolarHBondContact O-N 2.84Å; L145-H148 PolarHBondContact O-N 2.91Å; H148-G150 PolarHBondContact O-N 3.19Å; H148-F151 HydrophobicContact CB-CD2 4.36Å; H148-F151 AromaticContact CG-CD2 3.94Å; H148-F151 AromaticContact ND1-CD2 3.81Å; H148-F151 AromaticContact NE2-CE2 3.99Å; H148-F151 WeakPolarHBondContact O-CB 3.46Å; H148-F151 PolarHBondContact O-N 3.45Å; H148-F151 VanDerWaalsContact O-N 3.11Å; H148-I152 WeakPolarHBondContact O-CG1 3.46Å; H148-I152 PolarHBondContact O-N 3.28Å; H148-T257 PolarHBondContact CE1-OG1 2.97Å; H148-T257 PolarHBondContact NE2-OG1 2.85Å; H148-L315 HydrophobicContact CB-CD2 3.61Å; H148-S318 VanDerWaalsContact ND1-CB 3.31Å; H148-S318 WeakPolarHBondContact ND1-CB 3.11Å; H148-L319 HydrophobicContact CB-CD1 4.43Å
149	A	98.8	Very high	98	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-37.2	171.2	0	0	0	0	0	110.9	V136 L145 W146 R147 F151 I152 V153 L315	V136-A149 HydrophobicContact CG2-CB 3.85Å; L145-A149 WeakPolarHBondContact O-CB 3.42Å; L145-A149 PolarHBondContact O-N 2.83Å; W146-A149 HydrophobicContact CE3-CB 3.85Å; W146-A149 HydrophobicContact CZ3-CB 4.26Å; R147-A149 VanDerWaalsContact C-N 3.33Å; R147-A149 PolarHBondContact O-N 2.88Å; A149-F151 VanDerWaalsContact C-N 3.34Å; A149-F151 PolarHBondContact O-N 2.82Å; A149-I152 PolarHBondContact O-N 3.1Å; A149-V153 WeakPolarHBondContact O-CG2 3.42Å; A149-V153 PolarHBondContact O-N 2.78Å; A149-L315 HydrophobicContact CB-CD2 4.18Å
150	G	98.8	Very high	98.1	Very high	6 Å²	6	27.9 Å²	27.9	6%	0.062	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-40.2	170.9	0	0	0	0	0	113.2	W146 R147 H148 V153 A154	W146-G150 PolarHBondContact O-N 2.85Å; W146-G150 VanDerWaalsContact O-N 3.08Å; R147-G150 WeakPolarHBondContact O-CA 3.32Å; R147-G150 PolarHBondContact O-N 2.95Å; R147-G150 VanDerWaalsContact O-N 3.08Å; H148-G150 PolarHBondContact O-N 3.19Å; G150-V153 PolarHBondContact O-N 2.85Å; G150-A154 WeakPolarHBondContact O-CB 3.45Å; G150-A154 PolarHBondContact O-N 2.93Å
151	F	98.8	Very high	98.2	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-43.7	175.1	-56.9	-19.1	0	0	0	112	D81 E82 F85 R147 H148 A149 V153 A154 Q155 I252 E254	D81-F151 HydrophobicContact CB-CD1 4.17Å; D81-F151 HydrophobicContact CB-CE1 3.5Å; D81-F151 HydrophobicContact CB-CE2 3.94Å; D81-F151 HydrophobicContact CB-CZ 3.36Å; E82-F151 HydrophobicContact CG-CD1 3.81Å; E82-F151 HydrophobicContact CG-CE1 3.88Å; F85-F151 HydrophobicContact CB-CB 4.27Å; F85-F151 WeakPolarHBondContact CB-O 3.41Å; F85-F151 HydrophobicContact CD1-CB 3.72Å; F85-F151 WeakPolarHBondContact CD1-O 3.5Å; F85-F151 HydrophobicContact CD2-CB 3.78Å; F85-F151 HydrophobicContact CD2-CD2 4.41Å; F85-F151 HydrophobicContact CD2-CG 4.12Å; F85-F151 HydrophobicContact CE1-CB 3.87Å; F85-F151 HydrophobicContact CE2-CB 3.91Å; F85-F151 AromaticContact CE2-CD2 3.97Å; F85-F151 HydrophobicContact CE2-CD2 3.97Å; F85-F151 HydrophobicContact CE2-CG 4.12Å; F85-F151 HydrophobicContact CG-CB 3.67Å; F85-F151 HydrophobicContact CG-CG 4.46Å; F85-F151 HydrophobicContact CZ-CB 3.96Å; F85-F151 HydrophobicContact CZ-CD2 4.27Å; F85-F151 HydrophobicContact CZ-CG 4.5Å; R147-F151 HydrophobicContact CG-CE1 3.99Å; R147-F151 HydrophobicContact CG-CE2 4.31Å; R147-F151 HydrophobicContact CG-CZ 3.67Å; R147-F151 WeakPolarHBondContact O-CD1 3.45Å; R147-F151 PolarHBondContact O-N 2.71Å; H148-F151 HydrophobicContact CB-CD2 4.36Å; H148-F151 AromaticContact CG-CD2 3.94Å; H148-F151 AromaticContact ND1-CD2 3.81Å; H148-F151 AromaticContact NE2-CE2 3.99Å; H148-F151 WeakPolarHBondContact O-CB 3.46Å; H148-F151 PolarHBondContact O-N 3.45Å; H148-F151 VanDerWaalsContact O-N 3.11Å; A149-F151 VanDerWaalsContact C-N 3.34Å; A149-F151 PolarHBondContact O-N 2.82Å; F151-V153 PolarHBondContact O-N 3.36Å; F151-A154 PolarHBondContact O-N 2.69Å; F151-Q155 PolarHBondContact O-N 3.49Å; F151-I252 HydrophobicContact CE2-CG2 4.1Å; F151-E254 HydrophobicContact CE2-CB 4.08Å; F151-E254 HydrophobicContact CE2-CG 4.27Å; F151-E254 HydrophobicContact CZ-CB 4.19Å; F151-E254 HydrophobicContact CZ-CG 4.16Å
152	I	98.8	Very high	98.5	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-43.7	176.8	-66.8	166.1	0	0	0	111	H148 A149 Q155 L156 W310 R314 L315	H148-I152 WeakPolarHBondContact O-CG1 3.46Å; H148-I152 PolarHBondContact O-N 3.28Å; A149-I152 PolarHBondContact O-N 3.1Å; I152-Q155 PolarHBondContact O-N 3.07Å; I152-L156 PolarHBondContact O-N 3.3Å; I152-W310 HydrophobicContact CG2-CE3 4.48Å; I152-W310 HydrophobicContact CG2-CH2 3.67Å; I152-W310 HydrophobicContact CG2-CZ3 3.45Å; I152-W310 VanDerWaalsContact CG2-CZ3 3.45Å; I152-R314 HydrophobicContact CD1-CB 3.58Å; I152-R314 HydrophobicContact CG1-CB 4.21Å; I152-L315 HydrophobicContact CD1-CD2 3.73Å; I152-L315 HydrophobicContact CD1-CG 3.72Å
153	V	98.7	Very high	98.6	Very high	13 Å²	13	16.4 Å²	16.4	8%	0.079	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-43.9	175.4	170	0	0	0	0	111	V132 R133 A149 G150 F151 Q155 L156 D157	V132-V153 HydrophobicContact CG1-CG2 3.84Å; R133-V153 HydrophobicContact CG-CG1 4.13Å; R133-V153 VanDerWaalsContact CZ-CG1 3.45Å; A149-V153 WeakPolarHBondContact O-CG2 3.42Å; A149-V153 PolarHBondContact O-N 2.78Å; G150-V153 PolarHBondContact O-N 2.85Å; F151-V153 PolarHBondContact O-N 3.36Å; V153-Q155 VanDerWaalsContact C-N 3.34Å; V153-Q155 PolarHBondContact O-N 3.33Å; V153-L156 WeakPolarHBondContact O-CB 3.24Å; V153-L156 PolarHBondContact O-N 2.98Å; V153-D157 PolarHBondContact O-N 3.42Å
154	A	98.8	Very high	98.6	Very high	13 Å²	13	15.3 Å²	15.3	11%	0.107	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-41.1	176.9	0	0	0	0	0	112	E82 F85 Y86 G150 F151 L156 D157 G158	E82-A154 WeakPolarHBondContact O-CB 3.44Å; F85-A154 HydrophobicContact CB-CB 4.39Å; Y86-A154 WeakPolarHBondContact CA-O 3.47Å; Y86-A154 WeakPolarHBondContact CD2-O 3.43Å; G150-A154 WeakPolarHBondContact O-CB 3.45Å; G150-A154 PolarHBondContact O-N 2.93Å; F151-A154 PolarHBondContact O-N 2.69Å; A154-L156 PolarHBondContact O-N 3.13Å; A154-D157 PolarHBondContact O-N 3.43Å; A154-G158 PolarHBondContact O-N 2.9Å
155	Q	98.9	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-39.3	174.9	-165.2	-176.3	12.8	0	0	112.4	F85 G89 F151 I152 V153 G158 L159 L271	F85-Q155 HydrophobicContact CB-CB 4.17Å; F85-Q155 HydrophobicContact CD1-CB 4.04Å; F85-Q155 VanDerWaalsContact O-CA 3.3Å; F85-Q155 WeakPolarHBondContact O-CA 3.33Å; G89-Q155 WeakPolarHBondContact CA-O 3.45Å; F151-Q155 PolarHBondContact O-N 3.49Å; I152-Q155 PolarHBondContact O-N 3.07Å; V153-Q155 VanDerWaalsContact C-N 3.34Å; V153-Q155 PolarHBondContact O-N 3.33Å; Q155-G158 PolarHBondContact O-N 3.39Å; Q155-L159 WeakPolarHBondContact O-CB 3.33Å; Q155-L159 PolarHBondContact O-N 2.82Å; Q155-L271 HydrophobicContact CB-CD1 4.05Å; Q155-L271 HydrophobicContact CG-CD1 3.77Å; Q155-L271 HydrophobicContact CG-CD2 4.13Å
156	L	98.8	Very high	98.7	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-43.1	176	-167.9	73.4	0	0	0	111.7	I152 V153 A154 G158 L159 Q160 I180 Q181 L271 W310	I152-L156 PolarHBondContact O-N 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.24Å; V153-L156 PolarHBondContact O-N 2.98Å; A154-L156 PolarHBondContact O-N 3.13Å; L156-G158 VanDerWaalsContact C-N 3.33Å; L156-L159 WeakPolarHBondContact O-CB 3.5Å; L156-L159 PolarHBondContact O-N 3.44Å; L156-Q160 PolarHBondContact O-N 2.85Å; L156-Q160 VanDerWaalsContact O-N 3.08Å; L156-I180 HydrophobicContact CD1-CG2 3.66Å; L156-I180 HydrophobicContact CG-CG2 4.3Å; L156-Q181 HydrophobicContact CD2-CG 4.13Å; L156-L271 HydrophobicContact CB-CD1 4.23Å; L156-L271 HydrophobicContact CD1-CD1 4.04Å; L156-W310 HydrophobicContact CD1-CH2 4.38Å; L156-W310 HydrophobicContact CD2-CH2 4.49Å
157	D	98.8	Very high	98.6	Very high	47 Å²	47	16.8 Å²	16.8	25%	0.251	9%	0.09	S	C	.	.	H	α-helix	trans	-64.1	-40.8	175.8	-69.7	-18.7	0	0	0	111	Y86 R133 V153 A154 Q160 A161	Y86-D157 HydrophobicContact CD2-CB 4.18Å; Y86-D157 HydrophobicContact CE2-CB 4.16Å; R133-D157 IonicContact CZ-OD1 3.83Å; R133-D157 IonicContact CZ-OD2 2.76Å; R133-D157 IonicContact NH1-OD1 3Å; R133-D157 PolarHBondContact NH1-OD1 3.06Å; R133-D157 IonicContact NH1-OD2 3.38Å; R133-D157 PolarHBondContact NH1-OD2 2.83Å; R133-D157 IonicContact NH2-OD1 3.48Å; R133-D157 PolarHBondContact NH2-OD1 2.93Å; R133-D157 IonicContact NH2-OD2 3.89Å; V153-D157 PolarHBondContact O-N 3.42Å; A154-D157 PolarHBondContact O-N 3.43Å; D157-Q160 PolarHBondContact O-N 3.09Å; D157-A161 WeakPolarHBondContact O-CB 3.32Å; D157-A161 PolarHBondContact O-N 3.34Å
158	G	98.8	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-49	172.8	0	0	0	0	0	112.3	Y86 Y90 A154 Q155 L156 Q160 A161 G162	Y86-G158 VanDerWaalsContact O-CA 3.24Å; Y86-G158 WeakPolarHBondContact O-CA 3.48Å; Y90-G158 WeakPolarHBondContact CA-O 3.17Å; Y90-G158 VanDerWaalsContact N-C 3.27Å; Y90-G158 PolarHBondContact N-O 3.19Å; A154-G158 PolarHBondContact O-N 2.9Å; Q155-G158 PolarHBondContact O-N 3.39Å; L156-G158 VanDerWaalsContact C-N 3.33Å; G158-Q160 VanDerWaalsContact C-N 3.32Å; G158-Q160 PolarHBondContact O-N 3Å; G158-A161 PolarHBondContact O-N 2.84Å; G158-A161 VanDerWaalsContact O-N 3.09Å; G158-G162 PolarHBondContact O-N 3.31Å
159	L	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.4	-46.6	178.4	-177.7	76.7	0	0	0	111.7	G89 E92 G93 M100 Q155 L156 A163 I180 G269 L271	G89-L159 VanDerWaalsContact C-N 3.29Å; G89-L159 WeakPolarHBondContact O-CA 3.49Å; G89-L159 PolarHBondContact O-N 3.32Å; E92-L159 HydrophobicContact CB-CD1 4.12Å; E92-L159 HydrophobicContact CG-CD1 3.75Å; G93-L159 WeakPolarHBondContact CA-O 3.49Å; M100-L159 HydrophobicContact CE-CD1 4.17Å; M100-L159 HydrophobicContact CE-CD2 4.25Å; M100-L159 HydrophobicContact CE-CG 4.01Å; M100-L159 HydrophobicContact SD-CD1 4.33Å; Q155-L159 WeakPolarHBondContact O-CB 3.33Å; Q155-L159 PolarHBondContact O-N 2.82Å; L156-L159 WeakPolarHBondContact O-CB 3.5Å; L156-L159 PolarHBondContact O-N 3.44Å; L159-A163 WeakPolarHBondContact O-CB 3.41Å; L159-A163 PolarHBondContact O-N 3.31Å; L159-A163 VanDerWaalsContact O-N 3.08Å; L159-I180 HydrophobicContact CD2-CG2 3.65Å; L159-I180 HydrophobicContact CG-CG2 4.39Å; L159-G269 WeakPolarHBondContact CD2-O 3.43Å; L159-L271 HydrophobicContact CD1-CD2 4.29Å; L159-L271 HydrophobicContact CD2-CD1 4.25Å; L159-L271 HydrophobicContact CD2-CD2 4.08Å; L159-L271 HydrophobicContact CD2-CG 3.97Å
160	Q	98.6	Very high	98.4	Very high	57 Å²	57	30.3 Å²	30.3	27%	0.266	15%	0.151	S	C	.	.	H	α-helix	trans	-63.5	-44	176.3	-170	-78.3	-32.7	0	0	111.5	L156 D157 G158 A163 A164 I180	L156-Q160 PolarHBondContact O-N 2.85Å; L156-Q160 VanDerWaalsContact O-N 3.08Å; D157-Q160 PolarHBondContact O-N 3.09Å; G158-Q160 VanDerWaalsContact C-N 3.32Å; G158-Q160 PolarHBondContact O-N 3Å; Q160-A163 PolarHBondContact O-N 3.27Å; Q160-A164 VanDerWaalsContact O-CB 3.27Å; Q160-A164 WeakPolarHBondContact O-CB 3.42Å; Q160-A164 PolarHBondContact O-N 3.02Å; Q160-I180 HydrophobicContact CB-CG1 4.13Å; Q160-I180 HydrophobicContact CG-CG1 4.09Å
161	A	98.6	Very high	98.4	Very high	19 Å²	19	33.5 Å²	33.5	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-43.6	-179.5	0	0	0	0	0	112.6	Y86 Y90 D157 G158 A164 D165	Y86-A161 HydrophobicContact CE2-CB 4.46Å; Y86-A161 VanDerWaalsContact OH-CB 3.31Å; Y86-A161 WeakPolarHBondContact OH-CB 3.32Å; Y90-A161 HydrophobicContact CD2-CB 3.92Å; Y90-A161 HydrophobicContact CE2-CB 4.27Å; D157-A161 WeakPolarHBondContact O-CB 3.32Å; D157-A161 PolarHBondContact O-N 3.34Å; G158-A161 PolarHBondContact O-N 2.84Å; G158-A161 VanDerWaalsContact O-N 3.09Å; A161-A164 PolarHBondContact O-N 3.37Å; A161-D165 PolarHBondContact O-N 2.94Å
162	G	98.6	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-45.9	176.8	0	0	0	0	0	112.2	Y90 F94 G158 A164 D165 W166	Y90-G162 WeakPolarHBondContact O-CA 3.12Å; F94-G162 WeakPolarHBondContact CA-O 3.3Å; G158-G162 PolarHBondContact O-N 3.31Å; G162-A164 VanDerWaalsContact C-N 3.28Å; G162-A164 PolarHBondContact O-N 3.09Å; G162-D165 PolarHBondContact O-N 3.09Å; G162-W166 PolarHBondContact O-N 2.55Å; G162-W166 VanDerWaalsContact O-N 3.07Å
163	A	98.6	Very high	98.2	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-36.2	176	0	0	0	0	0	112.1	G93 A97 M100 L159 Q160 A167	G93-A163 WeakPolarHBondContact O-CA 3.42Å; G93-A163 PolarHBondContact O-N 3.28Å; A97-A163 HydrophobicContact CB-CB 4.28Å; M100-A163 HydrophobicContact CE-CB 3.99Å; M100-A163 HydrophobicContact SD-CB 4.29Å; L159-A163 WeakPolarHBondContact O-CB 3.41Å; L159-A163 PolarHBondContact O-N 3.31Å; L159-A163 VanDerWaalsContact O-N 3.08Å; Q160-A163 PolarHBondContact O-N 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.32Å; A163-A167 PolarHBondContact O-N 3.49Å
164	A	98.5	Very high	98	Very high	24 Å²	24	48.4 Å²	48.4	20%	0.198	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-39.6	177.1	0	0	0	0	0	113.1	Q160 A161 G162 A167 K168 P174	Q160-A164 VanDerWaalsContact O-CB 3.27Å; Q160-A164 WeakPolarHBondContact O-CB 3.42Å; Q160-A164 PolarHBondContact O-N 3.02Å; A161-A164 PolarHBondContact O-N 3.37Å; G162-A164 VanDerWaalsContact C-N 3.28Å; G162-A164 PolarHBondContact O-N 3.09Å; A164-A167 PolarHBondContact O-N 3.5Å; A164-K168 WeakPolarHBondContact O-CB 3.39Å; A164-K168 PolarHBondContact O-N 2.81Å; A164-P174 HydrophobicContact CB-CB 3.9Å
165	D	98.3	Very high	97.9	Very high	40 Å²	40	48.5 Å²	48.5	21%	0.214	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-45.5	175.2	-173.6	46.4	0	0	0	111.3	L41 Y90 F94 A161 G162 A167 K168 K169	L41-D165 WeakPolarHBondContact CD2-OD2 3.38Å; Y90-D165 HydrophobicContact CE2-CB 4.48Å; Y90-D165 VanDerWaalsContact OH-CB 3.31Å; Y90-D165 WeakPolarHBondContact OH-CB 3.22Å; Y90-D165 PolarHBondContact OH-OD2 3.32Å; F94-D165 HydrophobicContact CD2-CB 4.28Å; F94-D165 HydrophobicContact CE2-CB 4.45Å; A161-D165 PolarHBondContact O-N 2.94Å; G162-D165 PolarHBondContact O-N 3.09Å; D165-A167 PolarHBondContact O-N 3.19Å; D165-K168 PolarHBondContact O-N 2.9Å; D165-K169 WeakPolarHBondContact O-CG 3.39Å; D165-K169 PolarHBondContact O-N 3.2Å; D165-K169 WeakPolarHBondContact OD2-CE 3.44Å; D165-K169 IonicContact OD2-NZ 2.65Å
166	W	98.3	Very high	97.9	Very high	36 Å²	36	51.1 Å²	51.1	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-57.2	-48.6	173.8	-178.6	95.3	0	0	0	111.5	F94 A97 Q98 M101 G162 K168 K169 Q170 K172	F94-W166 HydrophobicContact CD2-CB 3.67Å; F94-W166 AromaticContact CE1-CD1 3.95Å; F94-W166 HydrophobicContact CE2-CB 3.75Å; F94-W166 HydrophobicContact CE2-CG 4.44Å; F94-W166 HydrophobicContact CG-CB 4.14Å; F94-W166 HydrophobicContact CZ-CB 4.3Å; F94-W166 AromaticContact CZ-CD1 3.95Å; A97-W166 HydrophobicContact CB-CB 3.79Å; A97-W166 HydrophobicContact CB-CD2 3.4Å; A97-W166 VanDerWaalsContact CB-CD2 3.4Å; A97-W166 HydrophobicContact CB-CE3 3.29Å; A97-W166 HydrophobicContact CB-CG 3.61Å; A97-W166 HydrophobicContact CB-CZ3 4.02Å; Q98-W166 HydrophobicContact CB-CH2 3.69Å; Q98-W166 HydrophobicContact CB-CZ2 3.78Å; Q98-W166 HydrophobicContact CG-CH2 4.41Å; M101-W166 HydrophobicContact CE-CE3 4.39Å; M101-W166 HydrophobicContact CE-CZ3 4.06Å; M101-W166 HydrophobicContact SD-CZ3 4.09Å; G162-W166 PolarHBondContact O-N 2.55Å; G162-W166 VanDerWaalsContact O-N 3.07Å; W166-K168 VanDerWaalsContact C-N 3.31Å; W166-K168 PolarHBondContact O-N 2.87Å; W166-K169 PolarHBondContact O-N 3.25Å; W166-K169 VanDerWaalsContact O-N 3.14Å; W166-Q170 HydrophobicContact CD2-CG 3.82Å; W166-Q170 HydrophobicContact CE3-CG 4.11Å; W166-Q170 HydrophobicContact CH2-CB 4.33Å; W166-Q170 HydrophobicContact CH2-CG 3.83Å; W166-Q170 HydrophobicContact CZ2-CG 3.55Å; W166-Q170 HydrophobicContact CZ3-CB 4.39Å; W166-Q170 HydrophobicContact CZ3-CG 4.12Å; W166-Q170 WeakPolarHBondContact O-CG 3.26Å; W166-Q170 PolarHBondContact O-N 2.95Å; W166-K172 HydrophobicContact CH2-CD 4.09Å; W166-K172 HydrophobicContact CZ3-CD 3.97Å
167	A	98.1	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-42.7	-179.1	0	0	0	0	0	111.7	M101 A163 A164 D165 K169 Q170 G171 K172 P174	M101-A167 HydrophobicContact CE-CB 3.68Å; A163-A167 WeakPolarHBondContact O-CB 3.32Å; A163-A167 PolarHBondContact O-N 3.49Å; A164-A167 PolarHBondContact O-N 3.5Å; D165-A167 PolarHBondContact O-N 3.19Å; A167-K169 PolarHBondContact O-N 3.27Å; A167-Q170 CarbonylContact O-C 3.53Å; A167-Q170 PolarHBondContact O-N 3.49Å; A167-G171 PolarHBondContact O-N 3.2Å; A167-K172 CarbonylContact C-O 3.55Å; A167-K172 HydrophobicContact CB-CB 4.36Å; A167-K172 PolarHBondContact O-N 3.37Å; A167-P174 HydrophobicContact CB-CB 3.98Å
168	K	97.6	Very high	97.7	Very high	166 Å²	166	52.8 Å²	52.8	72%	0.722	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-46	175.7	-177.7	-176.7	176.3	-173.4	0	111.6	A164 D165 W166 Q170 G171	A164-K168 WeakPolarHBondContact O-CB 3.39Å; A164-K168 PolarHBondContact O-N 2.81Å; D165-K168 PolarHBondContact O-N 2.9Å; W166-K168 VanDerWaalsContact C-N 3.31Å; W166-K168 PolarHBondContact O-N 2.87Å; K168-Q170 VanDerWaalsContact C-N 3.28Å; K168-Q170 PolarHBondContact O-N 3.02Å; K168-G171 PolarHBondContact O-N 3.43Å; K168-G171 VanDerWaalsContact O-N 3.15Å
169	K	97.1	Very high	97.6	Very high	95 Å²	95	53.9 Å²	53.9	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-34.5	177.3	-71.9	-179.7	178.6	-178.1	0	112.8	L41 E43 F94 D165 W166 A167 G171	L41-K169 VanDerWaalsContact CD2-NZ 3.26Å; E43-K169 IonicContact OE1-NZ 3.71Å; E43-K169 PolarHBondContact OE1-NZ 2.79Å; F94-K169 HydrophobicContact CE2-CD 3.96Å; F94-K169 HydrophobicContact CZ-CD 4.02Å; D165-K169 WeakPolarHBondContact O-CG 3.39Å; D165-K169 PolarHBondContact O-N 3.2Å; D165-K169 WeakPolarHBondContact OD2-CE 3.44Å; D165-K169 IonicContact OD2-NZ 2.65Å; W166-K169 PolarHBondContact O-N 3.25Å; W166-K169 VanDerWaalsContact O-N 3.14Å; A167-K169 PolarHBondContact O-N 3.27Å; K169-G171 VanDerWaalsContact C-N 3.32Å
170	Q	97.4	Very high	97.6	Very high	104 Å²	104	53.9 Å²	53.9	49%	0.486	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.7	177.4	-58.9	-54.7	-40.5	0	0	114	W166 A167 K168 K172	W166-Q170 HydrophobicContact CD2-CG 3.82Å; W166-Q170 HydrophobicContact CE3-CG 4.11Å; W166-Q170 HydrophobicContact CH2-CB 4.33Å; W166-Q170 HydrophobicContact CH2-CG 3.83Å; W166-Q170 HydrophobicContact CZ2-CG 3.55Å; W166-Q170 HydrophobicContact CZ3-CB 4.39Å; W166-Q170 HydrophobicContact CZ3-CG 4.12Å; W166-Q170 WeakPolarHBondContact O-CG 3.26Å; W166-Q170 PolarHBondContact O-N 2.95Å; A167-Q170 CarbonylContact O-C 3.53Å; A167-Q170 PolarHBondContact O-N 3.49Å; K168-Q170 VanDerWaalsContact C-N 3.28Å; K168-Q170 PolarHBondContact O-N 3.02Å; Q170-K172 HydrophobicContact CB-CD 4.34Å; Q170-K172 HydrophobicContact CB-CG 4.06Å; Q170-K172 PolarHBondContact O-N 3.32Å
171	G	97.4	Very high	97.6	Very high	73 Å²	73	52.1 Å²	52.1	75%	0.753	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	25.8	-175.3	0	0	0	0	0	113.8	A167 K168 K169	A167-G171 PolarHBondContact O-N 3.2Å; K168-G171 PolarHBondContact O-N 3.43Å; K168-G171 VanDerWaalsContact O-N 3.15Å; K169-G171 VanDerWaalsContact C-N 3.32Å
172	K	97	Very high	97.6	Very high	91 Å²	91	51.2 Å²	51.2	40%	0.396	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-102	157.6	-180	-64.7	-169.8	178.7	-165.8	0	111.6	M101 W166 A167 Q170	M101-K172 HydrophobicContact CE-CB 4.48Å; M101-K172 HydrophobicContact SD-CD 4.23Å; W166-K172 HydrophobicContact CH2-CD 4.09Å; W166-K172 HydrophobicContact CZ3-CD 3.97Å; A167-K172 CarbonylContact C-O 3.55Å; A167-K172 HydrophobicContact CB-CB 4.36Å; A167-K172 PolarHBondContact O-N 3.37Å; Q170-K172 HydrophobicContact CB-CD 4.34Å; Q170-K172 HydrophobicContact CB-CG 4.06Å; Q170-K172 PolarHBondContact O-N 3.32Å
173	K	96.4	Very high	97.6	Very high	187 Å²	187	51.2 Å²	51.2	81%	0.813	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-71.8	127.8	170.4	-174.3	-177.9	176.1	-173	0	109.1	M101	M101-K173 VanDerWaalsContact CE-O 3.28Å; M101-K173 WeakPolarHBondContact CE-O 3.36Å
174	P	95.3	Very high	97.6	Very high	59 Å²	59	51.3 Å²	51.3	38%	0.383	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-70	151.8	177	30.3	-36.2	0	0	0	111.5	A164 A167	A164-P174 HydrophobicContact CB-CB 3.9Å; A167-P174 HydrophobicContact CB-CB 3.98Å
175	L	96.9	Very high	97.6	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.079	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.5	135.3	165.7	-68.8	174.8	0	0	0	109.2	M100 M101 Y104 D179 I180	M100-L175 HydrophobicContact CB-CD1 3.76Å; M100-L175 HydrophobicContact CE-CD1 4.19Å; M101-L175 HydrophobicContact CG-CD1 4.21Å; M101-L175 HydrophobicContact CG-CD2 4.18Å; M101-L175 HydrophobicContact CG-CG 4Å; Y104-L175 HydrophobicContact CD1-CD2 4.3Å; Y104-L175 HydrophobicContact CG-CD2 4.29Å; L175-D179 HydrophobicContact CB-CB 4.08Å; L175-D179 HydrophobicContact CD2-CB 3.95Å; L175-I180 HydrophobicContact CB-CD1 3.94Å; L175-I180 HydrophobicContact CB-CG1 4.37Å; L175-I180 HydrophobicContact CD1-CD1 3.89Å
176	S	97.3	Very high	97.5	Very high	54 Å²	54	48.3 Å²	48.3	38%	0.378	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-73.6	164.1	174.6	72.4	0	0	0	0	110.8	F178 D179 I180	S176-F178 PolarHBondContact O-N 2.87Å; S176-D179 WeakPolarHBondContact CB-OD2 3.25Å; S176-D179 PolarHBondContact N-OD2 3.44Å; S176-D179 WeakPolarHBondContact O-CB 3.31Å; S176-D179 PolarHBondContact O-N 2.97Å; S176-D179 PolarHBondContact OG-N 2.78Å; S176-D179 PolarHBondContact OG-OD1 3.36Å; S176-D179 PolarHBondContact OG-OD2 3.31Å; S176-I180 PolarHBondContact O-N 3.36Å
177	L	95.8	Very high	97.3	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.346	24%	0.244	S	C	.	.	H	α-helix	trans	-56.2	-39.4	174.1	179.1	61.5	0	0	0	111.9	D179 I180 Q181	L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 2.99Å; L177-I180 PolarHBondContact O-N 3.47Å; L177-Q181 HydrophobicContact CD1-CG 4.24Å; L177-Q181 HydrophobicContact CG-CG 4.32Å; L177-Q181 VanDerWaalsContact O-CG 3.3Å; L177-Q181 WeakPolarHBondContact O-CG 3.4Å; L177-Q181 PolarHBondContact O-N 2.88Å
178	F	97.9	Very high	97.3	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-40.1	175.9	173	-101.3	0	0	0	111.8	Y108 L118 V121 K122 M125 S176 I180 Q181 F182	Y108-F178 HydrophobicContact CE2-CE1 4.47Å; L118-F178 HydrophobicContact CD1-CE1 3.78Å; L118-F178 HydrophobicContact CD1-CZ 3.77Å; V121-F178 HydrophobicContact CG1-CE2 4.34Å; V121-F178 HydrophobicContact CG1-CZ 4.47Å; K122-F178 HydrophobicContact CB-CD2 4.16Å; K122-F178 HydrophobicContact CB-CE2 3.84Å; K122-F178 HydrophobicContact CB-CZ 4.4Å; K122-F178 HydrophobicContact CG-CD2 3.82Å; K122-F178 HydrophobicContact CG-CE2 4.03Å; K122-F178 HydrophobicContact CG-CG 4.34Å; M125-F178 HydrophobicContact SD-CE2 3.92Å; S176-F178 PolarHBondContact O-N 2.87Å; F178-I180 VanDerWaalsContact C-N 3.31Å; F178-I180 PolarHBondContact O-N 3.35Å; F178-Q181 PolarHBondContact O-N 2.69Å; F178-F182 VanDerWaalsContact O-CB 3.23Å; F178-F182 WeakPolarHBondContact O-CB 3.47Å; F178-F182 PolarHBondContact O-N 3.13Å
179	D	98.3	Very high	97.3	Very high	23 Å²	23	38.8 Å²	38.8	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-40.2	179.8	-54.1	-34	0	0	0	110.9	Y104 L175 S176 L177 F182 L183	Y104-D179 HydrophobicContact CD2-CB 3.93Å; Y104-D179 HydrophobicContact CE2-CB 3.57Å; Y104-D179 WeakPolarHBondContact CE2-OD1 3.44Å; Y104-D179 PolarHBondContact OH-OD1 3.43Å; L175-D179 HydrophobicContact CB-CB 4.08Å; L175-D179 HydrophobicContact CD2-CB 3.95Å; S176-D179 WeakPolarHBondContact CB-OD2 3.25Å; S176-D179 PolarHBondContact N-OD2 3.44Å; S176-D179 WeakPolarHBondContact O-CB 3.31Å; S176-D179 PolarHBondContact O-N 2.97Å; S176-D179 PolarHBondContact OG-N 2.78Å; S176-D179 PolarHBondContact OG-OD1 3.36Å; S176-D179 PolarHBondContact OG-OD2 3.31Å; L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 2.99Å; D179-F182 WeakPolarHBondContact O-CB 3.04Å; D179-F182 PolarHBondContact O-N 2.94Å; D179-L183 WeakPolarHBondContact O-CG 3.42Å; D179-L183 PolarHBondContact O-N 2.88Å; D179-L183 VanDerWaalsContact O-N 3.14Å
180	I	98.1	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-44.2	175.7	-57.9	-60.4	0	0	0	111.6	M100 L156 L159 Q160 L175 S176 L177 F178 F182 L183 N184	M100-I180 HydrophobicContact CE-CD1 3.24Å; L156-I180 HydrophobicContact CD1-CG2 3.66Å; L156-I180 HydrophobicContact CG-CG2 4.3Å; L159-I180 HydrophobicContact CD2-CG2 3.65Å; L159-I180 HydrophobicContact CG-CG2 4.39Å; Q160-I180 HydrophobicContact CB-CG1 4.13Å; Q160-I180 HydrophobicContact CG-CG1 4.09Å; L175-I180 HydrophobicContact CB-CD1 3.94Å; L175-I180 HydrophobicContact CB-CG1 4.37Å; L175-I180 HydrophobicContact CD1-CD1 3.89Å; S176-I180 PolarHBondContact O-N 3.36Å; L177-I180 PolarHBondContact O-N 3.47Å; F178-I180 VanDerWaalsContact C-N 3.31Å; F178-I180 PolarHBondContact O-N 3.35Å; I180-F182 VanDerWaalsContact C-N 3.31Å; I180-F182 PolarHBondContact O-N 3.46Å; I180-L183 PolarHBondContact O-N 3.5Å; I180-N184 PolarHBondContact O-N 2.73Å; I180-N184 PolarHBondContact O-ND2 3.48Å
181	Q	98.3	Very high	96.8	Very high	20 Å²	20	29.7 Å²	29.7	9%	0.093	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-38.9	175.8	-69.8	171	-32.9	0	0	111.2	M125 D129 L156 L177 F178 L183 N184 A185	M125-Q181 VanDerWaalsContact CE-C 3.42Å; M125-Q181 HydrophobicContact CE-CB 3.5Å; M125-Q181 WeakPolarHBondContact CE-O 3.31Å; D129-Q181 PolarHBondContact OD1-NE2 3.41Å; L156-Q181 HydrophobicContact CD2-CG 4.13Å; L177-Q181 HydrophobicContact CD1-CG 4.24Å; L177-Q181 HydrophobicContact CG-CG 4.32Å; L177-Q181 VanDerWaalsContact O-CG 3.3Å; L177-Q181 WeakPolarHBondContact O-CG 3.4Å; L177-Q181 PolarHBondContact O-N 2.88Å; F178-Q181 PolarHBondContact O-N 2.69Å; Q181-L183 PolarHBondContact O-N 2.97Å; Q181-N184 PolarHBondContact O-N 2.68Å; Q181-A185 VanDerWaalsContact O-CB 3.28Å; Q181-A185 WeakPolarHBondContact O-CB 3.43Å; Q181-A185 PolarHBondContact O-N 3.11Å
182	F	98.6	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-47.7	176.6	170.7	-88.1	0	0	0	111.1	Y104 M107 Y108 L111 I112 F178 D179 I180 N184 A185 V186 L189	Y104-F182 AromaticContact CD2-CD1 3.82Å; Y104-F182 HydrophobicContact CD2-CD1 3.82Å; Y104-F182 HydrophobicContact CD2-CE1 4.32Å; Y104-F182 HydrophobicContact CE2-CB 4.43Å; Y104-F182 AromaticContact CE2-CD1 3.79Å; Y104-F182 HydrophobicContact CE2-CD1 3.79Å; Y104-F182 HydrophobicContact CE2-CE1 4.39Å; Y104-F182 HydrophobicContact CE2-CG 4.22Å; M107-F182 HydrophobicContact CB-CE1 4.26Å; Y108-F182 HydrophobicContact CD2-CZ 4.49Å; L111-F182 HydrophobicContact CB-CE2 3.99Å; L111-F182 HydrophobicContact CB-CZ 4Å; L111-F182 HydrophobicContact CD1-CE2 3.91Å; L111-F182 HydrophobicContact CD1-CZ 3.64Å; L111-F182 HydrophobicContact CG-CZ 4.36Å; I112-F182 HydrophobicContact CD1-CE2 4.32Å; I112-F182 HydrophobicContact CG1-CE2 3.93Å; F178-F182 VanDerWaalsContact O-CB 3.23Å; F178-F182 WeakPolarHBondContact O-CB 3.47Å; F178-F182 PolarHBondContact O-N 3.13Å; D179-F182 WeakPolarHBondContact O-CB 3.04Å; D179-F182 PolarHBondContact O-N 2.94Å; I180-F182 VanDerWaalsContact C-N 3.31Å; I180-F182 PolarHBondContact O-N 3.46Å; F182-N184 VanDerWaalsContact C-N 3.33Å; F182-N184 PolarHBondContact O-N 2.99Å; F182-A185 PolarHBondContact O-N 3.24Å; F182-V186 HydrophobicContact CE1-CG2 4.36Å; F182-V186 WeakPolarHBondContact O-CG2 3.43Å; F182-V186 PolarHBondContact O-N 3.44Å; F182-L189 HydrophobicContact CD2-CD1 3.44Å; F182-L189 VanDerWaalsContact CD2-CD1 3.44Å; F182-L189 HydrophobicContact CE2-CD1 3.54Å; F182-L189 HydrophobicContact CG-CD1 4.26Å; F182-L189 HydrophobicContact CZ-CD1 4.43Å
183	L	98.5	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-46.3	176.9	-66.9	176.4	0	0	0	111.3	Y104 D179 I180 Q181 A185 V186 F270	Y104-L183 HydrophobicContact CD2-CD2 4.25Å; Y104-L183 HydrophobicContact CD2-CG 4.41Å; D179-L183 WeakPolarHBondContact O-CG 3.42Å; D179-L183 PolarHBondContact O-N 2.88Å; D179-L183 VanDerWaalsContact O-N 3.14Å; I180-L183 PolarHBondContact O-N 3.5Å; Q181-L183 PolarHBondContact O-N 2.97Å; L183-A185 VanDerWaalsContact C-N 3.29Å; L183-A185 PolarHBondContact O-N 2.81Å; L183-V186 WeakPolarHBondContact O-CG2 3.16Å; L183-V186 PolarHBondContact O-N 3.48Å; L183-F270 HydrophobicContact CB-CD1 3.86Å; L183-F270 HydrophobicContact CB-CE1 3.68Å; L183-F270 HydrophobicContact CD2-CE1 3.85Å; L183-F270 HydrophobicContact CG-CE1 4.3Å; L183-F270 WeakPolarHBondContact O-CD2 3.45Å; L183-F270 VanDerWaalsContact O-CE1 3.29Å; L183-F270 WeakPolarHBondContact O-CE1 3.4Å; L183-F270 WeakPolarHBondContact O-CE2 3.15Å; L183-F270 WeakPolarHBondContact O-CZ 3.27Å
184	N	98.6	Very high	96.1	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-70.2	-25	-179.2	-75.6	-87	0	0	0	113.7	I180 Q181 F182 G269 L271 W310	I180-N184 PolarHBondContact O-N 2.73Å; I180-N184 PolarHBondContact O-ND2 3.48Å; Q181-N184 PolarHBondContact O-N 2.68Å; F182-N184 VanDerWaalsContact C-N 3.33Å; F182-N184 PolarHBondContact O-N 2.99Å; N184-G269 PolarHBondContact ND2-O 3.22Å; N184-L271 WeakPolarHBondContact OD1-CA 3.15Å; N184-L271 WeakPolarHBondContact OD1-CB 3.49Å; N184-L271 PolarHBondContact OD1-N 2.84Å; N184-W310 HydrophobicContact CB-CD2 4.11Å; N184-W310 HydrophobicContact CB-CE3 4.46Å; N184-W310 HydrophobicContact CB-CH2 4.48Å; N184-W310 HydrophobicContact CB-CZ2 4.12Å; N184-W310 VanDerWaalsContact O-CG 3.29Å
185	A	98.1	Very high	96	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	8.8	-178.1	0	0	0	0	0	113.9	M125 Q181 F182 L183 G187 D188 L189 L308	M125-A185 HydrophobicContact CE-CB 3.82Å; Q181-A185 VanDerWaalsContact O-CB 3.28Å; Q181-A185 WeakPolarHBondContact O-CB 3.43Å; Q181-A185 PolarHBondContact O-N 3.11Å; F182-A185 PolarHBondContact O-N 3.24Å; L183-A185 VanDerWaalsContact C-N 3.29Å; L183-A185 PolarHBondContact O-N 2.81Å; A185-G187 VanDerWaalsContact C-N 3.26Å; A185-G187 PolarHBondContact O-N 2.87Å; A185-G187 VanDerWaalsContact O-N 3.14Å; A185-D188 HydrophobicContact CB-CB 4.42Å; A185-D188 CarbonylContact O-C 3.58Å; A185-D188 WeakPolarHBondContact O-CA 3.36Å; A185-D188 WeakPolarHBondContact O-CB 3.43Å; A185-D188 PolarHBondContact O-N 2.98Å; A185-L189 HydrophobicContact CB-CD1 4.48Å; A185-L189 HydrophobicContact CB-CG 4.25Å; A185-L189 VanDerWaalsContact O-CG 3.25Å; A185-L189 WeakPolarHBondContact O-CG 3.47Å; A185-L189 PolarHBondContact O-N 3.45Å; A185-L308 HydrophobicContact CB-CD1 4.15Å
186	V	96.9	Very high	95.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-51.1	-42.9	-175.3	160.3	0	0	0	0	113	M107 L111 F182 L183 Y236 F270 L274	M107-V186 HydrophobicContact CE-CG1 4.34Å; L111-V186 HydrophobicContact CD1-CB 4.3Å; L111-V186 HydrophobicContact CD1-CG1 4.14Å; L111-V186 HydrophobicContact CD1-CG2 3.95Å; F182-V186 HydrophobicContact CE1-CG2 4.36Å; F182-V186 WeakPolarHBondContact O-CG2 3.43Å; F182-V186 PolarHBondContact O-N 3.44Å; L183-V186 WeakPolarHBondContact O-CG2 3.16Å; L183-V186 PolarHBondContact O-N 3.48Å; V186-Y236 HydrophobicContact CG1-CE1 4.04Å; V186-F270 HydrophobicContact CB-CE2 3.91Å; V186-F270 HydrophobicContact CB-CZ 3.89Å; V186-F270 HydrophobicContact CG1-CE2 4.45Å; V186-F270 HydrophobicContact CG1-CZ 4.42Å; V186-F270 HydrophobicContact CG2-CE2 4.16Å; V186-F270 HydrophobicContact CG2-CZ 3.63Å; V186-L274 HydrophobicContact CB-CD1 4.38Å; V186-L274 HydrophobicContact CG1-CD1 4.1Å; V186-L274 HydrophobicContact CG1-CD2 3.9Å
187	G	94.9	Very high	95.6	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-67.2	-44.7	176	0	0	0	0	0	112.7	A185 L189 L190 Y338	A185-G187 VanDerWaalsContact C-N 3.26Å; A185-G187 PolarHBondContact O-N 2.87Å; A185-G187 VanDerWaalsContact O-N 3.14Å; G187-L189 VanDerWaalsContact C-N 3.29Å; G187-L189 PolarHBondContact O-N 3.2Å; G187-L190 WeakPolarHBondContact O-CB 3.39Å; G187-L190 WeakPolarHBondContact O-CG 3.47Å; G187-L190 PolarHBondContact O-N 3.36Å; G187-Y338 VanDerWaalsContact C-CG 3.44Å; G187-Y338 WeakPolarHBondContact O-CD2 3.44Å
188	D	97.8	Very high	95	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-35.7	178.1	-68.6	-83.6	0	0	0	112.5	A185 L190 D191 L192 L308 S309 T337	A185-D188 HydrophobicContact CB-CB 4.42Å; A185-D188 CarbonylContact O-C 3.58Å; A185-D188 WeakPolarHBondContact O-CA 3.36Å; A185-D188 WeakPolarHBondContact O-CB 3.43Å; A185-D188 PolarHBondContact O-N 2.98Å; D188-L190 PolarHBondContact O-N 3.44Å; D188-D191 PolarHBondContact O-N 2.9Å; D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 PolarHBondContact O-N 3.23Å; D188-L308 HydrophobicContact CB-CD2 4.09Å; D188-S309 WeakPolarHBondContact OD1-CB 3.42Å; D188-S309 PolarHBondContact OD1-N 2.78Å; D188-S309 PolarHBondContact OD2-N 2.58Å; D188-T337 VanDerWaalsContact OD1-CB 3.31Å; D188-T337 WeakPolarHBondContact OD1-CB 3.46Å; D188-T337 PolarHBondContact OD1-OG1 2.97Å
189	L	95.9	Very high	93.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-23.6	179.3	-72	173.2	0	0	0	113.1	L111 V121 M125 F182 A185 G187 D191 L192 I193	L111-L189 HydrophobicContact CD1-CB 4.14Å; L111-L189 HydrophobicContact CD1-CD1 3.92Å; L111-L189 HydrophobicContact CD2-CB 4.39Å; V121-L189 HydrophobicContact CG1-CD2 3.5Å; V121-L189 VanDerWaalsContact CG1-CD2 3.5Å; V121-L189 HydrophobicContact CG2-CD2 4.4Å; M125-L189 HydrophobicContact SD-CD2 4.13Å; F182-L189 HydrophobicContact CD2-CD1 3.44Å; F182-L189 VanDerWaalsContact CD2-CD1 3.44Å; F182-L189 HydrophobicContact CE2-CD1 3.54Å; F182-L189 HydrophobicContact CG-CD1 4.26Å; F182-L189 HydrophobicContact CZ-CD1 4.43Å; A185-L189 HydrophobicContact CB-CD1 4.48Å; A185-L189 HydrophobicContact CB-CG 4.25Å; A185-L189 VanDerWaalsContact O-CG 3.25Å; A185-L189 WeakPolarHBondContact O-CG 3.47Å; A185-L189 PolarHBondContact O-N 3.45Å; G187-L189 VanDerWaalsContact C-N 3.29Å; G187-L189 PolarHBondContact O-N 3.2Å; L189-D191 VanDerWaalsContact C-N 3.27Å; L189-D191 PolarHBondContact O-N 3.43Å; L189-L192 HydrophobicContact CD2-CD2 4.22Å; L189-I193 HydrophobicContact CB-CD1 4.12Å; L189-I193 HydrophobicContact CB-CG1 4.45Å; L189-I193 HydrophobicContact CD2-CD1 4.48Å; L189-I193 HydrophobicContact CD2-CG1 4.34Å; L189-I193 WeakPolarHBondContact O-CB 3.43Å; L189-I193 VanDerWaalsContact O-CG1 3.29Å; L189-I193 WeakPolarHBondContact O-CG1 3.34Å; L189-I193 PolarHBondContact O-N 2.81Å
190	L	91.8	Very high	92.1	Very high	7 Å²	7	17.3 Å²	17.3	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-34.3	177.1	-61.3	170.6	0	0	0	112.2	L111 G187 D188 P194 L204 R205 H214 Y236 Y338	L111-L190 HydrophobicContact CD2-CD2 3.83Å; G187-L190 WeakPolarHBondContact O-CB 3.39Å; G187-L190 WeakPolarHBondContact O-CG 3.47Å; G187-L190 PolarHBondContact O-N 3.36Å; D188-L190 PolarHBondContact O-N 3.44Å; L190-P194 VanDerWaalsContact O-CD 3.23Å; L190-P194 WeakPolarHBondContact O-CD 3.16Å; L190-P194 VanDerWaalsContact O-CG 3.24Å; L190-P194 WeakPolarHBondContact O-CG 3.2Å; L190-L204 HydrophobicContact CD2-CD1 4.06Å; L190-R205 VanDerWaalsContact C-NH2 3.3Å; L190-R205 PolarHBondContact O-NE 3.37Å; L190-R205 PolarHBondContact O-NH2 2.61Å; L190-H214 WeakPolarHBondContact CD1-CE1 3.34Å; L190-Y236 HydrophobicContact CD2-CE2 4.11Å; L190-Y338 HydrophobicContact CD1-CD2 4.42Å; L190-Y338 HydrophobicContact CD1-CE2 4.16Å
191	D	92.6	Very high	90	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-97.2	-33.5	175.7	-68.5	-55.6	0	0	0	112.2	D188 L189 P194 A195 R205 T337 Y338 N339	D188-D191 PolarHBondContact O-N 2.9Å; L189-D191 VanDerWaalsContact C-N 3.27Å; L189-D191 PolarHBondContact O-N 3.43Å; D191-P194 VanDerWaalsContact O-CD 3.31Å; D191-P194 WeakPolarHBondContact O-CD 3.31Å; D191-P194 VanDerWaalsContact O-CG 3.3Å; D191-P194 WeakPolarHBondContact O-CG 3.42Å; D191-A195 WeakPolarHBondContact O-CB 3.4Å; D191-A195 PolarHBondContact O-N 2.98Å; D191-R205 IonicContact OD1-CZ 3.48Å; D191-R205 IonicContact OD1-NH1 3.76Å; D191-R205 PolarHBondContact OD1-NH1 2.9Å; D191-R205 IonicContact OD1-NH2 2.73Å; D191-R205 PolarHBondContact OD1-NH2 2.86Å; D191-T337 HydrophobicContact CB-CG2 4.34Å; D191-Y338 VanDerWaalsContact OD2-CA 3.25Å; D191-Y338 WeakPolarHBondContact OD2-CA 3.29Å; D191-Y338 PolarHBondContact OD2-N 3.26Å; D191-N339 VanDerWaalsContact CG-ND2 3.26Å; D191-N339 PolarHBondContact OD2-N 2.56Å; D191-N339 VanDerWaalsContact OD2-N 3.15Å; D191-N339 PolarHBondContact OD2-ND2 3.01Å
192	L	94.9	Very high	87.8	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-69.2	-42.4	-176.5	-175.7	62.9	0	0	0	112.6	F124 D188 L189 A195 L196 I302 T337	F124-L192 HydrophobicContact CB-CD2 4.44Å; F124-L192 HydrophobicContact CD1-CD1 3.78Å; F124-L192 HydrophobicContact CD1-CD2 3.4Å; F124-L192 HydrophobicContact CD1-CG 4.21Å; F124-L192 HydrophobicContact CD2-CD1 3.83Å; F124-L192 HydrophobicContact CE1-CD1 3.65Å; F124-L192 HydrophobicContact CE1-CD2 3.73Å; F124-L192 HydrophobicContact CE1-CG 4.36Å; F124-L192 HydrophobicContact CE2-CD1 3.67Å; F124-L192 HydrophobicContact CG-CD1 3.86Å; F124-L192 HydrophobicContact CG-CD2 3.98Å; F124-L192 HydrophobicContact CG-CG 4.45Å; F124-L192 HydrophobicContact CZ-CD1 3.58Å; D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 PolarHBondContact O-N 3.23Å; L189-L192 HydrophobicContact CD2-CD2 4.22Å; L192-A195 WeakPolarHBondContact O-CB 3.12Å; L192-A195 PolarHBondContact O-N 3.18Å; L192-L196 HydrophobicContact CD1-CD1 3.77Å; L192-L196 HydrophobicContact CD1-CD2 4.31Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CD2-CD1 4.19Å; L192-L196 HydrophobicContact CG-CD1 3.66Å; L192-L196 HydrophobicContact CG-CG 4.1Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.1Å; L192-I302 HydrophobicContact CD1-CG2 3.79Å; L192-T337 HydrophobicContact CB-CG2 4.15Å
193	I	93.6	Very high	85.4	Confident	8 Å²	8	31.4 Å²	31.4	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-51.5	178.8	-69.5	170.3	0	0	0	112	L111 I112 I117 V121 L189 A195 L196 V197	L111-I193 HydrophobicContact CB-CD1 4.02Å; L111-I193 HydrophobicContact CD2-CD1 4.37Å; L111-I193 WeakPolarHBondContact O-CD1 3.26Å; I112-I193 HydrophobicContact CD1-CD1 4.28Å; I117-I193 HydrophobicContact CD1-CG2 4.27Å; I117-I193 HydrophobicContact CG2-CD1 4.09Å; I117-I193 HydrophobicContact CG2-CG1 3.98Å; I117-I193 HydrophobicContact CG2-CG2 3.84Å; V121-I193 HydrophobicContact CG2-CG1 3.76Å; L189-I193 HydrophobicContact CB-CD1 4.12Å; L189-I193 HydrophobicContact CB-CG1 4.45Å; L189-I193 HydrophobicContact CD2-CD1 4.48Å; L189-I193 HydrophobicContact CD2-CG1 4.34Å; L189-I193 WeakPolarHBondContact O-CB 3.43Å; L189-I193 VanDerWaalsContact O-CG1 3.29Å; L189-I193 WeakPolarHBondContact O-CG1 3.34Å; L189-I193 PolarHBondContact O-N 2.81Å; I193-A195 VanDerWaalsContact C-N 3.25Å; I193-A195 PolarHBondContact O-N 3.03Å; I193-L196 PolarHBondContact O-N 3.09Å; I193-V197 PolarHBondContact O-N 2.96Å
194	P	88.9	Confident	83.1	Confident	27 Å²	27	31.9 Å²	31.9	18%	0.175	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-27.9	177.9	21.9	-30.5	0	0	0	113.1	L190 D191 F299	L190-P194 VanDerWaalsContact O-CD 3.23Å; L190-P194 WeakPolarHBondContact O-CD 3.16Å; L190-P194 VanDerWaalsContact O-CG 3.24Å; L190-P194 WeakPolarHBondContact O-CG 3.2Å; D191-P194 VanDerWaalsContact O-CD 3.31Å; D191-P194 WeakPolarHBondContact O-CD 3.31Å; D191-P194 VanDerWaalsContact O-CG 3.3Å; D191-P194 WeakPolarHBondContact O-CG 3.42Å; P194-F299 HydrophobicContact CB-CE2 4.4Å; P194-F299 HydrophobicContact CG-CE2 4.44Å
195	A	92.5	Very high	80.9	Confident	27 Å²	27	32.6 Å²	32.6	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-69	-43	173.2	0	0	0	0	0	112.8	D191 L192 I193 F299 I302	D191-A195 WeakPolarHBondContact O-CB 3.4Å; D191-A195 PolarHBondContact O-N 2.98Å; L192-A195 WeakPolarHBondContact O-CB 3.12Å; L192-A195 PolarHBondContact O-N 3.18Å; I193-A195 VanDerWaalsContact C-N 3.25Å; I193-A195 PolarHBondContact O-N 3.03Å; A195-F299 HydrophobicContact CB-CB 3.77Å; A195-F299 HydrophobicContact CB-CD2 4.26Å; A195-F299 HydrophobicContact CB-CG 4.04Å; A195-I302 HydrophobicContact CB-CD1 3.78Å
196	L	93.9	Very high	78.6	Confident	58 Å²	58	36.3 Å²	36.3	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-82	-29.8	-177	-65.5	179	0	0	0	113.6	P120 V121 F124 L192 I193	P120-L196 HydrophobicContact CB-CB 4.14Å; P120-L196 HydrophobicContact CB-CD1 4.41Å; V121-L196 HydrophobicContact CG2-CD1 4.31Å; F124-L196 HydrophobicContact CB-CD1 3.7Å; F124-L196 HydrophobicContact CB-CD2 4.49Å; F124-L196 HydrophobicContact CD2-CD1 4.32Å; F124-L196 HydrophobicContact CD2-CD2 3.91Å; F124-L196 HydrophobicContact CG-CD1 4.12Å; L192-L196 HydrophobicContact CD1-CD1 3.77Å; L192-L196 HydrophobicContact CD1-CD2 4.31Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CD2-CD1 4.19Å; L192-L196 HydrophobicContact CG-CD1 3.66Å; L192-L196 HydrophobicContact CG-CG 4.1Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.1Å; I193-L196 PolarHBondContact O-N 3.09Å
197	V	91.3	Very high	76.3	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.103	25%	0.246	C	C	.	.	S	Bend	trans	-132.1	76.2	-177.9	-169.2	0	0	0	0	109.3	K116 P120 I193 G199 S200	K116-V197 HydrophobicContact CD-CG1 4.42Å; K116-V197 HydrophobicContact CG-CG1 4.29Å; P120-V197 HydrophobicContact CB-CG2 4.09Å; P120-V197 HydrophobicContact CG-CG2 3.96Å; I193-V197 PolarHBondContact O-N 2.96Å; V197-G199 PolarHBondContact O-N 3.05Å; V197-S200 WeakPolarHBondContact O-CB 3.26Å; V197-S200 PolarHBondContact O-N 2.63Å; V197-S200 VanDerWaalsContact O-N 3.11Å; V197-S200 PolarHBondContact O-OG 2.83Å
198	P	84	Confident	73.8	Confident	107 Å²	107	48.6 Å²	48.6	70%	0.695	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	137.2	177.5	-25.1	34.7	0	0	0	111.5	S200	P198-S200 VanDerWaalsContact C-N 3.28Å; P198-S200 PolarHBondContact O-N 3.01Å
199	G	70.9	Confident	71.5	Confident	68 Å²	68	50.9 Å²	50.9	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	8.9	-177.5	0	0	0	0	0	115	V197 N201	V197-G199 PolarHBondContact O-N 3.05Å; G199-N201 PolarHBondContact O-N 3.01Å
200	S	64.9	Low	69	Low	15 Å²	15	51.8 Å²	51.8	11%	0.105	30%	0.295	C	S	.	.			trans	-63.2	121.8	161.1	53.3	0	0	0	0	109	V197 P198 S202	V197-S200 WeakPolarHBondContact O-CB 3.26Å; V197-S200 PolarHBondContact O-N 2.63Å; V197-S200 VanDerWaalsContact O-N 3.11Å; V197-S200 PolarHBondContact O-OG 2.83Å; P198-S200 VanDerWaalsContact C-N 3.28Å; P198-S200 PolarHBondContact O-N 3.01Å; S200-S202 PolarHBondContact O-N 2.78Å
201	N	52.4	Low	66.9	Low	130 Å²	130	51.7 Å²	51.7	70%	0.695	30%	0.295	S	S	*	.			trans	-72.6	82.3	175.5	-78.3	-27.3	0	0	0	108.4	G199 L203	G199-N201 PolarHBondContact O-N 3.01Å; N201-L203 PolarHBondContact O-N 3.24Å; N201-L203 VanDerWaalsContact O-N 3.1Å
202	S	51.9	Low	64.8	Low	36 Å²	36	53.8 Å²	53.8	25%	0.252	31%	0.305	S	S	.	.			trans	-66.3	110.8	167.6	176.3	0	0	0	0	108.1	S200 L204 R205	S200-S202 PolarHBondContact O-N 2.78Å; S202-L204 PolarHBondContact O-N 3.38Å; S202-L204 PolarHBondContact OG-N 3.02Å; S202-R205 PolarHBondContact O-N 3.47Å; S202-R205 VanDerWaalsContact O-N 3.15Å
203	L	49.4	Very low	62.7	Low	150 Å²	150	53.9 Å²	53.9	79%	0.785	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-12.4	173.5	-67.8	171	0	0	0	112.7	N201	N201-L203 PolarHBondContact O-N 3.24Å; N201-L203 VanDerWaalsContact O-N 3.1Å
204	L	49.5	Very low	61.3	Low	10 Å²	10	54.1 Å²	54.1	5%	0.052	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-15	-176.7	-58.7	166.5	0	0	0	113.5	Q110 L111 L190 S202 M212 Y236	Q110-L204 WeakPolarHBondContact O-CD1 3.14Å; L111-L204 HydrophobicContact CD2-CD1 3.96Å; L190-L204 HydrophobicContact CD2-CD1 4.06Å; S202-L204 PolarHBondContact O-N 3.38Å; S202-L204 PolarHBondContact OG-N 3.02Å; L204-M212 HydrophobicContact CB-CE 4.37Å; L204-M212 HydrophobicContact CD2-CE 3.77Å; L204-Y236 HydrophobicContact CD1-CE2 3.93Å; L204-Y236 HydrophobicContact CD2-CE2 4Å; L204-Y236 HydrophobicContact CG-CE2 4.5Å
205	R	52.1	Low	61.5	Low	19 Å²	19	52.9 Å²	52.9	7%	0.072	30%	0.3	C	S	.	.			trans	-117.8	82.5	178.9	-68.2	-172.2	-179.6	-157.9	-5.4	110.9	L190 D191 S202 F207	L190-R205 VanDerWaalsContact C-NH2 3.3Å; L190-R205 PolarHBondContact O-NE 3.37Å; L190-R205 PolarHBondContact O-NH2 2.61Å; D191-R205 IonicContact OD1-CZ 3.48Å; D191-R205 IonicContact OD1-NH1 3.76Å; D191-R205 PolarHBondContact OD1-NH1 2.9Å; D191-R205 IonicContact OD1-NH2 2.73Å; D191-R205 PolarHBondContact OD1-NH2 2.86Å; S202-R205 PolarHBondContact O-N 3.47Å; S202-R205 VanDerWaalsContact O-N 3.15Å; R205-F207 HydrophobicContact CB-CD2 4.48Å; R205-F207 HydrophobicContact CB-CE2 3.98Å; R205-F207 HydrophobicContact CB-CZ 4.07Å; R205-F207 WeakPolarHBondContact O-CD2 3.25Å; R205-F207 PolarHBondContact O-N 2.88Å
206	D	49.6	Very low	61.8	Low	78 Å²	78	51.6 Å²	51.6	42%	0.417	29%	0.289	S	S	.	.			trans	-78.1	99.4	164.2	-171.4	-3.4	0	0	0	108.8	K208 L209 G211	D206-K208 PolarHBondContact O-N 2.9Å; D206-K208 VanDerWaalsContact O-N 3.14Å; D206-K208 PolarHBondContact OD1-N 2.6Å; D206-L209 PolarHBondContact O-N 3.23Å; D206-G211 VanDerWaalsContact O-CA 3.26Å; D206-G211 WeakPolarHBondContact O-CA 3.39Å
207	F	48.9	Very low	62	Low	109 Å²	109	48.9 Å²	48.9	48%	0.478	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-8	-176.4	-67.7	-84.9	0	0	0	114.4	R205 L209 F294 M405	R205-F207 HydrophobicContact CB-CD2 4.48Å; R205-F207 HydrophobicContact CB-CE2 3.98Å; R205-F207 HydrophobicContact CB-CZ 4.07Å; R205-F207 WeakPolarHBondContact O-CD2 3.25Å; R205-F207 PolarHBondContact O-N 2.88Å; F207-L209 VanDerWaalsContact C-N 3.29Å; F207-L209 CarbonylContact C-O 3.57Å; F207-F294 HydrophobicContact CD1-CD1 4.05Å; F207-F294 HydrophobicContact CD1-CE1 4.19Å; F207-F294 HydrophobicContact CE1-CD1 4.39Å; F207-M405 VanDerWaalsContact O-CE 3.28Å; F207-M405 WeakPolarHBondContact O-CE 3.15Å
208	K	42.6	Very low	62.4	Low	151 Å²	151	48 Å²	48	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.6	178.5	-66.9	-172.7	175.9	-171.9	0	114.2	D206	D206-K208 PolarHBondContact O-N 2.9Å; D206-K208 VanDerWaalsContact O-N 3.14Å; D206-K208 PolarHBondContact OD1-N 2.6Å
209	L	49.5	Very low	63.1	Low	49 Å²	49	43 Å²	43	26%	0.257	24%	0.237	S	C	.	.	S	Bend	trans	-121.9	168.4	165	-68.9	168.5	0	0	0	105.9	D206 F207 G211 D412 F413	D206-L209 PolarHBondContact O-N 3.23Å; F207-L209 VanDerWaalsContact C-N 3.29Å; F207-L209 CarbonylContact C-O 3.57Å; L209-G211 PolarHBondContact O-N 2.96Å; L209-D412 WeakPolarHBondContact CD2-OD2 3.46Å; L209-F413 WeakPolarHBondContact O-CZ 3.41Å
210	P	44.2	Very low	64.4	Low	20 Å²	20	40.2 Å²	40.2	13%	0.13	21%	0.205	C	C	.	.	S	Bend	trans	-56	99.3	161.1	-13.8	25.4	0	0	0	105.5	M212 D412 F413	P210-M212 PolarHBondContact O-N 3.02Å; P210-D412 HydrophobicContact CG-CB 4.12Å; P210-D412 WeakPolarHBondContact CG-O 3.19Å; P210-F413 HydrophobicContact CB-CD1 4.23Å; P210-F413 HydrophobicContact CB-CE1 4.04Å; P210-F413 HydrophobicContact CG-CD1 3.97Å; P210-F413 HydrophobicContact CG-CD2 4.32Å; P210-F413 HydrophobicContact CG-CE1 3.95Å; P210-F413 HydrophobicContact CG-CE2 4.26Å; P210-F413 HydrophobicContact CG-CG 4.19Å; P210-F413 HydrophobicContact CG-CZ 4.11Å; P210-F413 VanDerWaalsContact N-CZ 3.27Å
211	G	48.2	Very low	66.1	Low	4 Å²	4	39.6 Å²	39.6	4%	0.041	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	134.9	-162.6	0	0	0	0	0	109.9	D206 L209 G213 N292	D206-G211 VanDerWaalsContact O-CA 3.26Å; D206-G211 WeakPolarHBondContact O-CA 3.39Å; L209-G211 PolarHBondContact O-N 2.96Å; G211-G213 VanDerWaalsContact C-N 3.27Å; G211-G213 PolarHBondContact O-N 2.88Å; G211-N292 PolarHBondContact O-ND2 3.24Å
212	M	46.9	Very low	68.3	Low	45 Å²	45	34.3 Å²	34.3	22%	0.222	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-4.6	80.4	-167.3	-75.6	-158.5	-71.4	0	0	113	L204 P210 H214	L204-M212 HydrophobicContact CB-CE 4.37Å; L204-M212 HydrophobicContact CD2-CE 3.77Å; P210-M212 PolarHBondContact O-N 3.02Å; M212-H214 PolarHBondContact O-N 3.07Å; M212-H214 VanDerWaalsContact O-N 3.11Å
213	G	52.2	Low	70.4	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.031	19%	0.191	C	C	.	.			trans	-54.4	120.9	-177.3	0	0	0	0	0	109.3	G211 C215 W235 N389	G211-G213 VanDerWaalsContact C-N 3.27Å; G211-G213 PolarHBondContact O-N 2.88Å; G213-C215 VanDerWaalsContact C-N 3.27Å; G213-C215 PolarHBondContact O-N 2.98Å; G213-C215 VanDerWaalsContact O-N 3.13Å; G213-W235 WeakPolarHBondContact O-CB 3.29Å; G213-N389 VanDerWaalsContact C-CG 3.41Å; G213-N389 VanDerWaalsContact CA-CG 3.44Å; G213-N389 WeakPolarHBondContact CA-OD1 3.26Å; G213-N389 PolarHBondContact O-OD1 3.01Å
214	H	64.5	Low	72.7	Confident	13 Å²	13	32 Å²	32	6%	0.06	17%	0.172	C	C	.	.			trans	-67.4	-17.2	-161.8	-76.1	-80.4	0	0	0	115.6	L190 M212 W235 Y236 T290 N389	L190-H214 WeakPolarHBondContact CD1-CE1 3.34Å; M212-H214 PolarHBondContact O-N 3.07Å; M212-H214 VanDerWaalsContact O-N 3.11Å; H214-W235 CarbonylContact C-O 3.58Å; H214-W235 VanDerWaalsContact CA-O 3.25Å; H214-W235 WeakPolarHBondContact CA-O 3.24Å; H214-W235 CarbonylContact O-C 3.59Å; H214-W235 VanDerWaalsContact O-C 3.31Å; H214-W235 WeakPolarHBondContact O-CA 3.38Å; H214-W235 VanDerWaalsContact O-CB 3.28Å; H214-W235 WeakPolarHBondContact O-CB 3.33Å; H214-W235 PolarHBondContact O-N 2.85Å; H214-Y236 AromaticContact CE1-CD2 3.93Å; H214-T290 VanDerWaalsContact CD2-CB 3.47Å; H214-T290 WeakPolarHBondContact CD2-CB 3.48Å; H214-N389 VanDerWaalsContact N-CG 3.32Å; H214-N389 PolarHBondContact N-ND2 3.41Å; H214-N389 PolarHBondContact N-OD1 2.79Å
215	C	92.8	Very high	75	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	161.4	-168.3	-62.2	0	0	0	0	111.7	G213 H232 S233 D275 T289 N389 R420	G213-C215 VanDerWaalsContact C-N 3.27Å; G213-C215 PolarHBondContact O-N 2.98Å; G213-C215 VanDerWaalsContact O-N 3.13Å; C215-H232 VanDerWaalsContact CB-NE2 3.28Å; C215-H232 WeakPolarHBondContact CB-NE2 3.24Å; C215-H232 PolarHBondContact SG-CE1 3.15Å; C215-H232 PolarHBondContact SG-NE2 2.98Å; C215-S233 WeakPolarHBondContact CA-O 3.49Å; C215-D275 PolarHBondContact SG-O 3.05Å; C215-T289 HydrophobicContact CB-CG2 3.57Å; C215-N389 PolarHBondContact N-ND2 3.09Å; C215-N389 PolarHBondContact N-OD1 3.47Å; C215-N389 PolarHBondContact O-OD1 2.88Å; C215-R420 PolarHBondContact O-NH1 2.72Å
216	S	98.4	Very high	77.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.5	158.6	-56.1	0	0	0	0	108.9	S233 S387 R420 M441 I460	S216-S233 PolarHBondContact N-O 2.56Å; S216-S233 PolarHBondContact O-N 2.84Å; S216-S387 WeakPolarHBondContact CA-O 3.07Å; S216-R420 WeakPolarHBondContact OG-CD 3.45Å; S216-M441 WeakPolarHBondContact O-CE 3.28Å; S216-I460 PolarHBondContact OG-O 2.91Å; S216-I460 VanDerWaalsContact OG-O 3.09Å
217	A	98.8	Very high	79.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151	175.6	0	0	0	0	0	111.1	A231 T287 T289 M343 S387	A217-A231 WeakPolarHBondContact CA-O 3.39Å; A217-T287 HydrophobicContact CB-CG2 4.09Å; A217-T289 HydrophobicContact CB-CG2 3.94Å; A217-M343 HydrophobicContact CB-CE 4.12Å; A217-M343 HydrophobicContact CB-SD 4.23Å; A217-S387 PolarHBondContact N-O 2.98Å; A217-S387 PolarHBondContact O-N 2.65Å
218	L	98.9	Very high	81.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	124.6	174.8	-177.1	64.3	0	0	0	109.8	K220 A231 H384 P386 F424 V431 L437 I440 M441	L218-K220 HydrophobicContact CG-CB 4.37Å; L218-A231 PolarHBondContact N-O 3.03Å; L218-A231 PolarHBondContact O-N 2.86Å; L218-H384 HydrophobicContact CD1-CB 4.1Å; L218-P386 HydrophobicContact CD1-CB 4.38Å; L218-F424 HydrophobicContact CB-CE1 4.07Å; L218-F424 HydrophobicContact CD1-CD1 4.27Å; L218-F424 HydrophobicContact CD1-CE1 4.42Å; L218-F424 HydrophobicContact CD2-CD1 4.37Å; L218-F424 HydrophobicContact CD2-CE1 4.22Å; L218-F424 HydrophobicContact CG-CE1 4.48Å; L218-V431 HydrophobicContact CD2-CG2 4.2Å; L218-L437 HydrophobicContact CD2-CD1 3.99Å; L218-L437 HydrophobicContact CG-CD1 4.47Å; L218-I440 HydrophobicContact CD2-CD1 4.39Å; L218-I440 HydrophobicContact CD2-CG2 3.99Å; L218-M441 HydrophobicContact CB-SD 3.65Å
219	I	98.9	Very high	84.6	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.3	167.8	-49.8	174.2	0	0	0	106.2	L228 L229 F230 M343 V345 L361 L380 H384 W385	I219-L228 HydrophobicContact CG2-CD2 3.96Å; I219-L228 HydrophobicContact CG2-CG 4.38Å; I219-L229 CarbonylContact C-O 3.56Å; I219-L229 WeakPolarHBondContact CA-O 3.3Å; I219-F230 HydrophobicContact CD1-CD2 4.13Å; I219-F230 HydrophobicContact CD1-CE2 3.93Å; I219-F230 HydrophobicContact CG1-CD2 3.77Å; I219-F230 HydrophobicContact CG1-CE2 3.98Å; I219-F230 HydrophobicContact CG2-CD2 4.36Å; I219-M343 HydrophobicContact CD1-CB 3.73Å; I219-M343 HydrophobicContact CD1-CG 4.29Å; I219-M343 HydrophobicContact CD1-SD 4.46Å; I219-V345 HydrophobicContact CD1-CG2 3.7Å; I219-V345 HydrophobicContact CG2-CG2 4.11Å; I219-L361 HydrophobicContact CD1-CD1 3.74Å; I219-L380 HydrophobicContact CB-CD2 4.2Å; I219-L380 HydrophobicContact CG2-CD2 3.63Å; I219-H384 CarbonylContact O-C 3.46Å; I219-H384 WeakPolarHBondContact O-CA 2.9Å; I219-H384 WeakPolarHBondContact O-CB 3.29Å; I219-W385 HydrophobicContact CB-CB 4.31Å; I219-W385 PolarHBondContact N-O 3.1Å; I219-W385 PolarHBondContact O-N 2.99Å
220	K	98.8	Very high	87	Confident	11 Å²	11	20.8 Å²	20.8	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.3	-171.3	171.9	75.6	-163.2	-160.3	0	109.8	L218 L222 L229 G383 H384 Q428 V431	L218-K220 HydrophobicContact CG-CB 4.37Å; K220-L222 HydrophobicContact CG-CD2 4.49Å; K220-L229 HydrophobicContact CB-CB 4.17Å; K220-L229 HydrophobicContact CG-CD1 4.45Å; K220-L229 PolarHBondContact N-O 3.48Å; K220-L229 PolarHBondContact O-N 3Å; K220-G383 WeakPolarHBondContact CD-O 3.46Å; K220-H384 HydrophobicContact CD-CB 4.16Å; K220-Q428 PolarHBondContact NZ-O 3.41Å; K220-V431 HydrophobicContact CB-CG1 4.47Å; K220-V431 HydrophobicContact CD-CB 4.3Å; K220-V431 HydrophobicContact CG-CB 4.1Å; K220-V431 HydrophobicContact CG-CG1 3.9Å
221	M	98.8	Very high	89.6	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130	169.7	-177.1	60.1	57.3	0	0	109.3	Y225 D227 L228 V350 I356 L380 G383	M221-Y225 HydrophobicContact CG-CD1 3.43Å; M221-Y225 VanDerWaalsContact CG-CD1 3.43Å; M221-Y225 HydrophobicContact CG-CE1 3.87Å; M221-Y225 HydrophobicContact CG-CG 4.39Å; M221-Y225 HydrophobicContact SD-CD1 3.83Å; M221-Y225 HydrophobicContact SD-CG 4.23Å; M221-D227 VanDerWaalsContact SD-O 3.37Å; M221-L228 HydrophobicContact CE-CB 3.71Å; M221-L228 HydrophobicContact CE-CD1 3.61Å; M221-L228 HydrophobicContact CE-CG 3.82Å; M221-L228 HydrophobicContact SD-CB 4.47Å; M221-V350 HydrophobicContact CE-CG1 3.99Å; M221-I356 HydrophobicContact CE-CD1 3.64Å; M221-I356 HydrophobicContact CE-CG1 4.17Å; M221-I356 HydrophobicContact CG-CD1 3.85Å; M221-I356 HydrophobicContact SD-CD1 4.05Å; M221-L380 VanDerWaalsContact CB-O 3.31Å; M221-L380 WeakPolarHBondContact CB-O 3.34Å; M221-G383 PolarHBondContact N-O 2.85Å
222	L	98.6	Very high	92	Very high	18 Å²	18	19.6 Å²	19.6	9%	0.094	11%	0.111	C	C	.	.			trans	-71.8	154.9	176.8	-63.2	-169.6	0	0	0	111.8	K220 G224 Y225 E226 D227 L229 K432	K220-L222 HydrophobicContact CG-CD2 4.49Å; L222-G224 VanDerWaalsContact C-N 3.33Å; L222-G224 PolarHBondContact O-N 3.14Å; L222-Y225 WeakPolarHBondContact O-CA 3.49Å; L222-Y225 PolarHBondContact O-N 2.96Å; L222-E226 HydrophobicContact CB-CB 4.47Å; L222-E226 WeakPolarHBondContact CB-OE2 3.47Å; L222-D227 HydrophobicContact CD1-CB 3.63Å; L222-D227 HydrophobicContact CG-CB 4.08Å; L222-D227 PolarHBondContact N-O 3.22Å; L222-L229 HydrophobicContact CD2-CD1 3.89Å; L222-L229 HydrophobicContact CD2-CG 4.39Å; L222-K432 WeakPolarHBondContact CD1-O 3.31Å
223	P	97.5	Very high	94.5	Very high	99 Å²	99	17.5 Å²	17.5	64%	0.643	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-34	-163.9	-27.5	36.6	0	0	0	116.3
224	G	97.3	Very high	96.7	Very high	38 Å²	38	17.4 Å²	17.4	39%	0.392	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	17.4	175.8	0	0	0	0	0	113.2	L222 E226	L222-G224 VanDerWaalsContact C-N 3.33Å; L222-G224 PolarHBondContact O-N 3.14Å; G224-E226 VanDerWaalsContact CA-CD 3.41Å; G224-E226 VanDerWaalsContact CA-OE1 3.31Å; G224-E226 WeakPolarHBondContact CA-OE1 3.35Å; G224-E226 VanDerWaalsContact CA-OE2 3.3Å; G224-E226 WeakPolarHBondContact CA-OE2 3.47Å; G224-E226 PolarHBondContact N-OE1 3Å; G224-E226 VanDerWaalsContact N-OE1 3.14Å; G224-E226 PolarHBondContact N-OE2 3.14Å; G224-E226 PolarHBondContact O-N 3.35Å
225	Y	98.4	Very high	98.2	Very high	57 Å²	57	17.3 Å²	17.3	22%	0.224	10%	0.098	C	C	.	.	S	Bend	trans	59.4	30	-172.6	-52	-22	0	0	0	113.1	M221 L222 D227 L352 G353 I356	M221-Y225 HydrophobicContact CG-CD1 3.43Å; M221-Y225 VanDerWaalsContact CG-CD1 3.43Å; M221-Y225 HydrophobicContact CG-CE1 3.87Å; M221-Y225 HydrophobicContact CG-CG 4.39Å; M221-Y225 HydrophobicContact SD-CD1 3.83Å; M221-Y225 HydrophobicContact SD-CG 4.23Å; L222-Y225 WeakPolarHBondContact O-CA 3.49Å; L222-Y225 PolarHBondContact O-N 2.96Å; Y225-D227 PolarHBondContact O-N 3.4Å; Y225-L352 CarbonylContact O-C 3.56Å; Y225-L352 WeakPolarHBondContact O-CA 3.3Å; Y225-L352 WeakPolarHBondContact O-CB 3.22Å; Y225-L352 WeakPolarHBondContact O-CD2 3.16Å; Y225-G353 PolarHBondContact O-N 3.4Å; Y225-I356 HydrophobicContact CD1-CD1 3.96Å; Y225-I356 HydrophobicContact CD2-CD1 4.39Å; Y225-I356 HydrophobicContact CD2-CG1 4.21Å; Y225-I356 HydrophobicContact CE1-CD1 3.7Å; Y225-I356 HydrophobicContact CE2-CD1 4.17Å; Y225-I356 HydrophobicContact CE2-CG1 4.15Å; Y225-I356 HydrophobicContact CG-CD1 4.3Å; Y225-I356 HydrophobicContact CG-CG1 4.42Å
226	E	98.3	Very high	98.2	Very high	101 Å²	101	17.6 Å²	17.6	47%	0.472	10%	0.099	S	C	.	.	S	Bend	trans	-66.7	-30.1	-177.8	-54.5	89.6	161.5	0	0	112	L222 G224	L222-E226 HydrophobicContact CB-CB 4.47Å; L222-E226 WeakPolarHBondContact CB-OE2 3.47Å; G224-E226 VanDerWaalsContact CA-CD 3.41Å; G224-E226 VanDerWaalsContact CA-OE1 3.31Å; G224-E226 WeakPolarHBondContact CA-OE1 3.35Å; G224-E226 VanDerWaalsContact CA-OE2 3.3Å; G224-E226 WeakPolarHBondContact CA-OE2 3.47Å; G224-E226 PolarHBondContact N-OE1 3Å; G224-E226 VanDerWaalsContact N-OE1 3.14Å; G224-E226 PolarHBondContact N-OE2 3.14Å; G224-E226 PolarHBondContact O-N 3.35Å
227	D	98.6	Very high	98	Very high	22 Å²	22	17.9 Å²	17.9	12%	0.118	10%	0.101	C	C	.	.			trans	-157.7	159.7	178.6	-150.1	-18.6	0	0	0	111.6	M221 L222 Y225 D483 F484	M221-D227 VanDerWaalsContact SD-O 3.37Å; L222-D227 HydrophobicContact CD1-CB 3.63Å; L222-D227 HydrophobicContact CG-CB 4.08Å; L222-D227 PolarHBondContact N-O 3.22Å; Y225-D227 PolarHBondContact O-N 3.4Å; D227-D483 WeakPolarHBondContact OD2-CB 3.39Å; D227-F484 WeakPolarHBondContact OD1-CB 3.23Å; D227-F484 PolarHBondContact OD1-N 3.03Å
228	L	98.8	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.8	169.4	-175	162.8	0	0	0	108.5	I219 M221 F230 M285 V345 V350 L380 D483 F484	I219-L228 HydrophobicContact CG2-CD2 3.96Å; I219-L228 HydrophobicContact CG2-CG 4.38Å; M221-L228 HydrophobicContact CE-CB 3.71Å; M221-L228 HydrophobicContact CE-CD1 3.61Å; M221-L228 HydrophobicContact CE-CG 3.82Å; M221-L228 HydrophobicContact SD-CB 4.47Å; L228-F230 HydrophobicContact CD2-CB 4.27Å; L228-M285 HydrophobicContact CD2-CE 3.81Å; L228-V345 HydrophobicContact CD1-CG1 3.83Å; L228-V345 HydrophobicContact CD2-CG1 4.46Å; L228-V350 HydrophobicContact CD1-CG1 4.43Å; L228-V350 HydrophobicContact CD1-CG2 3.93Å; L228-L380 HydrophobicContact CD1-CD1 4.27Å; L228-D483 CarbonylContact O-C 3.59Å; L228-D483 WeakPolarHBondContact O-CA 3.38Å; L228-F484 HydrophobicContact CB-CB 4.3Å; L228-F484 HydrophobicContact CB-CD2 4.24Å; L228-F484 PolarHBondContact O-N 2.81Å
229	L	98.9	Very high	97.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.9	178.9	-54	-179.5	0	0	0	110.5	I219 K220 L222 V431 D433 L437 D483	I219-L229 CarbonylContact C-O 3.56Å; I219-L229 WeakPolarHBondContact CA-O 3.3Å; K220-L229 HydrophobicContact CB-CB 4.17Å; K220-L229 HydrophobicContact CG-CD1 4.45Å; K220-L229 PolarHBondContact N-O 3.48Å; K220-L229 PolarHBondContact O-N 3Å; L222-L229 HydrophobicContact CD2-CD1 3.89Å; L222-L229 HydrophobicContact CD2-CG 4.39Å; L229-V431 HydrophobicContact CD1-CG1 3.68Å; L229-D433 WeakPolarHBondContact CD1-O 3.5Å; L229-L437 HydrophobicContact CB-CD2 3.7Å; L229-L437 HydrophobicContact CD1-CB 4.34Å; L229-D483 HydrophobicContact CD2-CB 3.69Å
230	F	98.9	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.7	-172.2	-176.7	-95.3	0	0	0	110.6	I219 L228 F277 M285 T287 V345 V481 T482	I219-F230 HydrophobicContact CD1-CD2 4.13Å; I219-F230 HydrophobicContact CD1-CE2 3.93Å; I219-F230 HydrophobicContact CG1-CD2 3.77Å; I219-F230 HydrophobicContact CG1-CE2 3.98Å; I219-F230 HydrophobicContact CG2-CD2 4.36Å; L228-F230 HydrophobicContact CD2-CB 4.27Å; F230-F277 AromaticContact CD1-CD2 3.98Å; F230-F277 HydrophobicContact CD1-CD2 3.98Å; F230-F277 AromaticContact CD1-CE2 3.39Å; F230-F277 HydrophobicContact CD1-CE2 3.39Å; F230-F277 HydrophobicContact CD1-CZ 4.02Å; F230-F277 AromaticContact CE1-CD2 3.66Å; F230-F277 HydrophobicContact CE1-CD2 3.66Å; F230-F277 AromaticContact CE1-CE2 3.56Å; F230-F277 HydrophobicContact CE1-CE2 3.56Å; F230-F277 HydrophobicContact CE1-CZ 4.28Å; F230-M285 HydrophobicContact CB-SD 4.46Å; F230-M285 HydrophobicContact CD2-CB 4.5Å; F230-M285 HydrophobicContact CE1-CB 4.27Å; F230-M285 HydrophobicContact CE2-CB 4.25Å; F230-M285 HydrophobicContact CG-SD 4.46Å; F230-M285 HydrophobicContact CZ-CB 4.12Å; F230-T287 HydrophobicContact CE1-CG2 4.19Å; F230-T287 HydrophobicContact CE2-CG2 3.69Å; F230-T287 VanDerWaalsContact CZ-CB 3.43Å; F230-T287 HydrophobicContact CZ-CG2 3.36Å; F230-V345 HydrophobicContact CD2-CG2 4.14Å; F230-V345 HydrophobicContact CE2-CG2 4.06Å; F230-V481 CarbonylContact O-C 3.58Å; F230-V481 WeakPolarHBondContact O-CA 3.3Å; F230-T482 HydrophobicContact CB-CG2 3.91Å; F230-T482 HydrophobicContact CD1-CG2 4.08Å; F230-T482 HydrophobicContact CG-CG2 4.44Å; F230-T482 PolarHBondContact N-O 3.01Å; F230-T482 PolarHBondContact O-N 3.05Å
231	A	98.9	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.1	-174.5	0	0	0	0	0	115.1	A217 L218 L437 M441 K480 V481	A217-A231 WeakPolarHBondContact CA-O 3.39Å; L218-A231 PolarHBondContact N-O 3.03Å; L218-A231 PolarHBondContact O-N 2.86Å; A231-L437 HydrophobicContact CB-CD1 3.82Å; A231-L437 HydrophobicContact CB-CD2 3.7Å; A231-L437 HydrophobicContact CB-CG 3.8Å; A231-M441 HydrophobicContact CB-CE 4.27Å; A231-M441 HydrophobicContact CB-CG 3.67Å; A231-M441 HydrophobicContact CB-SD 4.27Å; A231-K480 VanDerWaalsContact CA-O 3.24Å; A231-K480 WeakPolarHBondContact CA-O 3.41Å; A231-V481 HydrophobicContact CB-CB 4.49Å; A231-V481 HydrophobicContact CB-CG1 3.81Å
232	H	98.9	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	135.1	177.5	-179.4	-82.2	0	0	0	111.5	C215 S234 D275 F277 T287 Q288 T479 K480	C215-H232 VanDerWaalsContact CB-NE2 3.28Å; C215-H232 WeakPolarHBondContact CB-NE2 3.24Å; C215-H232 PolarHBondContact SG-CE1 3.15Å; C215-H232 PolarHBondContact SG-NE2 2.98Å; H232-S234 PolarHBondContact CE1-OG 3.25Å; H232-D275 VanDerWaalsContact CE1-C 3.49Å; H232-D275 PolarHBondContact CE1-O 2.82Å; H232-D275 PolarHBondContact NE2-O 3.02Å; H232-F277 HydrophobicContact CB-CB 4.44Å; H232-F277 HydrophobicContact CB-CD2 4.02Å; H232-T287 WeakPolarHBondContact CB-OG1 3.42Å; H232-T287 PolarHBondContact CD2-OG1 2.84Å; H232-Q288 PolarHBondContact CD2-O 2.71Å; H232-Q288 VanDerWaalsContact CD2-O 3.23Å; H232-Q288 PolarHBondContact NE2-O 2.84Å; H232-T479 CarbonylContact O-C 3.55Å; H232-T479 WeakPolarHBondContact O-CA 3.4Å; H232-K480 PolarHBondContact N-O 3.06Å; H232-K480 PolarHBondContact ND1-NZ 3.21Å; H232-K480 PolarHBondContact O-N 2.99Å
233	S	98.8	Very high	97.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.4	172.5	-64.5	0	0	0	0	110.2	C215 S216 M441 D478 T479	C215-S233 WeakPolarHBondContact CA-O 3.49Å; S216-S233 PolarHBondContact N-O 2.56Å; S216-S233 PolarHBondContact O-N 2.84Å; S233-M441 PolarHBondContact OG-O 2.57Å; S233-D478 VanDerWaalsContact CA-O 3.3Å; S233-D478 WeakPolarHBondContact CA-O 3.34Å; S233-D478 VanDerWaalsContact CB-O 3.31Å; S233-D478 WeakPolarHBondContact CB-O 3.3Å; S233-D478 PolarHBondContact OG-O 2.72Å; S233-T479 PolarHBondContact OG-OG1 3.27Å
234	S	98.1	Very high	97.8	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.5	179.1	-58.8	0	0	0	0	111.2	H232 D275 C476 Y477 D478 K480	H232-S234 PolarHBondContact CE1-OG 3.25Å; S234-D275 WeakPolarHBondContact OG-CB 3.43Å; S234-D275 PolarHBondContact OG-OD1 3.46Å; S234-C476 CarbonylContact O-C 3.59Å; S234-C476 VanDerWaalsContact O-CA 3.24Å; S234-C476 WeakPolarHBondContact O-CA 3.33Å; S234-Y477 VanDerWaalsContact CB-CE2 3.44Å; S234-Y477 PolarHBondContact O-N 2.86Å; S234-D478 WeakPolarHBondContact CB-OD1 3.42Å; S234-D478 WeakPolarHBondContact CB-OD2 3.38Å; S234-D478 PolarHBondContact N-OD1 3.42Å; S234-D478 PolarHBondContact OG-OD1 3.3Å; S234-D478 PolarHBondContact OG-OD2 3.4Å; S234-D478 VanDerWaalsContact OG-OD2 3.12Å; S234-K480 PolarHBondContact OG-NZ 2.71Å
235	W	96.1	Very high	97.9	Very high	11 Å²	11	10 Å²	10	4%	0.042	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.3	172.1	-58.4	18.3	0	0	0	110.7	G213 H214 C457 T459 I460 C462 G475 C476	G213-W235 WeakPolarHBondContact O-CB 3.29Å; H214-W235 CarbonylContact C-O 3.58Å; H214-W235 VanDerWaalsContact CA-O 3.25Å; H214-W235 WeakPolarHBondContact CA-O 3.24Å; H214-W235 CarbonylContact O-C 3.59Å; H214-W235 VanDerWaalsContact O-C 3.31Å; H214-W235 WeakPolarHBondContact O-CA 3.38Å; H214-W235 VanDerWaalsContact O-CB 3.28Å; H214-W235 WeakPolarHBondContact O-CB 3.33Å; H214-W235 PolarHBondContact O-N 2.85Å; W235-C457 WeakPolarHBondContact CH2-O 3.49Å; W235-T459 WeakPolarHBondContact CH2-O 3.46Å; W235-T459 WeakPolarHBondContact CZ2-O 3.21Å; W235-I460 VanDerWaalsContact CE2-O 3.31Å; W235-I460 VanDerWaalsContact CZ2-C 3.49Å; W235-I460 WeakPolarHBondContact CZ2-O 3.47Å; W235-I460 PolarHBondContact NE1-O 3.27Å; W235-C462 HydrophobicContact CD2-CB 3.71Å; W235-C462 HydrophobicContact CE3-CB 3.42Å; W235-C462 VanDerWaalsContact CE3-CB 3.42Å; W235-C462 HydrophobicContact CH2-CB 3.38Å; W235-C462 HydrophobicContact CZ2-CB 3.65Å; W235-C462 HydrophobicContact CZ3-CB 3.27Å; W235-G475 CarbonylContact C-O 3.59Å; W235-G475 WeakPolarHBondContact CA-O 3.44Å; W235-C476 VanDerWaalsContact CD1-CA 3.44Å; W235-C476 VanDerWaalsContact CD1-CB 3.4Å; W235-C476 HydrophobicContact CD2-CB 4.46Å; W235-C476 HydrophobicContact CG-CB 4.03Å
236	Y	94	Very high	97.9	Very high	9 Å²	9	7.3 Å²	7.3	4%	0.035	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	-162.6	172.6	-177.6	-138.2	0	0	0	109.4	M107 V186 L190 L204 H214 A240 G474 G475	M107-Y236 HydrophobicContact CE-CD1 4.39Å; M107-Y236 HydrophobicContact CE-CE1 3.41Å; M107-Y236 VanDerWaalsContact CE-CE1 3.41Å; V186-Y236 HydrophobicContact CG1-CE1 4.04Å; L190-Y236 HydrophobicContact CD2-CE2 4.11Å; L204-Y236 HydrophobicContact CD1-CE2 3.93Å; L204-Y236 HydrophobicContact CD2-CE2 4Å; L204-Y236 HydrophobicContact CG-CE2 4.5Å; H214-Y236 AromaticContact CE1-CD2 3.93Å; Y236-A240 HydrophobicContact CD1-CB 3.85Å; Y236-A240 HydrophobicContact CE1-CB 4.37Å; Y236-G474 CarbonylContact O-C 3.23Å; Y236-G474 VanDerWaalsContact O-CA 3.27Å; Y236-G474 WeakPolarHBondContact O-CA 3.42Å; Y236-G475 PolarHBondContact N-O 2.67Å; Y236-G475 PolarHBondContact O-N 2.81Å; Y236-G475 VanDerWaalsContact O-O 3.13Å
237	T	94.7	Very high	97.9	Very high	5 Å²	5	2.5 Å²	2.5	3%	0.031	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.4	173	179.1	0	0	0	0	110.3	M107 Q110 A239 A240	M107-T237 HydrophobicContact CE-CG2 4Å; M107-T237 HydrophobicContact SD-CG2 4.11Å; Q110-T237 HydrophobicContact CB-CG2 4.46Å; Q110-T237 HydrophobicContact CG-CG2 4.06Å; Q110-T237 PolarHBondContact OE1-OG1 2.84Å; Q110-T237 VanDerWaalsContact OE1-OG1 3.07Å; T237-A239 HydrophobicContact CG2-CB 4.17Å; T237-A239 PolarHBondContact O-N 3.47Å; T237-A239 PolarHBondContact OG1-N 3.49Å; T237-A240 HydrophobicContact CG2-CB 4.29Å; T237-A240 VanDerWaalsContact O-CB 3.29Å; T237-A240 WeakPolarHBondContact O-CB 3.32Å; T237-A240 PolarHBondContact O-N 3.08Å
238	Y	97.1	Very high	97.9	Very high	1 Å²	1	1.4 Å²	1.4	0%	0.004	1%	0.007	C	C	.	.	G	3₁₀ helix	trans	-66.8	-16.7	177.1	-62.1	-17.9	0	0	0	112.1	A240 T241 D465 P473 G474 Y477 P498 F507 W509	Y238-A240 PolarHBondContact O-N 3.27Å; Y238-A240 VanDerWaalsContact O-N 3.13Å; Y238-T241 WeakPolarHBondContact O-CB 3.5Å; Y238-T241 VanDerWaalsContact O-CG2 3.29Å; Y238-T241 WeakPolarHBondContact O-CG2 3.44Å; Y238-T241 PolarHBondContact O-N 3.16Å; Y238-T241 PolarHBondContact O-OG1 3.42Å; Y238-D465 HydrophobicContact CE2-CB 4.02Å; Y238-D465 PolarHBondContact OH-OD1 2.66Å; Y238-P473 WeakPolarHBondContact CB-O 3.38Å; Y238-P473 HydrophobicContact CD2-CB 3.8Å; Y238-P473 VanDerWaalsContact CG-C 3.49Å; Y238-P473 HydrophobicContact CG-CB 4.32Å; Y238-P473 PolarHBondContact N-O 3.24Å; Y238-G474 VanDerWaalsContact CZ-C 3.47Å; Y238-G474 VanDerWaalsContact CZ-O 3.24Å; Y238-G474 PolarHBondContact OH-O 3.33Å; Y238-G474 VanDerWaalsContact OH-O 3.11Å; Y238-Y477 HydrophobicContact CD1-CD1 4.28Å; Y238-P498 HydrophobicContact CD1-CG 4.13Å; Y238-P498 HydrophobicContact CD2-CG 3.92Å; Y238-P498 HydrophobicContact CE1-CB 4.33Å; Y238-P498 HydrophobicContact CE1-CG 3.68Å; Y238-P498 HydrophobicContact CE2-CB 4.18Å; Y238-P498 HydrophobicContact CE2-CG 3.46Å; Y238-P498 VanDerWaalsContact CE2-CG 3.46Å; Y238-P498 HydrophobicContact CG-CG 4.24Å; Y238-F507 HydrophobicContact CD2-CD1 4.23Å; Y238-F507 AromaticContact CD2-CD2 3.76Å; Y238-F507 HydrophobicContact CD2-CD2 3.76Å; Y238-F507 HydrophobicContact CD2-CE1 4.05Å; Y238-F507 AromaticContact CD2-CE2 3.53Å; Y238-F507 HydrophobicContact CD2-CE2 3.53Å; Y238-F507 HydrophobicContact CD2-CG 4.11Å; Y238-F507 AromaticContact CD2-CZ 3.7Å; Y238-F507 HydrophobicContact CD2-CZ 3.7Å; Y238-F507 AromaticContact CE2-CD2 3.74Å; Y238-F507 HydrophobicContact CE2-CD2 3.74Å; Y238-F507 AromaticContact CE2-CE2 3.9Å; Y238-F507 HydrophobicContact CE2-CE2 3.9Å; Y238-F507 HydrophobicContact CE2-CG 4.2Å; Y238-F507 HydrophobicContact CE2-CZ 4.5Å; Y238-W509 WeakPolarHBondContact O-CZ2 3.25Å
239	A	96.8	Very high	97.9	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.007	C	C	.	.	G	3₁₀ helix	trans	-60.1	-19.6	169.9	0	0	0	0	0	112.7	N106 Q110 T237 T241 W509 I515	N106-A239 HydrophobicContact CB-CB 4.38Å; Q110-A239 HydrophobicContact CG-CB 4.26Å; T237-A239 HydrophobicContact CG2-CB 4.17Å; T237-A239 PolarHBondContact O-N 3.47Å; T237-A239 PolarHBondContact OG1-N 3.49Å; A239-T241 VanDerWaalsContact C-N 3.32Å; A239-W509 HydrophobicContact CB-CH2 4.4Å; A239-I515 HydrophobicContact CB-CG2 4.44Å
240	A	97.1	Very high	97.9	Very high	1 Å²	1	1.9 Å²	1.9	1%	0.008	1%	0.008	C	C	.	.	G	3₁₀ helix	trans	-79.4	-8.5	176	0	0	0	0	0	113.7	M107 Y236 T237 Y238 M242 Y267 Y477	M107-A240 HydrophobicContact CE-CB 4.43Å; M107-A240 HydrophobicContact SD-CB 3.71Å; Y236-A240 HydrophobicContact CD1-CB 3.85Å; Y236-A240 HydrophobicContact CE1-CB 4.37Å; T237-A240 HydrophobicContact CG2-CB 4.29Å; T237-A240 VanDerWaalsContact O-CB 3.29Å; T237-A240 WeakPolarHBondContact O-CB 3.32Å; T237-A240 PolarHBondContact O-N 3.08Å; Y238-A240 PolarHBondContact O-N 3.27Å; Y238-A240 VanDerWaalsContact O-N 3.13Å; A240-M242 PolarHBondContact O-N 3.38Å; A240-Y267 HydrophobicContact CB-CE1 4.18Å; A240-Y267 WeakPolarHBondContact O-CD1 3.33Å; A240-Y267 WeakPolarHBondContact O-CE1 3.46Å; A240-Y477 HydrophobicContact CB-CE1 4.05Å
241	T	97.9	Very high	97.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.			trans	-72.4	18.9	-170.7	57.6	0	0	0	0	116.1	Y238 A239 R243 Y477 N496 Y524	Y238-T241 WeakPolarHBondContact O-CB 3.5Å; Y238-T241 VanDerWaalsContact O-CG2 3.29Å; Y238-T241 WeakPolarHBondContact O-CG2 3.44Å; Y238-T241 PolarHBondContact O-N 3.16Å; Y238-T241 PolarHBondContact O-OG1 3.42Å; A239-T241 VanDerWaalsContact C-N 3.32Å; T241-R243 WeakPolarHBondContact O-CG 3.5Å; T241-R243 PolarHBondContact O-N 2.97Å; T241-Y477 HydrophobicContact CG2-CD1 3.96Å; T241-Y477 HydrophobicContact CG2-CD2 4.16Å; T241-Y477 HydrophobicContact CG2-CG 3.64Å; T241-N496 PolarHBondContact O-ND2 2.77Å; T241-Y524 HydrophobicContact CG2-CE1 4.35Å; T241-Y524 PolarHBondContact OG1-OH 3.4Å
242	M	98.4	Very high	97.6	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	3%	0.033	C	C	.	.			trans	-81.4	95.1	166.8	-170.1	168.9	-66.5	0	0	107.9	L60 Q99 D102 H103 A240 P268 Q518 L520	L60-M242 HydrophobicContact CD2-CG 3.76Å; Q99-M242 HydrophobicContact CB-SD 3.8Å; Q99-M242 HydrophobicContact CG-SD 4.35Å; D102-M242 HydrophobicContact CB-CE 3.56Å; D102-M242 HydrophobicContact CB-SD 4.07Å; H103-M242 HydrophobicContact CB-CB 4.34Å; H103-M242 HydrophobicContact CB-CG 4.5Å; H103-M242 HydrophobicContact CB-SD 3.79Å; A240-M242 PolarHBondContact O-N 3.38Å; M242-P268 HydrophobicContact CB-CG 4.44Å; M242-P268 HydrophobicContact CG-CG 3.71Å; M242-P268 WeakPolarHBondContact O-CD 3.48Å; M242-P268 HydrophobicContact SD-CG 3.88Å; M242-Q518 WeakPolarHBondContact CE-O 3.34Å; M242-L520 HydrophobicContact CB-CD2 3.58Å; M242-L520 HydrophobicContact CE-CD2 4.07Å; M242-L520 HydrophobicContact CG-CD2 4.4Å; M242-L520 VanDerWaalsContact N-CD2 3.29Å
243	R	98.7	Very high	97.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.			trans	-105.7	138.3	-165.6	-54.7	-52.6	-64.5	-76.4	6.7	112.9	W65 S66 T241 S266 Y267 D275 D478 N496	W65-R243 HydrophobicContact CD2-CB 3.87Å; W65-R243 HydrophobicContact CE3-CB 3.36Å; W65-R243 HydrophobicContact CE3-CG 4.33Å; W65-R243 HydrophobicContact CH2-CB 4.15Å; W65-R243 HydrophobicContact CH2-CG 4.34Å; W65-R243 VanDerWaalsContact CH2-NH2 3.33Å; W65-R243 HydrophobicContact CZ3-CB 3.53Å; W65-R243 HydrophobicContact CZ3-CG 4.19Å; S66-R243 PolarHBondContact N-O 2.84Å; T241-R243 WeakPolarHBondContact O-CG 3.5Å; T241-R243 PolarHBondContact O-N 2.97Å; R243-S266 PolarHBondContact NE-O 2.85Å; R243-Y267 VanDerWaalsContact NE-CE1 3.29Å; R243-Y267 PolarHBondContact NE-OH 3.32Å; R243-Y267 PolarHBondContact NH2-OH 2.95Å; R243-D275 IonicContact CZ-OD2 2.7Å; R243-D275 VanDerWaalsContact NH2-CG 3.31Å; R243-D275 IonicContact NH2-OD1 3.42Å; R243-D275 PolarHBondContact NH2-OD1 2.95Å; R243-D275 IonicContact NH2-OD2 2.76Å; R243-D275 PolarHBondContact NH2-OD2 3.3Å; R243-D478 IonicContact CZ-OD2 3.46Å; R243-D478 VanDerWaalsContact NH1-CB 3.32Å; R243-D478 IonicContact NH1-OD2 2.7Å; R243-D478 PolarHBondContact NH1-OD2 3.3Å; R243-D478 IonicContact NH2-OD2 3.61Å; R243-D478 PolarHBondContact NH2-OD2 3.15Å; R243-N496 HydrophobicContact CG-CB 4.23Å; R243-N496 VanDerWaalsContact CG-CG 3.41Å; R243-N496 VanDerWaalsContact CG-ND2 3.29Å; R243-N496 WeakPolarHBondContact CG-ND2 3.46Å; R243-N496 WeakPolarHBondContact CG-OD1 3.18Å
244	I	98.9	Very high	97.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.4	168	-52.6	-169.1	0	0	0	107.8	L56 S66 L68 K246 S266 P268	L56-I244 HydrophobicContact CD1-CD1 4.12Å; L56-I244 HydrophobicContact CD1-CG2 4.31Å; S66-I244 CarbonylContact O-C 3.56Å; S66-I244 WeakPolarHBondContact O-CA 3.31Å; L68-I244 HydrophobicContact CB-CG2 3.42Å; L68-I244 VanDerWaalsContact CB-CG2 3.42Å; L68-I244 HydrophobicContact CD2-CG2 4.47Å; I244-K246 HydrophobicContact CB-CG 4.46Å; I244-K246 HydrophobicContact CG2-CG 3.85Å; I244-S266 PolarHBondContact N-O 2.98Å; I244-S266 VanDerWaalsContact N-O 3.1Å; I244-S266 CarbonylContact O-C 3.57Å; I244-S266 VanDerWaalsContact O-CA 3.3Å; I244-S266 WeakPolarHBondContact O-CA 3.46Å; I244-S266 WeakPolarHBondContact O-CB 3.3Å; I244-S266 PolarHBondContact O-N 3.36Å; I244-S266 VanDerWaalsContact O-O 3.1Å; I244-P268 HydrophobicContact CD1-CB 3.95Å; I244-P268 HydrophobicContact CD1-CG 3.8Å; I244-P268 HydrophobicContact CG1-CG 3.92Å
245	Y	98.9	Very high	97.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.5	164.8	-154.7	-77.5	0	0	0	108.6	W65 S66 V67 L68 H247 K480 A492 A494 M531	W65-Y245 HydrophobicContact CE3-CD2 4.42Å; W65-Y245 HydrophobicContact CZ3-CD2 4.23Å; S66-Y245 PolarHBondContact O-N 3Å; V67-Y245 WeakPolarHBondContact CA-O 3.41Å; L68-Y245 PolarHBondContact N-O 2.82Å; Y245-H247 AromaticContact CD1-CE1 3.71Å; Y245-H247 AromaticContact CD1-NE2 3.57Å; Y245-H247 AromaticContact CE1-CE1 3.56Å; Y245-H247 AromaticContact CE1-NE2 3.91Å; Y245-K480 HydrophobicContact CE2-CG 4.5Å; Y245-A492 HydrophobicContact CE2-CB 4.5Å; Y245-A492 WeakPolarHBondContact OH-CB 3.48Å; Y245-A494 HydrophobicContact CD2-CB 4.36Å; Y245-A494 HydrophobicContact CE2-CB 4.36Å; Y245-M531 HydrophobicContact CD1-CB 3.69Å; Y245-M531 HydrophobicContact CD1-CG 4.05Å; Y245-M531 HydrophobicContact CD2-CB 3.98Å; Y245-M531 HydrophobicContact CD2-CE 4.08Å; Y245-M531 HydrophobicContact CD2-CG 3.49Å; Y245-M531 VanDerWaalsContact CD2-CG 3.49Å; Y245-M531 HydrophobicContact CD2-SD 4.15Å; Y245-M531 HydrophobicContact CE1-CB 3.67Å; Y245-M531 HydrophobicContact CE1-CG 4.3Å; Y245-M531 HydrophobicContact CE2-CB 3.93Å; Y245-M531 HydrophobicContact CE2-CG 3.75Å; Y245-M531 HydrophobicContact CG-CB 3.85Å; Y245-M531 HydrophobicContact CG-CE 4.23Å; Y245-M531 HydrophobicContact CG-CG 3.65Å; Y245-M531 HydrophobicContact CG-SD 3.91Å
246	K	98.9	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.9	-169.6	-61.4	-173.1	-177	179.9	0	111.3	L68 E92 I244 W248 S263 F264 S266 Y267 F270	L68-K246 HydrophobicContact CB-CG 4.33Å; L68-K246 HydrophobicContact CD2-CD 4.16Å; L68-K246 HydrophobicContact CD2-CG 4.21Å; L68-K246 CarbonylContact O-C 3.41Å; L68-K246 WeakPolarHBondContact O-CA 3.48Å; E92-K246 IonicContact OE1-NZ 3.54Å; E92-K246 PolarHBondContact OE1-NZ 2.77Å; I244-K246 HydrophobicContact CB-CG 4.46Å; I244-K246 HydrophobicContact CG2-CG 3.85Å; K246-W248 HydrophobicContact CD-CZ2 4.27Å; K246-S263 VanDerWaalsContact O-CA 3.31Å; K246-S263 WeakPolarHBondContact O-CA 3.35Å; K246-F264 HydrophobicContact CB-CD1 4.3Å; K246-F264 HydrophobicContact CB-CD2 4.45Å; K246-F264 HydrophobicContact CB-CE1 3.86Å; K246-F264 HydrophobicContact CB-CE2 4.04Å; K246-F264 HydrophobicContact CB-CZ 3.71Å; K246-F264 HydrophobicContact CD-CE2 3.85Å; K246-F264 HydrophobicContact CD-CZ 3.82Å; K246-F264 HydrophobicContact CG-CE2 4.37Å; K246-F264 HydrophobicContact CG-CZ 4.33Å; K246-F264 PolarHBondContact N-O 2.78Å; K246-F264 PolarHBondContact O-N 3.33Å; K246-S266 VanDerWaalsContact CE-OG 3.29Å; K246-S266 WeakPolarHBondContact CE-OG 3.34Å; K246-S266 PolarHBondContact NZ-OG 3.32Å; K246-Y267 WeakPolarHBondContact CE-O 3.38Å; K246-Y267 PolarHBondContact NZ-O 3.42Å; K246-F270 PolarHBondContact NZ-O 3.14Å
247	H	98.8	Very high	97.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.2	165.9	-48.8	-85.5	0	0	0	109.2	L68 E69 V70 Y245 L262 S263 P533 F536	L68-H247 PolarHBondContact O-N 2.84Å; E69-H247 VanDerWaalsContact CA-O 3.29Å; E69-H247 WeakPolarHBondContact CA-O 3.27Å; E69-H247 HydrophobicContact CG-CB 3.91Å; E69-H247 IonicContact OE1-CD2 3.55Å; V70-H247 PolarHBondContact N-O 2.93Å; Y245-H247 AromaticContact CD1-CE1 3.71Å; Y245-H247 AromaticContact CD1-NE2 3.57Å; Y245-H247 AromaticContact CE1-CE1 3.56Å; Y245-H247 AromaticContact CE1-NE2 3.91Å; H247-L262 CarbonylContact C-O 3.54Å; H247-L262 WeakPolarHBondContact CA-O 3.45Å; H247-S263 WeakPolarHBondContact ND1-CB 3.24Å; H247-S263 PolarHBondContact ND1-OG 2.63Å; H247-P533 HydrophobicContact CB-CB 4.05Å; H247-F536 HydrophobicContact CB-CE1 3.85Å; H247-F536 HydrophobicContact CB-CZ 4.15Å
248	W	98.8	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.2	177	-66.4	-20.1	0	0	0	109.8	V70 E92 K246 F250 K261 L262 F264 L271 R314	V70-W248 WeakPolarHBondContact O-CA 3.44Å; E92-W248 VanDerWaalsContact OE2-CE2 3.3Å; E92-W248 WeakPolarHBondContact OE2-CZ2 3.34Å; E92-W248 PolarHBondContact OE2-NE1 3.12Å; K246-W248 HydrophobicContact CD-CZ2 4.27Å; W248-F250 HydrophobicContact CB-CD1 4.46Å; W248-F250 HydrophobicContact CB-CE1 3.82Å; W248-F250 HydrophobicContact CB-CE2 4.19Å; W248-F250 HydrophobicContact CB-CZ 3.66Å; W248-F250 HydrophobicContact CD2-CE2 4.09Å; W248-F250 AromaticContact CD2-CZ 3.72Å; W248-F250 HydrophobicContact CD2-CZ 3.72Å; W248-F250 AromaticContact CE3-CE2 3.99Å; W248-F250 HydrophobicContact CE3-CE2 3.99Å; W248-F250 HydrophobicContact CE3-CZ 4.1Å; W248-F250 HydrophobicContact CG-CE1 4.04Å; W248-F250 HydrophobicContact CG-CE2 4.23Å; W248-F250 AromaticContact CG-CZ 3.54Å; W248-F250 HydrophobicContact CG-CZ 3.54Å; W248-K261 CarbonylContact O-C 3.56Å; W248-K261 VanDerWaalsContact O-CA 3.26Å; W248-K261 WeakPolarHBondContact O-CA 3.48Å; W248-L262 HydrophobicContact CB-CB 4.44Å; W248-L262 HydrophobicContact CE3-CD1 3.68Å; W248-L262 HydrophobicContact CZ3-CD1 4.17Å; W248-L262 PolarHBondContact N-O 3.28Å; W248-L262 PolarHBondContact O-N 2.94Å; W248-F264 AromaticContact CD2-CE1 3.81Å; W248-F264 HydrophobicContact CD2-CE1 3.81Å; W248-F264 AromaticContact CD2-CZ 3.92Å; W248-F264 HydrophobicContact CD2-CZ 3.92Å; W248-F264 AromaticContact CE2-CZ 3.82Å; W248-F264 AromaticContact CE3-CE1 3.72Å; W248-F264 HydrophobicContact CE3-CE1 3.72Å; W248-F264 AromaticContact CE3-CZ 3.84Å; W248-F264 HydrophobicContact CE3-CZ 3.84Å; W248-F264 HydrophobicContact CG-CE1 4.37Å; W248-F264 HydrophobicContact CH2-CE1 4.35Å; W248-F264 AromaticContact CH2-CZ 3.62Å; W248-F264 HydrophobicContact CH2-CZ 3.62Å; W248-F264 HydrophobicContact CZ2-CE1 4.44Å; W248-F264 AromaticContact CZ2-CZ 3.7Å; W248-F264 HydrophobicContact CZ2-CZ 3.7Å; W248-F264 AromaticContact CZ3-CE1 3.98Å; W248-F264 HydrophobicContact CZ3-CE1 3.98Å; W248-F264 AromaticContact CZ3-CZ 3.67Å; W248-F264 HydrophobicContact CZ3-CZ 3.67Å; W248-L271 HydrophobicContact CH2-CB 4.12Å; W248-L271 HydrophobicContact CH2-CD2 4.08Å; W248-L271 HydrophobicContact CZ2-CD2 4.01Å; W248-R314 VanDerWaalsContact CZ3-CZ 3.45Å
249	D	98.3	Very high	97.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	97.9	169.3	172.9	25	0	0	0	109.4	V70 R71 A72 Y74 K261 F536	V70-D249 PolarHBondContact O-N 3.16Å; R71-D249 VanDerWaalsContact CA-O 3.29Å; R71-D249 WeakPolarHBondContact CA-O 3.05Å; R71-D249 WeakPolarHBondContact CD-OD2 3.26Å; R71-D249 HydrophobicContact CG-CB 4.22Å; R71-D249 IonicContact CZ-OD2 2.74Å; R71-D249 IonicContact NE-OD2 3.56Å; R71-D249 PolarHBondContact NE-OD2 3.42Å; R71-D249 IonicContact NH2-OD2 2.73Å; A72-D249 PolarHBondContact N-O 2.69Å; Y74-D249 VanDerWaalsContact CE2-OD2 3.28Å; Y74-D249 WeakPolarHBondContact CE2-OD2 3.38Å; Y74-D249 VanDerWaalsContact OH-CG 3.25Å; Y74-D249 PolarHBondContact OH-OD1 2.73Å; Y74-D249 PolarHBondContact OH-OD2 3.04Å; Y74-D249 VanDerWaalsContact OH-OD2 3.11Å; D249-K261 HydrophobicContact CB-CG 4.33Å; D249-K261 WeakPolarHBondContact OD1-CG 3.41Å; D249-F536 HydrophobicContact CB-CB 4.11Å; D249-F536 HydrophobicContact CB-CD1 3.41Å; D249-F536 VanDerWaalsContact CB-CD1 3.41Å; D249-F536 HydrophobicContact CB-CD2 4.4Å; D249-F536 HydrophobicContact CB-CE1 3.8Å; D249-F536 HydrophobicContact CB-CG 3.73Å; D249-F536 HydrophobicContact CB-CZ 4.45Å; D249-F536 WeakPolarHBondContact OD2-CB 3.38Å
250	F	98	Very high	97.7	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.035	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.7	177.7	-53.4	-22.5	0	0	0	109.4	V70 A72 F85 A88 W248 I252 G260	V70-F250 HydrophobicContact CB-CE1 4.19Å; V70-F250 HydrophobicContact CG1-CE1 3.92Å; A72-F250 HydrophobicContact CB-CD1 3.89Å; A72-F250 HydrophobicContact CB-CE1 4.42Å; F85-F250 HydrophobicContact CD1-CD2 4.46Å; F85-F250 HydrophobicContact CE1-CD2 4.1Å; F85-F250 HydrophobicContact CE1-CE2 4.43Å; F85-F250 HydrophobicContact CE2-CD2 4.39Å; F85-F250 HydrophobicContact CZ-CD2 4.07Å; A88-F250 HydrophobicContact CB-CD1 4.07Å; A88-F250 HydrophobicContact CB-CE1 3.54Å; A88-F250 HydrophobicContact CB-CE2 4.19Å; A88-F250 HydrophobicContact CB-CZ 3.61Å; W248-F250 HydrophobicContact CB-CD1 4.46Å; W248-F250 HydrophobicContact CB-CE1 3.82Å; W248-F250 HydrophobicContact CB-CE2 4.19Å; W248-F250 HydrophobicContact CB-CZ 3.66Å; W248-F250 HydrophobicContact CD2-CE2 4.09Å; W248-F250 AromaticContact CD2-CZ 3.72Å; W248-F250 HydrophobicContact CD2-CZ 3.72Å; W248-F250 AromaticContact CE3-CE2 3.99Å; W248-F250 HydrophobicContact CE3-CE2 3.99Å; W248-F250 HydrophobicContact CE3-CZ 4.1Å; W248-F250 HydrophobicContact CG-CE1 4.04Å; W248-F250 HydrophobicContact CG-CE2 4.23Å; W248-F250 AromaticContact CG-CZ 3.54Å; W248-F250 HydrophobicContact CG-CZ 3.54Å; F250-I252 HydrophobicContact CB-CD1 4.39Å; F250-I252 HydrophobicContact CB-CG1 4.17Å; F250-I252 PolarHBondContact O-N 2.74Å; F250-G260 PolarHBondContact N-O 3.02Å
251	H	96.4	Very high	97.8	Very high	86 Å²	86	25.8 Å²	25.8	40%	0.398	14%	0.144	S	C	.	.			trans	-77.5	114.5	169.3	-168.7	62.3	0	0	0	109.3	A72 Y74	A72-H251 PolarHBondContact O-N 2.96Å; Y74-H251 HydrophobicContact CD1-CB 4.14Å; Y74-H251 HydrophobicContact CD2-CB 4.01Å; Y74-H251 HydrophobicContact CE1-CB 3.87Å; Y74-H251 HydrophobicContact CE2-CB 3.75Å; Y74-H251 HydrophobicContact CG-CB 4.21Å
252	I	96.2	Very high	97.8	Very high	24 Å²	24	26 Å²	26	12%	0.123	15%	0.146	C	C	.	.			trans	-119.3	129.5	-175.5	-51.4	175	0	0	0	107.9	D81 F85 F151 F250 E254 T257	D81-I252 HydrophobicContact CB-CG2 4.33Å; D81-I252 WeakPolarHBondContact OD2-CG2 3.32Å; F85-I252 HydrophobicContact CE2-CD1 3.53Å; F85-I252 HydrophobicContact CE2-CG1 3.82Å; F85-I252 HydrophobicContact CZ-CD1 3.59Å; F85-I252 HydrophobicContact CZ-CG1 4.38Å; F151-I252 HydrophobicContact CE2-CG2 4.1Å; F250-I252 HydrophobicContact CB-CD1 4.39Å; F250-I252 HydrophobicContact CB-CG1 4.17Å; F250-I252 PolarHBondContact O-N 2.74Å; I252-E254 HydrophobicContact CG2-CB 3.97Å; I252-T257 HydrophobicContact CB-CG2 4.05Å; I252-T257 HydrophobicContact CD1-CG2 3.88Å; I252-T257 HydrophobicContact CG2-CG2 4.15Å; I252-T257 VanDerWaalsContact CG2-OG1 3.25Å; I252-T257 WeakPolarHBondContact CG2-OG1 3.48Å
253	T	96.1	Very high	97.8	Very high	84 Å²	84	26 Å²	26	52%	0.515	15%	0.145	S	C	.	.			trans	-95.3	-12.8	-177.5	59.5	0	0	0	0	113.3	D81 P255	D81-T253 PolarHBondContact OD1-N 2.92Å; D81-T253 PolarHBondContact OD1-OG1 3.44Å; D81-T253 PolarHBondContact OD2-N 3.48Å; D81-T253 PolarHBondContact OD2-OG1 3.08Å; T253-P255 WeakPolarHBondContact O-CD 3.33Å
254	E	96.3	Very high	97.8	Very high	10 Å²	10	26 Å²	26	5%	0.047	15%	0.145	C	C	.	.			trans	-58.1	118.8	174.2	-143.7	-61.4	142.6	0	0	111.6	D81 R147 F151 I252 H256 T257	D81-E254 WeakPolarHBondContact OD2-CB 3.26Å; D81-E254 PolarHBondContact OD2-N 2.83Å; R147-E254 WeakPolarHBondContact CD-OE1 3.38Å; R147-E254 HydrophobicContact CG-CG 4.06Å; R147-E254 IonicContact CZ-OE1 3.92Å; R147-E254 IonicContact NE-OE1 2.77Å; R147-E254 IonicContact NH1-OE1 2.66Å; R147-E254 PolarHBondContact NH1-OE1 3.1Å; F151-E254 HydrophobicContact CE2-CB 4.08Å; F151-E254 HydrophobicContact CE2-CG 4.27Å; F151-E254 HydrophobicContact CZ-CB 4.19Å; F151-E254 HydrophobicContact CZ-CG 4.16Å; I252-E254 HydrophobicContact CG2-CB 3.97Å; E254-H256 VanDerWaalsContact C-N 3.29Å; E254-H256 PolarHBondContact O-N 2.88Å; E254-H256 IonicContact OE1-ND1 3.93Å; E254-H256 PolarHBondContact OE1-ND1 2.92Å; E254-H256 WeakPolarHBondContact OE2-CA 3.33Å; E254-H256 VanDerWaalsContact OE2-CB 3.27Å; E254-H256 WeakPolarHBondContact OE2-CB 3.24Å; E254-H256 IonicContact OE2-CG 3.06Å; E254-H256 PolarHBondContact OE2-N 2.85Å; E254-H256 IonicContact OE2-ND1 2.73Å; E254-H256 PolarHBondContact OE2-ND1 3.47Å; E254-T257 VanDerWaalsContact O-CB 3.23Å; E254-T257 WeakPolarHBondContact O-CB 3.4Å; E254-T257 PolarHBondContact O-N 2.8Å; E254-T257 PolarHBondContact O-OG1 2.88Å
255	P	96.5	Very high	97.8	Very high	110 Å²	110	26 Å²	26	71%	0.714	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.8	-167.7	24.2	-35.5	0	0	0	116	T253 T257	T253-P255 WeakPolarHBondContact O-CD 3.33Å; P255-T257 VanDerWaalsContact C-N 3.31Å
256	H	96.9	Very high	97.8	Very high	101 Å²	101	26 Å²	26	47%	0.468	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2	176.2	-51	87.6	0	0	0	112.4	P144 E254 A258 L319	P144-H256 HydrophobicContact CB-CB 3.97Å; P144-H256 HydrophobicContact CG-CB 4.2Å; E254-H256 VanDerWaalsContact C-N 3.29Å; E254-H256 PolarHBondContact O-N 2.88Å; E254-H256 IonicContact OE1-ND1 3.93Å; E254-H256 PolarHBondContact OE1-ND1 2.92Å; E254-H256 WeakPolarHBondContact OE2-CA 3.33Å; E254-H256 VanDerWaalsContact OE2-CB 3.27Å; E254-H256 WeakPolarHBondContact OE2-CB 3.24Å; E254-H256 IonicContact OE2-CG 3.06Å; E254-H256 PolarHBondContact OE2-N 2.85Å; E254-H256 IonicContact OE2-ND1 2.73Å; E254-H256 PolarHBondContact OE2-ND1 3.47Å; H256-A258 PolarHBondContact O-N 3.1Å; H256-L319 HydrophobicContact CB-CD2 4.24Å; H256-L319 WeakPolarHBondContact O-CD2 3.29Å
257	T	98.1	Very high	97.8	Very high	27 Å²	27	26 Å²	26	17%	0.166	15%	0.145	C	C	.	.			trans	-67.7	122	177.7	-58	0	0	0	0	110.4	H148 I252 E254 P255 S318	H148-T257 PolarHBondContact CE1-OG1 2.97Å; H148-T257 PolarHBondContact NE2-OG1 2.85Å; I252-T257 HydrophobicContact CB-CG2 4.05Å; I252-T257 HydrophobicContact CD1-CG2 3.88Å; I252-T257 HydrophobicContact CG2-CG2 4.15Å; I252-T257 VanDerWaalsContact CG2-OG1 3.25Å; I252-T257 WeakPolarHBondContact CG2-OG1 3.48Å; E254-T257 VanDerWaalsContact O-CB 3.23Å; E254-T257 WeakPolarHBondContact O-CB 3.4Å; E254-T257 PolarHBondContact O-N 2.8Å; E254-T257 PolarHBondContact O-OG1 2.88Å; P255-T257 VanDerWaalsContact C-N 3.31Å; T257-S318 CarbonylContact C-O 3.59Å
258	A	98.2	Very high	97.8	Very high	19 Å²	19	26 Å²	26	16%	0.157	15%	0.145	C	C	.	.			trans	-76.7	-43.9	170.6	0	0	0	0	0	111.8	H256 S318 A320 H321	H256-A258 PolarHBondContact O-N 3.1Å; A258-S318 PolarHBondContact N-O 3.36Å; A258-A320 VanDerWaalsContact CB-O 3.29Å; A258-A320 WeakPolarHBondContact CB-O 3.4Å; A258-H321 VanDerWaalsContact CA-CE1 3.43Å; A258-H321 WeakPolarHBondContact CA-CE1 3.38Å
259	T	97.6	Very high	97.8	Very high	14 Å²	14	26 Å²	26	9%	0.086	15%	0.145	C	C	.	.			trans	-160.4	147.3	175.1	-166	0	0	0	0	113.3	K261 L280 G281	T259-K261 PolarHBondContact OG1-N 3.1Å; T259-K261 PolarHBondContact OG1-O 3.22Å; T259-L280 HydrophobicContact CG2-CB 4.4Å; T259-G281 VanDerWaalsContact OG1-CA 3.28Å; T259-G281 WeakPolarHBondContact OG1-CA 3.35Å
260	G	97.1	Very high	97.8	Very high	11 Å²	11	26 Å²	26	11%	0.113	15%	0.145	C	C	.	.	S	Bend	trans	-106.9	4.4	162.9	0	0	0	0	0	113.3	F250	F250-G260 PolarHBondContact N-O 3.02Å
261	K	98	Very high	97.8	Very high	45 Å²	45	25.6 Å²	25.6	20%	0.196	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.4	-179.4	-65	-171.4	-175.4	-174.6	0	111.3	W248 D249 T259 G281 F490 F536 E537 P538	W248-K261 CarbonylContact O-C 3.56Å; W248-K261 VanDerWaalsContact O-CA 3.26Å; W248-K261 WeakPolarHBondContact O-CA 3.48Å; D249-K261 HydrophobicContact CB-CG 4.33Å; D249-K261 WeakPolarHBondContact OD1-CG 3.41Å; T259-K261 PolarHBondContact OG1-N 3.1Å; T259-K261 PolarHBondContact OG1-O 3.22Å; K261-G281 PolarHBondContact O-N 3.02Å; K261-F490 HydrophobicContact CB-CE1 4.12Å; K261-F490 HydrophobicContact CB-CE2 4.5Å; K261-F490 HydrophobicContact CB-CZ 3.66Å; K261-F490 HydrophobicContact CD-CE2 4.34Å; K261-F490 HydrophobicContact CD-CZ 4.23Å; K261-F536 HydrophobicContact CD-CD2 4.19Å; K261-F536 HydrophobicContact CD-CE2 4.27Å; K261-E537 PolarHBondContact NZ-O 3.49Å; K261-P538 PolarHBondContact NZ-OXT 3.27Å
262	L	98.2	Very high	97.9	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.9	-173	-59.4	165.7	0	0	0	110.1	H247 W248 F264 L280 H317	H247-L262 CarbonylContact C-O 3.54Å; H247-L262 WeakPolarHBondContact CA-O 3.45Å; W248-L262 HydrophobicContact CB-CB 4.44Å; W248-L262 HydrophobicContact CE3-CD1 3.68Å; W248-L262 HydrophobicContact CZ3-CD1 4.17Å; W248-L262 PolarHBondContact N-O 3.28Å; W248-L262 PolarHBondContact O-N 2.94Å; L262-F264 HydrophobicContact CB-CD1 4.01Å; L262-F264 HydrophobicContact CB-CE1 4.04Å; L262-L280 HydrophobicContact CD2-CD2 3.16Å; L262-L280 HydrophobicContact CD2-CG 4.42Å; L262-H317 HydrophobicContact CD2-CB 4.15Å
263	S	98.9	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.8	167.2	-65.3	0	0	0	0	111.1	K246 H247 L279 F490	K246-S263 VanDerWaalsContact O-CA 3.31Å; K246-S263 WeakPolarHBondContact O-CA 3.35Å; H247-S263 WeakPolarHBondContact ND1-CB 3.24Å; H247-S263 PolarHBondContact ND1-OG 2.63Å; S263-L279 PolarHBondContact N-O 3.23Å; S263-L279 PolarHBondContact O-N 2.96Å; S263-F490 WeakPolarHBondContact OG-CB 3.38Å; S263-F490 WeakPolarHBondContact OG-CD1 3.27Å
264	F	98.9	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	149.7	-167.5	59.5	-77.7	0	0	0	113.2	K246 W248 L262 F277 Y278	K246-F264 HydrophobicContact CB-CD1 4.3Å; K246-F264 HydrophobicContact CB-CD2 4.45Å; K246-F264 HydrophobicContact CB-CE1 3.86Å; K246-F264 HydrophobicContact CB-CE2 4.04Å; K246-F264 HydrophobicContact CB-CZ 3.71Å; K246-F264 HydrophobicContact CD-CE2 3.85Å; K246-F264 HydrophobicContact CD-CZ 3.82Å; K246-F264 HydrophobicContact CG-CE2 4.37Å; K246-F264 HydrophobicContact CG-CZ 4.33Å; K246-F264 PolarHBondContact N-O 2.78Å; K246-F264 PolarHBondContact O-N 3.33Å; W248-F264 AromaticContact CD2-CE1 3.81Å; W248-F264 HydrophobicContact CD2-CE1 3.81Å; W248-F264 AromaticContact CD2-CZ 3.92Å; W248-F264 HydrophobicContact CD2-CZ 3.92Å; W248-F264 AromaticContact CE2-CZ 3.82Å; W248-F264 AromaticContact CE3-CE1 3.72Å; W248-F264 HydrophobicContact CE3-CE1 3.72Å; W248-F264 AromaticContact CE3-CZ 3.84Å; W248-F264 HydrophobicContact CE3-CZ 3.84Å; W248-F264 HydrophobicContact CG-CE1 4.37Å; W248-F264 HydrophobicContact CH2-CE1 4.35Å; W248-F264 AromaticContact CH2-CZ 3.62Å; W248-F264 HydrophobicContact CH2-CZ 3.62Å; W248-F264 HydrophobicContact CZ2-CE1 4.44Å; W248-F264 AromaticContact CZ2-CZ 3.7Å; W248-F264 HydrophobicContact CZ2-CZ 3.7Å; W248-F264 AromaticContact CZ3-CE1 3.98Å; W248-F264 HydrophobicContact CZ3-CE1 3.98Å; W248-F264 AromaticContact CZ3-CZ 3.67Å; W248-F264 HydrophobicContact CZ3-CZ 3.67Å; L262-F264 HydrophobicContact CB-CD1 4.01Å; L262-F264 HydrophobicContact CB-CE1 4.04Å; F264-F277 VanDerWaalsContact CA-O 3.25Å; F264-F277 WeakPolarHBondContact CA-O 3.45Å; F264-F277 WeakPolarHBondContact CB-O 3.26Å; F264-Y278 HydrophobicContact CB-CD1 3.42Å; F264-Y278 VanDerWaalsContact CB-CD1 3.42Å; F264-Y278 HydrophobicContact CB-CE1 3.58Å; F264-Y278 HydrophobicContact CB-CG 3.94Å; F264-Y278 AromaticContact CD1-CD1 3.98Å; F264-Y278 HydrophobicContact CD1-CD1 3.98Å; F264-Y278 AromaticContact CD1-CE1 3.73Å; F264-Y278 HydrophobicContact CD1-CE1 3.73Å; F264-Y278 HydrophobicContact CD2-CD1 4.42Å; F264-Y278 AromaticContact CD2-CE1 3.69Å; F264-Y278 HydrophobicContact CD2-CE1 3.69Å; F264-Y278 HydrophobicContact CE1-CE1 4.33Å; F264-Y278 HydrophobicContact CE2-CE1 4.28Å; F264-Y278 AromaticContact CG-CD1 3.71Å; F264-Y278 HydrophobicContact CG-CD1 3.71Å; F264-Y278 AromaticContact CG-CE1 3.39Å; F264-Y278 HydrophobicContact CG-CE1 3.39Å
265	S	98.9	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141	169.1	52	0	0	0	0	110.2	S273 D275 K480	S265-S273 WeakPolarHBondContact O-CA 3.19Å; S265-S273 WeakPolarHBondContact O-CB 3.23Å; S265-S273 PolarHBondContact O-OG 3.26Å; S265-D275 VanDerWaalsContact CB-OD2 3.23Å; S265-D275 WeakPolarHBondContact CB-OD2 3.11Å; S265-D275 PolarHBondContact OG-OD2 2.86Å; S265-K480 WeakPolarHBondContact OG-CD 3.48Å; S265-K480 VanDerWaalsContact OG-CE 3.26Å; S265-K480 WeakPolarHBondContact OG-CE 3.29Å
266	S	98.9	Very high	98.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-162.9	-173.9	-171.9	0	0	0	0	111.4	R243 I244 K246 F270 V272	R243-S266 PolarHBondContact NE-O 2.85Å; I244-S266 PolarHBondContact N-O 2.98Å; I244-S266 VanDerWaalsContact N-O 3.1Å; I244-S266 CarbonylContact O-C 3.57Å; I244-S266 VanDerWaalsContact O-CA 3.3Å; I244-S266 WeakPolarHBondContact O-CA 3.46Å; I244-S266 WeakPolarHBondContact O-CB 3.3Å; I244-S266 PolarHBondContact O-N 3.36Å; I244-S266 VanDerWaalsContact O-O 3.1Å; K246-S266 VanDerWaalsContact CE-OG 3.29Å; K246-S266 WeakPolarHBondContact CE-OG 3.34Å; K246-S266 PolarHBondContact NZ-OG 3.32Å; S266-F270 PolarHBondContact OG-O 3Å; S266-V272 PolarHBondContact OG-O 2.83Å
267	Y	98.9	Very high	98.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.			trans	-137.8	158.5	-174.9	-55.4	-88.4	0	0	0	109.8	H103 A240 R243 K246 G269 F270 S273 L274 D275 Y477	H103-Y267 AromaticContact CE1-CD1 3.68Å; H103-Y267 AromaticContact NE2-CD1 3.84Å; H103-Y267 AromaticContact NE2-CG 3.98Å; A240-Y267 HydrophobicContact CB-CE1 4.18Å; A240-Y267 WeakPolarHBondContact O-CD1 3.33Å; A240-Y267 WeakPolarHBondContact O-CE1 3.46Å; R243-Y267 VanDerWaalsContact NE-CE1 3.29Å; R243-Y267 PolarHBondContact NE-OH 3.32Å; R243-Y267 PolarHBondContact NH2-OH 2.95Å; K246-Y267 WeakPolarHBondContact CE-O 3.38Å; K246-Y267 PolarHBondContact NZ-O 3.42Å; Y267-G269 PolarHBondContact O-N 3.4Å; Y267-F270 AromaticContact CD2-CD2 3.89Å; Y267-F270 HydrophobicContact CD2-CD2 3.89Å; Y267-F270 HydrophobicContact CD2-CE2 4.06Å; Y267-F270 HydrophobicContact CD2-CG 4.26Å; Y267-F270 HydrophobicContact CG-CD1 4.49Å; Y267-F270 HydrophobicContact CG-CD2 4.37Å; Y267-F270 HydrophobicContact CG-CE1 4.49Å; Y267-F270 HydrophobicContact CG-CE2 4.39Å; Y267-F270 HydrophobicContact CG-CG 4.41Å; Y267-F270 HydrophobicContact CG-CZ 4.42Å; Y267-F270 PolarHBondContact O-N 3.05Å; Y267-S273 WeakPolarHBondContact CD2-O 3.3Å; Y267-S273 WeakPolarHBondContact CE2-O 3.34Å; Y267-L274 HydrophobicContact CD2-CB 4.15Å; Y267-L274 HydrophobicContact CD2-CD2 4.28Å; Y267-L274 HydrophobicContact CE2-CB 3.85Å; Y267-L274 HydrophobicContact CE2-CD2 3.84Å; Y267-L274 HydrophobicContact CE2-CG 4.35Å; Y267-D275 PolarHBondContact OH-OD1 3.29Å; Y267-Y477 VanDerWaalsContact OH-CE2 3.29Å; Y267-Y477 WeakPolarHBondContact OH-CE2 3.44Å; Y267-Y477 VanDerWaalsContact OH-CZ 3.31Å; Y267-Y477 PolarHBondContact OH-OH 3.43Å
268	P	98.7	Very high	98.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	124.8	175	-21.4	30	0	0	0	112.2	Q99 M100 H103 M242 I244 F270	Q99-P268 VanDerWaalsContact C-CB 3.43Å; Q99-P268 HydrophobicContact CB-CB 3.72Å; Q99-P268 HydrophobicContact CB-CG 3.55Å; M100-P268 HydrophobicContact CB-CB 4.44Å; M100-P268 HydrophobicContact CG-CB 3.91Å; H103-P268 HydrophobicContact CB-CB 4.35Å; H103-P268 HydrophobicContact CB-CG 4.13Å; M242-P268 HydrophobicContact CB-CG 4.44Å; M242-P268 HydrophobicContact CG-CG 3.71Å; M242-P268 WeakPolarHBondContact O-CD 3.48Å; M242-P268 HydrophobicContact SD-CG 3.88Å; I244-P268 HydrophobicContact CD1-CB 3.95Å; I244-P268 HydrophobicContact CD1-CG 3.8Å; I244-P268 HydrophobicContact CG1-CG 3.92Å; P268-F270 VanDerWaalsContact C-N 3.26Å; P268-F270 WeakPolarHBondContact O-CD1 3.45Å; P268-F270 PolarHBondContact O-N 2.92Å
269	G	98.1	Very high	98.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-2.2	177.9	0	0	0	0	0	115.9	L159 N184 Y267	L159-G269 WeakPolarHBondContact CD2-O 3.43Å; N184-G269 PolarHBondContact ND2-O 3.22Å; Y267-G269 PolarHBondContact O-N 3.4Å
270	F	98.8	Very high	98.4	Very high	1 Å²	1	4.5 Å²	4.5	0%	0.004	2%	0.024	C	C	.	.			trans	-86	113.8	176.3	-76.7	51.7	0	0	0	109.7	H103 L183 V186 K246 S266 Y267 P268 V272 L274	H103-F270 AromaticContact CD2-CE1 3.6Å; H103-F270 AromaticContact NE2-CE1 3.44Å; H103-F270 WeakPolarHBondContact NE2-CE1 3.29Å; H103-F270 AromaticContact NE2-CZ 3.73Å; L183-F270 HydrophobicContact CB-CD1 3.86Å; L183-F270 HydrophobicContact CB-CE1 3.68Å; L183-F270 HydrophobicContact CD2-CE1 3.85Å; L183-F270 HydrophobicContact CG-CE1 4.3Å; L183-F270 WeakPolarHBondContact O-CD2 3.45Å; L183-F270 VanDerWaalsContact O-CE1 3.29Å; L183-F270 WeakPolarHBondContact O-CE1 3.4Å; L183-F270 WeakPolarHBondContact O-CE2 3.15Å; L183-F270 WeakPolarHBondContact O-CZ 3.27Å; V186-F270 HydrophobicContact CB-CE2 3.91Å; V186-F270 HydrophobicContact CB-CZ 3.89Å; V186-F270 HydrophobicContact CG1-CE2 4.45Å; V186-F270 HydrophobicContact CG1-CZ 4.42Å; V186-F270 HydrophobicContact CG2-CE2 4.16Å; V186-F270 HydrophobicContact CG2-CZ 3.63Å; K246-F270 PolarHBondContact NZ-O 3.14Å; S266-F270 PolarHBondContact OG-O 3Å; Y267-F270 AromaticContact CD2-CD2 3.89Å; Y267-F270 HydrophobicContact CD2-CD2 3.89Å; Y267-F270 HydrophobicContact CD2-CE2 4.06Å; Y267-F270 HydrophobicContact CD2-CG 4.26Å; Y267-F270 HydrophobicContact CG-CD1 4.49Å; Y267-F270 HydrophobicContact CG-CD2 4.37Å; Y267-F270 HydrophobicContact CG-CE1 4.49Å; Y267-F270 HydrophobicContact CG-CE2 4.39Å; Y267-F270 HydrophobicContact CG-CG 4.41Å; Y267-F270 HydrophobicContact CG-CZ 4.42Å; Y267-F270 PolarHBondContact O-N 3.05Å; P268-F270 VanDerWaalsContact C-N 3.26Å; P268-F270 WeakPolarHBondContact O-CD1 3.45Å; P268-F270 PolarHBondContact O-N 2.92Å; F270-V272 HydrophobicContact CB-CG1 4.43Å; F270-V272 WeakPolarHBondContact CB-O 3.22Å; F270-V272 HydrophobicContact CD2-CG1 4.22Å; F270-V272 PolarHBondContact O-N 3.07Å; F270-L274 HydrophobicContact CD2-CB 4.05Å; F270-L274 HydrophobicContact CE2-CB 4.02Å; F270-L274 HydrophobicContact CE2-CD2 3.85Å; F270-L274 HydrophobicContact CE2-CG 4.35Å
271	L	98.9	Very high	98.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-80.1	26.4	171.5	-56.5	-178.3	0	0	0	111.9	Q155 L156 L159 N184 W248 W310 R314	Q155-L271 HydrophobicContact CB-CD1 4.05Å; Q155-L271 HydrophobicContact CG-CD1 3.77Å; Q155-L271 HydrophobicContact CG-CD2 4.13Å; L156-L271 HydrophobicContact CB-CD1 4.23Å; L156-L271 HydrophobicContact CD1-CD1 4.04Å; L159-L271 HydrophobicContact CD1-CD2 4.29Å; L159-L271 HydrophobicContact CD2-CD1 4.25Å; L159-L271 HydrophobicContact CD2-CD2 4.08Å; L159-L271 HydrophobicContact CD2-CG 3.97Å; N184-L271 WeakPolarHBondContact OD1-CA 3.15Å; N184-L271 WeakPolarHBondContact OD1-CB 3.49Å; N184-L271 PolarHBondContact OD1-N 2.84Å; W248-L271 HydrophobicContact CH2-CB 4.12Å; W248-L271 HydrophobicContact CH2-CD2 4.08Å; W248-L271 HydrophobicContact CZ2-CD2 4.01Å; L271-W310 HydrophobicContact CB-CZ3 4.47Å; L271-R314 VanDerWaalsContact O-CD 3.24Å; L271-R314 WeakPolarHBondContact O-CD 3.24Å; L271-R314 WeakPolarHBondContact O-CG 3.3Å; L271-R314 PolarHBondContact O-NH1 2.92Å
272	V	98.7	Very high	98.4	Very high	6 Å²	6	4.9 Å²	4.9	4%	0.036	4%	0.037	C	C	.	.	S	Bend	trans	-152.5	166.2	-178.1	69.3	0	0	0	0	108.7	S266 F270 Y278 W310 V313	S266-V272 PolarHBondContact OG-O 2.83Å; F270-V272 HydrophobicContact CB-CG1 4.43Å; F270-V272 WeakPolarHBondContact CB-O 3.22Å; F270-V272 HydrophobicContact CD2-CG1 4.22Å; F270-V272 PolarHBondContact O-N 3.07Å; V272-Y278 VanDerWaalsContact CA-OH 3.29Å; V272-Y278 WeakPolarHBondContact CA-OH 3.49Å; V272-Y278 WeakPolarHBondContact CG2-OH 3.22Å; V272-W310 HydrophobicContact CB-CB 4.06Å; V272-W310 HydrophobicContact CG1-CB 3.91Å; V272-W310 HydrophobicContact CG2-CB 4.02Å; V272-V313 HydrophobicContact CG2-CG1 4.44Å
273	S	98.8	Very high	98.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	5%	0.047	C	C	.	.			trans	-78.7	-37.9	179.5	177.8	0	0	0	0	111.2	S265 Y267 D275 D276 F277 Y278	S265-S273 WeakPolarHBondContact O-CA 3.19Å; S265-S273 WeakPolarHBondContact O-CB 3.23Å; S265-S273 PolarHBondContact O-OG 3.26Å; Y267-S273 WeakPolarHBondContact CD2-O 3.3Å; Y267-S273 WeakPolarHBondContact CE2-O 3.34Å; S273-D275 PolarHBondContact O-N 2.86Å; S273-D276 VanDerWaalsContact CB-OD1 3.22Å; S273-D276 WeakPolarHBondContact CB-OD1 3.37Å; S273-D276 WeakPolarHBondContact OG-CA 3.29Å; S273-F277 PolarHBondContact OG-N 3.34Å; S273-F277 VanDerWaalsContact OG-N 3.16Å; S273-Y278 VanDerWaalsContact CB-CZ 3.42Å; S273-Y278 PolarHBondContact N-OH 2.7Å
274	L	97.5	Very high	98.4	Very high	11 Å²	11	5.8 Å²	5.8	6%	0.058	5%	0.047	C	C	.	.	S	Bend	trans	63.3	-37.5	-164.3	178.7	81.6	0	0	0	112.5	V186 Y267 F270 D276 Y338	V186-L274 HydrophobicContact CB-CD1 4.38Å; V186-L274 HydrophobicContact CG1-CD1 4.1Å; V186-L274 HydrophobicContact CG1-CD2 3.9Å; Y267-L274 HydrophobicContact CD2-CB 4.15Å; Y267-L274 HydrophobicContact CD2-CD2 4.28Å; Y267-L274 HydrophobicContact CE2-CB 3.85Å; Y267-L274 HydrophobicContact CE2-CD2 3.84Å; Y267-L274 HydrophobicContact CE2-CG 4.35Å; F270-L274 HydrophobicContact CD2-CB 4.05Å; F270-L274 HydrophobicContact CE2-CB 4.02Å; F270-L274 HydrophobicContact CE2-CD2 3.85Å; F270-L274 HydrophobicContact CE2-CG 4.35Å; L274-D276 WeakPolarHBondContact CA-OD1 3.42Å; L274-D276 PolarHBondContact N-OD1 3.11Å; L274-Y338 HydrophobicContact CD1-CE1 3.73Å; L274-Y338 WeakPolarHBondContact CD1-OH 3.14Å; L274-Y338 PolarHBondContact O-OH 3.44Å
275	D	97.5	Very high	98.4	Very high	3 Å²	3	5.8 Å²	5.8	2%	0.016	5%	0.047	C	C	.	.	S	Bend	trans	-52.1	-64.2	-172.7	-70.7	-24.2	0	0	0	114.7	C215 H232 S234 R243 S265 Y267 S273 Q288 K480	C215-D275 PolarHBondContact SG-O 3.05Å; H232-D275 VanDerWaalsContact CE1-C 3.49Å; H232-D275 PolarHBondContact CE1-O 2.82Å; H232-D275 PolarHBondContact NE2-O 3.02Å; S234-D275 WeakPolarHBondContact OG-CB 3.43Å; S234-D275 PolarHBondContact OG-OD1 3.46Å; R243-D275 IonicContact CZ-OD2 2.7Å; R243-D275 VanDerWaalsContact NH2-CG 3.31Å; R243-D275 IonicContact NH2-OD1 3.42Å; R243-D275 PolarHBondContact NH2-OD1 2.95Å; R243-D275 IonicContact NH2-OD2 2.76Å; R243-D275 PolarHBondContact NH2-OD2 3.3Å; S265-D275 VanDerWaalsContact CB-OD2 3.23Å; S265-D275 WeakPolarHBondContact CB-OD2 3.11Å; S265-D275 PolarHBondContact OG-OD2 2.86Å; Y267-D275 PolarHBondContact OH-OD1 3.29Å; S273-D275 PolarHBondContact O-N 2.86Å; D275-Q288 PolarHBondContact O-NE2 3.15Å; D275-Q288 PolarHBondContact O-OE1 3.4Å; D275-K480 VanDerWaalsContact CB-NZ 3.34Å; D275-K480 IonicContact OD1-NZ 2.93Å; D275-K480 IonicContact OD2-NZ 2.65Å; D275-K480 PolarHBondContact OD2-NZ 3.28Å
276	D	96.8	Very high	98.4	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.011	5%	0.047	C	C	.	.			cis	-113.8	143	6.7	-74	-47.7	0	0	0	108.8	S273 L274 Y278 M286 T287 Q288	S273-D276 VanDerWaalsContact CB-OD1 3.22Å; S273-D276 WeakPolarHBondContact CB-OD1 3.37Å; S273-D276 WeakPolarHBondContact OG-CA 3.29Å; L274-D276 WeakPolarHBondContact CA-OD1 3.42Å; L274-D276 PolarHBondContact N-OD1 3.11Å; D276-Y278 HydrophobicContact CB-CD2 4.1Å; D276-Y278 HydrophobicContact CB-CE2 3.91Å; D276-M286 HydrophobicContact CB-CE 3.99Å; D276-M286 HydrophobicContact CB-SD 4.3Å; D276-T287 WeakPolarHBondContact O-CA 3.41Å; D276-T287 VanDerWaalsContact O-CB 3.27Å; D276-T287 WeakPolarHBondContact O-CB 3.38Å; D276-T287 PolarHBondContact O-OG1 3.46Å; D276-Q288 VanDerWaalsContact CA-OE1 3.32Å; D276-Q288 PolarHBondContact OD2-OE1 3.01Å; D276-Q288 VanDerWaalsContact OD2-OE1 3.1Å
277	F	98.9	Very high	98.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	120	171.6	177.9	-80.2	0	0	0	109.5	F230 H232 F264 S273 L279 M286 K480 T482 A492	F230-F277 AromaticContact CD1-CD2 3.98Å; F230-F277 HydrophobicContact CD1-CD2 3.98Å; F230-F277 AromaticContact CD1-CE2 3.39Å; F230-F277 HydrophobicContact CD1-CE2 3.39Å; F230-F277 HydrophobicContact CD1-CZ 4.02Å; F230-F277 AromaticContact CE1-CD2 3.66Å; F230-F277 HydrophobicContact CE1-CD2 3.66Å; F230-F277 AromaticContact CE1-CE2 3.56Å; F230-F277 HydrophobicContact CE1-CE2 3.56Å; F230-F277 HydrophobicContact CE1-CZ 4.28Å; H232-F277 HydrophobicContact CB-CB 4.44Å; H232-F277 HydrophobicContact CB-CD2 4.02Å; F264-F277 VanDerWaalsContact CA-O 3.25Å; F264-F277 WeakPolarHBondContact CA-O 3.45Å; F264-F277 WeakPolarHBondContact CB-O 3.26Å; S273-F277 PolarHBondContact OG-N 3.34Å; S273-F277 VanDerWaalsContact OG-N 3.16Å; F277-L279 HydrophobicContact CE1-CD1 4.43Å; F277-L279 HydrophobicContact CE1-CD2 4.05Å; F277-L279 HydrophobicContact CE1-CG 4.06Å; F277-L279 HydrophobicContact CZ-CD2 4.17Å; F277-M286 CarbonylContact C-O 3.59Å; F277-M286 WeakPolarHBondContact CA-O 3.15Å; F277-K480 HydrophobicContact CB-CB 4.42Å; F277-K480 HydrophobicContact CD1-CB 4.06Å; F277-K480 HydrophobicContact CD1-CG 4.41Å; F277-K480 HydrophobicContact CD2-CB 3.71Å; F277-K480 HydrophobicContact CE1-CB 4.24Å; F277-K480 HydrophobicContact CE2-CB 3.85Å; F277-K480 HydrophobicContact CG-CB 3.81Å; F277-K480 HydrophobicContact CG-CG 4.29Å; F277-K480 HydrophobicContact CZ-CB 4.13Å; F277-T482 HydrophobicContact CE2-CG2 4.49Å; F277-T482 HydrophobicContact CZ-CG2 3.89Å; F277-A492 HydrophobicContact CE1-CB 3.91Å; F277-A492 HydrophobicContact CZ-CB 4.08Å
278	Y	98.9	Very high	98.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.4	-174.2	-75.8	-90.3	0	0	0	113.2	F264 V272 S273 D276 L280 M285 M286 V313 H317	F264-Y278 HydrophobicContact CB-CD1 3.42Å; F264-Y278 VanDerWaalsContact CB-CD1 3.42Å; F264-Y278 HydrophobicContact CB-CE1 3.58Å; F264-Y278 HydrophobicContact CB-CG 3.94Å; F264-Y278 AromaticContact CD1-CD1 3.98Å; F264-Y278 HydrophobicContact CD1-CD1 3.98Å; F264-Y278 AromaticContact CD1-CE1 3.73Å; F264-Y278 HydrophobicContact CD1-CE1 3.73Å; F264-Y278 HydrophobicContact CD2-CD1 4.42Å; F264-Y278 AromaticContact CD2-CE1 3.69Å; F264-Y278 HydrophobicContact CD2-CE1 3.69Å; F264-Y278 HydrophobicContact CE1-CE1 4.33Å; F264-Y278 HydrophobicContact CE2-CE1 4.28Å; F264-Y278 AromaticContact CG-CD1 3.71Å; F264-Y278 HydrophobicContact CG-CD1 3.71Å; F264-Y278 AromaticContact CG-CE1 3.39Å; F264-Y278 HydrophobicContact CG-CE1 3.39Å; V272-Y278 VanDerWaalsContact CA-OH 3.29Å; V272-Y278 WeakPolarHBondContact CA-OH 3.49Å; V272-Y278 WeakPolarHBondContact CG2-OH 3.22Å; S273-Y278 VanDerWaalsContact CB-CZ 3.42Å; S273-Y278 PolarHBondContact N-OH 2.7Å; D276-Y278 HydrophobicContact CB-CD2 4.1Å; D276-Y278 HydrophobicContact CB-CE2 3.91Å; Y278-L280 HydrophobicContact CD1-CD2 4.01Å; Y278-L280 HydrophobicContact CG-CD2 4.25Å; Y278-M285 WeakPolarHBondContact O-CA 3.33Å; Y278-M286 HydrophobicContact CD2-CE 3.35Å; Y278-M286 HydrophobicContact CE2-CE 3.66Å; Y278-M286 HydrophobicContact CG-CE 4.25Å; Y278-M286 PolarHBondContact N-O 2.92Å; Y278-M286 PolarHBondContact O-N 3.05Å; Y278-V313 HydrophobicContact CE2-CG1 4.37Å; Y278-H317 AromaticContact CD1-CE1 3.64Å; Y278-H317 AromaticContact CD1-ND1 3.87Å; Y278-H317 AromaticContact CD2-CE1 3.53Å; Y278-H317 AromaticContact CE1-CE1 3.69Å; Y278-H317 AromaticContact CE1-ND1 3.77Å; Y278-H317 AromaticContact CE2-CE1 3.52Å; Y278-H317 AromaticContact CG-CE1 3.54Å; Y278-H317 AromaticContact CZ-CE1 3.59Å; Y278-H317 AromaticContact CZ-ND1 3.98Å
279	L	98.9	Very high	98.4	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.01	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.4	163.2	-48.2	178.1	0	0	0	107.4	S263 F277 M285 T482 A487 F490 V491	S263-L279 PolarHBondContact N-O 3.23Å; S263-L279 PolarHBondContact O-N 2.96Å; F277-L279 HydrophobicContact CE1-CD1 4.43Å; F277-L279 HydrophobicContact CE1-CD2 4.05Å; F277-L279 HydrophobicContact CE1-CG 4.06Å; F277-L279 HydrophobicContact CZ-CD2 4.17Å; L279-M285 HydrophobicContact CD2-CG 3.95Å; L279-M285 HydrophobicContact CD2-SD 4.25Å; L279-T482 HydrophobicContact CD2-CG2 3.87Å; L279-A487 HydrophobicContact CD2-CB 3.99Å; L279-F490 HydrophobicContact CB-CD1 4.11Å; L279-V491 WeakPolarHBondContact CD1-O 3.28Å
280	L	98.7	Very high	98.2	Very high	8 Å²	8	5.9 Å²	5.9	4%	0.042	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.6	-171.6	-48.8	179.7	0	0	0	110	T259 L262 Y278 S282 G283 L284 H317	T259-L280 HydrophobicContact CG2-CB 4.4Å; L262-L280 HydrophobicContact CD2-CD2 3.16Å; L262-L280 HydrophobicContact CD2-CG 4.42Å; Y278-L280 HydrophobicContact CD1-CD2 4.01Å; Y278-L280 HydrophobicContact CG-CD2 4.25Å; L280-S282 PolarHBondContact O-N 3.29Å; L280-S282 VanDerWaalsContact O-N 3.09Å; L280-G283 PolarHBondContact O-N 2.89Å; L280-L284 HydrophobicContact CB-CB 4.24Å; L280-L284 VanDerWaalsContact CB-O 3.25Å; L280-L284 WeakPolarHBondContact CB-O 3.44Å; L280-L284 HydrophobicContact CD1-CB 3.8Å; L280-L284 HydrophobicContact CG-CB 4.36Å; L280-L284 WeakPolarHBondContact CG-O 3.37Å; L280-L284 PolarHBondContact N-O 3.23Å; L280-H317 HydrophobicContact CD1-CB 4.24Å; L280-H317 WeakPolarHBondContact CD1-CD2 3.27Å; L280-H317 HydrophobicContact CD2-CB 4.07Å
281	G	97.7	Very high	97.9	Very high	36 Å²	36	5.9 Å²	5.9	37%	0.371	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.5	177.7	0	0	0	0	0	115	T259 K261 G283 F490	T259-G281 VanDerWaalsContact OG1-CA 3.28Å; T259-G281 WeakPolarHBondContact OG1-CA 3.35Å; K261-G281 PolarHBondContact O-N 3.02Å; G281-G283 PolarHBondContact O-N 3.03Å; G281-F490 VanDerWaalsContact CA-CZ 3.43Å
282	S	97.9	Very high	97.5	Very high	28 Å²	28	6 Å²	6	20%	0.196	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.9	167.3	55.2	0	0	0	0	113.1	L280 L284 A320	L280-S282 PolarHBondContact O-N 3.29Å; L280-S282 VanDerWaalsContact O-N 3.09Å; S282-L284 VanDerWaalsContact C-N 3.35Å; S282-A320 PolarHBondContact OG-O 2.75Å
283	G	97.9	Very high	97.2	Very high	23 Å²	23	6 Å²	6	24%	0.237	5%	0.048	C	C	.	.	S	Bend	trans	86.1	6.6	-174.2	0	0	0	0	0	113.7	L280 G281 R347	L280-G283 PolarHBondContact O-N 2.89Å; G281-G283 PolarHBondContact O-N 3.03Å; G283-R347 VanDerWaalsContact O-CB 3.26Å; G283-R347 WeakPolarHBondContact O-CB 3.42Å; G283-R347 WeakPolarHBondContact O-CD 3.47Å; G283-R347 VanDerWaalsContact O-CG 3.28Å; G283-R347 WeakPolarHBondContact O-CG 3.28Å; G283-R347 PolarHBondContact O-N 2.9Å
284	L	98.9	Very high	96.8	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	142.3	174.6	-63.4	-174.9	0	0	0	110.9	L280 S282 A320 V344 V345 D346	L280-L284 HydrophobicContact CB-CB 4.24Å; L280-L284 VanDerWaalsContact CB-O 3.25Å; L280-L284 WeakPolarHBondContact CB-O 3.44Å; L280-L284 HydrophobicContact CD1-CB 3.8Å; L280-L284 HydrophobicContact CG-CB 4.36Å; L280-L284 WeakPolarHBondContact CG-O 3.37Å; L280-L284 PolarHBondContact N-O 3.23Å; S282-L284 VanDerWaalsContact C-N 3.35Å; L284-A320 HydrophobicContact CD1-CB 4.2Å; L284-V344 HydrophobicContact CB-CG1 4.42Å; L284-V344 HydrophobicContact CD1-CG1 4.11Å; L284-V344 HydrophobicContact CD2-CG1 4.24Å; L284-V344 HydrophobicContact CG-CG1 4.49Å; L284-V345 CarbonylContact C-O 3.59Å; L284-V345 WeakPolarHBondContact CA-O 3.42Å; L284-D346 HydrophobicContact CD2-CB 3.7Å
285	M	98.8	Very high	96.6	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.7	164.6	-57	176.7	-65.7	0	0	108.5	L228 F230 Y278 L279 V344 V345 R347 T482 A487	L228-M285 HydrophobicContact CD2-CE 3.81Å; F230-M285 HydrophobicContact CB-SD 4.46Å; F230-M285 HydrophobicContact CD2-CB 4.5Å; F230-M285 HydrophobicContact CE1-CB 4.27Å; F230-M285 HydrophobicContact CE2-CB 4.25Å; F230-M285 HydrophobicContact CG-SD 4.46Å; F230-M285 HydrophobicContact CZ-CB 4.12Å; Y278-M285 WeakPolarHBondContact O-CA 3.33Å; L279-M285 HydrophobicContact CD2-CG 3.95Å; L279-M285 HydrophobicContact CD2-SD 4.25Å; M285-V344 WeakPolarHBondContact O-CA 3.49Å; M285-V345 HydrophobicContact CB-CB 4.32Å; M285-V345 HydrophobicContact CE-CB 3.84Å; M285-V345 HydrophobicContact CE-CG1 3.52Å; M285-V345 PolarHBondContact N-O 3.43Å; M285-V345 PolarHBondContact O-N 2.88Å; M285-R347 HydrophobicContact CE-CG 3.81Å; M285-R347 HydrophobicContact CG-CG 4.39Å; M285-R347 HydrophobicContact SD-CG 4.35Å; M285-T482 HydrophobicContact SD-CG2 4.22Å; M285-A487 HydrophobicContact CG-CB 4.19Å; M285-A487 HydrophobicContact SD-CB 3.38Å; M285-A487 WeakPolarHBondContact SD-CB 3.49Å
286	M	98.8	Very high	96.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.8	-177	-171.4	-76.2	-73.4	0	0	111.2	D276 F277 Y278 V313 H317 W326 Y342 M343 V344	D276-M286 HydrophobicContact CB-CE 3.99Å; D276-M286 HydrophobicContact CB-SD 4.3Å; F277-M286 CarbonylContact C-O 3.59Å; F277-M286 WeakPolarHBondContact CA-O 3.15Å; Y278-M286 HydrophobicContact CD2-CE 3.35Å; Y278-M286 HydrophobicContact CE2-CE 3.66Å; Y278-M286 HydrophobicContact CG-CE 4.25Å; Y278-M286 PolarHBondContact N-O 2.92Å; Y278-M286 PolarHBondContact O-N 3.05Å; M286-V313 HydrophobicContact CE-CG1 3.74Å; M286-H317 WeakPolarHBondContact CE-CE1 3.47Å; M286-H317 WeakPolarHBondContact CE-NE2 3.08Å; M286-W326 HydrophobicContact CE-CZ2 4.31Å; M286-W326 HydrophobicContact CG-CZ2 4.05Å; M286-W326 HydrophobicContact SD-CZ2 4.45Å; M286-Y342 HydrophobicContact SD-CD1 3.88Å; M286-M343 WeakPolarHBondContact CA-O 3.43Å; M286-V344 HydrophobicContact CG-CG2 4.05Å
287	T	98.8	Very high	96	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.9	168.6	-169.6	0	0	0	0	110.4	A217 F230 H232 D276 Y342 M343	A217-T287 HydrophobicContact CB-CG2 4.09Å; F230-T287 HydrophobicContact CE1-CG2 4.19Å; F230-T287 HydrophobicContact CE2-CG2 3.69Å; F230-T287 VanDerWaalsContact CZ-CB 3.43Å; F230-T287 HydrophobicContact CZ-CG2 3.36Å; H232-T287 WeakPolarHBondContact CB-OG1 3.42Å; H232-T287 PolarHBondContact CD2-OG1 2.84Å; D276-T287 WeakPolarHBondContact O-CA 3.41Å; D276-T287 VanDerWaalsContact O-CB 3.27Å; D276-T287 WeakPolarHBondContact O-CB 3.38Å; D276-T287 PolarHBondContact O-OG1 3.46Å; T287-Y342 CarbonylContact O-C 3.48Å; T287-Y342 WeakPolarHBondContact O-CA 3.12Å; T287-M343 HydrophobicContact CG2-CB 4.24Å; T287-M343 HydrophobicContact CG2-CE 3.8Å; T287-M343 HydrophobicContact CG2-SD 4.2Å; T287-M343 PolarHBondContact N-O 3.33Å; T287-M343 VanDerWaalsContact N-O 3.12Å; T287-M343 PolarHBondContact O-N 3.17Å
288	Q	98.4	Very high	95.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.8	175.8	120.5	-66.7	-35.4	0	0	112.4	H232 D275 D276 T290 N340 Q341 Y342	H232-Q288 PolarHBondContact CD2-O 2.71Å; H232-Q288 VanDerWaalsContact CD2-O 3.23Å; H232-Q288 PolarHBondContact NE2-O 2.84Å; D275-Q288 PolarHBondContact O-NE2 3.15Å; D275-Q288 PolarHBondContact O-OE1 3.4Å; D276-Q288 VanDerWaalsContact CA-OE1 3.32Å; D276-Q288 PolarHBondContact OD2-OE1 3.01Å; D276-Q288 VanDerWaalsContact OD2-OE1 3.1Å; Q288-T290 PolarHBondContact NE2-OG1 3.27Å; Q288-N340 HydrophobicContact CB-CB 4.31Å; Q288-N340 HydrophobicContact CG-CB 3.44Å; Q288-N340 VanDerWaalsContact CG-CB 3.44Å; Q288-N340 WeakPolarHBondContact CG-ND2 3.26Å; Q288-Q341 CarbonylContact C-O 3.5Å; Q288-Q341 WeakPolarHBondContact CA-O 3.25Å; Q288-Q341 VanDerWaalsContact CB-O 3.25Å; Q288-Q341 WeakPolarHBondContact CB-O 3.09Å; Q288-Y342 HydrophobicContact CB-CD1 3.42Å; Q288-Y342 VanDerWaalsContact CB-CD1 3.42Å; Q288-Y342 HydrophobicContact CB-CE1 3.83Å; Q288-Y342 HydrophobicContact CB-CG 3.99Å; Q288-Y342 HydrophobicContact CG-CD1 4.09Å; Q288-Y342 HydrophobicContact CG-CE1 3.98Å
289	T	97.9	Very high	95.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.1	156.9	77.1	0	0	0	0	110	C215 A217 Q341 M343 S387 N389	C215-T289 HydrophobicContact CB-CG2 3.57Å; A217-T289 HydrophobicContact CB-CG2 3.94Å; T289-Q341 PolarHBondContact N-O 2.95Å; T289-Q341 PolarHBondContact O-N 3.11Å; T289-M343 HydrophobicContact CG2-CE 4.4Å; T289-S387 WeakPolarHBondContact CG2-OG 3.09Å; T289-S387 PolarHBondContact OG1-OG 2.95Å; T289-N389 PolarHBondContact OG1-N 3.17Å; T289-N389 VanDerWaalsContact OG1-N 3.15Å
290	T	94.7	Very high	95.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.4	-175.8	-49.6	0	0	0	0	112.5	H214 Q288 Y338 N339 N340 N389	H214-T290 VanDerWaalsContact CD2-CB 3.47Å; H214-T290 WeakPolarHBondContact CD2-CB 3.48Å; Q288-T290 PolarHBondContact NE2-OG1 3.27Å; T290-Y338 HydrophobicContact CG2-CD2 3.99Å; T290-Y338 HydrophobicContact CG2-CE2 3.97Å; T290-Y338 WeakPolarHBondContact OG1-CE2 3.22Å; T290-N339 VanDerWaalsContact CG2-O 3.31Å; T290-N339 WeakPolarHBondContact CG2-O 3.27Å; T290-N340 WeakPolarHBondContact CA-OD1 3.48Å; T290-N340 WeakPolarHBondContact CB-OD1 3.47Å; T290-N340 VanDerWaalsContact CG2-OD1 3.31Å; T290-N340 WeakPolarHBondContact CG2-OD1 3.49Å; T290-N340 PolarHBondContact OG1-OD1 2.89Å; T290-N389 PolarHBondContact N-ND2 3.16Å; T290-N389 VanDerWaalsContact O-CA 3.29Å; T290-N389 WeakPolarHBondContact O-CA 3.45Å; T290-N389 WeakPolarHBondContact O-CB 3.37Å; T290-N389 VanDerWaalsContact O-CG 3.31Å; T290-N389 PolarHBondContact O-ND2 2.88Å
291	N	93.3	Very high	95.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-89.8	151.6	169.5	-69.9	-32.5	0	0	0	109.5	N339 I390 P391	N291-N339 CarbonylContact C-O 3.06Å; N291-N339 PolarHBondContact N-O 2.67Å; N291-I390 VanDerWaalsContact OD1-C 3.3Å; N291-I390 PolarHBondContact OD1-N 3.28Å; N291-P391 HydrophobicContact CB-CG 3.99Å
292	N	90	Very high	95.2	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-86.4	158	171.4	-75.3	-58.9	0	0	0	110.5	G211 F294 Y402	G211-N292 PolarHBondContact O-ND2 3.24Å; N292-F294 HydrophobicContact CB-CD2 4.33Å; N292-F294 HydrophobicContact CB-CE1 3.89Å; N292-F294 HydrophobicContact CB-CE2 3.68Å; N292-F294 HydrophobicContact CB-CZ 3.41Å; N292-F294 VanDerWaalsContact CB-CZ 3.41Å; N292-Y402 PolarHBondContact N-OH 2.92Å; N292-Y402 VanDerWaalsContact O-CE2 3.29Å; N292-Y402 WeakPolarHBondContact O-CE2 3.44Å
293	V	91.7	Very high	95.2	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	18%	0.177	C	C	.	.			trans	-120.3	104.1	167	-178.5	0	0	0	0	107.1	L298 F299 N339 I367	V293-L298 HydrophobicContact CG1-CB 4.23Å; V293-L298 HydrophobicContact CG1-CD1 3.85Å; V293-F299 HydrophobicContact CB-CE1 3.85Å; V293-F299 HydrophobicContact CB-CZ 4.1Å; V293-F299 HydrophobicContact CG1-CE1 3.86Å; V293-F299 HydrophobicContact CG1-CZ 4.3Å; V293-N339 HydrophobicContact CG2-CB 3.92Å; V293-I367 HydrophobicContact CG2-CB 4.44Å; V293-I367 HydrophobicContact CG2-CG2 4.01Å
294	F	91.6	Very high	95.2	Very high	34 Å²	34	30.9 Å²	30.9	15%	0.149	17%	0.174	C	C	.	.			trans	-86	-30.3	179.4	-57.9	-71.1	0	0	0	111.8	F207 N292 S296 S400 Y402 M405 F413	F207-F294 HydrophobicContact CD1-CD1 4.05Å; F207-F294 HydrophobicContact CD1-CE1 4.19Å; F207-F294 HydrophobicContact CE1-CD1 4.39Å; N292-F294 HydrophobicContact CB-CD2 4.33Å; N292-F294 HydrophobicContact CB-CE1 3.89Å; N292-F294 HydrophobicContact CB-CE2 3.68Å; N292-F294 HydrophobicContact CB-CZ 3.41Å; N292-F294 VanDerWaalsContact CB-CZ 3.41Å; F294-S296 PolarHBondContact O-N 2.92Å; F294-S400 WeakPolarHBondContact CA-O 3.44Å; F294-S400 WeakPolarHBondContact CB-O 3.37Å; F294-S400 PolarHBondContact N-O 2.83Å; F294-Y402 AromaticContact CD2-CD2 3.88Å; F294-Y402 HydrophobicContact CD2-CD2 3.88Å; F294-Y402 AromaticContact CD2-CE2 3.97Å; F294-Y402 HydrophobicContact CD2-CE2 3.97Å; F294-Y402 HydrophobicContact CD2-CG 4.22Å; F294-Y402 AromaticContact CE2-CD1 3.93Å; F294-Y402 HydrophobicContact CE2-CD1 3.93Å; F294-Y402 AromaticContact CE2-CD2 3.82Å; F294-Y402 HydrophobicContact CE2-CD2 3.82Å; F294-Y402 AromaticContact CE2-CE1 3.73Å; F294-Y402 HydrophobicContact CE2-CE1 3.73Å; F294-Y402 AromaticContact CE2-CE2 3.62Å; F294-Y402 HydrophobicContact CE2-CE2 3.62Å; F294-Y402 AromaticContact CE2-CG 3.98Å; F294-Y402 HydrophobicContact CE2-CG 3.98Å; F294-Y402 AromaticContact CE2-CZ 3.58Å; F294-Y402 HydrophobicContact CZ-CE1 4.5Å; F294-M405 HydrophobicContact CB-CG 4.02Å; F294-M405 HydrophobicContact CB-SD 4.36Å; F294-M405 HydrophobicContact CD1-CE 4.12Å; F294-M405 HydrophobicContact CD1-CG 3.94Å; F294-M405 HydrophobicContact CD1-SD 4.04Å; F294-M405 HydrophobicContact CD2-CG 3.59Å; F294-M405 HydrophobicContact CE1-CE 4.1Å; F294-M405 HydrophobicContact CE1-CG 4.32Å; F294-M405 HydrophobicContact CE2-CG 3.98Å; F294-M405 HydrophobicContact CG-CG 3.56Å; F294-M405 HydrophobicContact CG-SD 4.12Å; F294-M405 HydrophobicContact CZ-CG 4.34Å; F294-F413 HydrophobicContact CE1-CE1 4.05Å; F294-F413 HydrophobicContact CE2-CD1 4.04Å; F294-F413 HydrophobicContact CE2-CE1 4.04Å; F294-F413 AromaticContact CZ-CD1 3.97Å; F294-F413 HydrophobicContact CZ-CD1 3.97Å; F294-F413 AromaticContact CZ-CE1 3.52Å; F294-F413 HydrophobicContact CZ-CE1 3.52Å
295	N	92.5	Very high	95.2	Very high	54 Å²	54	35.3 Å²	35.3	29%	0.289	20%	0.198	S	C	.	.			trans	-73.2	91.5	172.6	-175.4	3.7	0	0	0	110.9	S297 L298 L399 S400	N295-S297 PolarHBondContact O-N 2.86Å; N295-S297 PolarHBondContact OD1-N 3.06Å; N295-S297 PolarHBondContact OD1-OG 3.34Å; N295-L298 HydrophobicContact CB-CD1 4.24Å; N295-L298 HydrophobicContact CB-CG 4.35Å; N295-L298 WeakPolarHBondContact O-CB 3.42Å; N295-L298 PolarHBondContact O-N 3.14Å; N295-L399 VanDerWaalsContact CB-O 3.25Å; N295-L399 WeakPolarHBondContact CB-O 3.36Å; N295-L399 PolarHBondContact ND2-O 3.14Å; N295-S400 PolarHBondContact N-O 2.97Å
296	S	89.1	Confident	95.1	Very high	82 Å²	82	35.5 Å²	35.5	57%	0.573	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-65.1	-19.5	-176.4	62.3	0	0	0	0	114	F294 L298 F299	F294-S296 PolarHBondContact O-N 2.92Å; S296-L298 PolarHBondContact O-N 3.33Å; S296-F299 WeakPolarHBondContact O-CB 3.42Å; S296-F299 PolarHBondContact O-N 2.82Å
297	S	92.7	Very high	95.1	Very high	67 Å²	67	35.5 Å²	35.5	47%	0.469	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-64.1	-20.6	176.6	80.5	0	0	0	0	112.2	N295 F299 D300	N295-S297 PolarHBondContact O-N 2.86Å; N295-S297 PolarHBondContact OD1-N 3.06Å; N295-S297 PolarHBondContact OD1-OG 3.34Å; S297-F299 PolarHBondContact O-N 3.07Å; S297-D300 PolarHBondContact O-N 2.87Å
298	L	95	Very high	95.1	Very high	19 Å²	19	35.7 Å²	35.7	10%	0.099	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-67.8	-24.8	175	-66.7	178.4	0	0	0	112.3	V293 N295 S296 D300 Q301 I367 P368 L399	V293-L298 HydrophobicContact CG1-CB 4.23Å; V293-L298 HydrophobicContact CG1-CD1 3.85Å; N295-L298 HydrophobicContact CB-CD1 4.24Å; N295-L298 HydrophobicContact CB-CG 4.35Å; N295-L298 WeakPolarHBondContact O-CB 3.42Å; N295-L298 PolarHBondContact O-N 3.14Å; S296-L298 PolarHBondContact O-N 3.33Å; L298-D300 PolarHBondContact O-N 2.82Å; L298-Q301 WeakPolarHBondContact O-CB 3.41Å; L298-Q301 PolarHBondContact O-N 2.78Å; L298-Q301 VanDerWaalsContact O-N 3.16Å; L298-I367 HydrophobicContact CD1-CD1 4.07Å; L298-P368 HydrophobicContact CB-CB 4.03Å; L298-P368 HydrophobicContact CB-CG 3.95Å; L298-P368 WeakPolarHBondContact O-CB 3.42Å; L298-L399 WeakPolarHBondContact CD1-O 3.29Å
299	F	93.8	Very high	95.2	Very high	23 Å²	23	35.7 Å²	35.7	10%	0.101	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-68.1	-17.8	-179.4	-64.5	-21.7	0	0	0	113.7	P194 A195 V293 S296 S297 Q301 I302 P368	P194-F299 HydrophobicContact CB-CE2 4.4Å; P194-F299 HydrophobicContact CG-CE2 4.44Å; A195-F299 HydrophobicContact CB-CB 3.77Å; A195-F299 HydrophobicContact CB-CD2 4.26Å; A195-F299 HydrophobicContact CB-CG 4.04Å; V293-F299 HydrophobicContact CB-CE1 3.85Å; V293-F299 HydrophobicContact CB-CZ 4.1Å; V293-F299 HydrophobicContact CG1-CE1 3.86Å; V293-F299 HydrophobicContact CG1-CZ 4.3Å; S296-F299 WeakPolarHBondContact O-CB 3.42Å; S296-F299 PolarHBondContact O-N 2.82Å; S297-F299 PolarHBondContact O-N 3.07Å; F299-Q301 PolarHBondContact O-N 3.06Å; F299-Q301 VanDerWaalsContact O-N 3.12Å; F299-I302 HydrophobicContact CB-CD1 4.17Å; F299-I302 HydrophobicContact CD1-CD1 3.73Å; F299-I302 HydrophobicContact CG-CD1 4.2Å; F299-I302 WeakPolarHBondContact O-CB 3.47Å; F299-I302 PolarHBondContact O-N 2.92Å; F299-P368 HydrophobicContact CD1-CG 4.02Å; F299-P368 HydrophobicContact CE1-CG 4.38Å
300	D	93.4	Very high	95.2	Very high	148 Å²	148	36.3 Å²	36.3	79%	0.791	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-62.4	-17.7	172.8	-67	-18.5	0	0	0	112.8	S297 L298	S297-D300 PolarHBondContact O-N 2.87Å; L298-D300 PolarHBondContact O-N 2.82Å
301	Q	95.9	Very high	95.4	Very high	101 Å²	101	36.6 Å²	36.6	47%	0.472	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-85	-10.6	176.7	-61	-179.3	77.9	0	0	113.3	L298 F299 T303 P368 G369	L298-Q301 WeakPolarHBondContact O-CB 3.41Å; L298-Q301 PolarHBondContact O-N 2.78Å; L298-Q301 VanDerWaalsContact O-N 3.16Å; F299-Q301 PolarHBondContact O-N 3.06Å; F299-Q301 VanDerWaalsContact O-N 3.12Å; Q301-T303 PolarHBondContact O-N 2.74Å; Q301-P368 HydrophobicContact CB-CB 4.29Å; Q301-P368 PolarHBondContact NE2-O 3.43Å; Q301-G369 VanDerWaalsContact OE1-CA 3.27Å
302	I	97.2	Very high	95.7	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.118	20%	0.204	C	C	.	.			trans	-73.3	123.2	-179.7	-63.6	173.7	0	0	0	109.1	F124 L192 A195 F299 T337 P368	F124-I302 HydrophobicContact CE2-CG2 3.95Å; F124-I302 HydrophobicContact CZ-CG2 3.83Å; L192-I302 HydrophobicContact CD1-CG2 3.79Å; A195-I302 HydrophobicContact CB-CD1 3.78Å; F299-I302 HydrophobicContact CB-CD1 4.17Å; F299-I302 HydrophobicContact CD1-CD1 3.73Å; F299-I302 HydrophobicContact CG-CD1 4.2Å; F299-I302 WeakPolarHBondContact O-CB 3.47Å; F299-I302 PolarHBondContact O-N 2.92Å; I302-T337 HydrophobicContact CD1-CG2 4.12Å; I302-T337 HydrophobicContact CG2-CG2 4.05Å; I302-P368 HydrophobicContact CG1-CB 4.49Å; I302-P368 HydrophobicContact CG1-CG 4.46Å
303	T	97.9	Very high	96.1	Very high	58 Å²	58	36.5 Å²	36.5	36%	0.356	20%	0.204	S	C	.	.			trans	-138.4	146.6	-176.4	177.4	0	0	0	0	111	F124 Q301 N305 S306	F124-T303 VanDerWaalsContact CZ-C 3.46Å; F124-T303 WeakPolarHBondContact CZ-O 3.39Å; Q301-T303 PolarHBondContact O-N 2.74Å; T303-N305 HydrophobicContact CG2-CB 4.45Å; T303-N305 PolarHBondContact O-N 2.91Å; T303-N305 VanDerWaalsContact O-N 3.17Å; T303-N305 PolarHBondContact OG1-N 2.83Å; T303-S306 PolarHBondContact O-OG 3.12Å
304	P	98.4	Very high	96.4	Very high	27 Å²	27	36.4 Å²	36.4	18%	0.175	20%	0.203	C	C	.	.	S	Bend	trans	-64.5	-14.2	173.5	27.6	-36.1	0	0	0	113	F124 K127 Q128 S306	F124-P304 HydrophobicContact CD2-CB 4.27Å; F124-P304 HydrophobicContact CE2-CB 4.17Å; F124-P304 HydrophobicContact CE2-CG 4.44Å; F124-P304 VanDerWaalsContact CE2-N 3.34Å; F124-P304 HydrophobicContact CZ-CB 4.3Å; K127-P304 HydrophobicContact CB-CB 3.72Å; K127-P304 HydrophobicContact CB-CG 4.07Å; K127-P304 HydrophobicContact CD-CG 4.42Å; Q128-P304 VanDerWaalsContact CA-O 3.32Å; Q128-P304 WeakPolarHBondContact CA-O 3.3Å; Q128-P304 HydrophobicContact CB-CB 4.08Å; Q128-P304 WeakPolarHBondContact CG-O 3.36Å; P304-S306 PolarHBondContact O-N 3.3Å
305	N	98.5	Very high	96.8	Very high	95 Å²	95	34.9 Å²	34.9	51%	0.508	20%	0.196	S	C	.	.	S	Bend	trans	-84.4	52.4	175.9	-65.9	6.1	0	0	0	111.6	W131 T303	W131-N305 HydrophobicContact CD2-CB 4.25Å; W131-N305 HydrophobicContact CG-CB 4.24Å; W131-N305 HydrophobicContact CZ2-CB 4.5Å; T303-N305 HydrophobicContact CG2-CB 4.45Å; T303-N305 PolarHBondContact O-N 2.91Å; T303-N305 VanDerWaalsContact O-N 3.17Å; T303-N305 PolarHBondContact OG1-N 2.83Å
306	S	98.5	Very high	97.1	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.028	18%	0.182	C	C	.	.	S	Bend	trans	-147.1	165	-178.3	64.2	0	0	0	0	110.4	Q128 W131 T303 P304 S335	Q128-S306 PolarHBondContact NE2-O 2.77Å; W131-S306 WeakPolarHBondContact CZ3-O 3.46Å; T303-S306 PolarHBondContact O-OG 3.12Å; P304-S306 PolarHBondContact O-N 3.3Å; S306-S335 WeakPolarHBondContact OG-CA 3.34Å; S306-S335 WeakPolarHBondContact OG-CB 3.02Å
307	L	98.8	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-94.1	125.5	171.2	-71.9	169.4	0	0	0	108.7	W131 V132 W146 Q311 R312 L315 H333 S335	W131-L307 HydrophobicContact CZ3-CD2 4.34Å; W131-L307 HydrophobicContact CZ3-CG 4.17Å; V132-L307 HydrophobicContact CG1-CD2 4.29Å; V132-L307 HydrophobicContact CG2-CD2 3.66Å; W146-L307 HydrophobicContact CH2-CD1 4.18Å; W146-L307 HydrophobicContact CH2-CD2 4.16Å; W146-L307 HydrophobicContact CH2-CG 4.17Å; W146-L307 HydrophobicContact CZ3-CD1 4.45Å; W146-L307 HydrophobicContact CZ3-CD2 4.03Å; W146-L307 HydrophobicContact CZ3-CG 4.49Å; L307-Q311 HydrophobicContact CB-CB 4.49Å; L307-Q311 HydrophobicContact CD2-CB 4.36Å; L307-R312 HydrophobicContact CB-CG 3.49Å; L307-R312 VanDerWaalsContact CB-CG 3.49Å; L307-R312 HydrophobicContact CD1-CG 4.29Å; L307-R312 WeakPolarHBondContact O-CD 3.29Å; L307-R312 PolarHBondContact O-NE 2.86Å; L307-L315 HydrophobicContact CD1-CD1 3.65Å; L307-H333 HydrophobicContact CB-CB 4.12Å; L307-H333 HydrophobicContact CD1-CB 4.01Å; L307-H333 HydrophobicContact CG-CB 3.99Å; L307-H333 PolarHBondContact N-O 2.66Å; L307-S335 VanDerWaalsContact O-CB 3.27Å; L307-S335 WeakPolarHBondContact O-CB 3.32Å; L307-S335 PolarHBondContact O-OG 3.19Å
308	L	98.8	Very high	97.8	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.134	C	C	.	.			trans	-59.9	154.6	174.7	-67.3	179.8	0	0	0	110.6	F124 Q128 A185 D188 W310 Q311 R312	F124-L308 HydrophobicContact CE1-CD2 4.44Å; Q128-L308 HydrophobicContact CG-CG 4.25Å; A185-L308 HydrophobicContact CB-CD1 4.15Å; D188-L308 HydrophobicContact CB-CD2 4.09Å; L308-W310 VanDerWaalsContact C-N 3.3Å; L308-W310 PolarHBondContact O-N 3.21Å; L308-Q311 HydrophobicContact CB-CG 4.48Å; L308-Q311 WeakPolarHBondContact O-CB 3.13Å; L308-Q311 PolarHBondContact O-N 3.49Å; L308-R312 PolarHBondContact O-N 3.36Å; L308-R312 VanDerWaalsContact O-N 3.1Å
309	S	98.6	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.2	-43.4	-175.4	-83.4	0	0	0	0	112.6	D188 Q311 R312 V313 T337	D188-S309 WeakPolarHBondContact OD1-CB 3.42Å; D188-S309 PolarHBondContact OD1-N 2.78Å; D188-S309 PolarHBondContact OD2-N 2.58Å; S309-Q311 PolarHBondContact O-N 2.72Å; S309-R312 PolarHBondContact O-N 2.9Å; S309-R312 VanDerWaalsContact O-N 3.1Å; S309-R312 PolarHBondContact OG-NH2 3.36Å; S309-V313 WeakPolarHBondContact O-CG2 3.37Å; S309-V313 PolarHBondContact O-N 3.07Å; S309-T337 PolarHBondContact OG-O 2.76Å
310	W	98.8	Very high	98.2	Very high	13 Å²	13	24.3 Å²	24.3	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-34.1	178.8	76.2	-93.3	0	0	0	112.9	I152 L156 N184 L271 V272 L308 R314	I152-W310 HydrophobicContact CG2-CE3 4.48Å; I152-W310 HydrophobicContact CG2-CH2 3.67Å; I152-W310 HydrophobicContact CG2-CZ3 3.45Å; I152-W310 VanDerWaalsContact CG2-CZ3 3.45Å; L156-W310 HydrophobicContact CD1-CH2 4.38Å; L156-W310 HydrophobicContact CD2-CH2 4.49Å; N184-W310 HydrophobicContact CB-CD2 4.11Å; N184-W310 HydrophobicContact CB-CE3 4.46Å; N184-W310 HydrophobicContact CB-CH2 4.48Å; N184-W310 HydrophobicContact CB-CZ2 4.12Å; N184-W310 VanDerWaalsContact O-CG 3.29Å; L271-W310 HydrophobicContact CB-CZ3 4.47Å; V272-W310 HydrophobicContact CB-CB 4.06Å; V272-W310 HydrophobicContact CG1-CB 3.91Å; V272-W310 HydrophobicContact CG2-CB 4.02Å; L308-W310 VanDerWaalsContact C-N 3.3Å; L308-W310 PolarHBondContact O-N 3.21Å; W310-R314 WeakPolarHBondContact O-CB 3.12Å; W310-R314 WeakPolarHBondContact O-CG 3.26Å; W310-R314 PolarHBondContact O-N 2.99Å
311	Q	98.9	Very high	98.5	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-69.9	-46.4	176.1	-60.8	172.2	-33.4	0	0	110	L307 L308 S309 V313 R314 L315	L307-Q311 HydrophobicContact CB-CB 4.49Å; L307-Q311 HydrophobicContact CD2-CB 4.36Å; L308-Q311 HydrophobicContact CB-CG 4.48Å; L308-Q311 WeakPolarHBondContact O-CB 3.13Å; L308-Q311 PolarHBondContact O-N 3.49Å; S309-Q311 PolarHBondContact O-N 2.72Å; Q311-V313 PolarHBondContact O-N 3.28Å; Q311-R314 PolarHBondContact O-N 3.23Å; Q311-L315 WeakPolarHBondContact O-CB 3.42Å; Q311-L315 VanDerWaalsContact O-CG 3.24Å; Q311-L315 WeakPolarHBondContact O-CG 3.34Å; Q311-L315 PolarHBondContact O-N 3.13Å
312	R	98.9	Very high	98.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-66.7	-37.2	-179.1	-66.2	-175.9	-68.5	110	-0.3	112.7	L307 L308 S309 L315 S316 F330 K332 S335	L307-R312 HydrophobicContact CB-CG 3.49Å; L307-R312 VanDerWaalsContact CB-CG 3.49Å; L307-R312 HydrophobicContact CD1-CG 4.29Å; L307-R312 WeakPolarHBondContact O-CD 3.29Å; L307-R312 PolarHBondContact O-NE 2.86Å; L308-R312 PolarHBondContact O-N 3.36Å; L308-R312 VanDerWaalsContact O-N 3.1Å; S309-R312 PolarHBondContact O-N 2.9Å; S309-R312 VanDerWaalsContact O-N 3.1Å; S309-R312 PolarHBondContact OG-NH2 3.36Å; R312-L315 PolarHBondContact O-N 3.38Å; R312-S316 WeakPolarHBondContact O-CB 3.17Å; R312-S316 PolarHBondContact O-N 3.27Å; R312-S316 PolarHBondContact O-OG 3.41Å; R312-F330 HydrophobicContact CB-CD2 3.87Å; R312-F330 HydrophobicContact CB-CE2 4.12Å; R312-F330 WeakPolarHBondContact CD-O 3.28Å; R312-F330 PolarHBondContact NH1-O 3.42Å; R312-K332 WeakPolarHBondContact CD-O 3.35Å; R312-S335 PolarHBondContact NH2-OG 3.49Å
313	V	98.9	Very high	98.7	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-50.4	171.5	168.1	0	0	0	0	110.3	V272 Y278 M286 S309 Q311 L315 S316 H317 W326 F330 Y342	V272-V313 HydrophobicContact CG2-CG1 4.44Å; Y278-V313 HydrophobicContact CE2-CG1 4.37Å; M286-V313 HydrophobicContact CE-CG1 3.74Å; S309-V313 WeakPolarHBondContact O-CG2 3.37Å; S309-V313 PolarHBondContact O-N 3.07Å; Q311-V313 PolarHBondContact O-N 3.28Å; V313-L315 PolarHBondContact O-N 2.93Å; V313-S316 PolarHBondContact O-N 2.95Å; V313-H317 WeakPolarHBondContact CG1-CE1 3.12Å; V313-H317 VanDerWaalsContact O-CG 3.3Å; V313-H317 PolarHBondContact O-N 3Å; V313-W326 HydrophobicContact CG2-CZ2 4.43Å; V313-F330 HydrophobicContact CG2-CD2 4.26Å; V313-F330 HydrophobicContact CG2-CE2 3.92Å; V313-Y342 HydrophobicContact CG2-CE1 3.74Å
314	R	98.9	Very high	98.7	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-39.1	178.4	-76.8	-67.3	-55.7	-72.5	-1.4	113.5	I152 W248 L271 W310 Q311 H317 S318	I152-R314 HydrophobicContact CD1-CB 3.58Å; I152-R314 HydrophobicContact CG1-CB 4.21Å; W248-R314 VanDerWaalsContact CZ3-CZ 3.45Å; L271-R314 VanDerWaalsContact O-CD 3.24Å; L271-R314 WeakPolarHBondContact O-CD 3.24Å; L271-R314 WeakPolarHBondContact O-CG 3.3Å; L271-R314 PolarHBondContact O-NH1 2.92Å; W310-R314 WeakPolarHBondContact O-CB 3.12Å; W310-R314 WeakPolarHBondContact O-CG 3.26Å; W310-R314 PolarHBondContact O-N 2.99Å; Q311-R314 PolarHBondContact O-N 3.23Å; R314-H317 PolarHBondContact O-N 3.19Å; R314-S318 PolarHBondContact O-N 2.91Å; R314-S318 VanDerWaalsContact O-N 3.11Å; R314-S318 PolarHBondContact O-OG 2.78Å
315	L	98.9	Very high	98.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-44.9	173.9	-71.9	169.1	0	0	0	111.2	L145 H148 A149 I152 L307 Q311 R312 V313 H317 S318 L319 I329	L145-L315 HydrophobicContact CD1-CB 4.21Å; L145-L315 HydrophobicContact CD1-CD1 3.92Å; L145-L315 HydrophobicContact CD1-CD2 4.44Å; L145-L315 HydrophobicContact CD1-CG 4.42Å; L145-L315 HydrophobicContact CG-CD1 4.25Å; L145-L315 WeakPolarHBondContact O-CD2 3.15Å; H148-L315 HydrophobicContact CB-CD2 3.61Å; A149-L315 HydrophobicContact CB-CD2 4.18Å; I152-L315 HydrophobicContact CD1-CD2 3.73Å; I152-L315 HydrophobicContact CD1-CG 3.72Å; L307-L315 HydrophobicContact CD1-CD1 3.65Å; Q311-L315 WeakPolarHBondContact O-CB 3.42Å; Q311-L315 VanDerWaalsContact O-CG 3.24Å; Q311-L315 WeakPolarHBondContact O-CG 3.34Å; Q311-L315 PolarHBondContact O-N 3.13Å; R312-L315 PolarHBondContact O-N 3.38Å; V313-L315 PolarHBondContact O-N 2.93Å; L315-H317 PolarHBondContact O-N 3.02Å; L315-S318 PolarHBondContact O-N 2.65Å; L315-L319 WeakPolarHBondContact O-CB 3.18Å; L315-L319 PolarHBondContact O-N 2.73Å; L315-L319 VanDerWaalsContact O-N 3.14Å; L315-I329 HydrophobicContact CB-CG2 4.27Å
316	S	98.9	Very high	98.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-40.4	179.6	-52.4	0	0	0	0	111.6	R312 V313 S318 L319 A320 W326 F330	R312-S316 WeakPolarHBondContact O-CB 3.17Å; R312-S316 PolarHBondContact O-N 3.27Å; R312-S316 PolarHBondContact O-OG 3.41Å; V313-S316 PolarHBondContact O-N 2.95Å; S316-S318 VanDerWaalsContact C-N 3.32Å; S316-S318 PolarHBondContact O-N 3.47Å; S316-L319 PolarHBondContact O-N 2.64Å; S316-A320 WeakPolarHBondContact O-CB 3.43Å; S316-A320 PolarHBondContact O-N 2.74Å; S316-W326 VanDerWaalsContact CB-CD1 3.49Å; S316-F330 VanDerWaalsContact OG-CA 3.3Å; S316-F330 WeakPolarHBondContact OG-CA 3.44Å; S316-F330 WeakPolarHBondContact OG-CB 3.13Å; S316-F330 PolarHBondContact OG-N 3.22Å; S316-F330 VanDerWaalsContact OG-N 3.13Å
317	H	98.7	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-39.7	173.1	-64.5	162.3	0	0	0	113.3	L262 Y278 L280 M286 V313 R314 L315 L319 W326	L262-H317 HydrophobicContact CD2-CB 4.15Å; Y278-H317 AromaticContact CD1-CE1 3.64Å; Y278-H317 AromaticContact CD1-ND1 3.87Å; Y278-H317 AromaticContact CD2-CE1 3.53Å; Y278-H317 AromaticContact CE1-CE1 3.69Å; Y278-H317 AromaticContact CE1-ND1 3.77Å; Y278-H317 AromaticContact CE2-CE1 3.52Å; Y278-H317 AromaticContact CG-CE1 3.54Å; Y278-H317 AromaticContact CZ-CE1 3.59Å; Y278-H317 AromaticContact CZ-ND1 3.98Å; L280-H317 HydrophobicContact CD1-CB 4.24Å; L280-H317 WeakPolarHBondContact CD1-CD2 3.27Å; L280-H317 HydrophobicContact CD2-CB 4.07Å; M286-H317 WeakPolarHBondContact CE-CE1 3.47Å; M286-H317 WeakPolarHBondContact CE-NE2 3.08Å; V313-H317 WeakPolarHBondContact CG1-CE1 3.12Å; V313-H317 VanDerWaalsContact O-CG 3.3Å; V313-H317 PolarHBondContact O-N 3Å; R314-H317 PolarHBondContact O-N 3.19Å; L315-H317 PolarHBondContact O-N 3.02Å; H317-L319 VanDerWaalsContact C-N 3.34Å; H317-W326 AromaticContact CD2-NE1 3.25Å; H317-W326 PolarHBondContact CD2-NE1 3.48Å; H317-W326 AromaticContact NE2-NE1 3.55Å
318	S	98.3	Very high	98.8	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-76.1	-24.1	-174.6	-51.8	0	0	0	0	112.8	H148 T257 A258 R314 L315 S316	H148-S318 VanDerWaalsContact ND1-CB 3.31Å; H148-S318 WeakPolarHBondContact ND1-CB 3.11Å; T257-S318 CarbonylContact C-O 3.59Å; A258-S318 PolarHBondContact N-O 3.36Å; R314-S318 PolarHBondContact O-N 2.91Å; R314-S318 VanDerWaalsContact O-N 3.11Å; R314-S318 PolarHBondContact O-OG 2.78Å; L315-S318 PolarHBondContact O-N 2.65Å; S316-S318 VanDerWaalsContact C-N 3.32Å; S316-S318 PolarHBondContact O-N 3.47Å
319	L	98.8	Very high	98.8	Very high	19 Å²	19	23.1 Å²	23.1	10%	0.099	11%	0.11	C	C	.	.	H	α-helix	trans	-117.8	-18.4	-167.5	-71.2	170	0	0	0	114.7	P144 L145 H148 H256 L315 S316 H317 I329	P144-L319 HydrophobicContact CB-CD2 4.24Å; L145-L319 HydrophobicContact CD1-CD1 4.24Å; H148-L319 HydrophobicContact CB-CD1 4.43Å; H256-L319 HydrophobicContact CB-CD2 4.24Å; H256-L319 WeakPolarHBondContact O-CD2 3.29Å; L315-L319 WeakPolarHBondContact O-CB 3.18Å; L315-L319 PolarHBondContact O-N 2.73Å; L315-L319 VanDerWaalsContact O-N 3.14Å; S316-L319 PolarHBondContact O-N 2.64Å; H317-L319 VanDerWaalsContact C-N 3.34Å; L319-I329 HydrophobicContact CB-CD1 3.61Å; L319-I329 HydrophobicContact CD1-CG2 4.41Å
320	A	98.8	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.			trans	-93	133.6	-173	0	0	0	0	0	113.6	A258 S282 L284 S316 E325 W326 I329	A258-A320 VanDerWaalsContact CB-O 3.29Å; A258-A320 WeakPolarHBondContact CB-O 3.4Å; S282-A320 PolarHBondContact OG-O 2.75Å; L284-A320 HydrophobicContact CD1-CB 4.2Å; S316-A320 WeakPolarHBondContact O-CB 3.43Å; S316-A320 PolarHBondContact O-N 2.74Å; A320-E325 HydrophobicContact CB-CB 4.08Å; A320-W326 VanDerWaalsContact CB-CA 3.49Å; A320-W326 HydrophobicContact CB-CB 3.68Å; A320-W326 HydrophobicContact CB-CG 4.33Å; A320-I329 HydrophobicContact CB-CD1 3.96Å
321	H	98.4	Very high	98.8	Very high	105 Å²	105	24.1 Å²	24.1	49%	0.486	12%	0.119	S	C	.	.	S	Bend	trans	-102.1	-11	171	-63.7	-84.6	0	0	0	113.4	A258 E325	A258-H321 VanDerWaalsContact CA-CE1 3.43Å; A258-H321 WeakPolarHBondContact CA-CE1 3.38Å; H321-E325 WeakPolarHBondContact CB-OE2 3.46Å; H321-E325 IonicContact CD2-OE2 2.78Å; H321-E325 PolarHBondContact N-OE2 3.27Å
322	S	98.8	Very high	98.8	Very high	27 Å²	27	28.1 Å²	28.1	19%	0.189	14%	0.137	C	C	.	.	S	Bend	trans	-141.6	164.2	177.9	65.8	0	0	0	0	111.2	E324 E325 W326	S322-E324 VanDerWaalsContact C-N 3.3Å; S322-E324 PolarHBondContact O-N 2.96Å; S322-E325 PolarHBondContact O-N 2.92Å; S322-E325 WeakPolarHBondContact OG-CG 3.42Å; S322-E325 PolarHBondContact OG-N 2.83Å; S322-W326 WeakPolarHBondContact O-CB 3.37Å; S322-W326 PolarHBondContact O-N 2.71Å
323	G	98.8	Very high	98.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-36.3	175.2	0	0	0	0	0	113.6	W326 A327 T362	G323-W326 WeakPolarHBondContact O-CB 3.29Å; G323-W326 PolarHBondContact O-N 3.24Å; G323-A327 PolarHBondContact O-N 3.44Å; G323-T362 WeakPolarHBondContact CA-OG1 3.18Å
324	E	98.8	Very high	98.8	Very high	101 Å²	101	33.1 Å²	33.1	47%	0.472	16%	0.161	S	C	.	.	H	α-helix	trans	-68.5	-42.3	177.5	-168.5	-169.8	175.3	0	0	111.9	S322 W326 A327 K328 F373	S322-E324 VanDerWaalsContact C-N 3.3Å; S322-E324 PolarHBondContact O-N 2.96Å; E324-W326 VanDerWaalsContact C-N 3.33Å; E324-A327 PolarHBondContact O-N 3.42Å; E324-K328 HydrophobicContact CG-CD 4.44Å; E324-K328 WeakPolarHBondContact O-CG 3.15Å; E324-K328 PolarHBondContact O-N 3.14Å; E324-K328 WeakPolarHBondContact OE1-CE 3.03Å; E324-K328 IonicContact OE1-NZ 3.74Å; E324-K328 PolarHBondContact OE1-NZ 3.21Å; E324-K328 IonicContact OE2-NZ 3.34Å; E324-F373 HydrophobicContact CG-CE2 4.05Å
325	E	98.9	Very high	98.8	Very high	78 Å²	78	33.2 Å²	33.2	36%	0.364	16%	0.162	S	C	.	.	H	α-helix	trans	-61.7	-43.9	173.5	-75.8	176.7	-179.4	0	0	111.3	A320 H321 S322 A327 K328 I329	A320-E325 HydrophobicContact CB-CB 4.08Å; H321-E325 WeakPolarHBondContact CB-OE2 3.46Å; H321-E325 IonicContact CD2-OE2 2.78Å; H321-E325 PolarHBondContact N-OE2 3.27Å; S322-E325 PolarHBondContact O-N 2.92Å; S322-E325 WeakPolarHBondContact OG-CG 3.42Å; S322-E325 PolarHBondContact OG-N 2.83Å; E325-A327 VanDerWaalsContact C-N 3.28Å; E325-A327 PolarHBondContact O-N 2.77Å; E325-K328 PolarHBondContact O-N 2.95Å; E325-I329 WeakPolarHBondContact O-CD1 3.21Å; E325-I329 VanDerWaalsContact O-CG1 3.31Å; E325-I329 WeakPolarHBondContact O-CG1 3.44Å; E325-I329 PolarHBondContact O-N 3.42Å
326	W	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55	-47.8	175.9	-169.7	104.3	0	0	0	110.2	M286 V313 S316 H317 A320 S322 G323 E324 K328 I329 F330 Y342 V344 V364	M286-W326 HydrophobicContact CE-CZ2 4.31Å; M286-W326 HydrophobicContact CG-CZ2 4.05Å; M286-W326 HydrophobicContact SD-CZ2 4.45Å; V313-W326 HydrophobicContact CG2-CZ2 4.43Å; S316-W326 VanDerWaalsContact CB-CD1 3.49Å; H317-W326 AromaticContact CD2-NE1 3.25Å; H317-W326 PolarHBondContact CD2-NE1 3.48Å; H317-W326 AromaticContact NE2-NE1 3.55Å; A320-W326 VanDerWaalsContact CB-CA 3.49Å; A320-W326 HydrophobicContact CB-CB 3.68Å; A320-W326 HydrophobicContact CB-CG 4.33Å; S322-W326 WeakPolarHBondContact O-CB 3.37Å; S322-W326 PolarHBondContact O-N 2.71Å; G323-W326 WeakPolarHBondContact O-CB 3.29Å; G323-W326 PolarHBondContact O-N 3.24Å; E324-W326 VanDerWaalsContact C-N 3.33Å; W326-K328 PolarHBondContact O-N 3.49Å; W326-I329 PolarHBondContact O-N 3.38Å; W326-F330 HydrophobicContact CE3-CB 3.93Å; W326-F330 HydrophobicContact CE3-CG 4.42Å; W326-F330 HydrophobicContact CH2-CB 4.05Å; W326-F330 HydrophobicContact CH2-CD1 4.36Å; W326-F330 AromaticContact CH2-CD2 3.67Å; W326-F330 HydrophobicContact CH2-CD2 3.67Å; W326-F330 HydrophobicContact CH2-CE2 4.25Å; W326-F330 AromaticContact CH2-CG 3.75Å; W326-F330 HydrophobicContact CH2-CG 3.75Å; W326-F330 HydrophobicContact CZ2-CD2 4.33Å; W326-F330 HydrophobicContact CZ3-CB 3.65Å; W326-F330 HydrophobicContact CZ3-CD1 4.04Å; W326-F330 HydrophobicContact CZ3-CD2 4.07Å; W326-F330 AromaticContact CZ3-CG 3.64Å; W326-F330 HydrophobicContact CZ3-CG 3.64Å; W326-F330 VanDerWaalsContact O-CB 3.23Å; W326-F330 WeakPolarHBondContact O-CB 3.39Å; W326-F330 PolarHBondContact O-N 3.14Å; W326-Y342 AromaticContact CH2-CD1 3.56Å; W326-Y342 HydrophobicContact CH2-CD1 3.56Å; W326-Y342 AromaticContact CH2-CD2 3.96Å; W326-Y342 HydrophobicContact CH2-CD2 3.96Å; W326-Y342 HydrophobicContact CH2-CE1 4.11Å; W326-Y342 HydrophobicContact CH2-CE2 4.46Å; W326-Y342 AromaticContact CH2-CG 3.47Å; W326-Y342 HydrophobicContact CH2-CG 3.47Å; W326-Y342 VanDerWaalsContact CH2-CG 3.47Å; W326-Y342 HydrophobicContact CZ2-CD1 4.19Å; W326-Y342 HydrophobicContact CZ2-CG 4.46Å; W326-Y342 HydrophobicContact CZ3-CD1 4.46Å; W326-Y342 HydrophobicContact CZ3-CD2 4.22Å; W326-Y342 AromaticContact CZ3-CG 3.94Å; W326-Y342 HydrophobicContact CZ3-CG 3.94Å; W326-V344 HydrophobicContact CB-CG1 4.34Å; W326-V344 HydrophobicContact CB-CG2 4.39Å; W326-V344 HydrophobicContact CD2-CG2 3.65Å; W326-V344 HydrophobicContact CE3-CG2 3.69Å; W326-V344 HydrophobicContact CG-CG1 4.33Å; W326-V344 HydrophobicContact CG-CG2 3.95Å; W326-V344 HydrophobicContact CZ3-CG2 4.29Å; W326-V364 HydrophobicContact CE3-CG2 4Å; W326-V364 HydrophobicContact CZ3-CB 4.13Å; W326-V364 HydrophobicContact CZ3-CG1 4.24Å; W326-V364 HydrophobicContact CZ3-CG2 3.97Å
327	A	98.9	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-43.6	178.9	0	0	0	0	0	112.9	G323 E324 E325 F330 S331 T362 V364 F373	G323-A327 PolarHBondContact O-N 3.44Å; E324-A327 PolarHBondContact O-N 3.42Å; E325-A327 VanDerWaalsContact C-N 3.28Å; E325-A327 PolarHBondContact O-N 2.77Å; A327-F330 PolarHBondContact O-N 3.33Å; A327-S331 WeakPolarHBondContact O-CB 3.23Å; A327-S331 PolarHBondContact O-N 2.9Å; A327-S331 PolarHBondContact O-OG 3.44Å; A327-T362 HydrophobicContact CB-CG2 4.27Å; A327-V364 HydrophobicContact CB-CG1 4.37Å; A327-V364 HydrophobicContact CB-CG2 3.47Å; A327-V364 VanDerWaalsContact CB-CG2 3.47Å; A327-F373 HydrophobicContact CB-CB 3.73Å; A327-F373 HydrophobicContact CB-CD1 3.67Å; A327-F373 HydrophobicContact CB-CD2 3.66Å; A327-F373 HydrophobicContact CB-CE1 4.15Å; A327-F373 HydrophobicContact CB-CE2 4.14Å; A327-F373 HydrophobicContact CB-CG 3.4Å; A327-F373 VanDerWaalsContact CB-CG 3.4Å; A327-F373 HydrophobicContact CB-CZ 4.37Å
328	K	98.9	Very high	98.6	Very high	101 Å²	101	33.9 Å²	33.9	44%	0.439	17%	0.165	S	C	.	.	H	α-helix	trans	-64.6	-40.9	178	-73.5	171.3	-177	164.9	0	112.2	E324 E325 W326 F373	E324-K328 HydrophobicContact CG-CD 4.44Å; E324-K328 WeakPolarHBondContact O-CG 3.15Å; E324-K328 PolarHBondContact O-N 3.14Å; E324-K328 WeakPolarHBondContact OE1-CE 3.03Å; E324-K328 IonicContact OE1-NZ 3.74Å; E324-K328 PolarHBondContact OE1-NZ 3.21Å; E324-K328 IonicContact OE2-NZ 3.34Å; E325-K328 PolarHBondContact O-N 2.95Å; W326-K328 PolarHBondContact O-N 3.49Å; K328-F373 HydrophobicContact CG-CZ 3.93Å
329	I	98.9	Very high	98.5	Very high	22 Å²	22	33.7 Å²	33.7	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-48.4	177.5	-66.7	156.1	0	0	0	109.9	L145 L315 L319 A320 E325 W326 S331 K332	L145-I329 HydrophobicContact CD1-CG2 3.89Å; L315-I329 HydrophobicContact CB-CG2 4.27Å; L319-I329 HydrophobicContact CB-CD1 3.61Å; L319-I329 HydrophobicContact CD1-CG2 4.41Å; A320-I329 HydrophobicContact CB-CD1 3.96Å; E325-I329 WeakPolarHBondContact O-CD1 3.21Å; E325-I329 VanDerWaalsContact O-CG1 3.31Å; E325-I329 WeakPolarHBondContact O-CG1 3.44Å; E325-I329 PolarHBondContact O-N 3.42Å; W326-I329 PolarHBondContact O-N 3.38Å; I329-S331 PolarHBondContact O-N 3.28Å; I329-K332 WeakPolarHBondContact O-CB 3.47Å; I329-K332 PolarHBondContact O-N 3.17Å; I329-K332 VanDerWaalsContact O-N 3.11Å
330	F	98.9	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-33.6	179	178.6	-99.9	0	0	0	112.9	R312 V313 S316 W326 A327 K332 Y342 V364 Q366 V371	R312-F330 HydrophobicContact CB-CD2 3.87Å; R312-F330 HydrophobicContact CB-CE2 4.12Å; R312-F330 WeakPolarHBondContact CD-O 3.28Å; R312-F330 PolarHBondContact NH1-O 3.42Å; V313-F330 HydrophobicContact CG2-CD2 4.26Å; V313-F330 HydrophobicContact CG2-CE2 3.92Å; S316-F330 VanDerWaalsContact OG-CA 3.3Å; S316-F330 WeakPolarHBondContact OG-CA 3.44Å; S316-F330 WeakPolarHBondContact OG-CB 3.13Å; S316-F330 PolarHBondContact OG-N 3.22Å; S316-F330 VanDerWaalsContact OG-N 3.13Å; W326-F330 HydrophobicContact CE3-CB 3.93Å; W326-F330 HydrophobicContact CE3-CG 4.42Å; W326-F330 HydrophobicContact CH2-CB 4.05Å; W326-F330 HydrophobicContact CH2-CD1 4.36Å; W326-F330 AromaticContact CH2-CD2 3.67Å; W326-F330 HydrophobicContact CH2-CD2 3.67Å; W326-F330 HydrophobicContact CH2-CE2 4.25Å; W326-F330 AromaticContact CH2-CG 3.75Å; W326-F330 HydrophobicContact CH2-CG 3.75Å; W326-F330 HydrophobicContact CZ2-CD2 4.33Å; W326-F330 HydrophobicContact CZ3-CB 3.65Å; W326-F330 HydrophobicContact CZ3-CD1 4.04Å; W326-F330 HydrophobicContact CZ3-CD2 4.07Å; W326-F330 AromaticContact CZ3-CG 3.64Å; W326-F330 HydrophobicContact CZ3-CG 3.64Å; W326-F330 VanDerWaalsContact O-CB 3.23Å; W326-F330 WeakPolarHBondContact O-CB 3.39Å; W326-F330 PolarHBondContact O-N 3.14Å; A327-F330 PolarHBondContact O-N 3.33Å; F330-K332 VanDerWaalsContact C-N 3.26Å; F330-K332 PolarHBondContact O-N 3.03Å; F330-Y342 HydrophobicContact CD1-CE2 4.42Å; F330-Y342 HydrophobicContact CE1-CD2 4.01Å; F330-Y342 AromaticContact CE1-CE2 3.51Å; F330-Y342 HydrophobicContact CE1-CE2 3.51Å; F330-Y342 HydrophobicContact CE2-CE1 4.4Å; F330-Y342 AromaticContact CE2-CE2 3.72Å; F330-Y342 HydrophobicContact CE2-CE2 3.72Å; F330-Y342 AromaticContact CE2-CZ 3.63Å; F330-Y342 AromaticContact CZ-CD2 3.98Å; F330-Y342 HydrophobicContact CZ-CD2 3.98Å; F330-Y342 AromaticContact CZ-CE2 3.09Å; F330-Y342 HydrophobicContact CZ-CE2 3.09Å; F330-Y342 AromaticContact CZ-CZ 3.44Å; F330-Y342 VanDerWaalsContact CZ-CZ 3.44Å; F330-Y342 WeakPolarHBondContact CZ-OH 3.45Å; F330-V364 HydrophobicContact CD1-CG1 3.89Å; F330-V364 HydrophobicContact CE1-CG1 4.33Å; F330-Q366 HydrophobicContact CE1-CB 4.12Å; F330-Q366 VanDerWaalsContact CE1-OE1 3.24Å; F330-V371 HydrophobicContact CD1-CG1 4.25Å; F330-V371 HydrophobicContact CE1-CG1 4.48Å
331	S	98.9	Very high	98.5	Very high	34 Å²	34	32.8 Å²	32.8	24%	0.238	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.4	179.7	-61.2	0	0	0	0	113.9	A327 I329 V371	A327-S331 WeakPolarHBondContact O-CB 3.23Å; A327-S331 PolarHBondContact O-N 2.9Å; A327-S331 PolarHBondContact O-OG 3.44Å; I329-S331 PolarHBondContact O-N 3.28Å; S331-V371 VanDerWaalsContact OG-CG1 3.26Å; S331-V371 WeakPolarHBondContact OG-CG1 3.39Å
332	K	98.7	Very high	98.5	Very high	93 Å²	93	27.8 Å²	27.8	40%	0.404	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	133.6	-177.7	-64.1	-177.2	-178.8	-178.8	0	110.8	L145 R312 I329 F330 N334	L145-K332 HydrophobicContact CD1-CD 4.25Å; L145-K332 HydrophobicContact CD2-CB 4.18Å; L145-K332 HydrophobicContact CD2-CD 3.82Å; R312-K332 WeakPolarHBondContact CD-O 3.35Å; I329-K332 WeakPolarHBondContact O-CB 3.47Å; I329-K332 PolarHBondContact O-N 3.17Å; I329-K332 VanDerWaalsContact O-N 3.11Å; F330-K332 VanDerWaalsContact C-N 3.26Å; F330-K332 PolarHBondContact O-N 3.03Å; K332-N334 PolarHBondContact O-N 3.3Å
333	H	98.6	Very high	98.5	Very high	73 Å²	73	26.5 Å²	26.5	34%	0.338	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	37.9	179.2	-52.7	-76.3	0	0	0	113.7	W131 W146 L307 S335	W131-H333 HydrophobicContact CH2-CB 4.29Å; W131-H333 AromaticContact CH2-ND1 3.78Å; W146-H333 AromaticContact CE2-NE2 3.97Å; W146-H333 AromaticContact CZ2-CD2 3.77Å; W146-H333 AromaticContact CZ2-CE1 3.78Å; W146-H333 AromaticContact CZ2-NE2 3.42Å; W146-H333 WeakPolarHBondContact CZ2-NE2 3.28Å; L307-H333 HydrophobicContact CB-CB 4.12Å; L307-H333 HydrophobicContact CD1-CB 4.01Å; L307-H333 HydrophobicContact CG-CB 3.99Å; L307-H333 PolarHBondContact N-O 2.66Å; H333-S335 PolarHBondContact O-N 3.28Å
334	N	98.8	Very high	98.5	Very high	34 Å²	34	26.5 Å²	26.5	18%	0.182	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-46.2	123.7	175.6	176.4	19.5	0	0	0	111.3	K332 G336 Q366 I367 V371	K332-N334 PolarHBondContact O-N 3.3Å; N334-G336 PolarHBondContact OD1-N 2.78Å; N334-Q366 VanDerWaalsContact OD1-CG 3.29Å; N334-Q366 WeakPolarHBondContact OD1-CG 3.26Å; N334-Q366 PolarHBondContact OD1-NE2 2.72Å; N334-Q366 PolarHBondContact OD1-OE1 3.39Å; N334-I367 PolarHBondContact ND2-O 3.3Å; N334-V371 HydrophobicContact CB-CG2 4.12Å
335	S	98.6	Very high	98.5	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.028	10%	0.103	C	C	.	.			trans	-84.3	-18.6	179.1	54.5	0	0	0	0	114	S306 L307 R312 H333 T337	S306-S335 WeakPolarHBondContact OG-CA 3.34Å; S306-S335 WeakPolarHBondContact OG-CB 3.02Å; L307-S335 VanDerWaalsContact O-CB 3.27Å; L307-S335 WeakPolarHBondContact O-CB 3.32Å; L307-S335 PolarHBondContact O-OG 3.19Å; R312-S335 PolarHBondContact NH2-OG 3.49Å; H333-S335 PolarHBondContact O-N 3.28Å; S335-T337 VanDerWaalsContact CB-OG1 3.27Å; S335-T337 WeakPolarHBondContact CB-OG1 3.06Å; S335-T337 PolarHBondContact O-N 2.78Å; S335-T337 PolarHBondContact OG-N 3.29Å; S335-T337 PolarHBondContact OG-OG1 3.15Å
336	G	97.8	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	67.9	16	-169.6	0	0	0	0	0	114	N334 N339 P368	N334-G336 PolarHBondContact OD1-N 2.78Å; G336-N339 PolarHBondContact O-ND2 2.92Å; G336-N339 PolarHBondContact O-OD1 2.84Å; G336-P368 VanDerWaalsContact CA-CA 3.49Å; G336-P368 WeakPolarHBondContact O-CG 2.93Å
337	T	97.5	Very high	98.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	9%	0.092	C	C	.	.			trans	-114.2	149.5	178.8	54.1	0	0	0	0	110.1	D188 D191 L192 I302 S309 S335 Q366	D188-T337 VanDerWaalsContact OD1-CB 3.31Å; D188-T337 WeakPolarHBondContact OD1-CB 3.46Å; D188-T337 PolarHBondContact OD1-OG1 2.97Å; D191-T337 HydrophobicContact CB-CG2 4.34Å; L192-T337 HydrophobicContact CB-CG2 4.15Å; I302-T337 HydrophobicContact CD1-CG2 4.12Å; I302-T337 HydrophobicContact CG2-CG2 4.05Å; S309-T337 PolarHBondContact OG-O 2.76Å; S335-T337 VanDerWaalsContact CB-OG1 3.27Å; S335-T337 WeakPolarHBondContact CB-OG1 3.06Å; S335-T337 PolarHBondContact O-N 2.78Å; S335-T337 PolarHBondContact OG-N 3.29Å; S335-T337 PolarHBondContact OG-OG1 3.15Å; T337-Q366 PolarHBondContact O-NE2 2.78Å
338	Y	96.9	Very high	98.4	Very high	15 Å²	15	23.6 Å²	23.6	6%	0.059	12%	0.121	C	C	.	.	S	Bend	trans	51.5	60.7	-170.2	-152.9	-160.2	0	0	0	113.3	G187 L190 D191 L274 T290 N340	G187-Y338 VanDerWaalsContact C-CG 3.44Å; G187-Y338 WeakPolarHBondContact O-CD2 3.44Å; L190-Y338 HydrophobicContact CD1-CD2 4.42Å; L190-Y338 HydrophobicContact CD1-CE2 4.16Å; D191-Y338 VanDerWaalsContact OD2-CA 3.25Å; D191-Y338 WeakPolarHBondContact OD2-CA 3.29Å; D191-Y338 PolarHBondContact OD2-N 3.26Å; L274-Y338 HydrophobicContact CD1-CE1 3.73Å; L274-Y338 WeakPolarHBondContact CD1-OH 3.14Å; L274-Y338 PolarHBondContact O-OH 3.44Å; T290-Y338 HydrophobicContact CG2-CD2 3.99Å; T290-Y338 HydrophobicContact CG2-CE2 3.97Å; T290-Y338 WeakPolarHBondContact OG1-CE2 3.22Å; Y338-N340 WeakPolarHBondContact CD1-ND2 3.38Å; Y338-N340 VanDerWaalsContact O-CG 3.23Å; Y338-N340 PolarHBondContact O-N 3.49Å; Y338-N340 PolarHBondContact O-ND2 2.52Å; Y338-N340 VanDerWaalsContact O-ND2 3.14Å
339	N	97.1	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.			trans	-72.2	114	-172.7	-64	-60.8	0	0	0	110.9	D191 T290 N291 V293 G336 Q366 I367	D191-N339 VanDerWaalsContact CG-ND2 3.26Å; D191-N339 PolarHBondContact OD2-N 2.56Å; D191-N339 VanDerWaalsContact OD2-N 3.15Å; D191-N339 PolarHBondContact OD2-ND2 3.01Å; T290-N339 VanDerWaalsContact CG2-O 3.31Å; T290-N339 WeakPolarHBondContact CG2-O 3.27Å; N291-N339 CarbonylContact C-O 3.06Å; N291-N339 PolarHBondContact N-O 2.67Å; V293-N339 HydrophobicContact CG2-CB 3.92Å; G336-N339 PolarHBondContact O-ND2 2.92Å; G336-N339 PolarHBondContact O-OD1 2.84Å; N339-Q366 WeakPolarHBondContact CB-O 3.47Å; N339-Q366 PolarHBondContact OD1-NE2 3.23Å; N339-Q366 VanDerWaalsContact OD1-NE2 3.09Å; N339-I367 VanDerWaalsContact OD1-CA 3.31Å; N339-I367 WeakPolarHBondContact OD1-CA 3.37Å
340	N	97.9	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	157	-163.7	-75.3	-29.1	0	0	0	111.2	Q288 T290 Y338 Y342 E365 Q366	Q288-N340 HydrophobicContact CB-CB 4.31Å; Q288-N340 HydrophobicContact CG-CB 3.44Å; Q288-N340 VanDerWaalsContact CG-CB 3.44Å; Q288-N340 WeakPolarHBondContact CG-ND2 3.26Å; T290-N340 WeakPolarHBondContact CA-OD1 3.48Å; T290-N340 WeakPolarHBondContact CB-OD1 3.47Å; T290-N340 VanDerWaalsContact CG2-OD1 3.31Å; T290-N340 WeakPolarHBondContact CG2-OD1 3.49Å; T290-N340 PolarHBondContact OG1-OD1 2.89Å; Y338-N340 WeakPolarHBondContact CD1-ND2 3.38Å; Y338-N340 VanDerWaalsContact O-CG 3.23Å; Y338-N340 PolarHBondContact O-N 3.49Å; Y338-N340 PolarHBondContact O-ND2 2.52Å; Y338-N340 VanDerWaalsContact O-ND2 3.14Å; N340-Y342 HydrophobicContact CB-CD2 4.02Å; N340-Y342 HydrophobicContact CB-CE1 4.07Å; N340-Y342 HydrophobicContact CB-CE2 3.4Å; N340-Y342 VanDerWaalsContact CB-CE2 3.4Å; N340-Y342 VanDerWaalsContact CB-CZ 3.44Å; N340-Y342 PolarHBondContact ND2-OH 3.34Å; N340-E365 WeakPolarHBondContact O-CA 3.39Å; N340-Q366 PolarHBondContact O-N 2.83Å; N340-Q366 VanDerWaalsContact O-N 3.15Å
341	Q	98.7	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.5	156.5	-179	-174.1	95.4	0	0	108.4	Q288 T289 M343 V363 V364 E365 S387	Q288-Q341 CarbonylContact C-O 3.5Å; Q288-Q341 WeakPolarHBondContact CA-O 3.25Å; Q288-Q341 VanDerWaalsContact CB-O 3.25Å; Q288-Q341 WeakPolarHBondContact CB-O 3.09Å; T289-Q341 PolarHBondContact N-O 2.95Å; T289-Q341 PolarHBondContact O-N 3.11Å; Q341-M343 WeakPolarHBondContact O-CE 3.44Å; Q341-V363 HydrophobicContact CG-CG1 3.7Å; Q341-V364 CarbonylContact C-O 3.53Å; Q341-V364 WeakPolarHBondContact CA-O 3.5Å; Q341-E365 HydrophobicContact CB-CG 3.81Å; Q341-E365 HydrophobicContact CG-CG 3.75Å; Q341-E365 WeakPolarHBondContact CG-OE1 3.31Å; Q341-E365 PolarHBondContact NE2-OE1 3.23Å; Q341-S387 VanDerWaalsContact OE1-CB 3.28Å; Q341-S387 PolarHBondContact OE1-OG 3.02Å
342	Y	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.6	173.4	-53.5	-92.8	0	0	0	110.2	M286 T287 Q288 V313 W326 F330 N340 V363 V364	M286-Y342 HydrophobicContact SD-CD1 3.88Å; T287-Y342 CarbonylContact O-C 3.48Å; T287-Y342 WeakPolarHBondContact O-CA 3.12Å; Q288-Y342 HydrophobicContact CB-CD1 3.42Å; Q288-Y342 VanDerWaalsContact CB-CD1 3.42Å; Q288-Y342 HydrophobicContact CB-CE1 3.83Å; Q288-Y342 HydrophobicContact CB-CG 3.99Å; Q288-Y342 HydrophobicContact CG-CD1 4.09Å; Q288-Y342 HydrophobicContact CG-CE1 3.98Å; V313-Y342 HydrophobicContact CG2-CE1 3.74Å; W326-Y342 AromaticContact CH2-CD1 3.56Å; W326-Y342 HydrophobicContact CH2-CD1 3.56Å; W326-Y342 AromaticContact CH2-CD2 3.96Å; W326-Y342 HydrophobicContact CH2-CD2 3.96Å; W326-Y342 HydrophobicContact CH2-CE1 4.11Å; W326-Y342 HydrophobicContact CH2-CE2 4.46Å; W326-Y342 AromaticContact CH2-CG 3.47Å; W326-Y342 HydrophobicContact CH2-CG 3.47Å; W326-Y342 VanDerWaalsContact CH2-CG 3.47Å; W326-Y342 HydrophobicContact CZ2-CD1 4.19Å; W326-Y342 HydrophobicContact CZ2-CG 4.46Å; W326-Y342 HydrophobicContact CZ3-CD1 4.46Å; W326-Y342 HydrophobicContact CZ3-CD2 4.22Å; W326-Y342 AromaticContact CZ3-CG 3.94Å; W326-Y342 HydrophobicContact CZ3-CG 3.94Å; F330-Y342 HydrophobicContact CD1-CE2 4.42Å; F330-Y342 HydrophobicContact CE1-CD2 4.01Å; F330-Y342 AromaticContact CE1-CE2 3.51Å; F330-Y342 HydrophobicContact CE1-CE2 3.51Å; F330-Y342 HydrophobicContact CE2-CE1 4.4Å; F330-Y342 AromaticContact CE2-CE2 3.72Å; F330-Y342 HydrophobicContact CE2-CE2 3.72Å; F330-Y342 AromaticContact CE2-CZ 3.63Å; F330-Y342 AromaticContact CZ-CD2 3.98Å; F330-Y342 HydrophobicContact CZ-CD2 3.98Å; F330-Y342 AromaticContact CZ-CE2 3.09Å; F330-Y342 HydrophobicContact CZ-CE2 3.09Å; F330-Y342 AromaticContact CZ-CZ 3.44Å; F330-Y342 VanDerWaalsContact CZ-CZ 3.44Å; F330-Y342 WeakPolarHBondContact CZ-OH 3.45Å; N340-Y342 HydrophobicContact CB-CD2 4.02Å; N340-Y342 HydrophobicContact CB-CE1 4.07Å; N340-Y342 HydrophobicContact CB-CE2 3.4Å; N340-Y342 VanDerWaalsContact CB-CE2 3.4Å; N340-Y342 VanDerWaalsContact CB-CZ 3.44Å; N340-Y342 PolarHBondContact ND2-OH 3.34Å; Y342-V363 CarbonylContact O-C 3.59Å; Y342-V363 WeakPolarHBondContact O-CA 3.03Å; Y342-V364 HydrophobicContact CD2-CB 4.46Å; Y342-V364 PolarHBondContact N-O 3.2Å; Y342-V364 PolarHBondContact O-N 2.97Å
343	M	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.6	175.7	-64.7	141.3	-78.4	0	0	107.9	A217 I219 M286 T287 T289 Q341 L361 V363 W385 S387	A217-M343 HydrophobicContact CB-CE 4.12Å; A217-M343 HydrophobicContact CB-SD 4.23Å; I219-M343 HydrophobicContact CD1-CB 3.73Å; I219-M343 HydrophobicContact CD1-CG 4.29Å; I219-M343 HydrophobicContact CD1-SD 4.46Å; M286-M343 WeakPolarHBondContact CA-O 3.43Å; T287-M343 HydrophobicContact CG2-CB 4.24Å; T287-M343 HydrophobicContact CG2-CE 3.8Å; T287-M343 HydrophobicContact CG2-SD 4.2Å; T287-M343 PolarHBondContact N-O 3.33Å; T287-M343 VanDerWaalsContact N-O 3.12Å; T287-M343 PolarHBondContact O-N 3.17Å; T289-M343 HydrophobicContact CG2-CE 4.4Å; Q341-M343 WeakPolarHBondContact O-CE 3.44Å; M343-L361 HydrophobicContact CB-CD1 4.1Å; M343-V363 HydrophobicContact CG-CG2 4.34Å; M343-W385 VanDerWaalsContact SD-CD1 3.53Å; M343-S387 WeakPolarHBondContact SD-CB 3.37Å
344	V	98.9	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.8	-178.2	-171	0	0	0	0	108.5	L284 M285 M286 W326 L361 T362	L284-V344 HydrophobicContact CB-CG1 4.42Å; L284-V344 HydrophobicContact CD1-CG1 4.11Å; L284-V344 HydrophobicContact CD2-CG1 4.24Å; L284-V344 HydrophobicContact CG-CG1 4.49Å; M285-V344 WeakPolarHBondContact O-CA 3.49Å; M286-V344 HydrophobicContact CG-CG2 4.05Å; W326-V344 HydrophobicContact CB-CG1 4.34Å; W326-V344 HydrophobicContact CB-CG2 4.39Å; W326-V344 HydrophobicContact CD2-CG2 3.65Å; W326-V344 HydrophobicContact CE3-CG2 3.69Å; W326-V344 HydrophobicContact CG-CG1 4.33Å; W326-V344 HydrophobicContact CG-CG2 3.95Å; W326-V344 HydrophobicContact CZ3-CG2 4.29Å; V344-L361 WeakPolarHBondContact O-CA 3.3Å; V344-T362 PolarHBondContact N-O 3.03Å; V344-T362 PolarHBondContact O-N 2.96Å
345	V	98.9	Very high	98.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.4	175.6	179.4	0	0	0	0	109.1	I219 L228 F230 L284 M285 A360 L361	I219-V345 HydrophobicContact CD1-CG2 3.7Å; I219-V345 HydrophobicContact CG2-CG2 4.11Å; L228-V345 HydrophobicContact CD1-CG1 3.83Å; L228-V345 HydrophobicContact CD2-CG1 4.46Å; F230-V345 HydrophobicContact CD2-CG2 4.14Å; F230-V345 HydrophobicContact CE2-CG2 4.06Å; L284-V345 CarbonylContact C-O 3.59Å; L284-V345 WeakPolarHBondContact CA-O 3.42Å; M285-V345 HydrophobicContact CB-CB 4.32Å; M285-V345 HydrophobicContact CE-CB 3.84Å; M285-V345 HydrophobicContact CE-CG1 3.52Å; M285-V345 PolarHBondContact N-O 3.43Å; M285-V345 PolarHBondContact O-N 2.88Å; V345-A360 CarbonylContact C-O 3.2Å; V345-A360 VanDerWaalsContact CA-O 3.26Å; V345-A360 WeakPolarHBondContact CA-O 3.31Å; V345-L361 HydrophobicContact CG2-CD1 4Å
346	D	98.8	Very high	98.2	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.9	172	-177.3	-12.7	0	0	0	109.6	L284 S348 K349 A360	L284-D346 HydrophobicContact CD2-CB 3.7Å; D346-S348 VanDerWaalsContact CG-OG 3.31Å; D346-S348 PolarHBondContact O-N 3.21Å; D346-S348 VanDerWaalsContact OD1-CB 3.28Å; D346-S348 WeakPolarHBondContact OD1-CB 3.23Å; D346-S348 PolarHBondContact OD1-N 2.67Å; D346-S348 PolarHBondContact OD1-OG 3.38Å; D346-S348 PolarHBondContact OD2-OG 3.36Å; D346-K349 HydrophobicContact CB-CG 4.06Å; D346-K349 PolarHBondContact O-N 2.91Å; D346-A360 PolarHBondContact N-O 3.09Å
347	R	97.9	Very high	98.2	Very high	27 Å²	27	30.8 Å²	30.8	10%	0.102	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.3	-27.8	-177.7	-69.2	159.2	30.5	97.3	12.8	112.5	G283 M285 K349 V350 F484 D488	G283-R347 VanDerWaalsContact O-CB 3.26Å; G283-R347 WeakPolarHBondContact O-CB 3.42Å; G283-R347 WeakPolarHBondContact O-CD 3.47Å; G283-R347 VanDerWaalsContact O-CG 3.28Å; G283-R347 WeakPolarHBondContact O-CG 3.28Å; G283-R347 PolarHBondContact O-N 2.9Å; M285-R347 HydrophobicContact CE-CG 3.81Å; M285-R347 HydrophobicContact CG-CG 4.39Å; M285-R347 HydrophobicContact SD-CG 4.35Å; R347-K349 PolarHBondContact O-N 3.23Å; R347-K349 VanDerWaalsContact O-N 3.16Å; R347-V350 PolarHBondContact O-N 2.87Å; R347-V350 VanDerWaalsContact O-N 3.09Å; R347-F484 HydrophobicContact CB-CE2 3.72Å; R347-F484 HydrophobicContact CB-CZ 4.11Å; R347-F484 HydrophobicContact CG-CD2 4.31Å; R347-F484 HydrophobicContact CG-CE2 3.91Å; R347-F484 PolarHBondContact NH1-O 2.66Å; R347-D488 IonicContact CZ-OD1 3.19Å; R347-D488 VanDerWaalsContact NH2-CG 3.29Å; R347-D488 IonicContact NH2-OD1 3.98Å; R347-D488 PolarHBondContact NH2-OD1 2.92Å
348	S	98	Very high	98.3	Very high	87 Å²	87	35.6 Å²	35.6	61%	0.608	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-65.3	-18.1	179.9	77.5	0	0	0	0	112.9	D346	D346-S348 VanDerWaalsContact CG-OG 3.31Å; D346-S348 PolarHBondContact O-N 3.21Å; D346-S348 VanDerWaalsContact OD1-CB 3.28Å; D346-S348 WeakPolarHBondContact OD1-CB 3.23Å; D346-S348 PolarHBondContact OD1-N 2.67Å; D346-S348 PolarHBondContact OD1-OG 3.38Å; D346-S348 PolarHBondContact OD2-OG 3.36Å
349	K	98.7	Very high	98.4	Very high	76 Å²	76	35.8 Å²	35.8	33%	0.33	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-93.6	-3	177.9	-56.2	-60.5	-177.5	179.4	0	113.8	D346 R347 D357 A360	D346-K349 HydrophobicContact CB-CG 4.06Å; D346-K349 PolarHBondContact O-N 2.91Å; R347-K349 PolarHBondContact O-N 3.23Å; R347-K349 VanDerWaalsContact O-N 3.16Å; K349-D357 HydrophobicContact CB-CB 4.38Å; K349-D357 HydrophobicContact CD-CB 4.43Å; K349-D357 PolarHBondContact O-N 3.35Å; K349-A360 HydrophobicContact CB-CB 3.65Å
350	V	98.4	Very high	98.5	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.5	179.7	-178.8	0	0	0	0	109	M221 L228 R347 L352 I356 A360 F484	M221-V350 HydrophobicContact CE-CG1 3.99Å; L228-V350 HydrophobicContact CD1-CG1 4.43Å; L228-V350 HydrophobicContact CD1-CG2 3.93Å; R347-V350 PolarHBondContact O-N 2.87Å; R347-V350 VanDerWaalsContact O-N 3.09Å; V350-L352 HydrophobicContact CG1-CD2 3.89Å; V350-I356 HydrophobicContact CG2-CG2 4.38Å; V350-A360 HydrophobicContact CG2-CB 4.02Å; V350-F484 HydrophobicContact CB-CD2 4.43Å; V350-F484 HydrophobicContact CB-CE2 3.71Å; V350-F484 HydrophobicContact CB-CZ 4.32Å; V350-F484 HydrophobicContact CG1-CD2 4.27Å; V350-F484 HydrophobicContact CG1-CE2 3.96Å; V350-F484 HydrophobicContact CG2-CE2 4.5Å
351	K	98.3	Very high	98.5	Very high	94 Å²	94	35.8 Å²	35.8	41%	0.409	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	96	174.2	-64	172.8	-175.1	139.4	0	108.4	G353 Q354 S355 D357	K351-G353 PolarHBondContact O-N 2.98Å; K351-Q354 HydrophobicContact CB-CB 4.15Å; K351-Q354 PolarHBondContact O-N 2.77Å; K351-S355 CarbonylContact C-O 3.55Å; K351-S355 WeakPolarHBondContact CA-O 3.36Å; K351-S355 PolarHBondContact N-O 3.41Å; K351-S355 PolarHBondContact O-N 3.19Å; K351-S355 VanDerWaalsContact O-O 3.08Å; K351-D357 IonicContact NZ-OD1 2.81Å; K351-D357 IonicContact NZ-OD2 3.82Å; K351-D357 PolarHBondContact NZ-OD2 3.11Å
352	L	98.3	Very high	98.5	Very high	32 Å²	32	36 Å²	36	17%	0.168	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.6	-177.4	-61.7	-178.9	0	0	0	111.9	Y225 V350 Q354 F484 Y485	Y225-L352 CarbonylContact O-C 3.56Å; Y225-L352 WeakPolarHBondContact O-CA 3.3Å; Y225-L352 WeakPolarHBondContact O-CB 3.22Å; Y225-L352 WeakPolarHBondContact O-CD2 3.16Å; V350-L352 HydrophobicContact CG1-CD2 3.89Å; L352-Q354 PolarHBondContact O-N 3.01Å; L352-F484 HydrophobicContact CD1-CB 4.03Å; L352-F484 HydrophobicContact CD1-CD1 3.46Å; L352-F484 VanDerWaalsContact CD1-CD1 3.46Å; L352-F484 HydrophobicContact CD1-CE1 4.11Å; L352-F484 HydrophobicContact CD1-CG 3.87Å; L352-F484 HydrophobicContact CD2-CB 4.47Å; L352-F484 HydrophobicContact CD2-CD1 4.48Å; L352-F484 HydrophobicContact CD2-CG 4.24Å; L352-F484 HydrophobicContact CG-CD1 3.96Å; L352-F484 HydrophobicContact CG-CE1 4.23Å; L352-F484 HydrophobicContact CG-CG 4.22Å; L352-Y485 HydrophobicContact CD1-CE1 4.16Å; L352-Y485 HydrophobicContact CD1-CE2 3.68Å; L352-Y485 VanDerWaalsContact CD1-CZ 3.45Å; L352-Y485 VanDerWaalsContact CD1-OH 3.27Å; L352-Y485 WeakPolarHBondContact CD1-OH 3.49Å
353	G	98	Very high	98.5	Very high	54 Å²	54	36 Å²	36	56%	0.557	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	3.7	-176	0	0	0	0	0	115.2	Y225 K351	Y225-G353 PolarHBondContact O-N 3.4Å; K351-G353 PolarHBondContact O-N 2.98Å
354	Q	97.6	Very high	98.5	Very high	154 Å²	154	36 Å²	36	72%	0.72	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-71.7	-170.7	-63	178.9	45.2	0	0	113.3	K351 L352	K351-Q354 HydrophobicContact CB-CB 4.15Å; K351-Q354 PolarHBondContact O-N 2.77Å; L352-Q354 PolarHBondContact O-N 3.01Å
355	S	97.9	Very high	98.5	Very high	37 Å²	37	36 Å²	36	26%	0.259	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	157.9	-173.4	73.7	0	0	0	0	112.4	K351 D357	K351-S355 CarbonylContact C-O 3.55Å; K351-S355 WeakPolarHBondContact CA-O 3.36Å; K351-S355 PolarHBondContact N-O 3.41Å; K351-S355 PolarHBondContact O-N 3.19Å; K351-S355 VanDerWaalsContact O-O 3.08Å; S355-D357 PolarHBondContact OG-OD1 2.72Å
356	I	98.6	Very high	98.5	Very high	5 Å²	5	36 Å²	36	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.5	167.8	-53.6	167.7	0	0	0	104.5	M221 Y225 V350 A360 T377 L380 R381	M221-I356 HydrophobicContact CE-CD1 3.64Å; M221-I356 HydrophobicContact CE-CG1 4.17Å; M221-I356 HydrophobicContact CG-CD1 3.85Å; M221-I356 HydrophobicContact SD-CD1 4.05Å; Y225-I356 HydrophobicContact CD1-CD1 3.96Å; Y225-I356 HydrophobicContact CD2-CD1 4.39Å; Y225-I356 HydrophobicContact CD2-CG1 4.21Å; Y225-I356 HydrophobicContact CE1-CD1 3.7Å; Y225-I356 HydrophobicContact CE2-CD1 4.17Å; Y225-I356 HydrophobicContact CE2-CG1 4.15Å; Y225-I356 HydrophobicContact CG-CD1 4.3Å; Y225-I356 HydrophobicContact CG-CG1 4.42Å; V350-I356 HydrophobicContact CG2-CG2 4.38Å; I356-A360 HydrophobicContact CG2-CB 3.49Å; I356-A360 VanDerWaalsContact CG2-CB 3.49Å; I356-T377 HydrophobicContact CB-CG2 4.42Å; I356-T377 HydrophobicContact CG2-CG2 3.57Å; I356-L380 HydrophobicContact CD1-CB 4.25Å; I356-R381 HydrophobicContact CB-CG 4.12Å; I356-R381 HydrophobicContact CD1-CG 4.12Å; I356-R381 PolarHBondContact O-NE 2.84Å; I356-R381 PolarHBondContact O-NH2 2.89Å
357	D	98.6	Very high	98.5	Very high	53 Å²	53	35.9 Å²	35.9	28%	0.283	20%	0.204	S	C	.	.			trans	-84.9	152.9	-176.3	-60.7	-14.8	0	0	0	109.7	K349 K351 S355 A360 T377	K349-D357 HydrophobicContact CB-CB 4.38Å; K349-D357 HydrophobicContact CD-CB 4.43Å; K349-D357 PolarHBondContact O-N 3.35Å; K351-D357 IonicContact NZ-OD1 2.81Å; K351-D357 IonicContact NZ-OD2 3.82Å; K351-D357 PolarHBondContact NZ-OD2 3.11Å; S355-D357 PolarHBondContact OG-OD1 2.72Å; D357-A360 WeakPolarHBondContact O-CB 3.4Å; D357-A360 PolarHBondContact O-N 3Å; D357-T377 WeakPolarHBondContact O-CG2 3.4Å
358	D	98.8	Very high	98.5	Very high	102 Å²	102	34.7 Å²	34.7	55%	0.545	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	144.3	177.9	-67.5	-16.7	0	0	0	110.8	R381	D358-R381 IonicContact OD1-CZ 3.96Å; D358-R381 VanDerWaalsContact OD1-CZ 3.24Å; D358-R381 IonicContact OD1-NH1 2.83Å; D358-R381 PolarHBondContact OD1-NH1 3.27Å; D358-R381 IonicContact OD1-NH2 3.72Å; D358-R381 PolarHBondContact OD1-NH2 3.05Å
359	G	98.6	Very high	98.5	Very high	19 Å²	19	33.1 Å²	33.1	20%	0.196	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-0.8	-171.6	0	0	0	0	0	115	L361 D375 T377	G359-L361 VanDerWaalsContact C-N 3.31Å; G359-L361 PolarHBondContact O-N 3.17Å; G359-D375 WeakPolarHBondContact CA-OD2 3.5Å; G359-D375 PolarHBondContact N-OD2 3.12Å; G359-T377 PolarHBondContact N-OG1 3.22Å
360	A	98.8	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-65.8	-29.1	-179.8	0	0	0	0	0	114.1	V345 D346 K349 V350 I356 D357 T377 L380	V345-A360 CarbonylContact C-O 3.2Å; V345-A360 VanDerWaalsContact CA-O 3.26Å; V345-A360 WeakPolarHBondContact CA-O 3.31Å; D346-A360 PolarHBondContact N-O 3.09Å; K349-A360 HydrophobicContact CB-CB 3.65Å; V350-A360 HydrophobicContact CG2-CB 4.02Å; I356-A360 HydrophobicContact CG2-CB 3.49Å; I356-A360 VanDerWaalsContact CG2-CB 3.49Å; D357-A360 WeakPolarHBondContact O-CB 3.4Å; D357-A360 PolarHBondContact O-N 3Å; A360-T377 HydrophobicContact CB-CG2 3.98Å; A360-T377 PolarHBondContact N-OG1 3.34Å; A360-L380 HydrophobicContact CB-CD1 4.44Å
361	L	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.2	172.2	175	62.3	0	0	0	109.9	I219 M343 V344 V345 G359 V363 Q376 T377 L380 W385	I219-L361 HydrophobicContact CD1-CD1 3.74Å; M343-L361 HydrophobicContact CB-CD1 4.1Å; V344-L361 WeakPolarHBondContact O-CA 3.3Å; V345-L361 HydrophobicContact CG2-CD1 4Å; G359-L361 VanDerWaalsContact C-N 3.31Å; G359-L361 PolarHBondContact O-N 3.17Å; L361-V363 HydrophobicContact CD1-CG2 4.39Å; L361-V363 HydrophobicContact CD2-CG2 4.39Å; L361-V363 HydrophobicContact CG-CG2 4.18Å; L361-Q376 HydrophobicContact CD2-CB 3.94Å; L361-Q376 HydrophobicContact CG-CB 4.11Å; L361-Q376 PolarHBondContact O-N 3.36Å; L361-T377 PolarHBondContact N-OG1 3.38Å; L361-L380 HydrophobicContact CB-CD1 3.71Å; L361-L380 HydrophobicContact CB-CG 3.98Å; L361-L380 HydrophobicContact CD2-CD1 4.45Å; L361-L380 HydrophobicContact CD2-CD2 3.99Å; L361-L380 HydrophobicContact CD2-CG 3.93Å; L361-W385 HydrophobicContact CD2-CB 3.71Å; L361-W385 HydrophobicContact CD2-CD2 4.05Å; L361-W385 HydrophobicContact CD2-CE3 4.21Å; L361-W385 HydrophobicContact CD2-CG 3.82Å
362	T	98.9	Very high	98.5	Very high	4 Å²	4	31 Å²	31	3%	0.025	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.8	168.9	-55.8	0	0	0	0	109.5	G323 A327 V344 V364 F373	G323-T362 WeakPolarHBondContact CA-OG1 3.18Å; A327-T362 HydrophobicContact CB-CG2 4.27Å; V344-T362 PolarHBondContact N-O 3.03Å; V344-T362 PolarHBondContact O-N 2.96Å; T362-V364 HydrophobicContact CG2-CG2 4.09Å; T362-F373 HydrophobicContact CG2-CB 4.5Å
363	V	98.9	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.9	175.3	176.9	0	0	0	0	108.6	Q341 Y342 M343 L361 F373 S374 Q376 W385 H393	Q341-V363 HydrophobicContact CG-CG1 3.7Å; Y342-V363 CarbonylContact O-C 3.59Å; Y342-V363 WeakPolarHBondContact O-CA 3.03Å; M343-V363 HydrophobicContact CG-CG2 4.34Å; L361-V363 HydrophobicContact CD1-CG2 4.39Å; L361-V363 HydrophobicContact CD2-CG2 4.39Å; L361-V363 HydrophobicContact CG-CG2 4.18Å; V363-F373 CarbonylContact O-C 3.58Å; V363-F373 WeakPolarHBondContact O-CA 3.29Å; V363-F373 WeakPolarHBondContact O-CB 3.27Å; V363-S374 PolarHBondContact N-O 3.46Å; V363-S374 PolarHBondContact O-N 3.08Å; V363-Q376 HydrophobicContact CB-CG 3.86Å; V363-Q376 HydrophobicContact CG2-CB 3.83Å; V363-Q376 HydrophobicContact CG2-CG 3.56Å; V363-W385 HydrophobicContact CB-CZ2 4.22Å; V363-W385 HydrophobicContact CG1-CH2 4.36Å; V363-W385 HydrophobicContact CG1-CZ2 3.8Å; V363-W385 HydrophobicContact CG2-CD2 4.17Å; V363-W385 HydrophobicContact CG2-CE3 4.5Å; V363-W385 HydrophobicContact CG2-CH2 3.93Å; V363-W385 HydrophobicContact CG2-CZ2 3.57Å; V363-W385 HydrophobicContact CG2-CZ3 4.39Å; V363-H393 PolarHBondContact O-CE1 2.84Å
364	V	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.8	-175.8	-173.2	0	0	0	0	109	W326 A327 F330 Q341 Y342 T362 V371 E372 F373	W326-V364 HydrophobicContact CE3-CG2 4Å; W326-V364 HydrophobicContact CZ3-CB 4.13Å; W326-V364 HydrophobicContact CZ3-CG1 4.24Å; W326-V364 HydrophobicContact CZ3-CG2 3.97Å; A327-V364 HydrophobicContact CB-CG1 4.37Å; A327-V364 HydrophobicContact CB-CG2 3.47Å; A327-V364 VanDerWaalsContact CB-CG2 3.47Å; F330-V364 HydrophobicContact CD1-CG1 3.89Å; F330-V364 HydrophobicContact CE1-CG1 4.33Å; Q341-V364 CarbonylContact C-O 3.53Å; Q341-V364 WeakPolarHBondContact CA-O 3.5Å; Y342-V364 HydrophobicContact CD2-CB 4.46Å; Y342-V364 PolarHBondContact N-O 3.2Å; Y342-V364 PolarHBondContact O-N 2.97Å; T362-V364 HydrophobicContact CG2-CG2 4.09Å; V364-V371 HydrophobicContact CG1-CG1 3.63Å; V364-E372 CarbonylContact C-O 3.25Å; V364-E372 WeakPolarHBondContact CA-O 3.4Å; V364-F373 HydrophobicContact CB-CB 4.18Å; V364-F373 HydrophobicContact CG1-CB 4.17Å; V364-F373 HydrophobicContact CG2-CB 3.83Å
365	E	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.6	179	-70.4	-173.1	145.4	0	0	111.8	N340 Q341 V371 E372 P391 F392 H393 I396	N340-E365 WeakPolarHBondContact O-CA 3.39Å; Q341-E365 HydrophobicContact CB-CG 3.81Å; Q341-E365 HydrophobicContact CG-CG 3.75Å; Q341-E365 WeakPolarHBondContact CG-OE1 3.31Å; Q341-E365 PolarHBondContact NE2-OE1 3.23Å; E365-V371 CarbonylContact O-C 3.44Å; E365-V371 VanDerWaalsContact O-CA 3.3Å; E365-V371 WeakPolarHBondContact O-CA 3.4Å; E365-E372 PolarHBondContact N-O 3.05Å; E365-E372 PolarHBondContact O-N 3.15Å; E365-P391 WeakPolarHBondContact OE1-CA 3.32Å; E365-F392 PolarHBondContact OE1-N 3.17Å; E365-F392 PolarHBondContact OE2-N 3.47Å; E365-H393 VanDerWaalsContact OE2-CB 3.22Å; E365-H393 WeakPolarHBondContact OE2-CB 3.39Å; E365-H393 IonicContact OE2-CE1 2.67Å; E365-H393 IonicContact OE2-CG 2.92Å; E365-H393 PolarHBondContact OE2-N 3.13Å; E365-H393 IonicContact OE2-ND1 3.08Å; E365-H393 PolarHBondContact OE2-ND1 3.12Å; E365-I396 HydrophobicContact CB-CB 4.47Å; E365-I396 HydrophobicContact CB-CG1 3.95Å; E365-I396 HydrophobicContact CB-CG2 4.25Å
366	Q	98.4	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.5	-178.6	177.9	-170.7	-65.5	0	0	111.7	F330 N334 T337 N339 N340 V371	F330-Q366 HydrophobicContact CE1-CB 4.12Å; F330-Q366 VanDerWaalsContact CE1-OE1 3.24Å; N334-Q366 VanDerWaalsContact OD1-CG 3.29Å; N334-Q366 WeakPolarHBondContact OD1-CG 3.26Å; N334-Q366 PolarHBondContact OD1-NE2 2.72Å; N334-Q366 PolarHBondContact OD1-OE1 3.39Å; T337-Q366 PolarHBondContact O-NE2 2.78Å; N339-Q366 WeakPolarHBondContact CB-O 3.47Å; N339-Q366 PolarHBondContact OD1-NE2 3.23Å; N339-Q366 VanDerWaalsContact OD1-NE2 3.09Å; N340-Q366 PolarHBondContact O-N 2.83Å; N340-Q366 VanDerWaalsContact O-N 3.15Å; Q366-V371 HydrophobicContact CB-CG2 4.15Å; Q366-V371 HydrophobicContact CG-CG2 4.01Å
367	I	98.4	Very high	98.7	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	172.3	158.1	57.8	176.7	0	0	0	108.8	V293 L298 N334 N339 G369 L370 I396 L399	V293-I367 HydrophobicContact CG2-CB 4.44Å; V293-I367 HydrophobicContact CG2-CG2 4.01Å; L298-I367 HydrophobicContact CD1-CD1 4.07Å; N334-I367 PolarHBondContact ND2-O 3.3Å; N339-I367 VanDerWaalsContact OD1-CA 3.31Å; N339-I367 WeakPolarHBondContact OD1-CA 3.37Å; I367-G369 PolarHBondContact O-N 2.73Å; I367-L370 HydrophobicContact CD1-CB 4.28Å; I367-L370 HydrophobicContact CD1-CD2 4.38Å; I367-L370 HydrophobicContact CG1-CB 3.86Å; I367-L370 PolarHBondContact N-O 3.22Å; I367-L370 PolarHBondContact O-N 2.67Å; I367-I396 HydrophobicContact CD1-CD1 4.1Å; I367-I396 HydrophobicContact CG1-CD1 3.93Å; I367-I396 HydrophobicContact CG2-CG2 3.7Å; I367-L399 HydrophobicContact CD1-CB 3.65Å; I367-L399 HydrophobicContact CD1-CD1 4.2Å
368	P	98	Very high	98.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.013	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	125.5	170.5	-21.1	28.6	0	0	0	112.1	L298 F299 Q301 I302 G336 L370	L298-P368 HydrophobicContact CB-CB 4.03Å; L298-P368 HydrophobicContact CB-CG 3.95Å; L298-P368 WeakPolarHBondContact O-CB 3.42Å; F299-P368 HydrophobicContact CD1-CG 4.02Å; F299-P368 HydrophobicContact CE1-CG 4.38Å; Q301-P368 HydrophobicContact CB-CB 4.29Å; Q301-P368 PolarHBondContact NE2-O 3.43Å; I302-P368 HydrophobicContact CG1-CB 4.49Å; I302-P368 HydrophobicContact CG1-CG 4.46Å; G336-P368 VanDerWaalsContact CA-CA 3.49Å; G336-P368 WeakPolarHBondContact O-CG 2.93Å; P368-L370 VanDerWaalsContact C-N 3.32Å; P368-L370 PolarHBondContact O-N 2.66Å
369	G	97.4	Very high	98.6	Very high	54 Å²	54	26.7 Å²	26.7	56%	0.557	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	-9.9	178.2	0	0	0	0	0	116.2	Q301 I367	Q301-G369 VanDerWaalsContact OE1-CA 3.27Å; I367-G369 PolarHBondContact O-N 2.73Å
370	L	98.4	Very high	98.6	Very high	57 Å²	57	25.8 Å²	25.8	30%	0.298	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.3	-176.7	-179.3	62.9	0	0	0	112.1	I367 P368 I396 L399	I367-L370 HydrophobicContact CD1-CB 4.28Å; I367-L370 HydrophobicContact CD1-CD2 4.38Å; I367-L370 HydrophobicContact CG1-CB 3.86Å; I367-L370 PolarHBondContact N-O 3.22Å; I367-L370 PolarHBondContact O-N 2.67Å; P368-L370 VanDerWaalsContact C-N 3.32Å; P368-L370 PolarHBondContact O-N 2.66Å; L370-I396 HydrophobicContact CD2-CD1 3.77Å; L370-I396 HydrophobicContact CG-CD1 3.93Å; L370-L399 HydrophobicContact CD2-CD1 3.76Å
371	V	98.8	Very high	98.5	Very high	26 Å²	26	29 Å²	29	16%	0.158	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127	163	-178.6	0	0	0	0	107.5	F330 S331 N334 V364 E365 Q366	F330-V371 HydrophobicContact CD1-CG1 4.25Å; F330-V371 HydrophobicContact CE1-CG1 4.48Å; S331-V371 VanDerWaalsContact OG-CG1 3.26Å; S331-V371 WeakPolarHBondContact OG-CG1 3.39Å; N334-V371 HydrophobicContact CB-CG2 4.12Å; V364-V371 HydrophobicContact CG1-CG1 3.63Å; E365-V371 CarbonylContact O-C 3.44Å; E365-V371 VanDerWaalsContact O-CA 3.3Å; E365-V371 WeakPolarHBondContact O-CA 3.4Å; Q366-V371 HydrophobicContact CB-CG2 4.15Å; Q366-V371 HydrophobicContact CG-CG2 4.01Å
372	E	98.8	Very high	98.5	Very high	50 Å²	50	33.8 Å²	33.8	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.4	174.4	-168	170.6	151.1	0	0	108.8	V364 E365 H393 N395 I396	V364-E372 CarbonylContact C-O 3.25Å; V364-E372 WeakPolarHBondContact CA-O 3.4Å; E365-E372 PolarHBondContact N-O 3.05Å; E365-E372 PolarHBondContact O-N 3.15Å; E372-H393 HydrophobicContact CB-CB 4.44Å; E372-H393 HydrophobicContact CG-CB 4.23Å; E372-H393 IonicContact OE1-CD2 3.61Å; E372-H393 PolarHBondContact OE1-CD2 2.72Å; E372-H393 IonicContact OE1-CG 2.71Å; E372-N395 WeakPolarHBondContact OE2-CB 3.39Å; E372-N395 PolarHBondContact OE2-ND2 3.48Å; E372-I396 HydrophobicContact CB-CD1 4.1Å; E372-I396 HydrophobicContact CB-CG1 4Å
373	F	98.9	Very high	98.4	Very high	70 Å²	70	34.3 Å²	34.3	31%	0.307	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.3	175.8	61	-92.1	0	0	0	111.9	E324 A327 K328 T362 V363 V364	E324-F373 HydrophobicContact CG-CE2 4.05Å; A327-F373 HydrophobicContact CB-CB 3.73Å; A327-F373 HydrophobicContact CB-CD1 3.67Å; A327-F373 HydrophobicContact CB-CD2 3.66Å; A327-F373 HydrophobicContact CB-CE1 4.15Å; A327-F373 HydrophobicContact CB-CE2 4.14Å; A327-F373 HydrophobicContact CB-CG 3.4Å; A327-F373 VanDerWaalsContact CB-CG 3.4Å; A327-F373 HydrophobicContact CB-CZ 4.37Å; K328-F373 HydrophobicContact CG-CZ 3.93Å; T362-F373 HydrophobicContact CG2-CB 4.5Å; V363-F373 CarbonylContact O-C 3.58Å; V363-F373 WeakPolarHBondContact O-CA 3.29Å; V363-F373 WeakPolarHBondContact O-CB 3.27Å; V364-F373 HydrophobicContact CB-CB 4.18Å; V364-F373 HydrophobicContact CG1-CB 4.17Å; V364-F373 HydrophobicContact CG2-CB 3.83Å
374	S	98.9	Very high	98.4	Very high	32 Å²	32	36.2 Å²	36.2	22%	0.224	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.9	179.1	60	0	0	0	0	112.1	V363 Q376 H393	V363-S374 PolarHBondContact N-O 3.46Å; V363-S374 PolarHBondContact O-N 3.08Å; S374-Q376 PolarHBondContact OG-NE2 2.04Å; S374-H393 PolarHBondContact OG-NE2 2.61Å
375	D	98.9	Very high	98.4	Very high	72 Å²	72	36.6 Å²	36.6	39%	0.385	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	120.9	169.8	-177	-9.3	0	0	0	109.8	G359 T377	G359-D375 WeakPolarHBondContact CA-OD2 3.5Å; G359-D375 PolarHBondContact N-OD2 3.12Å; D375-T377 WeakPolarHBondContact OD1-CB 3.41Å; D375-T377 PolarHBondContact OD1-N 3.32Å; D375-T377 PolarHBondContact OD1-OG1 2.9Å
376	Q	98.8	Very high	98.4	Very high	34 Å²	34	37.4 Å²	37.4	16%	0.159	21%	0.214	C	C	.	.			trans	-114.1	23.8	179.5	-63.3	-58.2	-39.8	0	0	112.5	L361 V363 S374 Q378 A379 W385 F392	L361-Q376 HydrophobicContact CD2-CB 3.94Å; L361-Q376 HydrophobicContact CG-CB 4.11Å; L361-Q376 PolarHBondContact O-N 3.36Å; V363-Q376 HydrophobicContact CB-CG 3.86Å; V363-Q376 HydrophobicContact CG2-CB 3.83Å; V363-Q376 HydrophobicContact CG2-CG 3.56Å; S374-Q376 PolarHBondContact OG-NE2 2.04Å; Q376-Q378 PolarHBondContact O-N 2.67Å; Q376-Q378 VanDerWaalsContact O-N 3.09Å; Q376-A379 WeakPolarHBondContact O-CB 3.4Å; Q376-A379 PolarHBondContact O-N 2.96Å; Q376-W385 HydrophobicContact CB-CE3 3.94Å; Q376-W385 HydrophobicContact CB-CH2 4.32Å; Q376-W385 HydrophobicContact CB-CZ3 3.69Å; Q376-W385 HydrophobicContact CG-CE3 4.3Å; Q376-W385 HydrophobicContact CG-CH2 3.77Å; Q376-W385 HydrophobicContact CG-CZ3 3.57Å; Q376-F392 HydrophobicContact CG-CE1 4.28Å; Q376-F392 VanDerWaalsContact NE2-CE1 3.3Å
377	T	98.9	Very high	98.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-52.9	-32.6	176.3	-62.6	0	0	0	0	112.8	I356 D357 G359 A360 L361 D375 A379 L380 R381	I356-T377 HydrophobicContact CB-CG2 4.42Å; I356-T377 HydrophobicContact CG2-CG2 3.57Å; D357-T377 WeakPolarHBondContact O-CG2 3.4Å; G359-T377 PolarHBondContact N-OG1 3.22Å; A360-T377 HydrophobicContact CB-CG2 3.98Å; A360-T377 PolarHBondContact N-OG1 3.34Å; L361-T377 PolarHBondContact N-OG1 3.38Å; D375-T377 WeakPolarHBondContact OD1-CB 3.41Å; D375-T377 PolarHBondContact OD1-N 3.32Å; D375-T377 PolarHBondContact OD1-OG1 2.9Å; T377-A379 PolarHBondContact O-N 3.25Å; T377-L380 WeakPolarHBondContact O-CB 3.13Å; T377-L380 PolarHBondContact O-N 3.04Å; T377-L380 VanDerWaalsContact O-N 3.09Å; T377-R381 PolarHBondContact O-N 3.42Å
378	Q	98.6	Very high	98.3	Very high	119 Å²	119	37.6 Å²	37.6	56%	0.556	22%	0.215	S	C	*	.	H	α-helix	trans	-60.5	-31.3	176.6	-66.7	-64.7	-3.1	0	0	113.4	Q376 R381 S382	Q376-Q378 PolarHBondContact O-N 2.67Å; Q376-Q378 VanDerWaalsContact O-N 3.09Å; Q378-R381 VanDerWaalsContact CD-NH1 3.27Å; Q378-R381 PolarHBondContact O-N 3.36Å; Q378-S382 WeakPolarHBondContact O-CB 3.31Å; Q378-S382 PolarHBondContact O-N 3.33Å; Q378-S382 PolarHBondContact O-OG 2.93Å
379	A	97.9	Very high	98.2	Very high	19 Å²	19	37.5 Å²	37.5	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-38.1	175.5	0	0	0	0	0	111.6	Q376 T377 S382 G383 H384 W385	Q376-A379 WeakPolarHBondContact O-CB 3.4Å; Q376-A379 PolarHBondContact O-N 2.96Å; T377-A379 PolarHBondContact O-N 3.25Å; A379-S382 CarbonylContact O-C 3.52Å; A379-S382 WeakPolarHBondContact O-CA 3.11Å; A379-S382 WeakPolarHBondContact O-CB 3.3Å; A379-S382 PolarHBondContact O-N 3.21Å; A379-S382 VanDerWaalsContact O-N 3.13Å; A379-G383 PolarHBondContact O-N 2.87Å; A379-H384 PolarHBondContact O-N 3.09Å; A379-H384 VanDerWaalsContact O-N 3.14Å; A379-W385 HydrophobicContact CB-CE3 3.6Å; A379-W385 HydrophobicContact CB-CZ3 4.2Å
380	L	97	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-42	173.5	-63.9	-170.3	0	0	0	111.9	I219 M221 L228 I356 A360 L361 T377 S382 G383	I219-L380 HydrophobicContact CB-CD2 4.2Å; I219-L380 HydrophobicContact CG2-CD2 3.63Å; M221-L380 VanDerWaalsContact CB-O 3.31Å; M221-L380 WeakPolarHBondContact CB-O 3.34Å; L228-L380 HydrophobicContact CD1-CD1 4.27Å; I356-L380 HydrophobicContact CD1-CB 4.25Å; A360-L380 HydrophobicContact CB-CD1 4.44Å; L361-L380 HydrophobicContact CB-CD1 3.71Å; L361-L380 HydrophobicContact CB-CG 3.98Å; L361-L380 HydrophobicContact CD2-CD1 4.45Å; L361-L380 HydrophobicContact CD2-CD2 3.99Å; L361-L380 HydrophobicContact CD2-CG 3.93Å; T377-L380 WeakPolarHBondContact O-CB 3.13Å; T377-L380 PolarHBondContact O-N 3.04Å; T377-L380 VanDerWaalsContact O-N 3.09Å; L380-S382 PolarHBondContact O-N 3.39Å; L380-G383 WeakPolarHBondContact O-CA 3.35Å; L380-G383 PolarHBondContact O-N 2.83Å
381	R	98.4	Very high	98.1	Very high	68 Å²	68	32.4 Å²	32.4	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-60.5	-31.2	172.2	-65.5	174.7	-175.4	137.3	2.3	112.1	I356 D358 T377 Q378 G383	I356-R381 HydrophobicContact CB-CG 4.12Å; I356-R381 HydrophobicContact CD1-CG 4.12Å; I356-R381 PolarHBondContact O-NE 2.84Å; I356-R381 PolarHBondContact O-NH2 2.89Å; D358-R381 IonicContact OD1-CZ 3.96Å; D358-R381 VanDerWaalsContact OD1-CZ 3.24Å; D358-R381 IonicContact OD1-NH1 2.83Å; D358-R381 PolarHBondContact OD1-NH1 3.27Å; D358-R381 IonicContact OD1-NH2 3.72Å; D358-R381 PolarHBondContact OD1-NH2 3.05Å; T377-R381 PolarHBondContact O-N 3.42Å; Q378-R381 VanDerWaalsContact CD-NH1 3.27Å; Q378-R381 PolarHBondContact O-N 3.36Å; R381-G383 VanDerWaalsContact C-N 3.28Å
382	S	97.4	Very high	98.1	Very high	100 Å²	100	34.3 Å²	34.3	70%	0.699	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.2	174.5	-54.7	0	0	0	0	113.4	Q378 A379 L380	Q378-S382 WeakPolarHBondContact O-CB 3.31Å; Q378-S382 PolarHBondContact O-N 3.33Å; Q378-S382 PolarHBondContact O-OG 2.93Å; A379-S382 CarbonylContact O-C 3.52Å; A379-S382 WeakPolarHBondContact O-CA 3.11Å; A379-S382 WeakPolarHBondContact O-CB 3.3Å; A379-S382 PolarHBondContact O-N 3.21Å; A379-S382 VanDerWaalsContact O-N 3.13Å; L380-S382 PolarHBondContact O-N 3.39Å
383	G	98.1	Very high	98.1	Very high	14 Å²	14	32.3 Å²	32.3	14%	0.144	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.1	-22	168.3	0	0	0	0	0	115.7	K220 M221 A379 L380 R381	K220-G383 WeakPolarHBondContact CD-O 3.46Å; M221-G383 PolarHBondContact N-O 2.85Å; A379-G383 PolarHBondContact O-N 2.87Å; L380-G383 WeakPolarHBondContact O-CA 3.35Å; L380-G383 PolarHBondContact O-N 2.83Å; R381-G383 VanDerWaalsContact C-N 3.28Å
384	H	98.6	Very high	98.1	Very high	40 Å²	40	38.2 Å²	38.2	19%	0.185	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	159.9	179.1	74.8	-56.5	0	0	0	114.7	L218 I219 K220 A379	L218-H384 HydrophobicContact CD1-CB 4.1Å; I219-H384 CarbonylContact O-C 3.46Å; I219-H384 WeakPolarHBondContact O-CA 2.9Å; I219-H384 WeakPolarHBondContact O-CB 3.29Å; K220-H384 HydrophobicContact CD-CB 4.16Å; A379-H384 PolarHBondContact O-N 3.09Å; A379-H384 VanDerWaalsContact O-N 3.14Å
385	W	98.9	Very high	98	Very high	8 Å²	8	40.8 Å²	40.8	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114	163.8	-178.7	-88	0	0	0	110	I219 M343 L361 V363 Q376 A379 F392	I219-W385 HydrophobicContact CB-CB 4.31Å; I219-W385 PolarHBondContact N-O 3.1Å; I219-W385 PolarHBondContact O-N 2.99Å; M343-W385 VanDerWaalsContact SD-CD1 3.53Å; L361-W385 HydrophobicContact CD2-CB 3.71Å; L361-W385 HydrophobicContact CD2-CD2 4.05Å; L361-W385 HydrophobicContact CD2-CE3 4.21Å; L361-W385 HydrophobicContact CD2-CG 3.82Å; V363-W385 HydrophobicContact CB-CZ2 4.22Å; V363-W385 HydrophobicContact CG1-CH2 4.36Å; V363-W385 HydrophobicContact CG1-CZ2 3.8Å; V363-W385 HydrophobicContact CG2-CD2 4.17Å; V363-W385 HydrophobicContact CG2-CE3 4.5Å; V363-W385 HydrophobicContact CG2-CH2 3.93Å; V363-W385 HydrophobicContact CG2-CZ2 3.57Å; V363-W385 HydrophobicContact CG2-CZ3 4.39Å; Q376-W385 HydrophobicContact CB-CE3 3.94Å; Q376-W385 HydrophobicContact CB-CH2 4.32Å; Q376-W385 HydrophobicContact CB-CZ3 3.69Å; Q376-W385 HydrophobicContact CG-CE3 4.3Å; Q376-W385 HydrophobicContact CG-CH2 3.77Å; Q376-W385 HydrophobicContact CG-CZ3 3.57Å; A379-W385 HydrophobicContact CB-CE3 3.6Å; A379-W385 HydrophobicContact CB-CZ3 4.2Å; W385-F392 HydrophobicContact CH2-CB 4.18Å; W385-F392 AromaticContact CH2-CD1 3.7Å; W385-F392 HydrophobicContact CH2-CD1 3.7Å; W385-F392 AromaticContact CH2-CD2 3.66Å; W385-F392 HydrophobicContact CH2-CD2 3.66Å; W385-F392 AromaticContact CH2-CE1 3.92Å; W385-F392 HydrophobicContact CH2-CE1 3.92Å; W385-F392 AromaticContact CH2-CE2 3.87Å; W385-F392 HydrophobicContact CH2-CE2 3.87Å; W385-F392 AromaticContact CH2-CG 3.55Å; W385-F392 HydrophobicContact CH2-CG 3.55Å; W385-F392 AromaticContact CH2-CZ 3.99Å; W385-F392 HydrophobicContact CH2-CZ 3.99Å; W385-F392 HydrophobicContact CZ2-CB 4.19Å; W385-F392 HydrophobicContact CZ2-CD1 4.35Å; W385-F392 HydrophobicContact CZ2-CD2 4.41Å; W385-F392 HydrophobicContact CZ2-CG 4.05Å; W385-F392 HydrophobicContact CZ3-CD2 4.45Å; W385-F392 HydrophobicContact CZ3-CE2 4.29Å; W385-F392 HydrophobicContact CZ3-CZ 4.36Å
386	P	98.6	Very high	98	Very high	18 Å²	18	37.4 Å²	37.4	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	153.7	171.9	36.2	-31.5	0	0	0	111.7	L218 Y388 F424	L218-P386 HydrophobicContact CD1-CB 4.38Å; P386-Y388 HydrophobicContact CB-CD1 4.12Å; P386-Y388 HydrophobicContact CB-CE1 3.83Å; P386-Y388 HydrophobicContact CG-CE1 3.86Å; P386-F424 HydrophobicContact CB-CB 4.01Å; P386-F424 HydrophobicContact CB-CD2 3.76Å; P386-F424 HydrophobicContact CB-CE2 4.32Å; P386-F424 HydrophobicContact CB-CG 3.91Å
387	S	98.6	Very high	98	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138	172.2	-168.2	0	0	0	0	111.5	S216 A217 T289 Q341 M343	S216-S387 WeakPolarHBondContact CA-O 3.07Å; A217-S387 PolarHBondContact N-O 2.98Å; A217-S387 PolarHBondContact O-N 2.65Å; T289-S387 WeakPolarHBondContact CG2-OG 3.09Å; T289-S387 PolarHBondContact OG1-OG 2.95Å; Q341-S387 VanDerWaalsContact OE1-CB 3.28Å; Q341-S387 PolarHBondContact OE1-OG 3.02Å; M343-S387 WeakPolarHBondContact SD-CB 3.37Å
388	Y	97.1	Very high	97.9	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.02	21%	0.205	C	C	.	.			trans	-159.7	40.6	-164.9	42.1	-105	0	0	0	113.8	P386 I390 Y415 R420 A421 F424	P386-Y388 HydrophobicContact CB-CD1 4.12Å; P386-Y388 HydrophobicContact CB-CE1 3.83Å; P386-Y388 HydrophobicContact CG-CE1 3.86Å; Y388-I390 VanDerWaalsContact C-N 3.33Å; Y388-I390 HydrophobicContact CD2-CB 4.33Å; Y388-I390 HydrophobicContact CD2-CD1 4.41Å; Y388-I390 HydrophobicContact CD2-CG1 4.29Å; Y388-I390 HydrophobicContact CE2-CB 4.35Å; Y388-I390 PolarHBondContact O-N 3.41Å; Y388-Y415 HydrophobicContact CE2-CD2 4.11Å; Y388-Y415 HydrophobicContact CE2-CE2 4.16Å; Y388-Y415 WeakPolarHBondContact CE2-O 3.41Å; Y388-Y415 VanDerWaalsContact CZ-O 3.31Å; Y388-Y415 PolarHBondContact OH-O 3.42Å; Y388-R420 HydrophobicContact CG-CB 4.16Å; Y388-R420 PolarHBondContact O-NH2 2.99Å; Y388-A421 HydrophobicContact CE1-CB 3.91Å; Y388-A421 HydrophobicContact CE2-CB 3.9Å; Y388-A421 WeakPolarHBondContact OH-CB 3.5Å; Y388-F424 AromaticContact CD1-CD2 3.84Å; Y388-F424 HydrophobicContact CD1-CD2 3.84Å; Y388-F424 HydrophobicContact CD1-CE2 4.12Å; Y388-F424 HydrophobicContact CE1-CD2 4.41Å
389	N	95.3	Very high	97.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	66.2	24.4	172	-44.6	114.1	0	0	0	116.3	G213 H214 C215 T289 T290 Y402 R420	G213-N389 VanDerWaalsContact C-CG 3.41Å; G213-N389 VanDerWaalsContact CA-CG 3.44Å; G213-N389 WeakPolarHBondContact CA-OD1 3.26Å; G213-N389 PolarHBondContact O-OD1 3.01Å; H214-N389 VanDerWaalsContact N-CG 3.32Å; H214-N389 PolarHBondContact N-ND2 3.41Å; H214-N389 PolarHBondContact N-OD1 2.79Å; C215-N389 PolarHBondContact N-ND2 3.09Å; C215-N389 PolarHBondContact N-OD1 3.47Å; C215-N389 PolarHBondContact O-OD1 2.88Å; T289-N389 PolarHBondContact OG1-N 3.17Å; T289-N389 VanDerWaalsContact OG1-N 3.15Å; T290-N389 PolarHBondContact N-ND2 3.16Å; T290-N389 VanDerWaalsContact O-CA 3.29Å; T290-N389 WeakPolarHBondContact O-CA 3.45Å; T290-N389 WeakPolarHBondContact O-CB 3.37Å; T290-N389 VanDerWaalsContact O-CG 3.31Å; T290-N389 PolarHBondContact O-ND2 2.88Å; N389-Y402 PolarHBondContact O-OH 3.05Å; N389-R420 VanDerWaalsContact OD1-CZ 3.27Å; N389-R420 PolarHBondContact OD1-NH1 2.98Å; N389-R420 PolarHBondContact OD1-NH2 2.71Å
390	I	96.4	Very high	97.8	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	19%	0.19	C	C	.	.	S	Bend	trans	-126.7	128.8	171.4	-54.4	-178	0	0	0	107.4	N291 Y388 F392 Y397 Y402 S414 Y415 C418	N291-I390 VanDerWaalsContact OD1-C 3.3Å; N291-I390 PolarHBondContact OD1-N 3.28Å; Y388-I390 VanDerWaalsContact C-N 3.33Å; Y388-I390 HydrophobicContact CD2-CB 4.33Å; Y388-I390 HydrophobicContact CD2-CD1 4.41Å; Y388-I390 HydrophobicContact CD2-CG1 4.29Å; Y388-I390 HydrophobicContact CE2-CB 4.35Å; Y388-I390 PolarHBondContact O-N 3.41Å; I390-F392 PolarHBondContact O-N 3.34Å; I390-Y397 HydrophobicContact CG2-CD2 3.86Å; I390-Y397 HydrophobicContact CG2-CE2 3.7Å; I390-Y402 HydrophobicContact CB-CE1 4.17Å; I390-Y402 HydrophobicContact CG1-CE1 4Å; I390-Y402 HydrophobicContact CG2-CD1 3.85Å; I390-Y402 HydrophobicContact CG2-CE1 3.87Å; I390-S414 VanDerWaalsContact CD1-O 3.28Å; I390-S414 WeakPolarHBondContact CD1-O 3.42Å; I390-Y415 HydrophobicContact CB-CD2 4.18Å; I390-Y415 HydrophobicContact CG2-CD2 4.06Å; I390-Y415 WeakPolarHBondContact O-CD2 3.31Å; I390-Y415 WeakPolarHBondContact O-CE2 3.29Å; I390-C418 HydrophobicContact CD1-CB 3.62Å
391	P	97.6	Very high	97.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	19%	0.193	C	C	.	.			trans	-62.1	136.4	-177.7	-20.2	27.5	0	0	0	112.8	N291 E365 I396 Y402 Y415	N291-P391 HydrophobicContact CB-CG 3.99Å; E365-P391 WeakPolarHBondContact OE1-CA 3.32Å; P391-I396 HydrophobicContact CB-CB 4.04Å; P391-I396 HydrophobicContact CB-CG2 3.63Å; P391-I396 HydrophobicContact CG-CG2 3.92Å; P391-Y402 HydrophobicContact CG-CD2 4.01Å; P391-Y402 HydrophobicContact CG-CE2 3.65Å; P391-Y415 VanDerWaalsContact O-CD2 3.31Å; P391-Y415 WeakPolarHBondContact O-CD2 3.19Å
392	F	98.6	Very high	97.6	Very high	66 Å²	66	35.6 Å²	35.6	29%	0.289	18%	0.181	S	C	.	.			trans	-81.6	-46.4	174.8	164.5	-104.5	0	0	0	111.7	E365 Q376 W385 I390 R394 Y415	E365-F392 PolarHBondContact OE1-N 3.17Å; E365-F392 PolarHBondContact OE2-N 3.47Å; Q376-F392 HydrophobicContact CG-CE1 4.28Å; Q376-F392 VanDerWaalsContact NE2-CE1 3.3Å; W385-F392 HydrophobicContact CH2-CB 4.18Å; W385-F392 AromaticContact CH2-CD1 3.7Å; W385-F392 HydrophobicContact CH2-CD1 3.7Å; W385-F392 AromaticContact CH2-CD2 3.66Å; W385-F392 HydrophobicContact CH2-CD2 3.66Å; W385-F392 AromaticContact CH2-CE1 3.92Å; W385-F392 HydrophobicContact CH2-CE1 3.92Å; W385-F392 AromaticContact CH2-CE2 3.87Å; W385-F392 HydrophobicContact CH2-CE2 3.87Å; W385-F392 AromaticContact CH2-CG 3.55Å; W385-F392 HydrophobicContact CH2-CG 3.55Å; W385-F392 AromaticContact CH2-CZ 3.99Å; W385-F392 HydrophobicContact CH2-CZ 3.99Å; W385-F392 HydrophobicContact CZ2-CB 4.19Å; W385-F392 HydrophobicContact CZ2-CD1 4.35Å; W385-F392 HydrophobicContact CZ2-CD2 4.41Å; W385-F392 HydrophobicContact CZ2-CG 4.05Å; W385-F392 HydrophobicContact CZ3-CD2 4.45Å; W385-F392 HydrophobicContact CZ3-CE2 4.29Å; W385-F392 HydrophobicContact CZ3-CZ 4.36Å; I390-F392 PolarHBondContact O-N 3.34Å; F392-R394 PolarHBondContact O-N 3Å; F392-Y415 HydrophobicContact CB-CE2 3.75Å; F392-Y415 HydrophobicContact CD2-CE1 4.07Å; F392-Y415 HydrophobicContact CD2-CE2 4.39Å; F392-Y415 AromaticContact CD2-CZ 3.75Å; F392-Y415 WeakPolarHBondContact CD2-OH 3.19Å
393	H	98.8	Very high	97.5	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.037	16%	0.164	C	C	.	.	S	Bend	trans	-68.6	124	-178.7	-62	94.7	0	0	0	109.1	V363 E365 E372 S374 N395 I396 Y397	V363-H393 PolarHBondContact O-CE1 2.84Å; E365-H393 VanDerWaalsContact OE2-CB 3.22Å; E365-H393 WeakPolarHBondContact OE2-CB 3.39Å; E365-H393 IonicContact OE2-CE1 2.67Å; E365-H393 IonicContact OE2-CG 2.92Å; E365-H393 PolarHBondContact OE2-N 3.13Å; E365-H393 IonicContact OE2-ND1 3.08Å; E365-H393 PolarHBondContact OE2-ND1 3.12Å; E372-H393 HydrophobicContact CB-CB 4.44Å; E372-H393 HydrophobicContact CG-CB 4.23Å; E372-H393 IonicContact OE1-CD2 3.61Å; E372-H393 PolarHBondContact OE1-CD2 2.72Å; E372-H393 IonicContact OE1-CG 2.71Å; S374-H393 PolarHBondContact OG-NE2 2.61Å; H393-N395 VanDerWaalsContact C-N 3.27Å; H393-N395 PolarHBondContact O-N 3.28Å; H393-I396 HydrophobicContact CB-CB 4.28Å; H393-I396 HydrophobicContact CB-CG1 3.91Å; H393-I396 WeakPolarHBondContact O-CB 3.11Å; H393-I396 PolarHBondContact O-N 2.84Å; H393-Y397 PolarHBondContact O-N 3.22Å
394	R	98.1	Very high	97.3	Very high	193 Å²	193	38.9 Å²	38.9	73%	0.728	19%	0.19	S	C	*	.	H	α-helix	trans	-57.2	-38.7	-172.5	-178.8	174.5	179.4	165.2	1.4	113	F392 Y397 I398	F392-R394 PolarHBondContact O-N 3Å; R394-Y397 PolarHBondContact O-N 2.79Å; R394-I398 HydrophobicContact CG-CD1 3.77Å; R394-I398 HydrophobicContact CG-CG1 4.44Å; R394-I398 WeakPolarHBondContact O-CB 3.47Å; R394-I398 VanDerWaalsContact O-CG1 3.29Å; R394-I398 WeakPolarHBondContact O-CG1 3.18Å; R394-I398 PolarHBondContact O-N 2.78Å
395	N	98.1	Very high	97	Very high	87 Å²	87	37.9 Å²	37.9	47%	0.465	19%	0.186	S	C	.	.	H	α-helix	trans	-66.4	-44	179	-59	-37.4	0	0	0	110.9	E372 H393 I398 L399	E372-N395 WeakPolarHBondContact OE2-CB 3.39Å; E372-N395 PolarHBondContact OE2-ND2 3.48Å; H393-N395 VanDerWaalsContact C-N 3.27Å; H393-N395 PolarHBondContact O-N 3.28Å; N395-I398 PolarHBondContact O-N 3.38Å; N395-L399 VanDerWaalsContact O-CB 3.3Å; N395-L399 WeakPolarHBondContact O-CB 3.24Å; N395-L399 VanDerWaalsContact O-CG 3.27Å; N395-L399 WeakPolarHBondContact O-CG 3.38Å; N395-L399 PolarHBondContact O-N 2.74Å
396	I	98.6	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-48.8	176.7	-57.8	-66.3	0	0	0	110	E365 I367 L370 E372 P391 H393 I398 L399 S400	E365-I396 HydrophobicContact CB-CB 4.47Å; E365-I396 HydrophobicContact CB-CG1 3.95Å; E365-I396 HydrophobicContact CB-CG2 4.25Å; I367-I396 HydrophobicContact CD1-CD1 4.1Å; I367-I396 HydrophobicContact CG1-CD1 3.93Å; I367-I396 HydrophobicContact CG2-CG2 3.7Å; L370-I396 HydrophobicContact CD2-CD1 3.77Å; L370-I396 HydrophobicContact CG-CD1 3.93Å; E372-I396 HydrophobicContact CB-CD1 4.1Å; E372-I396 HydrophobicContact CB-CG1 4Å; P391-I396 HydrophobicContact CB-CB 4.04Å; P391-I396 HydrophobicContact CB-CG2 3.63Å; P391-I396 HydrophobicContact CG-CG2 3.92Å; H393-I396 HydrophobicContact CB-CB 4.28Å; H393-I396 HydrophobicContact CB-CG1 3.91Å; H393-I396 WeakPolarHBondContact O-CB 3.11Å; H393-I396 PolarHBondContact O-N 2.84Å; I396-I398 PolarHBondContact O-N 3.35Å; I396-L399 PolarHBondContact O-N 3.22Å; I396-S400 VanDerWaalsContact O-CB 3.28Å; I396-S400 WeakPolarHBondContact O-CB 3.17Å; I396-S400 PolarHBondContact O-N 3.15Å; I396-S400 PolarHBondContact O-OG 2.73Å
397	Y	98.4	Very high	96.6	Very high	28 Å²	28	47.6 Å²	47.6	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-54.5	-47.7	177	-178.6	-83.3	0	0	0	112.5	I390 H393 R394 S400 Y402 F413	I390-Y397 HydrophobicContact CG2-CD2 3.86Å; I390-Y397 HydrophobicContact CG2-CE2 3.7Å; H393-Y397 PolarHBondContact O-N 3.22Å; R394-Y397 PolarHBondContact O-N 2.79Å; Y397-S400 PolarHBondContact O-OG 3.31Å; Y397-Y402 HydrophobicContact CD2-CD1 4.47Å; Y397-Y402 HydrophobicContact CD2-CG 4.07Å; Y397-Y402 HydrophobicContact CE2-CD1 4.13Å; Y397-Y402 AromaticContact CE2-CG 3.99Å; Y397-Y402 HydrophobicContact CE2-CG 3.99Å; Y397-Y402 VanDerWaalsContact CZ-CB 3.41Å; Y397-Y402 PolarHBondContact O-N 2.77Å; Y397-Y402 VanDerWaalsContact O-N 3.14Å; Y397-Y402 PolarHBondContact OH-O 3.23Å; Y397-F413 WeakPolarHBondContact CE2-O 3.2Å; Y397-F413 PolarHBondContact OH-O 3.2Å; Y397-F413 VanDerWaalsContact OH-O 3.12Å
398	I	97.5	Very high	96.4	Very high	93 Å²	93	53.9 Å²	53.9	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-69.2	-52.5	-178.5	-68.8	170.3	0	0	0	110.8	R394 N395 I396 S400 G401	R394-I398 HydrophobicContact CG-CD1 3.77Å; R394-I398 HydrophobicContact CG-CG1 4.44Å; R394-I398 WeakPolarHBondContact O-CB 3.47Å; R394-I398 VanDerWaalsContact O-CG1 3.29Å; R394-I398 WeakPolarHBondContact O-CG1 3.18Å; R394-I398 PolarHBondContact O-N 2.78Å; N395-I398 PolarHBondContact O-N 3.38Å; I396-I398 PolarHBondContact O-N 3.35Å; I398-S400 VanDerWaalsContact C-N 3.3Å; I398-S400 PolarHBondContact O-N 3.22Å; I398-G401 PolarHBondContact O-N 3.26Å
399	L	98.1	Very high	96	Very high	78 Å²	78	58 Å²	58	41%	0.408	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-33.3	-173.5	-70	172.6	0	0	0	112.6	N295 L298 I367 L370 N395 I396 G401	N295-L399 VanDerWaalsContact CB-O 3.25Å; N295-L399 WeakPolarHBondContact CB-O 3.36Å; N295-L399 PolarHBondContact ND2-O 3.14Å; L298-L399 WeakPolarHBondContact CD1-O 3.29Å; I367-L399 HydrophobicContact CD1-CB 3.65Å; I367-L399 HydrophobicContact CD1-CD1 4.2Å; L370-L399 HydrophobicContact CD2-CD1 3.76Å; N395-L399 VanDerWaalsContact O-CB 3.3Å; N395-L399 WeakPolarHBondContact O-CB 3.24Å; N395-L399 VanDerWaalsContact O-CG 3.27Å; N395-L399 WeakPolarHBondContact O-CG 3.38Å; N395-L399 PolarHBondContact O-N 2.74Å; I396-L399 PolarHBondContact O-N 3.22Å; L399-G401 PolarHBondContact O-N 3.15Å
400	S	96.3	Very high	95.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.1	175.4	57	0	0	0	0	114	F294 N295 I396 Y397 I398 Y402	F294-S400 WeakPolarHBondContact CA-O 3.44Å; F294-S400 WeakPolarHBondContact CB-O 3.37Å; F294-S400 PolarHBondContact N-O 2.83Å; N295-S400 PolarHBondContact N-O 2.97Å; I396-S400 VanDerWaalsContact O-CB 3.28Å; I396-S400 WeakPolarHBondContact O-CB 3.17Å; I396-S400 PolarHBondContact O-N 3.15Å; I396-S400 PolarHBondContact O-OG 2.73Å; Y397-S400 PolarHBondContact O-OG 3.31Å; I398-S400 VanDerWaalsContact C-N 3.3Å; I398-S400 PolarHBondContact O-N 3.22Å; S400-Y402 VanDerWaalsContact OG-CD2 3.26Å; S400-Y402 WeakPolarHBondContact OG-CD2 3.4Å
401	G	96	Very high	95.8	Very high	5 Å²	5	63.4 Å²	63.4	5%	0.052	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	10.3	172.3	0	0	0	0	0	115.7	I398 L399 G403 E404 M405	I398-G401 PolarHBondContact O-N 3.26Å; L399-G401 PolarHBondContact O-N 3.15Å; G401-G403 PolarHBondContact O-N 3.19Å; G401-E404 PolarHBondContact O-N 2.88Å; G401-M405 WeakPolarHBondContact O-CG 3.18Å; G401-M405 PolarHBondContact O-N 3.49Å
402	Y	95	Very high	95.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-25.9	178.8	-80.3	-105.6	0	0	0	113.2	N292 F294 N389 I390 P391 Y397 S400 M405 W406 F413	N292-Y402 PolarHBondContact N-OH 2.92Å; N292-Y402 VanDerWaalsContact O-CE2 3.29Å; N292-Y402 WeakPolarHBondContact O-CE2 3.44Å; F294-Y402 AromaticContact CD2-CD2 3.88Å; F294-Y402 HydrophobicContact CD2-CD2 3.88Å; F294-Y402 AromaticContact CD2-CE2 3.97Å; F294-Y402 HydrophobicContact CD2-CE2 3.97Å; F294-Y402 HydrophobicContact CD2-CG 4.22Å; F294-Y402 AromaticContact CE2-CD1 3.93Å; F294-Y402 HydrophobicContact CE2-CD1 3.93Å; F294-Y402 AromaticContact CE2-CD2 3.82Å; F294-Y402 HydrophobicContact CE2-CD2 3.82Å; F294-Y402 AromaticContact CE2-CE1 3.73Å; F294-Y402 HydrophobicContact CE2-CE1 3.73Å; F294-Y402 AromaticContact CE2-CE2 3.62Å; F294-Y402 HydrophobicContact CE2-CE2 3.62Å; F294-Y402 AromaticContact CE2-CG 3.98Å; F294-Y402 HydrophobicContact CE2-CG 3.98Å; F294-Y402 AromaticContact CE2-CZ 3.58Å; F294-Y402 HydrophobicContact CZ-CE1 4.5Å; N389-Y402 PolarHBondContact O-OH 3.05Å; I390-Y402 HydrophobicContact CB-CE1 4.17Å; I390-Y402 HydrophobicContact CG1-CE1 4Å; I390-Y402 HydrophobicContact CG2-CD1 3.85Å; I390-Y402 HydrophobicContact CG2-CE1 3.87Å; P391-Y402 HydrophobicContact CG-CD2 4.01Å; P391-Y402 HydrophobicContact CG-CE2 3.65Å; Y397-Y402 HydrophobicContact CD2-CD1 4.47Å; Y397-Y402 HydrophobicContact CD2-CG 4.07Å; Y397-Y402 HydrophobicContact CE2-CD1 4.13Å; Y397-Y402 AromaticContact CE2-CG 3.99Å; Y397-Y402 HydrophobicContact CE2-CG 3.99Å; Y397-Y402 VanDerWaalsContact CZ-CB 3.41Å; Y397-Y402 PolarHBondContact O-N 2.77Å; Y397-Y402 VanDerWaalsContact O-N 3.14Å; Y397-Y402 PolarHBondContact OH-O 3.23Å; S400-Y402 VanDerWaalsContact OG-CD2 3.26Å; S400-Y402 WeakPolarHBondContact OG-CD2 3.4Å; Y402-M405 PolarHBondContact O-N 3.04Å; Y402-W406 WeakPolarHBondContact O-CB 3.41Å; Y402-W406 PolarHBondContact O-N 3.47Å; Y402-F413 HydrophobicContact CD1-CB 4.4Å; Y402-F413 HydrophobicContact CD1-CD1 4.29Å
403	G	94.4	Very high	95.2	Very high	34 Å²	34	61.2 Å²	61.2	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-42.4	174.7	0	0	0	0	0	112.7	G401 S407	G401-G403 PolarHBondContact O-N 3.19Å; G403-S407 PolarHBondContact O-N 3.22Å; G403-S407 VanDerWaalsContact O-N 3.13Å
404	E	94.1	Very high	95.1	Very high	148 Å²	148	61 Å²	61	69%	0.692	31%	0.306	S	S	*	.	H	α-helix	trans	-68.2	-45.5	176.4	-63.9	179	177.5	0	0	110.5	G401 W406 S407 E408	G401-E404 PolarHBondContact O-N 2.88Å; E404-W406 VanDerWaalsContact C-N 3.31Å; E404-W406 PolarHBondContact O-N 2.95Å; E404-S407 WeakPolarHBondContact O-CB 3.25Å; E404-S407 PolarHBondContact O-N 3.01Å; E404-S407 VanDerWaalsContact O-N 3.07Å; E404-E408 PolarHBondContact O-N 3.2Å
405	M	92.8	Very high	95	Very high	20 Å²	20	53.6 Å²	53.6	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-38.2	177.5	-62.9	-57.8	-68.1	0	0	112.6	F207 F294 G401 Y402 E408 Y409 F413	F207-M405 VanDerWaalsContact O-CE 3.28Å; F207-M405 WeakPolarHBondContact O-CE 3.15Å; F294-M405 HydrophobicContact CB-CG 4.02Å; F294-M405 HydrophobicContact CB-SD 4.36Å; F294-M405 HydrophobicContact CD1-CE 4.12Å; F294-M405 HydrophobicContact CD1-CG 3.94Å; F294-M405 HydrophobicContact CD1-SD 4.04Å; F294-M405 HydrophobicContact CD2-CG 3.59Å; F294-M405 HydrophobicContact CE1-CE 4.1Å; F294-M405 HydrophobicContact CE1-CG 4.32Å; F294-M405 HydrophobicContact CE2-CG 3.98Å; F294-M405 HydrophobicContact CG-CG 3.56Å; F294-M405 HydrophobicContact CG-SD 4.12Å; F294-M405 HydrophobicContact CZ-CG 4.34Å; G401-M405 WeakPolarHBondContact O-CG 3.18Å; G401-M405 PolarHBondContact O-N 3.49Å; Y402-M405 PolarHBondContact O-N 3.04Å; M405-E408 PolarHBondContact O-N 3.05Å; M405-Y409 HydrophobicContact CB-CD2 4.48Å; M405-Y409 HydrophobicContact CE-CD2 3.36Å; M405-Y409 HydrophobicContact CE-CE2 3.34Å; M405-Y409 HydrophobicContact CE-CG 4.39Å; M405-Y409 WeakPolarHBondContact O-CB 3.45Å; M405-Y409 PolarHBondContact O-N 3Å; M405-Y409 HydrophobicContact SD-CD2 4.03Å; M405-Y409 HydrophobicContact SD-CE2 3.84Å; M405-F413 HydrophobicContact CB-CB 4.06Å; M405-F413 HydrophobicContact CB-CD1 3.36Å; M405-F413 HydrophobicContact CB-CD2 4.16Å; M405-F413 HydrophobicContact CB-CE1 3.7Å; M405-F413 HydrophobicContact CB-CE2 4.48Å; M405-F413 HydrophobicContact CB-CG 3.59Å; M405-F413 HydrophobicContact CB-CZ 4.25Å; M405-F413 HydrophobicContact CE-CD1 4.35Å; M405-F413 HydrophobicContact CE-CE1 3.47Å; M405-F413 VanDerWaalsContact CE-CE1 3.47Å; M405-F413 HydrophobicContact CE-CE2 4.23Å; M405-F413 HydrophobicContact CE-CZ 3.38Å; M405-F413 HydrophobicContact CG-CD1 4.03Å; M405-F413 HydrophobicContact CG-CE1 4Å
406	W	94.3	Very high	95	Very high	118 Å²	118	53.7 Å²	53.7	45%	0.447	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-43.1	173.6	-179.6	17.3	0	0	0	111.4	Y402 E404 E408 G410 F413	Y402-W406 WeakPolarHBondContact O-CB 3.41Å; Y402-W406 PolarHBondContact O-N 3.47Å; E404-W406 VanDerWaalsContact C-N 3.31Å; E404-W406 PolarHBondContact O-N 2.95Å; W406-E408 VanDerWaalsContact C-N 3.27Å; W406-E408 PolarHBondContact O-N 2.58Å; W406-G410 VanDerWaalsContact CD1-C 3.49Å; W406-G410 VanDerWaalsContact CD1-O 3.25Å; W406-G410 VanDerWaalsContact O-CA 3.29Å; W406-G410 WeakPolarHBondContact O-CA 3.45Å; W406-G410 PolarHBondContact O-N 3.48Å; W406-F413 HydrophobicContact CB-CB 4.23Å
407	S	94.7	Very high	95	Very high	111 Å²	111	56.9 Å²	56.9	78%	0.776	30%	0.295	S	S	*	.	H	α-helix	trans	-62.7	-33.8	177.5	-171.6	0	0	0	0	113	G403 E404	G403-S407 PolarHBondContact O-N 3.22Å; G403-S407 VanDerWaalsContact O-N 3.13Å; E404-S407 WeakPolarHBondContact O-CB 3.25Å; E404-S407 PolarHBondContact O-N 3.01Å; E404-S407 VanDerWaalsContact O-N 3.07Å
408	E	93.3	Very high	94.9	Very high	133 Å²	133	55.7 Å²	55.7	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-89.4	-41.2	-176.3	-171.9	177.4	168.4	0	0	113.1	E404 M405 W406	E404-E408 PolarHBondContact O-N 3.2Å; M405-E408 PolarHBondContact O-N 3.05Å; W406-E408 VanDerWaalsContact C-N 3.27Å; W406-E408 PolarHBondContact O-N 2.58Å
409	Y	89.5	Confident	94.8	Very high	91 Å²	91	51.6 Å²	51.6	36%	0.357	27%	0.271	S	S	.	.	H	α-helix	trans	-116.7	-3.6	-169.3	-59	-79.3	0	0	0	114.4	M405 F413	M405-Y409 HydrophobicContact CB-CD2 4.48Å; M405-Y409 HydrophobicContact CE-CD2 3.36Å; M405-Y409 HydrophobicContact CE-CE2 3.34Å; M405-Y409 HydrophobicContact CE-CG 4.39Å; M405-Y409 WeakPolarHBondContact O-CB 3.45Å; M405-Y409 PolarHBondContact O-N 3Å; M405-Y409 HydrophobicContact SD-CD2 4.03Å; M405-Y409 HydrophobicContact SD-CE2 3.84Å; Y409-F413 HydrophobicContact CD2-CE2 4.18Å; Y409-F413 HydrophobicContact CD2-CZ 4.4Å; Y409-F413 AromaticContact CG-CE2 3.95Å; Y409-F413 HydrophobicContact CG-CE2 3.95Å; Y409-F413 HydrophobicContact CG-CZ 4.49Å
410	G	92.7	Very high	94.8	Very high	27 Å²	27	48.9 Å²	48.9	28%	0.278	26%	0.255	S	S	.	.			trans	83.9	-158.6	172.2	0	0	0	0	0	115.2	W406 D412 F413	W406-G410 VanDerWaalsContact CD1-C 3.49Å; W406-G410 VanDerWaalsContact CD1-O 3.25Å; W406-G410 VanDerWaalsContact O-CA 3.29Å; W406-G410 WeakPolarHBondContact O-CA 3.45Å; W406-G410 PolarHBondContact O-N 3.48Å; G410-D412 PolarHBondContact O-N 3.39Å; G410-F413 PolarHBondContact O-N 2.85Å
411	E	93.9	Very high	94.9	Very high	90 Å²	90	49 Å²	49	42%	0.421	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-61.8	-18.1	-163.2	-65	-173.4	168.5	0	0	115.3	F413 S414 L417 C418 K422	E411-F413 PolarHBondContact O-N 2.9Å; E411-F413 VanDerWaalsContact O-N 3.1Å; E411-S414 WeakPolarHBondContact O-CB 3.5Å; E411-S414 PolarHBondContact O-N 2.94Å; E411-L417 HydrophobicContact CB-CB 4.04Å; E411-L417 HydrophobicContact CG-CB 4.11Å; E411-L417 HydrophobicContact CG-CD1 4.34Å; E411-L417 CarbonylContact O-C 3.3Å; E411-C418 WeakPolarHBondContact O-CA 3.31Å; E411-C418 PolarHBondContact O-N 3.29Å; E411-K422 IonicContact OE2-NZ 2.84Å; E411-K422 PolarHBondContact OE2-NZ 3.47Å; E411-K422 VanDerWaalsContact OE2-NZ 3.08Å
412	D	91.6	Very high	95	Very high	22 Å²	22	50.2 Å²	50.2	12%	0.118	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.6	-24.2	178.7	-73.2	-14.2	0	0	0	112.1	L209 P210 G410 C418 P419 K458	L209-D412 WeakPolarHBondContact CD2-OD2 3.46Å; P210-D412 HydrophobicContact CG-CB 4.12Å; P210-D412 WeakPolarHBondContact CG-O 3.19Å; G410-D412 PolarHBondContact O-N 3.39Å; D412-C418 WeakPolarHBondContact O-CB 3.07Å; D412-P419 WeakPolarHBondContact OD1-CD 3.34Å; D412-K458 VanDerWaalsContact CG-NZ 3.26Å; D412-K458 WeakPolarHBondContact OD1-CE 3.35Å; D412-K458 IonicContact OD1-NZ 2.68Å; D412-K458 PolarHBondContact OD1-NZ 3.26Å; D412-K458 WeakPolarHBondContact OD2-CE 3.48Å; D412-K458 IonicContact OD2-NZ 2.78Å; D412-K458 PolarHBondContact OD2-NZ 3.36Å
413	F	93.7	Very high	95.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-97.7	-3.7	176.8	-63.7	-94.5	0	0	0	113.9	L209 P210 F294 Y397 Y402 M405 W406 Y409 G410 E411	L209-F413 WeakPolarHBondContact O-CZ 3.41Å; P210-F413 HydrophobicContact CB-CD1 4.23Å; P210-F413 HydrophobicContact CB-CE1 4.04Å; P210-F413 HydrophobicContact CG-CD1 3.97Å; P210-F413 HydrophobicContact CG-CD2 4.32Å; P210-F413 HydrophobicContact CG-CE1 3.95Å; P210-F413 HydrophobicContact CG-CE2 4.26Å; P210-F413 HydrophobicContact CG-CG 4.19Å; P210-F413 HydrophobicContact CG-CZ 4.11Å; P210-F413 VanDerWaalsContact N-CZ 3.27Å; F294-F413 HydrophobicContact CE1-CE1 4.05Å; F294-F413 HydrophobicContact CE2-CD1 4.04Å; F294-F413 HydrophobicContact CE2-CE1 4.04Å; F294-F413 AromaticContact CZ-CD1 3.97Å; F294-F413 HydrophobicContact CZ-CD1 3.97Å; F294-F413 AromaticContact CZ-CE1 3.52Å; F294-F413 HydrophobicContact CZ-CE1 3.52Å; Y397-F413 WeakPolarHBondContact CE2-O 3.2Å; Y397-F413 PolarHBondContact OH-O 3.2Å; Y397-F413 VanDerWaalsContact OH-O 3.12Å; Y402-F413 HydrophobicContact CD1-CB 4.4Å; Y402-F413 HydrophobicContact CD1-CD1 4.29Å; M405-F413 HydrophobicContact CB-CB 4.06Å; M405-F413 HydrophobicContact CB-CD1 3.36Å; M405-F413 HydrophobicContact CB-CD2 4.16Å; M405-F413 HydrophobicContact CB-CE1 3.7Å; M405-F413 HydrophobicContact CB-CE2 4.48Å; M405-F413 HydrophobicContact CB-CG 3.59Å; M405-F413 HydrophobicContact CB-CZ 4.25Å; M405-F413 HydrophobicContact CE-CD1 4.35Å; M405-F413 HydrophobicContact CE-CE1 3.47Å; M405-F413 VanDerWaalsContact CE-CE1 3.47Å; M405-F413 HydrophobicContact CE-CE2 4.23Å; M405-F413 HydrophobicContact CE-CZ 3.38Å; M405-F413 HydrophobicContact CG-CD1 4.03Å; M405-F413 HydrophobicContact CG-CE1 4Å; W406-F413 HydrophobicContact CB-CB 4.23Å; Y409-F413 HydrophobicContact CD2-CE2 4.18Å; Y409-F413 HydrophobicContact CD2-CZ 4.4Å; Y409-F413 AromaticContact CG-CE2 3.95Å; Y409-F413 HydrophobicContact CG-CE2 3.95Å; Y409-F413 HydrophobicContact CG-CZ 4.49Å; G410-F413 PolarHBondContact O-N 2.85Å; E411-F413 PolarHBondContact O-N 2.9Å; E411-F413 VanDerWaalsContact O-N 3.1Å
414	S	95.8	Very high	95.4	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.028	24%	0.243	C	C	.	.			trans	-76.3	130	176.1	176.7	0	0	0	0	110.7	I390 E411 D416 L417 C418	I390-S414 VanDerWaalsContact CD1-O 3.28Å; I390-S414 WeakPolarHBondContact CD1-O 3.42Å; E411-S414 WeakPolarHBondContact O-CB 3.5Å; E411-S414 PolarHBondContact O-N 2.94Å; S414-D416 PolarHBondContact O-N 3.35Å; S414-D416 PolarHBondContact OG-N 2.92Å; S414-L417 PolarHBondContact O-N 3.39Å; S414-L417 PolarHBondContact OG-N 2.87Å; S414-C418 WeakPolarHBondContact O-CB 3.47Å; S414-C418 PolarHBondContact O-N 3.16Å; S414-C418 VanDerWaalsContact O-N 3.1Å
415	Y	97.3	Very high	95.6	Very high	37 Å²	37	47.2 Å²	47.2	15%	0.145	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-41	174.9	-177.8	-96	0	0	0	112	Y388 I390 P391 F392 A421	Y388-Y415 HydrophobicContact CE2-CD2 4.11Å; Y388-Y415 HydrophobicContact CE2-CE2 4.16Å; Y388-Y415 WeakPolarHBondContact CE2-O 3.41Å; Y388-Y415 VanDerWaalsContact CZ-O 3.31Å; Y388-Y415 PolarHBondContact OH-O 3.42Å; I390-Y415 HydrophobicContact CB-CD2 4.18Å; I390-Y415 HydrophobicContact CG2-CD2 4.06Å; I390-Y415 WeakPolarHBondContact O-CD2 3.31Å; I390-Y415 WeakPolarHBondContact O-CE2 3.29Å; P391-Y415 VanDerWaalsContact O-CD2 3.31Å; P391-Y415 WeakPolarHBondContact O-CD2 3.19Å; F392-Y415 HydrophobicContact CB-CE2 3.75Å; F392-Y415 HydrophobicContact CD2-CE1 4.07Å; F392-Y415 HydrophobicContact CD2-CE2 4.39Å; F392-Y415 AromaticContact CD2-CZ 3.75Å; F392-Y415 WeakPolarHBondContact CD2-OH 3.19Å; Y415-A421 WeakPolarHBondContact O-CB 3.33Å
416	D	97.6	Very high	95.9	Very high	88 Å²	88	50.7 Å²	50.7	47%	0.471	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-30.3	-174.8	-70	-61	0	0	0	113.9	S414 A421 R425	S414-D416 PolarHBondContact O-N 3.35Å; S414-D416 PolarHBondContact OG-N 2.92Å; D416-A421 WeakPolarHBondContact O-CB 3.25Å; D416-R425 VanDerWaalsContact O-CZ 3.27Å; D416-R425 PolarHBondContact O-NH1 3Å; D416-R425 PolarHBondContact O-NH2 3.17Å; D416-R425 IonicContact OD1-NH2 3.64Å
417	L	97.6	Very high	96.1	Very high	67 Å²	67	46.4 Å²	46.4	35%	0.351	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-1.8	-166.6	-58.3	177.2	0	0	0	114.2	E411 S414 K422	E411-L417 HydrophobicContact CB-CB 4.04Å; E411-L417 HydrophobicContact CG-CB 4.11Å; E411-L417 HydrophobicContact CG-CD1 4.34Å; E411-L417 CarbonylContact O-C 3.3Å; S414-L417 PolarHBondContact O-N 3.39Å; S414-L417 PolarHBondContact OG-N 2.87Å; L417-K422 WeakPolarHBondContact O-CD 3.48Å; L417-K422 WeakPolarHBondContact O-CE 3.32Å; L417-K422 PolarHBondContact O-NZ 3.19Å
418	C	96.2	Very high	96.3	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.02	20%	0.199	C	C	.	.	S	Bend	trans	-61	154.3	173.5	82.4	0	0	0	0	110.9	I390 E411 D412 S414 R420 A421 K422	I390-C418 HydrophobicContact CD1-CB 3.62Å; E411-C418 WeakPolarHBondContact O-CA 3.31Å; E411-C418 PolarHBondContact O-N 3.29Å; D412-C418 WeakPolarHBondContact O-CB 3.07Å; S414-C418 WeakPolarHBondContact O-CB 3.47Å; S414-C418 PolarHBondContact O-N 3.16Å; S414-C418 VanDerWaalsContact O-N 3.1Å; C418-R420 VanDerWaalsContact C-N 3.28Å; C418-R420 PolarHBondContact O-N 3.12Å; C418-R420 VanDerWaalsContact O-N 3.16Å; C418-A421 WeakPolarHBondContact O-CB 3.48Å; C418-A421 PolarHBondContact O-N 3.39Å; C418-A421 VanDerWaalsContact O-N 3.1Å; C418-A421 PolarHBondContact SG-N 3.08Å; C418-K422 PolarHBondContact O-N 2.97Å
419	P	96.7	Very high	96.5	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-50.7	-43.2	-176.6	-31.8	36.7	0	0	0	114.5	D412 K422 I423 Y451 K458	D412-P419 WeakPolarHBondContact OD1-CD 3.34Å; P419-K422 PolarHBondContact O-N 3.02Å; P419-I423 WeakPolarHBondContact O-CD1 3.42Å; P419-I423 VanDerWaalsContact O-CG1 3.26Å; P419-I423 WeakPolarHBondContact O-CG1 3.25Å; P419-I423 PolarHBondContact O-N 3.47Å; P419-Y451 WeakPolarHBondContact CB-O 3.49Å; P419-K458 HydrophobicContact CB-CB 3.79Å; P419-K458 HydrophobicContact CB-CG 4.39Å; P419-K458 HydrophobicContact CG-CB 3.77Å; P419-K458 HydrophobicContact CG-CD 3.79Å; P419-K458 HydrophobicContact CG-CG 3.82Å
420	R	97.5	Very high	96.9	Very high	21 Å²	21	39.2 Å²	39.2	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-40.5	-179.6	-73	179.8	-75.3	177.8	1.2	112.6	C215 S216 Y388 N389 C418 K422 I423 F424 T459 I460	C215-R420 PolarHBondContact O-NH1 2.72Å; S216-R420 WeakPolarHBondContact OG-CD 3.45Å; Y388-R420 HydrophobicContact CG-CB 4.16Å; Y388-R420 PolarHBondContact O-NH2 2.99Å; N389-R420 VanDerWaalsContact OD1-CZ 3.27Å; N389-R420 PolarHBondContact OD1-NH1 2.98Å; N389-R420 PolarHBondContact OD1-NH2 2.71Å; C418-R420 VanDerWaalsContact C-N 3.28Å; C418-R420 PolarHBondContact O-N 3.12Å; C418-R420 VanDerWaalsContact O-N 3.16Å; R420-K422 VanDerWaalsContact C-N 3.32Å; R420-K422 PolarHBondContact O-N 3.19Å; R420-I423 PolarHBondContact O-N 2.71Å; R420-F424 WeakPolarHBondContact O-CB 3.33Å; R420-F424 VanDerWaalsContact O-CD2 3.26Å; R420-F424 WeakPolarHBondContact O-CD2 3.3Å; R420-F424 PolarHBondContact O-N 2.6Å; R420-T459 VanDerWaalsContact CD-O 3.27Å; R420-T459 WeakPolarHBondContact CD-O 3.28Å; R420-T459 WeakPolarHBondContact CG-O 3.39Å; R420-I460 HydrophobicContact CB-CD1 4.14Å; R420-I460 HydrophobicContact CG-CD1 4.09Å
421	A	98.3	Very high	97.2	Very high	3 Å²	3	38 Å²	38	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-44.1	173.3	0	0	0	0	0	111.1	Y388 Y415 D416 C418 R425	Y388-A421 HydrophobicContact CE1-CB 3.91Å; Y388-A421 HydrophobicContact CE2-CB 3.9Å; Y388-A421 WeakPolarHBondContact OH-CB 3.5Å; Y415-A421 WeakPolarHBondContact O-CB 3.33Å; D416-A421 WeakPolarHBondContact O-CB 3.25Å; C418-A421 WeakPolarHBondContact O-CB 3.48Å; C418-A421 PolarHBondContact O-N 3.39Å; C418-A421 VanDerWaalsContact O-N 3.1Å; C418-A421 PolarHBondContact SG-N 3.08Å; A421-R425 WeakPolarHBondContact O-CB 3.47Å; A421-R425 PolarHBondContact O-N 2.76Å
422	K	98.6	Very high	97.4	Very high	29 Å²	29	39.2 Å²	39.2	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-45.4	176.7	-67.4	-174	-69.2	-150.9	0	112.2	E411 L417 C418 P419 R420 R426 Y451	E411-K422 IonicContact OE2-NZ 2.84Å; E411-K422 PolarHBondContact OE2-NZ 3.47Å; E411-K422 VanDerWaalsContact OE2-NZ 3.08Å; L417-K422 WeakPolarHBondContact O-CD 3.48Å; L417-K422 WeakPolarHBondContact O-CE 3.32Å; L417-K422 PolarHBondContact O-NZ 3.19Å; C418-K422 PolarHBondContact O-N 2.97Å; P419-K422 PolarHBondContact O-N 3.02Å; R420-K422 VanDerWaalsContact C-N 3.32Å; R420-K422 PolarHBondContact O-N 3.19Å; K422-R426 WeakPolarHBondContact O-CB 3.27Å; K422-R426 PolarHBondContact O-N 2.82Å; K422-Y451 HydrophobicContact CB-CD1 4.13Å; K422-Y451 HydrophobicContact CB-CD2 3.75Å; K422-Y451 HydrophobicContact CB-CE1 4.31Å; K422-Y451 HydrophobicContact CB-CE2 3.92Å; K422-Y451 HydrophobicContact CB-CG 3.86Å; K422-Y451 HydrophobicContact CD-CD1 3.92Å; K422-Y451 HydrophobicContact CD-CE1 4.09Å; K422-Y451 HydrophobicContact CD-CG 4.43Å
423	I	98.7	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-50.3	178.5	-67.3	162.4	0	0	0	111.1	P419 R420 R425 R426 D427 Y443 Y451 I460	P419-I423 WeakPolarHBondContact O-CD1 3.42Å; P419-I423 VanDerWaalsContact O-CG1 3.26Å; P419-I423 WeakPolarHBondContact O-CG1 3.25Å; P419-I423 PolarHBondContact O-N 3.47Å; R420-I423 PolarHBondContact O-N 2.71Å; I423-R425 VanDerWaalsContact C-N 3.34Å; I423-R425 PolarHBondContact O-N 3.38Å; I423-R426 PolarHBondContact O-N 3.06Å; I423-D427 WeakPolarHBondContact O-CB 3.29Å; I423-D427 PolarHBondContact O-N 3.11Å; I423-Y443 HydrophobicContact CD1-CE1 4.34Å; I423-Y443 HydrophobicContact CG2-CD1 3.91Å; I423-Y443 HydrophobicContact CG2-CE1 3.94Å; I423-Y451 HydrophobicContact CG1-CD2 3.96Å; I423-I460 HydrophobicContact CB-CD1 4.06Å; I423-I460 HydrophobicContact CB-CG1 4.42Å; I423-I460 HydrophobicContact CG2-CD1 3.83Å; I423-I460 HydrophobicContact CG2-CG1 3.69Å
424	F	98.7	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-46.6	177	-79.9	-53.6	0	0	0	111.6	L218 P386 Y388 R420 R426 D427 Q428 I440 M441 I460	L218-F424 HydrophobicContact CB-CE1 4.07Å; L218-F424 HydrophobicContact CD1-CD1 4.27Å; L218-F424 HydrophobicContact CD1-CE1 4.42Å; L218-F424 HydrophobicContact CD2-CD1 4.37Å; L218-F424 HydrophobicContact CD2-CE1 4.22Å; L218-F424 HydrophobicContact CG-CE1 4.48Å; P386-F424 HydrophobicContact CB-CB 4.01Å; P386-F424 HydrophobicContact CB-CD2 3.76Å; P386-F424 HydrophobicContact CB-CE2 4.32Å; P386-F424 HydrophobicContact CB-CG 3.91Å; Y388-F424 AromaticContact CD1-CD2 3.84Å; Y388-F424 HydrophobicContact CD1-CD2 3.84Å; Y388-F424 HydrophobicContact CD1-CE2 4.12Å; Y388-F424 HydrophobicContact CE1-CD2 4.41Å; R420-F424 WeakPolarHBondContact O-CB 3.33Å; R420-F424 VanDerWaalsContact O-CD2 3.26Å; R420-F424 WeakPolarHBondContact O-CD2 3.3Å; R420-F424 PolarHBondContact O-N 2.6Å; F424-R426 VanDerWaalsContact C-N 3.29Å; F424-R426 PolarHBondContact O-N 3Å; F424-D427 PolarHBondContact O-N 3.27Å; F424-Q428 WeakPolarHBondContact O-CB 3.5Å; F424-Q428 WeakPolarHBondContact O-CG 3.46Å; F424-Q428 PolarHBondContact O-N 3.13Å; F424-I440 HydrophobicContact CD1-CD1 4.08Å; F424-I440 HydrophobicContact CE1-CD1 4.44Å; F424-M441 HydrophobicContact CE1-SD 4.06Å; F424-M441 HydrophobicContact CZ-SD 4.24Å; F424-I460 HydrophobicContact CD1-CD1 4.01Å; F424-I460 HydrophobicContact CD2-CD1 3.71Å; F424-I460 HydrophobicContact CE1-CD1 3.82Å; F424-I460 HydrophobicContact CE1-CG1 4.28Å; F424-I460 HydrophobicContact CE1-CG2 4.13Å; F424-I460 HydrophobicContact CE2-CD1 3.54Å; F424-I460 HydrophobicContact CG-CD1 3.95Å; F424-I460 HydrophobicContact CZ-CD1 3.6Å; F424-I460 HydrophobicContact CZ-CG1 4.31Å; F424-I460 HydrophobicContact CZ-CG2 3.82Å
425	R	98.6	Very high	98.1	Very high	120 Å²	120	47.9 Å²	47.9	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-40.9	178.8	-172.3	-179.3	-60.9	105.9	-1.8	112.4	D416 A421 I423	D416-R425 VanDerWaalsContact O-CZ 3.27Å; D416-R425 PolarHBondContact O-NH1 3Å; D416-R425 PolarHBondContact O-NH2 3.17Å; D416-R425 IonicContact OD1-NH2 3.64Å; A421-R425 WeakPolarHBondContact O-CB 3.47Å; A421-R425 PolarHBondContact O-N 2.76Å; I423-R425 VanDerWaalsContact C-N 3.34Å; I423-R425 PolarHBondContact O-N 3.38Å
426	R	98.7	Very high	98.2	Very high	92 Å²	92	47.3 Å²	47.3	35%	0.347	24%	0.236	S	C	.	.	H	α-helix	trans	-69.6	-44.5	177.8	-172	-172.4	64.2	-152.5	-3.1	112	K422 I423 F424 D449 Y451	K422-R426 WeakPolarHBondContact O-CB 3.27Å; K422-R426 PolarHBondContact O-N 2.82Å; I423-R426 PolarHBondContact O-N 3.06Å; F424-R426 VanDerWaalsContact C-N 3.29Å; F424-R426 PolarHBondContact O-N 3Å; R426-D449 IonicContact CZ-OD1 2.81Å; R426-D449 IonicContact CZ-OD2 2.77Å; R426-D449 IonicContact NH1-OD1 3.55Å; R426-D449 PolarHBondContact NH1-OD1 2.87Å; R426-D449 IonicContact NH1-OD2 3.62Å; R426-D449 PolarHBondContact NH1-OD2 3.32Å; R426-D449 IonicContact NH2-OD1 3.55Å; R426-D449 IonicContact NH2-OD2 2.8Å; R426-D449 PolarHBondContact NH2-OD2 3.34Å; R426-Y451 HydrophobicContact CB-CE2 4.42Å; R426-Y451 VanDerWaalsContact NH1-CD2 3.34Å
427	D	98.6	Very high	98.2	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-109.1	-15.9	-160.1	-61.9	-21.5	0	0	0	114.9	I423 F424 A429 N430 I440	I423-D427 WeakPolarHBondContact O-CB 3.29Å; I423-D427 PolarHBondContact O-N 3.11Å; F424-D427 PolarHBondContact O-N 3.27Å; D427-A429 PolarHBondContact O-N 3.25Å; D427-N430 VanDerWaalsContact O-CB 3.3Å; D427-N430 WeakPolarHBondContact O-CB 3.28Å; D427-N430 PolarHBondContact O-N 2.74Å; D427-I440 HydrophobicContact CB-CD1 3.95Å
428	Q	98.3	Very high	98.3	Very high	31 Å²	31	41 Å²	41	15%	0.145	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.4	-27.7	-178.3	64.1	82.8	18.5	0	0	113.4	K220 F424 N430 V431	K220-Q428 PolarHBondContact NZ-O 3.41Å; F424-Q428 WeakPolarHBondContact O-CB 3.5Å; F424-Q428 WeakPolarHBondContact O-CG 3.46Å; F424-Q428 PolarHBondContact O-N 3.13Å; Q428-N430 PolarHBondContact O-N 3.13Å; Q428-V431 PolarHBondContact O-N 2.94Å
429	A	97.9	Very high	98.4	Very high	43 Å²	43	48.5 Å²	48.5	36%	0.355	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.2	-20.7	178.1	0	0	0	0	0	112.6	D427 V431 K432	D427-A429 PolarHBondContact O-N 3.25Å; A429-V431 VanDerWaalsContact C-N 3.3Å; A429-K432 WeakPolarHBondContact O-CE 3.46Å; A429-K432 PolarHBondContact O-NZ 3.35Å
430	N	98.3	Very high	98.5	Very high	110 Å²	110	48.8 Å²	48.8	59%	0.588	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-80.7	-9.3	177.7	-61	-36.2	0	0	0	113.2	D427 Q428 K432	D427-N430 VanDerWaalsContact O-CB 3.3Å; D427-N430 WeakPolarHBondContact O-CB 3.28Å; D427-N430 PolarHBondContact O-N 2.74Å; Q428-N430 PolarHBondContact O-N 3.13Å; N430-K432 PolarHBondContact O-N 3.47Å
431	V	98.8	Very high	98.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.227	C	C	.	.			trans	-78.1	114.1	173.2	-175.6	0	0	0	0	109.1	L218 K220 L229 Q428 A429 L437 I440	L218-V431 HydrophobicContact CD2-CG2 4.2Å; K220-V431 HydrophobicContact CB-CG1 4.47Å; K220-V431 HydrophobicContact CD-CB 4.3Å; K220-V431 HydrophobicContact CG-CB 4.1Å; K220-V431 HydrophobicContact CG-CG1 3.9Å; L229-V431 HydrophobicContact CD1-CG1 3.68Å; Q428-V431 PolarHBondContact O-N 2.94Å; A429-V431 VanDerWaalsContact C-N 3.3Å; V431-L437 HydrophobicContact CG1-CB 3.8Å; V431-L437 HydrophobicContact CG1-CD1 4.07Å; V431-I440 HydrophobicContact CG2-CB 4.19Å; V431-I440 HydrophobicContact CG2-CD1 4.17Å; V431-I440 HydrophobicContact CG2-CG2 3.55Å
432	K	98.3	Very high	98.6	Very high	116 Å²	116	48.2 Å²	48.2	50%	0.504	23%	0.228	S	C	.	.			trans	-121.1	-16.6	-176.2	-57.3	-53.8	-175.4	-167.1	0	113.7	L222 A429 N430 S436	L222-K432 WeakPolarHBondContact CD1-O 3.31Å; A429-K432 WeakPolarHBondContact O-CE 3.46Å; A429-K432 PolarHBondContact O-NZ 3.35Å; N430-K432 PolarHBondContact O-N 3.47Å; K432-S436 PolarHBondContact N-OG 2.82Å
433	D	98.6	Very high	98.6	Very high	79 Å²	79	48.5 Å²	48.5	42%	0.422	23%	0.228	S	C	.	.	S	Bend	trans	-163.3	179.4	-172.5	51.8	35.7	0	0	0	109.5	L229 D435 S436 L437	L229-D433 WeakPolarHBondContact CD1-O 3.5Å; D433-D435 VanDerWaalsContact C-N 3.3Å; D433-D435 PolarHBondContact O-N 2.95Å; D433-D435 PolarHBondContact OD1-N 3.33Å; D433-S436 PolarHBondContact N-OG 3.07Å; D433-S436 PolarHBondContact O-OG 3.27Å; D433-S436 VanDerWaalsContact OD1-CB 3.31Å; D433-S436 WeakPolarHBondContact OD1-CB 3.14Å; D433-S436 PolarHBondContact OD1-N 3.09Å; D433-S436 PolarHBondContact OD1-OG 3.18Å; D433-L437 WeakPolarHBondContact O-CB 3.38Å; D433-L437 PolarHBondContact O-N 3.3Å
434	L	98.4	Very high	98.6	Very high	20 Å²	20	48.5 Å²	48.5	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-33.9	-179.7	-157.7	71.7	0	0	0	112.7	L437 K438 V481 D483 M486 E493	L434-L437 HydrophobicContact CD1-CD2 4.25Å; L434-L437 WeakPolarHBondContact O-CB 3.27Å; L434-L437 PolarHBondContact O-N 2.85Å; L434-K438 VanDerWaalsContact O-CG 3.24Å; L434-K438 WeakPolarHBondContact O-CG 3.27Å; L434-K438 PolarHBondContact O-N 3Å; L434-V481 HydrophobicContact CD1-CB 3.88Å; L434-V481 HydrophobicContact CD1-CG2 3.8Å; L434-V481 HydrophobicContact CD2-CG2 4.17Å; L434-V481 HydrophobicContact CG-CB 4.41Å; L434-V481 HydrophobicContact CG-CG2 3.83Å; L434-D483 HydrophobicContact CD1-CB 4.47Å; L434-M486 HydrophobicContact CD2-CE 4.13Å; L434-M486 HydrophobicContact CD2-SD 3.64Å; L434-E493 HydrophobicContact CD2-CG 4.41Å; L434-E493 WeakPolarHBondContact CD2-OE1 2.98Å
435	D	98.6	Very high	98.5	Very high	109 Å²	109	50 Å²	50	58%	0.583	24%	0.236	S	C	*	.	H	α-helix	trans	-73.9	-41.6	-178.2	-74.8	-21.3	0	0	0	112.7	D433 L437 K438 R439	D433-D435 VanDerWaalsContact C-N 3.3Å; D433-D435 PolarHBondContact O-N 2.95Å; D433-D435 PolarHBondContact OD1-N 3.33Å; D435-L437 VanDerWaalsContact C-N 3.27Å; D435-L437 PolarHBondContact O-N 3.02Å; D435-K438 WeakPolarHBondContact O-CB 3.3Å; D435-K438 PolarHBondContact O-N 3.1Å; D435-K438 IonicContact OD1-NZ 2.7Å; D435-K438 PolarHBondContact OD1-NZ 3.4Å; D435-R439 PolarHBondContact O-N 3.11Å
436	S	98.8	Very high	98.5	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	22%	0.22	C	C	.	.	H	α-helix	trans	-67.1	-29.2	171.5	54.1	0	0	0	0	112.1	K432 D433 R439 I440	K432-S436 PolarHBondContact N-OG 2.82Å; D433-S436 PolarHBondContact N-OG 3.07Å; D433-S436 PolarHBondContact O-OG 3.27Å; D433-S436 VanDerWaalsContact OD1-CB 3.31Å; D433-S436 WeakPolarHBondContact OD1-CB 3.14Å; D433-S436 PolarHBondContact OD1-N 3.09Å; D433-S436 PolarHBondContact OD1-OG 3.18Å; S436-R439 PolarHBondContact O-N 3.04Å; S436-I440 PolarHBondContact O-N 3.2Å; S436-I440 VanDerWaalsContact O-N 3.11Å
437	L	98.9	Very high	98.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-48.4	169.2	-178.1	66.8	0	0	0	111.5	L218 L229 A231 V431 D433 L434 D435 R439 I440 M441 V481	L218-L437 HydrophobicContact CD2-CD1 3.99Å; L218-L437 HydrophobicContact CG-CD1 4.47Å; L229-L437 HydrophobicContact CB-CD2 3.7Å; L229-L437 HydrophobicContact CD1-CB 4.34Å; A231-L437 HydrophobicContact CB-CD1 3.82Å; A231-L437 HydrophobicContact CB-CD2 3.7Å; A231-L437 HydrophobicContact CB-CG 3.8Å; V431-L437 HydrophobicContact CG1-CB 3.8Å; V431-L437 HydrophobicContact CG1-CD1 4.07Å; D433-L437 WeakPolarHBondContact O-CB 3.38Å; D433-L437 PolarHBondContact O-N 3.3Å; L434-L437 HydrophobicContact CD1-CD2 4.25Å; L434-L437 WeakPolarHBondContact O-CB 3.27Å; L434-L437 PolarHBondContact O-N 2.85Å; D435-L437 VanDerWaalsContact C-N 3.27Å; D435-L437 PolarHBondContact O-N 3.02Å; L437-R439 PolarHBondContact O-N 2.81Å; L437-I440 HydrophobicContact CD1-CG2 4.35Å; L437-I440 VanDerWaalsContact O-CG2 3.26Å; L437-I440 WeakPolarHBondContact O-CG2 3.39Å; L437-I440 PolarHBondContact O-N 3.2Å; L437-M441 HydrophobicContact CD1-CG 4.13Å; L437-M441 HydrophobicContact CG-CG 4.42Å; L437-M441 WeakPolarHBondContact O-CB 3.44Å; L437-M441 VanDerWaalsContact O-CG 3.24Å; L437-M441 WeakPolarHBondContact O-CG 3.38Å; L437-M441 PolarHBondContact O-N 3.1Å; L437-V481 HydrophobicContact CD2-CB 3.98Å; L437-V481 HydrophobicContact CD2-CG1 3.92Å; L437-V481 HydrophobicContact CG-CG1 4.06Å
438	K	98.9	Very high	98.3	Very high	21 Å²	21	53.9 Å²	53.9	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-53.5	-45.4	173.6	-68.2	165.8	-153.7	167.7	0	110.2	L434 D435 M441 R442 V481 E493 F528	L434-K438 VanDerWaalsContact O-CG 3.24Å; L434-K438 WeakPolarHBondContact O-CG 3.27Å; L434-K438 PolarHBondContact O-N 3Å; D435-K438 WeakPolarHBondContact O-CB 3.3Å; D435-K438 PolarHBondContact O-N 3.1Å; D435-K438 IonicContact OD1-NZ 2.7Å; D435-K438 PolarHBondContact OD1-NZ 3.4Å; K438-M441 PolarHBondContact O-N 3.16Å; K438-R442 WeakPolarHBondContact O-CB 3.26Å; K438-R442 VanDerWaalsContact O-CG 3.32Å; K438-R442 WeakPolarHBondContact O-CG 3.47Å; K438-R442 PolarHBondContact O-N 3.46Å; K438-V481 HydrophobicContact CD-CG2 4.33Å; K438-V481 HydrophobicContact CG-CG1 4.02Å; K438-V481 HydrophobicContact CG-CG2 3.76Å; K438-E493 WeakPolarHBondContact CE-OE2 3.43Å; K438-E493 IonicContact NZ-OE1 3.6Å; K438-E493 PolarHBondContact NZ-OE1 3.21Å; K438-E493 IonicContact NZ-OE2 2.71Å; K438-E493 PolarHBondContact NZ-OE2 2.92Å; K438-F528 HydrophobicContact CB-CD2 4.4Å; K438-F528 HydrophobicContact CB-CE1 4.42Å; K438-F528 HydrophobicContact CB-CE2 3.72Å; K438-F528 HydrophobicContact CB-CZ 3.73Å; K438-F528 HydrophobicContact CD-CD1 4.16Å; K438-F528 HydrophobicContact CD-CD2 3.93Å; K438-F528 HydrophobicContact CD-CE1 4.3Å; K438-F528 HydrophobicContact CD-CE2 4.08Å; K438-F528 HydrophobicContact CD-CG 3.97Å; K438-F528 HydrophobicContact CD-CZ 4.26Å; K438-F528 HydrophobicContact CG-CD1 4.15Å; K438-F528 HydrophobicContact CG-CD2 4.18Å; K438-F528 HydrophobicContact CG-CE1 3.79Å; K438-F528 HydrophobicContact CG-CE2 3.82Å; K438-F528 HydrophobicContact CG-CG 4.34Å; K438-F528 HydrophobicContact CG-CZ 3.6Å
439	R	98.6	Very high	98.3	Very high	162 Å²	162	52.7 Å²	52.7	61%	0.611	25%	0.252	S	S	*	.	H	α-helix	trans	-61.2	-47	-179	-172.8	178.5	-178.8	165	0.9	113.7	D435 S436 L437 M441 R442 Y443 Q501	D435-R439 PolarHBondContact O-N 3.11Å; S436-R439 PolarHBondContact O-N 3.04Å; L437-R439 PolarHBondContact O-N 2.81Å; R439-M441 VanDerWaalsContact C-N 3.34Å; R439-R442 PolarHBondContact O-N 3.5Å; R439-Y443 PolarHBondContact O-N 3.26Å; R439-Q501 PolarHBondContact O-NE2 3.13Å; R439-Q501 PolarHBondContact O-OE1 2.99Å; R439-Q501 VanDerWaalsContact O-OE1 3.12Å
440	I	98.7	Very high	98.3	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-68.1	-37.4	178.9	-167.8	170.3	0	0	0	111.1	L218 F424 D427 V431 S436 L437 R442 Y443 I460	L218-I440 HydrophobicContact CD2-CD1 4.39Å; L218-I440 HydrophobicContact CD2-CG2 3.99Å; F424-I440 HydrophobicContact CD1-CD1 4.08Å; F424-I440 HydrophobicContact CE1-CD1 4.44Å; D427-I440 HydrophobicContact CB-CD1 3.95Å; V431-I440 HydrophobicContact CG2-CB 4.19Å; V431-I440 HydrophobicContact CG2-CD1 4.17Å; V431-I440 HydrophobicContact CG2-CG2 3.55Å; S436-I440 PolarHBondContact O-N 3.2Å; S436-I440 VanDerWaalsContact O-N 3.11Å; L437-I440 HydrophobicContact CD1-CG2 4.35Å; L437-I440 VanDerWaalsContact O-CG2 3.26Å; L437-I440 WeakPolarHBondContact O-CG2 3.39Å; L437-I440 PolarHBondContact O-N 3.2Å; I440-R442 VanDerWaalsContact C-N 3.26Å; I440-R442 PolarHBondContact O-N 2.88Å; I440-Y443 WeakPolarHBondContact O-CB 3.48Å; I440-Y443 PolarHBondContact O-N 3.26Å; I440-Y443 VanDerWaalsContact O-N 3.12Å; I440-I460 WeakPolarHBondContact O-CG2 3.5Å
441	M	98.8	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-74.2	-18	-178.2	-65	-53.7	-64.4	0	0	113.5	S216 L218 A231 S233 F424 L437 K438 R439 I460 T479	S216-M441 WeakPolarHBondContact O-CE 3.28Å; L218-M441 HydrophobicContact CB-SD 3.65Å; A231-M441 HydrophobicContact CB-CE 4.27Å; A231-M441 HydrophobicContact CB-CG 3.67Å; A231-M441 HydrophobicContact CB-SD 4.27Å; S233-M441 PolarHBondContact OG-O 2.57Å; F424-M441 HydrophobicContact CE1-SD 4.06Å; F424-M441 HydrophobicContact CZ-SD 4.24Å; L437-M441 HydrophobicContact CD1-CG 4.13Å; L437-M441 HydrophobicContact CG-CG 4.42Å; L437-M441 WeakPolarHBondContact O-CB 3.44Å; L437-M441 VanDerWaalsContact O-CG 3.24Å; L437-M441 WeakPolarHBondContact O-CG 3.38Å; L437-M441 PolarHBondContact O-N 3.1Å; K438-M441 PolarHBondContact O-N 3.16Å; R439-M441 VanDerWaalsContact C-N 3.34Å; M441-I460 HydrophobicContact SD-CG2 4.41Å; M441-T479 HydrophobicContact CB-CG2 3.59Å; M441-T479 HydrophobicContact CG-CG2 4.47Å
442	R	98.7	Very high	98.1	Very high	13 Å²	13	53.7 Å²	53.7	5%	0.049	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	0.6	169.9	-66.2	-46.8	-58.1	-177.6	-13.4	114.4	K438 R439 I440 N444 C461 C476 D478 T479 G497 P498 T499 F528	K438-R442 WeakPolarHBondContact O-CB 3.26Å; K438-R442 VanDerWaalsContact O-CG 3.32Å; K438-R442 WeakPolarHBondContact O-CG 3.47Å; K438-R442 PolarHBondContact O-N 3.46Å; R439-R442 PolarHBondContact O-N 3.5Å; I440-R442 VanDerWaalsContact C-N 3.26Å; I440-R442 PolarHBondContact O-N 2.88Å; R442-N444 PolarHBondContact O-N 3.27Å; R442-C461 PolarHBondContact NH1-SG 3.18Å; R442-C476 PolarHBondContact NH1-SG 2.9Å; R442-D478 PolarHBondContact NH1-O 2.76Å; R442-T479 WeakPolarHBondContact CD-OG1 3.48Å; R442-T479 PolarHBondContact NH1-OG1 3.01Å; R442-G497 PolarHBondContact NH2-O 3.48Å; R442-P498 PolarHBondContact NH2-O 3.44Å; R442-T499 VanDerWaalsContact NH2-CB 3.31Å; R442-T499 WeakPolarHBondContact O-CB 3.34Å; R442-T499 PolarHBondContact O-OG1 3.07Å; R442-F528 HydrophobicContact CG-CE2 4.12Å; R442-F528 HydrophobicContact CG-CZ 4.18Å
443	Y	98.7	Very high	98	Very high	34 Å²	34	53.8 Å²	53.8	13%	0.133	25%	0.253	C	S	.	.			trans	-63	128.5	-170.7	179.1	-105.7	0	0	0	113	I423 R439 I440 D445 D449 T459 I460 C461	I423-Y443 HydrophobicContact CD1-CE1 4.34Å; I423-Y443 HydrophobicContact CG2-CD1 3.91Å; I423-Y443 HydrophobicContact CG2-CE1 3.94Å; R439-Y443 PolarHBondContact O-N 3.26Å; I440-Y443 WeakPolarHBondContact O-CB 3.48Å; I440-Y443 PolarHBondContact O-N 3.26Å; I440-Y443 VanDerWaalsContact O-N 3.12Å; Y443-D445 HydrophobicContact CE2-CB 3.97Å; Y443-D449 VanDerWaalsContact CE1-OD2 3.25Å; Y443-D449 WeakPolarHBondContact CE1-OD2 3.31Å; Y443-D449 PolarHBondContact OH-OD2 3.06Å; Y443-T459 PolarHBondContact O-OG1 3.25Å; Y443-I460 HydrophobicContact CD1-CG1 4.34Å; Y443-C461 PolarHBondContact O-N 3.48Å
444	N	98.4	Very high	97.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.			trans	-159.7	91.6	169.2	-171.6	-22.6	0	0	0	110.7	R442 Y446 P456 T459 C461 T499 D502 L504	R442-N444 PolarHBondContact O-N 3.27Å; N444-Y446 WeakPolarHBondContact OD1-CB 3.37Å; N444-Y446 WeakPolarHBondContact OD1-CD1 3.25Å; N444-Y446 PolarHBondContact OD1-N 3.33Å; N444-P456 PolarHBondContact ND2-O 3.27Å; N444-T459 WeakPolarHBondContact CA-OG1 3.32Å; N444-T459 HydrophobicContact CB-CG2 3.89Å; N444-T459 VanDerWaalsContact CG-CG2 3.41Å; N444-T459 VanDerWaalsContact ND2-CG2 3.31Å; N444-T459 WeakPolarHBondContact ND2-CG2 3.27Å; N444-C461 WeakPolarHBondContact CB-O 3.34Å; N444-C461 PolarHBondContact ND2-O 2.79Å; N444-T499 HydrophobicContact CB-CG2 3.66Å; N444-D502 PolarHBondContact N-OD2 3.27Å; N444-L504 HydrophobicContact CB-CD1 3.65Å; N444-L504 VanDerWaalsContact O-CD1 3.28Å; N444-L504 WeakPolarHBondContact O-CD1 3.35Å
445	D	97.6	Very high	97.6	Very high	31 Å²	31	54.4 Å²	54.4	17%	0.166	26%	0.264	C	S	.	.			trans	-110.8	46.3	170.1	-165.6	11.2	0	0	0	110.8	Y443 K447 K448 D449 D502	Y443-D445 HydrophobicContact CE2-CB 3.97Å; D445-K447 PolarHBondContact O-N 3.12Å; D445-K448 PolarHBondContact O-N 3.37Å; D445-K448 WeakPolarHBondContact OD2-CD 3.49Å; D445-D449 PolarHBondContact O-N 2.73Å; D445-D502 HydrophobicContact CB-CB 4.05Å
446	Y	97.3	Very high	97.5	Very high	28 Å²	28	49.5 Å²	49.5	11%	0.11	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.4	-168.1	78.4	-81.3	0	0	0	115.6	N444 S454 N455 P456 L466 L504	N444-Y446 WeakPolarHBondContact OD1-CB 3.37Å; N444-Y446 WeakPolarHBondContact OD1-CD1 3.25Å; N444-Y446 PolarHBondContact OD1-N 3.33Å; Y446-S454 WeakPolarHBondContact CD2-O 3.26Å; Y446-S454 WeakPolarHBondContact O-CA 3.39Å; Y446-S454 PolarHBondContact O-N 3.3Å; Y446-N455 WeakPolarHBondContact CB-O 3.06Å; Y446-P456 HydrophobicContact CD1-CB 3.85Å; Y446-P456 HydrophobicContact CD2-CB 3.89Å; Y446-P456 HydrophobicContact CE1-CB 3.96Å; Y446-P456 HydrophobicContact CE2-CB 3.99Å; Y446-P456 HydrophobicContact CE2-CG 4.39Å; Y446-P456 VanDerWaalsContact CG-CA 3.45Å; Y446-P456 HydrophobicContact CG-CB 3.81Å; Y446-L466 HydrophobicContact CE1-CD1 4.46Å; Y446-L504 HydrophobicContact CD1-CD2 4.12Å; Y446-L504 HydrophobicContact CE1-CD2 3.74Å
447	K	96.9	Very high	97.3	Very high	137 Å²	137	49.4 Å²	49.4	60%	0.596	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.5	178.5	-64.2	179.7	-178.1	173.6	0	112.8	D445	D445-K447 PolarHBondContact O-N 3.12Å
448	K	97.6	Very high	97.1	Very high	157 Å²	157	50.7 Å²	50.7	68%	0.683	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-28.9	-175.5	-57.2	-179.4	-162.9	146.3	0	112.7	D445 P450	D445-K448 PolarHBondContact O-N 3.37Å; D445-K448 WeakPolarHBondContact OD2-CD 3.49Å; K448-P450 WeakPolarHBondContact O-CD 3.5Å
449	D	98	Very high	97	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	24%	0.238	C	C	.	.			trans	-67.6	119	179.3	-164.1	-36.7	0	0	0	110.4	R426 Y443 D445 Y451 S452	R426-D449 IonicContact CZ-OD1 2.81Å; R426-D449 IonicContact CZ-OD2 2.77Å; R426-D449 IonicContact NH1-OD1 3.55Å; R426-D449 PolarHBondContact NH1-OD1 2.87Å; R426-D449 IonicContact NH1-OD2 3.62Å; R426-D449 PolarHBondContact NH1-OD2 3.32Å; R426-D449 IonicContact NH2-OD1 3.55Å; R426-D449 IonicContact NH2-OD2 2.8Å; R426-D449 PolarHBondContact NH2-OD2 3.34Å; Y443-D449 VanDerWaalsContact CE1-OD2 3.25Å; Y443-D449 WeakPolarHBondContact CE1-OD2 3.31Å; Y443-D449 PolarHBondContact OH-OD2 3.06Å; D445-D449 PolarHBondContact O-N 2.73Å; D449-Y451 PolarHBondContact O-N 2.89Å; D449-Y451 PolarHBondContact OD1-N 2.94Å; D449-S452 PolarHBondContact O-N 2.7Å
450	P	97.8	Very high	97	Very high	97 Å²	97	42 Å²	42	63%	0.63	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-62.5	-26.6	-178.6	25.9	-35.9	0	0	0	113.1	K448 S452	K448-P450 WeakPolarHBondContact O-CD 3.5Å; P450-S452 VanDerWaalsContact C-N 3.26Å; P450-S452 PolarHBondContact O-N 3.4Å
451	Y	97.8	Very high	96.9	Very high	78 Å²	78	41.3 Å²	41.3	31%	0.306	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-77	-14.8	178.5	-58.1	-39.9	0	0	0	113.3	P419 K422 I423 R426 D449	P419-Y451 WeakPolarHBondContact CB-O 3.49Å; K422-Y451 HydrophobicContact CB-CD1 4.13Å; K422-Y451 HydrophobicContact CB-CD2 3.75Å; K422-Y451 HydrophobicContact CB-CE1 4.31Å; K422-Y451 HydrophobicContact CB-CE2 3.92Å; K422-Y451 HydrophobicContact CB-CG 3.86Å; K422-Y451 HydrophobicContact CD-CD1 3.92Å; K422-Y451 HydrophobicContact CD-CE1 4.09Å; K422-Y451 HydrophobicContact CD-CG 4.43Å; I423-Y451 HydrophobicContact CG1-CD2 3.96Å; R426-Y451 HydrophobicContact CB-CE2 4.42Å; R426-Y451 VanDerWaalsContact NH1-CD2 3.34Å; D449-Y451 PolarHBondContact O-N 2.89Å; D449-Y451 PolarHBondContact OD1-N 2.94Å
452	S	95.9	Very high	96.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-85.7	-17.8	179.2	-63.4	0	0	0	0	113.6	D449 P450 S454 N455 K458	D449-S452 PolarHBondContact O-N 2.7Å; P450-S452 VanDerWaalsContact C-N 3.26Å; P450-S452 PolarHBondContact O-N 3.4Å; S452-S454 PolarHBondContact O-N 3.34Å; S452-S454 VanDerWaalsContact O-N 3.12Å; S452-N455 WeakPolarHBondContact O-CA 3.49Å; S452-N455 WeakPolarHBondContact O-CB 3.43Å; S452-N455 PolarHBondContact O-N 3.14Å; S452-K458 VanDerWaalsContact CA-O 3.3Å; S452-K458 WeakPolarHBondContact CA-O 3.09Å; S452-K458 WeakPolarHBondContact CB-O 3.42Å; S452-K458 WeakPolarHBondContact O-CB 3.27Å; S452-K458 PolarHBondContact OG-O 3.36Å
453	E	94.6	Very high	96.8	Very high	118 Å²	118	41 Å²	41	55%	0.551	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.1	177.9	-60.1	171.5	-177.7	0	0	113	N455 K458	E453-N455 PolarHBondContact O-N 3.4Å; E453-N455 VanDerWaalsContact O-N 3.09Å; E453-K458 HydrophobicContact CB-CD 4.43Å; E453-K458 IonicContact OE2-NZ 2.67Å; E453-K458 PolarHBondContact OE2-NZ 3.24Å
454	S	95.3	Very high	96.6	Very high	89 Å²	89	40.3 Å²	40.3	62%	0.622	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	15	-174.2	-56.7	0	0	0	0	115.5	Y446 S452	Y446-S454 WeakPolarHBondContact CD2-O 3.26Å; Y446-S454 WeakPolarHBondContact O-CA 3.39Å; Y446-S454 PolarHBondContact O-N 3.3Å; S452-S454 PolarHBondContact O-N 3.34Å; S452-S454 VanDerWaalsContact O-N 3.12Å
455	N	94.4	Very high	96.5	Very high	24 Å²	24	41.2 Å²	41.2	13%	0.128	21%	0.208	C	C	.	.			trans	-97.6	119.1	173.8	-175.9	-27.9	0	0	0	110.6	Y446 S452 E453 C457 K458	Y446-N455 WeakPolarHBondContact CB-O 3.06Å; S452-N455 WeakPolarHBondContact O-CA 3.49Å; S452-N455 WeakPolarHBondContact O-CB 3.43Å; S452-N455 PolarHBondContact O-N 3.14Å; E453-N455 PolarHBondContact O-N 3.4Å; E453-N455 VanDerWaalsContact O-N 3.09Å; N455-C457 PolarHBondContact O-N 3.31Å; N455-C457 PolarHBondContact OD1-N 3.05Å; N455-K458 HydrophobicContact CB-CB 4.18Å; N455-K458 HydrophobicContact CB-CD 4.1Å; N455-K458 HydrophobicContact CB-CG 3.87Å; N455-K458 PolarHBondContact O-N 2.78Å; N455-K458 VanDerWaalsContact O-N 3.1Å
456	P	96	Very high	96.4	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.032	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-2	-176	31.6	-38	0	0	0	114.8	N444 Y446 T459 C462 R463 L466 R467	N444-P456 PolarHBondContact ND2-O 3.27Å; Y446-P456 HydrophobicContact CD1-CB 3.85Å; Y446-P456 HydrophobicContact CD2-CB 3.89Å; Y446-P456 HydrophobicContact CE1-CB 3.96Å; Y446-P456 HydrophobicContact CE2-CB 3.99Å; Y446-P456 HydrophobicContact CE2-CG 4.39Å; Y446-P456 VanDerWaalsContact CG-CA 3.45Å; Y446-P456 HydrophobicContact CG-CB 3.81Å; P456-T459 WeakPolarHBondContact O-CG2 3.32Å; P456-C462 WeakPolarHBondContact O-CA 3.13Å; P456-R463 HydrophobicContact CB-CB 4.17Å; P456-R463 VanDerWaalsContact CB-O 3.27Å; P456-R463 WeakPolarHBondContact CB-O 3.48Å; P456-R463 VanDerWaalsContact CG-O 3.28Å; P456-R463 WeakPolarHBondContact CG-O 3.46Å; P456-R463 PolarHBondContact O-N 3.05Å; P456-L466 HydrophobicContact CB-CB 4.22Å; P456-L466 HydrophobicContact CG-CB 4.37Å; P456-R467 HydrophobicContact CG-CB 4.44Å; P456-R467 HydrophobicContact CG-CG 3.64Å
457	C	94.7	Very high	96.3	Very high	23 Å²	23	43.6 Å²	43.6	16%	0.155	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-2.4	175.4	-68.9	0	0	0	0	114.8	W235 N455 T459 C462 N464	W235-C457 WeakPolarHBondContact CH2-O 3.49Å; N455-C457 PolarHBondContact O-N 3.31Å; N455-C457 PolarHBondContact OD1-N 3.05Å; C457-T459 PolarHBondContact O-N 3.34Å; C457-T459 VanDerWaalsContact O-N 3.09Å; C457-C462 HydrophobicContact CB-CB 3.63Å; C457-C462 WeakPolarHBondContact CB-SG 3.15Å; C457-C462 WeakPolarHBondContact SG-CB 3.33Å; C457-C462 CovalentContact SG-SG 2.04Å; C457-C462 PolarHBondContact SG-SG 3.18Å; C457-N464 VanDerWaalsContact SG-CA 3.53Å; C457-N464 PolarHBondContact SG-N 3.33Å
458	K	95.1	Very high	96	Very high	27 Å²	27	46.4 Å²	46.4	12%	0.117	23%	0.23	C	C	.	.	S	Bend	trans	-85.2	57.5	168.3	-70.7	-167.6	175.4	-153	0	110.3	D412 P419 S452 E453 N455	D412-K458 VanDerWaalsContact CG-NZ 3.26Å; D412-K458 WeakPolarHBondContact OD1-CE 3.35Å; D412-K458 IonicContact OD1-NZ 2.68Å; D412-K458 PolarHBondContact OD1-NZ 3.26Å; D412-K458 WeakPolarHBondContact OD2-CE 3.48Å; D412-K458 IonicContact OD2-NZ 2.78Å; D412-K458 PolarHBondContact OD2-NZ 3.36Å; P419-K458 HydrophobicContact CB-CB 3.79Å; P419-K458 HydrophobicContact CB-CG 4.39Å; P419-K458 HydrophobicContact CG-CB 3.77Å; P419-K458 HydrophobicContact CG-CD 3.79Å; P419-K458 HydrophobicContact CG-CG 3.82Å; S452-K458 VanDerWaalsContact CA-O 3.3Å; S452-K458 WeakPolarHBondContact CA-O 3.09Å; S452-K458 WeakPolarHBondContact CB-O 3.42Å; S452-K458 WeakPolarHBondContact O-CB 3.27Å; S452-K458 PolarHBondContact OG-O 3.36Å; E453-K458 HydrophobicContact CB-CD 4.43Å; E453-K458 IonicContact OE2-NZ 2.67Å; E453-K458 PolarHBondContact OE2-NZ 3.24Å; N455-K458 HydrophobicContact CB-CB 4.18Å; N455-K458 HydrophobicContact CB-CD 4.1Å; N455-K458 HydrophobicContact CB-CG 3.87Å; N455-K458 PolarHBondContact O-N 2.78Å; N455-K458 VanDerWaalsContact O-N 3.1Å
459	T	96.6	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-157	179.9	-172.5	-166.1	0	0	0	0	111.6	W235 R420 Y443 N444 P456 C457	W235-T459 WeakPolarHBondContact CH2-O 3.46Å; W235-T459 WeakPolarHBondContact CZ2-O 3.21Å; R420-T459 VanDerWaalsContact CD-O 3.27Å; R420-T459 WeakPolarHBondContact CD-O 3.28Å; R420-T459 WeakPolarHBondContact CG-O 3.39Å; Y443-T459 PolarHBondContact O-OG1 3.25Å; N444-T459 WeakPolarHBondContact CA-OG1 3.32Å; N444-T459 HydrophobicContact CB-CG2 3.89Å; N444-T459 VanDerWaalsContact CG-CG2 3.41Å; N444-T459 VanDerWaalsContact ND2-CG2 3.31Å; N444-T459 WeakPolarHBondContact ND2-CG2 3.27Å; P456-T459 WeakPolarHBondContact O-CG2 3.32Å; C457-T459 PolarHBondContact O-N 3.34Å; C457-T459 VanDerWaalsContact O-N 3.09Å
460	I	97.9	Very high	95.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-76.6	-32.4	-178.3	-55.1	-51.9	0	0	0	112.8	S216 W235 R420 I423 F424 I440 M441 Y443	S216-I460 PolarHBondContact OG-O 2.91Å; S216-I460 VanDerWaalsContact OG-O 3.09Å; W235-I460 VanDerWaalsContact CE2-O 3.31Å; W235-I460 VanDerWaalsContact CZ2-C 3.49Å; W235-I460 WeakPolarHBondContact CZ2-O 3.47Å; W235-I460 PolarHBondContact NE1-O 3.27Å; R420-I460 HydrophobicContact CB-CD1 4.14Å; R420-I460 HydrophobicContact CG-CD1 4.09Å; I423-I460 HydrophobicContact CB-CD1 4.06Å; I423-I460 HydrophobicContact CB-CG1 4.42Å; I423-I460 HydrophobicContact CG2-CD1 3.83Å; I423-I460 HydrophobicContact CG2-CG1 3.69Å; F424-I460 HydrophobicContact CD1-CD1 4.01Å; F424-I460 HydrophobicContact CD2-CD1 3.71Å; F424-I460 HydrophobicContact CE1-CD1 3.82Å; F424-I460 HydrophobicContact CE1-CG1 4.28Å; F424-I460 HydrophobicContact CE1-CG2 4.13Å; F424-I460 HydrophobicContact CE2-CD1 3.54Å; F424-I460 HydrophobicContact CG-CD1 3.95Å; F424-I460 HydrophobicContact CZ-CD1 3.6Å; F424-I460 HydrophobicContact CZ-CG1 4.31Å; F424-I460 HydrophobicContact CZ-CG2 3.82Å; I440-I460 WeakPolarHBondContact O-CG2 3.5Å; M441-I460 HydrophobicContact SD-CG2 4.41Å; Y443-I460 HydrophobicContact CD1-CG1 4.34Å
461	C	97.9	Very high	94.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-127.9	84.5	177.3	-171.4	0	0	0	0	111.3	R442 Y443 N444 C476 T499	R442-C461 PolarHBondContact NH1-SG 3.18Å; Y443-C461 PolarHBondContact O-N 3.48Å; N444-C461 WeakPolarHBondContact CB-O 3.34Å; N444-C461 PolarHBondContact ND2-O 2.79Å; C461-C476 VanDerWaalsContact C-CB 3.41Å; C461-C476 VanDerWaalsContact CA-CB 3.42Å; C461-C476 WeakPolarHBondContact CA-SG 3.3Å; C461-C476 HydrophobicContact CB-CB 3.71Å; C461-C476 WeakPolarHBondContact CB-SG 3.39Å; C461-C476 WeakPolarHBondContact SG-CB 3.47Å; C461-C476 CovalentContact SG-SG 2.04Å; C461-C476 PolarHBondContact SG-SG 2.89Å; C461-T499 HydrophobicContact CB-CG2 3.99Å; C461-T499 WeakPolarHBondContact O-CG2 3.26Å; C461-T499 VanDerWaalsContact SG-CB 3.58Å
462	C	96.9	Very high	94.6	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.027	26%	0.257	C	S	.	.			trans	-54.6	142.2	-176	155.6	0	0	0	0	114.6	W235 P456 C457 G475 C476	W235-C462 HydrophobicContact CD2-CB 3.71Å; W235-C462 HydrophobicContact CE3-CB 3.42Å; W235-C462 VanDerWaalsContact CE3-CB 3.42Å; W235-C462 HydrophobicContact CH2-CB 3.38Å; W235-C462 HydrophobicContact CZ2-CB 3.65Å; W235-C462 HydrophobicContact CZ3-CB 3.27Å; P456-C462 WeakPolarHBondContact O-CA 3.13Å; C457-C462 HydrophobicContact CB-CB 3.63Å; C457-C462 WeakPolarHBondContact CB-SG 3.15Å; C457-C462 WeakPolarHBondContact SG-CB 3.33Å; C457-C462 CovalentContact SG-SG 2.04Å; C457-C462 PolarHBondContact SG-SG 3.18Å; C462-G475 WeakPolarHBondContact SG-CA 3.31Å; C462-C476 WeakPolarHBondContact O-CB 3.24Å; C462-C476 PolarHBondContact O-N 3.2Å
463	R	97.1	Very high	94.5	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-126	73.4	175.5	-75.2	-67	-56.4	-88.7	2.2	111	P456 D465 L466 P498 T499 L504 P505	P456-R463 HydrophobicContact CB-CB 4.17Å; P456-R463 VanDerWaalsContact CB-O 3.27Å; P456-R463 WeakPolarHBondContact CB-O 3.48Å; P456-R463 VanDerWaalsContact CG-O 3.28Å; P456-R463 WeakPolarHBondContact CG-O 3.46Å; P456-R463 PolarHBondContact O-N 3.05Å; R463-D465 WeakPolarHBondContact CA-OD1 3.36Å; R463-D465 IonicContact CZ-OD1 3.86Å; R463-D465 IonicContact CZ-OD2 2.81Å; R463-D465 IonicContact NE-OD1 3.51Å; R463-D465 PolarHBondContact NE-OD1 3.04Å; R463-D465 IonicContact NE-OD2 3.8Å; R463-D465 PolarHBondContact NE-OD2 3.42Å; R463-D465 IonicContact NH2-OD1 2.61Å; R463-D465 IonicContact NH2-OD2 3.33Å; R463-D465 PolarHBondContact NH2-OD2 3.18Å; R463-D465 PolarHBondContact O-N 3.25Å; R463-L466 HydrophobicContact CB-CB 4.23Å; R463-L466 HydrophobicContact CB-CD1 3.84Å; R463-L466 HydrophobicContact CB-CG 3.99Å; R463-L466 HydrophobicContact CG-CD1 4.18Å; R463-L466 PolarHBondContact O-N 3.5Å; R463-P498 VanDerWaalsContact CD-CB 3.47Å; R463-T499 HydrophobicContact CG-CG2 3.94Å; R463-T499 PolarHBondContact NH1-O 3.22Å; R463-L504 HydrophobicContact CG-CD1 4.11Å; R463-P505 PolarHBondContact NH1-O 3.45Å; R463-P505 PolarHBondContact NH2-O 2.87Å
464	N	94.8	Very high	94.5	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.112	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-65.3	-24.3	-175	-160.7	29.5	0	0	0	112.1	C457 L466 R467 S472 G474	C457-N464 VanDerWaalsContact SG-CA 3.53Å; C457-N464 PolarHBondContact SG-N 3.33Å; N464-L466 PolarHBondContact O-N 3.14Å; N464-R467 WeakPolarHBondContact O-CB 3.28Å; N464-R467 WeakPolarHBondContact O-CG 3.32Å; N464-R467 PolarHBondContact O-N 3.15Å; N464-R467 WeakPolarHBondContact OD1-CD 3.29Å; N464-R467 WeakPolarHBondContact OD1-CG 3.45Å; N464-S472 CarbonylContact C-O 3.39Å; N464-S472 VanDerWaalsContact C-O 3.3Å; N464-G474 WeakPolarHBondContact CB-O 3.3Å; N464-G474 PolarHBondContact N-O 3.34Å
465	D	96.1	Very high	94.5	Very high	18 Å²	18	43.1 Å²	43.1	10%	0.096	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.1	174.6	68.8	-59.2	0	0	0	113.1	Y238 R463 P471 S472 F507 F512	Y238-D465 HydrophobicContact CE2-CB 4.02Å; Y238-D465 PolarHBondContact OH-OD1 2.66Å; R463-D465 WeakPolarHBondContact CA-OD1 3.36Å; R463-D465 IonicContact CZ-OD1 3.86Å; R463-D465 IonicContact CZ-OD2 2.81Å; R463-D465 IonicContact NE-OD1 3.51Å; R463-D465 PolarHBondContact NE-OD1 3.04Å; R463-D465 IonicContact NE-OD2 3.8Å; R463-D465 PolarHBondContact NE-OD2 3.42Å; R463-D465 IonicContact NH2-OD1 2.61Å; R463-D465 IonicContact NH2-OD2 3.33Å; R463-D465 PolarHBondContact NH2-OD2 3.18Å; R463-D465 PolarHBondContact O-N 3.25Å; D465-P471 WeakPolarHBondContact O-CB 3.26Å; D465-S472 VanDerWaalsContact CA-O 3.29Å; D465-S472 WeakPolarHBondContact CA-O 3.23Å; D465-S472 PolarHBondContact N-O 3.17Å; D465-F507 HydrophobicContact CB-CD2 4.23Å; D465-F507 HydrophobicContact CB-CE2 4.29Å; D465-F512 HydrophobicContact CB-CE2 3.81Å; D465-F512 HydrophobicContact CB-CZ 3.76Å
466	L	96.7	Very high	94.6	Very high	36 Å²	36	42 Å²	42	19%	0.188	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-96.6	5	177	-60.3	-175.8	0	0	0	113.6	Y446 P456 R463 N464 L504 P505	Y446-L466 HydrophobicContact CE1-CD1 4.46Å; P456-L466 HydrophobicContact CB-CB 4.22Å; P456-L466 HydrophobicContact CG-CB 4.37Å; R463-L466 HydrophobicContact CB-CB 4.23Å; R463-L466 HydrophobicContact CB-CD1 3.84Å; R463-L466 HydrophobicContact CB-CG 3.99Å; R463-L466 HydrophobicContact CG-CD1 4.18Å; R463-L466 PolarHBondContact O-N 3.5Å; N464-L466 PolarHBondContact O-N 3.14Å; L466-L504 HydrophobicContact CD1-CD2 3.85Å; L466-P505 HydrophobicContact CD1-CG 4.46Å; L466-P505 HydrophobicContact CD2-CG 3.95Å
467	R	93.4	Very high	94.7	Very high	73 Å²	73	41.9 Å²	41.9	28%	0.275	20%	0.197	S	C	.	.			trans	-62.8	142.4	173.3	-74.1	-165.9	72.2	-164.3	0.7	110.6	P456 N464	P456-R467 HydrophobicContact CG-CB 4.44Å; P456-R467 HydrophobicContact CG-CG 3.64Å; N464-R467 WeakPolarHBondContact O-CB 3.28Å; N464-R467 WeakPolarHBondContact O-CG 3.32Å; N464-R467 PolarHBondContact O-N 3.15Å; N464-R467 WeakPolarHBondContact OD1-CD 3.29Å; N464-R467 WeakPolarHBondContact OD1-CG 3.45Å
468	F	91.5	Very high	94.9	Very high	196 Å²	196	40.8 Å²	40.8	86%	0.86	19%	0.189	S	C	*	.	S	Bend	trans	-66.8	-44.1	174.7	-179	-103.6	0	0	0	111.5
469	E	88.9	Confident	95.1	Very high	128 Å²	128	39.5 Å²	39.5	60%	0.598	18%	0.184	S	C	*	.	S	Bend	trans	-103.2	130.9	178.5	-57.6	-168.7	165.9	0	0	110.9
470	R	86.8	Confident	95.2	Very high	228 Å²	228	39.5 Å²	39.5	86%	0.86	18%	0.184	S	C	*	.	S	Bend	trans	48.5	55.9	176	-56	180	-176.6	-175.1	-0.4	112.4	S472	R470-S472 PolarHBondContact O-N 2.96Å
471	P	93	Very high	95.2	Very high	62 Å²	62	39.5 Å²	39.5	40%	0.403	18%	0.184	S	C	.	.			trans	-58.1	143.1	174.4	28	-35.1	0	0	0	109.6	D465 F512	D465-P471 WeakPolarHBondContact O-CB 3.26Å; P471-F512 HydrophobicContact CB-CE1 4.24Å; P471-F512 HydrophobicContact CB-CZ 4.12Å
472	S	92.1	Very high	95.3	Very high	51 Å²	51	39.5 Å²	39.5	36%	0.357	18%	0.184	S	C	.	.			trans	-139.9	142.8	179.6	178.3	0	0	0	0	108.8	N464 D465 R470 G474	N464-S472 CarbonylContact C-O 3.39Å; N464-S472 VanDerWaalsContact C-O 3.3Å; D465-S472 VanDerWaalsContact CA-O 3.29Å; D465-S472 WeakPolarHBondContact CA-O 3.23Å; D465-S472 PolarHBondContact N-O 3.17Å; R470-S472 PolarHBondContact O-N 2.96Å; S472-G474 PolarHBondContact O-N 3.05Å
473	P	94.6	Very high	95.4	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.032	19%	0.189	C	C	.	.	S	Bend	trans	-76.2	78.2	-177.6	33.1	-33.3	0	0	0	109.6	Y238 F507 W509 F512 I515	Y238-P473 WeakPolarHBondContact CB-O 3.38Å; Y238-P473 HydrophobicContact CD2-CB 3.8Å; Y238-P473 VanDerWaalsContact CG-C 3.49Å; Y238-P473 HydrophobicContact CG-CB 4.32Å; Y238-P473 PolarHBondContact N-O 3.24Å; P473-F507 HydrophobicContact CB-CE2 4.01Å; P473-F507 HydrophobicContact CB-CZ 3.94Å; P473-W509 HydrophobicContact CB-CH2 4.25Å; P473-W509 HydrophobicContact CB-CZ3 3.9Å; P473-W509 HydrophobicContact CG-CZ3 3.99Å; P473-F512 HydrophobicContact CB-CB 4.17Å; P473-F512 HydrophobicContact CB-CD1 4.19Å; P473-F512 HydrophobicContact CB-CD2 4.06Å; P473-F512 HydrophobicContact CB-CG 3.86Å; P473-F512 HydrophobicContact CG-CB 4Å; P473-F512 HydrophobicContact CG-CD1 3.97Å; P473-F512 HydrophobicContact CG-CG 3.94Å; P473-I515 HydrophobicContact CG-CB 4.41Å; P473-I515 HydrophobicContact CG-CG1 3.88Å; P473-I515 HydrophobicContact CG-CG2 4.39Å
474	G	93.8	Very high	95.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	169	179.9	0	0	0	0	0	112.6	Y236 Y238 N464 S472	Y236-G474 CarbonylContact O-C 3.23Å; Y236-G474 VanDerWaalsContact O-CA 3.27Å; Y236-G474 WeakPolarHBondContact O-CA 3.42Å; Y238-G474 VanDerWaalsContact CZ-C 3.47Å; Y238-G474 VanDerWaalsContact CZ-O 3.24Å; Y238-G474 PolarHBondContact OH-O 3.33Å; Y238-G474 VanDerWaalsContact OH-O 3.11Å; N464-G474 WeakPolarHBondContact CB-O 3.3Å; N464-G474 PolarHBondContact N-O 3.34Å; S472-G474 PolarHBondContact O-N 3.05Å
475	G	95.8	Very high	95.5	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.2	-157.1	-173.8	0	0	0	0	0	110.4	W235 Y236 C462 Y477	W235-G475 CarbonylContact C-O 3.59Å; W235-G475 WeakPolarHBondContact CA-O 3.44Å; Y236-G475 PolarHBondContact N-O 2.67Å; Y236-G475 PolarHBondContact O-N 2.81Å; Y236-G475 VanDerWaalsContact O-O 3.13Å; C462-G475 WeakPolarHBondContact SG-CA 3.31Å; G475-Y477 PolarHBondContact O-N 2.7Å
476	C	97.9	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	125.9	-179.3	179.7	0	0	0	0	111.1	S234 W235 R442 C461 C462 P498	S234-C476 CarbonylContact O-C 3.59Å; S234-C476 VanDerWaalsContact O-CA 3.24Å; S234-C476 WeakPolarHBondContact O-CA 3.33Å; W235-C476 VanDerWaalsContact CD1-CA 3.44Å; W235-C476 VanDerWaalsContact CD1-CB 3.4Å; W235-C476 HydrophobicContact CD2-CB 4.46Å; W235-C476 HydrophobicContact CG-CB 4.03Å; R442-C476 PolarHBondContact NH1-SG 2.9Å; C461-C476 VanDerWaalsContact C-CB 3.41Å; C461-C476 VanDerWaalsContact CA-CB 3.42Å; C461-C476 WeakPolarHBondContact CA-SG 3.3Å; C461-C476 HydrophobicContact CB-CB 3.71Å; C461-C476 WeakPolarHBondContact CB-SG 3.39Å; C461-C476 WeakPolarHBondContact SG-CB 3.47Å; C461-C476 CovalentContact SG-SG 2.04Å; C461-C476 PolarHBondContact SG-SG 2.89Å; C462-C476 WeakPolarHBondContact O-CB 3.24Å; C462-C476 PolarHBondContact O-N 3.2Å; C476-P498 WeakPolarHBondContact O-CA 3.46Å
477	Y	97.4	Very high	95.7	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.016	21%	0.21	C	C	.	.			trans	-130.6	3.3	179.4	63.4	-127.8	0	0	0	114.6	S234 Y238 A240 T241 Y267 G475 N496 G497	S234-Y477 VanDerWaalsContact CB-CE2 3.44Å; S234-Y477 PolarHBondContact O-N 2.86Å; Y238-Y477 HydrophobicContact CD1-CD1 4.28Å; A240-Y477 HydrophobicContact CB-CE1 4.05Å; T241-Y477 HydrophobicContact CG2-CD1 3.96Å; T241-Y477 HydrophobicContact CG2-CD2 4.16Å; T241-Y477 HydrophobicContact CG2-CG 3.64Å; Y267-Y477 VanDerWaalsContact OH-CE2 3.29Å; Y267-Y477 WeakPolarHBondContact OH-CE2 3.44Å; Y267-Y477 VanDerWaalsContact OH-CZ 3.31Å; Y267-Y477 PolarHBondContact OH-OH 3.43Å; G475-Y477 PolarHBondContact O-N 2.7Å; Y477-N496 CarbonylContact O-C 3.33Å; Y477-N496 PolarHBondContact O-OD1 3.34Å; Y477-G497 CarbonylContact C-O 3.54Å; Y477-G497 VanDerWaalsContact C-O 3.25Å; Y477-G497 WeakPolarHBondContact CA-O 3.1Å; Y477-G497 CarbonylContact O-C 3.31Å; Y477-G497 WeakPolarHBondContact O-CA 3.32Å; Y477-G497 PolarHBondContact O-N 3.02Å
478	D	98.7	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	172.4	170.1	71.1	36	0	0	0	111.4	W65 S233 S234 R243 R442 K480 V495	W65-D478 HydrophobicContact CZ2-CB 4.31Å; S233-D478 VanDerWaalsContact CA-O 3.3Å; S233-D478 WeakPolarHBondContact CA-O 3.34Å; S233-D478 VanDerWaalsContact CB-O 3.31Å; S233-D478 WeakPolarHBondContact CB-O 3.3Å; S233-D478 PolarHBondContact OG-O 2.72Å; S234-D478 WeakPolarHBondContact CB-OD1 3.42Å; S234-D478 WeakPolarHBondContact CB-OD2 3.38Å; S234-D478 PolarHBondContact N-OD1 3.42Å; S234-D478 PolarHBondContact OG-OD1 3.3Å; S234-D478 PolarHBondContact OG-OD2 3.4Å; S234-D478 VanDerWaalsContact OG-OD2 3.12Å; R243-D478 IonicContact CZ-OD2 3.46Å; R243-D478 VanDerWaalsContact NH1-CB 3.32Å; R243-D478 IonicContact NH1-OD2 2.7Å; R243-D478 PolarHBondContact NH1-OD2 3.3Å; R243-D478 IonicContact NH2-OD2 3.61Å; R243-D478 PolarHBondContact NH2-OD2 3.15Å; R442-D478 PolarHBondContact NH1-O 2.76Å; D478-K480 HydrophobicContact CB-CD 4.41Å; D478-K480 IonicContact OD1-NZ 2.84Å; D478-K480 PolarHBondContact OD1-NZ 2.9Å; D478-K480 IonicContact OD2-NZ 3.79Å; D478-K480 PolarHBondContact OD2-NZ 3.34Å; D478-V495 WeakPolarHBondContact CA-O 3.29Å; D478-V495 WeakPolarHBondContact CB-O 3.36Å
479	T	98.9	Very high	96	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	135.9	158.1	-63.2	0	0	0	0	108.6	H232 S233 M441 R442 V481 A494 V495 F528	H232-T479 CarbonylContact O-C 3.55Å; H232-T479 WeakPolarHBondContact O-CA 3.4Å; S233-T479 PolarHBondContact OG-OG1 3.27Å; M441-T479 HydrophobicContact CB-CG2 3.59Å; M441-T479 HydrophobicContact CG-CG2 4.47Å; R442-T479 WeakPolarHBondContact CD-OG1 3.48Å; R442-T479 PolarHBondContact NH1-OG1 3.01Å; T479-V481 HydrophobicContact CG2-CG1 3.86Å; T479-A494 CarbonylContact O-C 3.58Å; T479-A494 VanDerWaalsContact O-CA 3.26Å; T479-A494 WeakPolarHBondContact O-CA 2.98Å; T479-V495 PolarHBondContact N-O 2.78Å; T479-V495 VanDerWaalsContact N-O 3.11Å; T479-V495 PolarHBondContact O-N 3.35Å; T479-F528 HydrophobicContact CG2-CE1 3.95Å; T479-F528 HydrophobicContact CG2-CZ 3.81Å
480	K	98.9	Very high	96.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	168.5	-61.9	78.8	55.8	170	0	108.2	W65 A231 H232 S234 Y245 S265 D275 F277 D478 E493 A494	W65-K480 HydrophobicContact CH2-CD 4.37Å; A231-K480 VanDerWaalsContact CA-O 3.24Å; A231-K480 WeakPolarHBondContact CA-O 3.41Å; H232-K480 PolarHBondContact N-O 3.06Å; H232-K480 PolarHBondContact ND1-NZ 3.21Å; H232-K480 PolarHBondContact O-N 2.99Å; S234-K480 PolarHBondContact OG-NZ 2.71Å; Y245-K480 HydrophobicContact CE2-CG 4.5Å; S265-K480 WeakPolarHBondContact OG-CD 3.48Å; S265-K480 VanDerWaalsContact OG-CE 3.26Å; S265-K480 WeakPolarHBondContact OG-CE 3.29Å; D275-K480 VanDerWaalsContact CB-NZ 3.34Å; D275-K480 IonicContact OD1-NZ 2.93Å; D275-K480 IonicContact OD2-NZ 2.65Å; D275-K480 PolarHBondContact OD2-NZ 3.28Å; F277-K480 HydrophobicContact CB-CB 4.42Å; F277-K480 HydrophobicContact CD1-CB 4.06Å; F277-K480 HydrophobicContact CD1-CG 4.41Å; F277-K480 HydrophobicContact CD2-CB 3.71Å; F277-K480 HydrophobicContact CE1-CB 4.24Å; F277-K480 HydrophobicContact CE2-CB 3.85Å; F277-K480 HydrophobicContact CG-CB 3.81Å; F277-K480 HydrophobicContact CG-CG 4.29Å; F277-K480 HydrophobicContact CZ-CB 4.13Å; D478-K480 HydrophobicContact CB-CD 4.41Å; D478-K480 IonicContact OD1-NZ 2.84Å; D478-K480 PolarHBondContact OD1-NZ 2.9Å; D478-K480 IonicContact OD2-NZ 3.79Å; D478-K480 PolarHBondContact OD2-NZ 3.34Å; K480-E493 CarbonylContact C-O 3.5Å; K480-E493 WeakPolarHBondContact CA-O 3.05Å; K480-A494 HydrophobicContact CG-CB 3.93Å
481	V	98.9	Very high	97	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.6	177.2	-59.4	0	0	0	0	110.3	F230 A231 L434 L437 K438 T479 A492 E493 F528	F230-V481 CarbonylContact O-C 3.58Å; F230-V481 WeakPolarHBondContact O-CA 3.3Å; A231-V481 HydrophobicContact CB-CB 4.49Å; A231-V481 HydrophobicContact CB-CG1 3.81Å; L434-V481 HydrophobicContact CD1-CB 3.88Å; L434-V481 HydrophobicContact CD1-CG2 3.8Å; L434-V481 HydrophobicContact CD2-CG2 4.17Å; L434-V481 HydrophobicContact CG-CB 4.41Å; L434-V481 HydrophobicContact CG-CG2 3.83Å; L437-V481 HydrophobicContact CD2-CB 3.98Å; L437-V481 HydrophobicContact CD2-CG1 3.92Å; L437-V481 HydrophobicContact CG-CG1 4.06Å; K438-V481 HydrophobicContact CD-CG2 4.33Å; K438-V481 HydrophobicContact CG-CG1 4.02Å; K438-V481 HydrophobicContact CG-CG2 3.76Å; T479-V481 HydrophobicContact CG2-CG1 3.86Å; V481-A492 CarbonylContact O-C 3.42Å; V481-A492 VanDerWaalsContact O-CA 3.32Å; V481-A492 WeakPolarHBondContact O-CA 3.29Å; V481-A492 WeakPolarHBondContact O-CB 3.3Å; V481-E493 HydrophobicContact CG2-CB 3.77Å; V481-E493 PolarHBondContact N-O 3.1Å; V481-E493 PolarHBondContact O-N 2.94Å; V481-F528 HydrophobicContact CG1-CE1 4.46Å; V481-F528 HydrophobicContact CG2-CE1 4.3Å
482	T	98.9	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	170.5	166.5	-166	0	0	0	0	109	F230 F277 L279 M285 M486 A487 V491	F230-T482 HydrophobicContact CB-CG2 3.91Å; F230-T482 HydrophobicContact CD1-CG2 4.08Å; F230-T482 HydrophobicContact CG-CG2 4.44Å; F230-T482 PolarHBondContact N-O 3.01Å; F230-T482 PolarHBondContact O-N 3.05Å; F277-T482 HydrophobicContact CE2-CG2 4.49Å; F277-T482 HydrophobicContact CZ-CG2 3.89Å; L279-T482 HydrophobicContact CD2-CG2 3.87Å; M285-T482 HydrophobicContact SD-CG2 4.22Å; T482-M486 VanDerWaalsContact OG1-CB 3.23Å; T482-M486 WeakPolarHBondContact OG1-CB 3.4Å; T482-A487 HydrophobicContact CG2-CB 4.13Å; T482-A487 PolarHBondContact OG1-N 3.06Å; T482-V491 WeakPolarHBondContact CB-O 3.48Å; T482-V491 PolarHBondContact OG1-O 3.21Å
483	D	98.7	Very high	97.6	Very high	25 Å²	25	21.6 Å²	21.6	13%	0.134	10%	0.104	C	C	.	.			trans	-122.3	-179.3	169.9	69.6	33.8	0	0	0	110.7	D227 L228 L229 L434 Y485 M486 A487	D227-D483 WeakPolarHBondContact OD2-CB 3.39Å; L228-D483 CarbonylContact O-C 3.59Å; L228-D483 WeakPolarHBondContact O-CA 3.38Å; L229-D483 HydrophobicContact CD2-CB 3.69Å; L434-D483 HydrophobicContact CD1-CB 4.47Å; D483-Y485 VanDerWaalsContact C-N 3.27Å; D483-Y485 PolarHBondContact O-N 3.02Å; D483-Y485 WeakPolarHBondContact OD1-CA 3.43Å; D483-Y485 PolarHBondContact OD1-N 3.05Å; D483-M486 WeakPolarHBondContact OD1-CB 3.4Å; D483-M486 WeakPolarHBondContact OD1-CG 3.35Å; D483-M486 PolarHBondContact OD1-N 2.95Å; D483-A487 VanDerWaalsContact O-CB 3.26Å; D483-A487 WeakPolarHBondContact O-CB 3.25Å; D483-A487 PolarHBondContact O-N 3.08Å
484	F	97.9	Very high	97.8	Very high	30 Å²	30	21.3 Å²	21.3	13%	0.132	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-32	-176.2	-168.8	-92.8	0	0	0	112.7	D227 L228 R347 V350 L352	D227-F484 WeakPolarHBondContact OD1-CB 3.23Å; D227-F484 PolarHBondContact OD1-N 3.03Å; L228-F484 HydrophobicContact CB-CB 4.3Å; L228-F484 HydrophobicContact CB-CD2 4.24Å; L228-F484 PolarHBondContact O-N 2.81Å; R347-F484 HydrophobicContact CB-CE2 3.72Å; R347-F484 HydrophobicContact CB-CZ 4.11Å; R347-F484 HydrophobicContact CG-CD2 4.31Å; R347-F484 HydrophobicContact CG-CE2 3.91Å; R347-F484 PolarHBondContact NH1-O 2.66Å; V350-F484 HydrophobicContact CB-CD2 4.43Å; V350-F484 HydrophobicContact CB-CE2 3.71Å; V350-F484 HydrophobicContact CB-CZ 4.32Å; V350-F484 HydrophobicContact CG1-CD2 4.27Å; V350-F484 HydrophobicContact CG1-CE2 3.96Å; V350-F484 HydrophobicContact CG2-CE2 4.5Å; L352-F484 HydrophobicContact CD1-CB 4.03Å; L352-F484 HydrophobicContact CD1-CD1 3.46Å; L352-F484 VanDerWaalsContact CD1-CD1 3.46Å; L352-F484 HydrophobicContact CD1-CE1 4.11Å; L352-F484 HydrophobicContact CD1-CG 3.87Å; L352-F484 HydrophobicContact CD2-CB 4.47Å; L352-F484 HydrophobicContact CD2-CD1 4.48Å; L352-F484 HydrophobicContact CD2-CG 4.24Å; L352-F484 HydrophobicContact CG-CD1 3.96Å; L352-F484 HydrophobicContact CG-CE1 4.23Å; L352-F484 HydrophobicContact CG-CG 4.22Å
485	Y	96.7	Very high	98	Very high	140 Å²	140	21.7 Å²	21.7	55%	0.549	11%	0.105	S	C	.	.	H	α-helix	trans	-84.9	-41.2	-178.2	-60.8	-79	0	0	0	112	L352 D483 A487 D488 N489	L352-Y485 HydrophobicContact CD1-CE1 4.16Å; L352-Y485 HydrophobicContact CD1-CE2 3.68Å; L352-Y485 VanDerWaalsContact CD1-CZ 3.45Å; L352-Y485 VanDerWaalsContact CD1-OH 3.27Å; L352-Y485 WeakPolarHBondContact CD1-OH 3.49Å; D483-Y485 VanDerWaalsContact C-N 3.27Å; D483-Y485 PolarHBondContact O-N 3.02Å; D483-Y485 WeakPolarHBondContact OD1-CA 3.43Å; D483-Y485 PolarHBondContact OD1-N 3.05Å; Y485-A487 VanDerWaalsContact C-N 3.33Å; Y485-A487 PolarHBondContact O-N 3.45Å; Y485-D488 WeakPolarHBondContact O-CB 3.38Å; Y485-D488 PolarHBondContact O-N 3.1Å; Y485-N489 PolarHBondContact O-ND2 2.97Å; Y485-N489 VanDerWaalsContact O-ND2 3.09Å
486	M	98.2	Very high	98.2	Very high	21 Å²	21	21.7 Å²	21.7	10%	0.103	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-43.9	175.7	-74.4	177.1	65.8	0	0	111.1	L434 T482 D483 D488 N489 F490 V491 E493	L434-M486 HydrophobicContact CD2-CE 4.13Å; L434-M486 HydrophobicContact CD2-SD 3.64Å; T482-M486 VanDerWaalsContact OG1-CB 3.23Å; T482-M486 WeakPolarHBondContact OG1-CB 3.4Å; D483-M486 WeakPolarHBondContact OD1-CB 3.4Å; D483-M486 WeakPolarHBondContact OD1-CG 3.35Å; D483-M486 PolarHBondContact OD1-N 2.95Å; M486-D488 PolarHBondContact O-N 2.04Å; M486-N489 CarbonylContact O-C 3.58Å; M486-N489 PolarHBondContact O-N 3.34Å; M486-F490 PolarHBondContact O-N 3.25Å; M486-V491 CarbonylContact C-O 3.59Å; M486-V491 HydrophobicContact CB-CB 4Å; M486-V491 HydrophobicContact CB-CG1 4.47Å; M486-V491 HydrophobicContact CE-CB 4.29Å; M486-V491 HydrophobicContact CE-CG1 3.6Å; M486-V491 HydrophobicContact CG-CB 4.43Å; M486-V491 HydrophobicContact CG-CG1 4.44Å; M486-V491 WeakPolarHBondContact O-CB 3.5Å; M486-V491 PolarHBondContact O-N 2.69Å; M486-E493 HydrophobicContact CE-CG 4.16Å
487	A	97.7	Very high	98.2	Very high	7 Å²	7	21.8 Å²	21.8	6%	0.058	11%	0.106	C	C	.	.	H	α-helix	trans	-61.5	-28.8	179.7	0	0	0	0	0	113.6	L279 M285 T482 D483 Y485 N489 F490	L279-A487 HydrophobicContact CD2-CB 3.99Å; M285-A487 HydrophobicContact CG-CB 4.19Å; M285-A487 HydrophobicContact SD-CB 3.38Å; M285-A487 WeakPolarHBondContact SD-CB 3.49Å; T482-A487 HydrophobicContact CG2-CB 4.13Å; T482-A487 PolarHBondContact OG1-N 3.06Å; D483-A487 VanDerWaalsContact O-CB 3.26Å; D483-A487 WeakPolarHBondContact O-CB 3.25Å; D483-A487 PolarHBondContact O-N 3.08Å; Y485-A487 VanDerWaalsContact C-N 3.33Å; Y485-A487 PolarHBondContact O-N 3.45Å; A487-N489 PolarHBondContact O-N 2.95Å; A487-F490 PolarHBondContact O-N 3.03Å
488	D	94.9	Very high	98.2	Very high	92 Å²	92	22 Å²	22	49%	0.492	11%	0.107	S	C	.	.	H	α-helix	trans	-64	-32.5	177.2	-165	53.1	0	0	0	110.7	R347 Y485 M486 P538	R347-D488 IonicContact CZ-OD1 3.19Å; R347-D488 VanDerWaalsContact NH2-CG 3.29Å; R347-D488 IonicContact NH2-OD1 3.98Å; R347-D488 PolarHBondContact NH2-OD1 2.92Å; Y485-D488 WeakPolarHBondContact O-CB 3.38Å; Y485-D488 PolarHBondContact O-N 3.1Å; M486-D488 PolarHBondContact O-N 2.04Å; D488-P538 WeakPolarHBondContact O-CB 3.45Å
489	N	97.1	Very high	98.2	Very high	74 Å²	74	22 Å²	22	40%	0.396	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	16.1	-178.3	-60.5	-82.4	0	0	0	112.6	Y485 M486 A487 V491 P538	Y485-N489 PolarHBondContact O-ND2 2.97Å; Y485-N489 VanDerWaalsContact O-ND2 3.09Å; M486-N489 CarbonylContact O-C 3.58Å; M486-N489 PolarHBondContact O-N 3.34Å; A487-N489 PolarHBondContact O-N 2.95Å; N489-V491 HydrophobicContact CB-CG2 3.85Å; N489-V491 WeakPolarHBondContact O-CG2 3.37Å; N489-V491 PolarHBondContact O-N 3.1Å; N489-P538 VanDerWaalsContact CA-CG 3.44Å; N489-P538 HydrophobicContact CB-CG 3.92Å
490	F	98.2	Very high	98.1	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.031	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	29.6	-175.4	-64.1	-90.3	0	0	0	114	K261 S263 L279 G281 M486 A487 P533 F536 P538	K261-F490 HydrophobicContact CB-CE1 4.12Å; K261-F490 HydrophobicContact CB-CE2 4.5Å; K261-F490 HydrophobicContact CB-CZ 3.66Å; K261-F490 HydrophobicContact CD-CE2 4.34Å; K261-F490 HydrophobicContact CD-CZ 4.23Å; S263-F490 WeakPolarHBondContact OG-CB 3.38Å; S263-F490 WeakPolarHBondContact OG-CD1 3.27Å; L279-F490 HydrophobicContact CB-CD1 4.11Å; G281-F490 VanDerWaalsContact CA-CZ 3.43Å; M486-F490 PolarHBondContact O-N 3.25Å; A487-F490 PolarHBondContact O-N 3.03Å; F490-P533 HydrophobicContact CB-CG 3.99Å; F490-F536 AromaticContact CD2-CE2 3.96Å; F490-F536 HydrophobicContact CD2-CE2 3.96Å; F490-F536 HydrophobicContact CE2-CE2 4.11Å; F490-F536 HydrophobicContact CG-CE2 4.28Å; F490-P538 HydrophobicContact CD2-CB 4.14Å; F490-P538 HydrophobicContact CD2-CG 4.42Å; F490-P538 HydrophobicContact CE2-CB 4.23Å
491	V	98.6	Very high	97.9	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.03	13%	0.131	C	C	.	.			trans	-96	138.4	-178.4	-173	0	0	0	0	110.7	L279 T482 M486 N489 R530 M531 Q532	L279-V491 WeakPolarHBondContact CD1-O 3.28Å; T482-V491 WeakPolarHBondContact CB-O 3.48Å; T482-V491 PolarHBondContact OG1-O 3.21Å; M486-V491 CarbonylContact C-O 3.59Å; M486-V491 HydrophobicContact CB-CB 4Å; M486-V491 HydrophobicContact CB-CG1 4.47Å; M486-V491 HydrophobicContact CE-CB 4.29Å; M486-V491 HydrophobicContact CE-CG1 3.6Å; M486-V491 HydrophobicContact CG-CB 4.43Å; M486-V491 HydrophobicContact CG-CG1 4.44Å; M486-V491 WeakPolarHBondContact O-CB 3.5Å; M486-V491 PolarHBondContact O-N 2.69Å; N489-V491 HydrophobicContact CB-CG2 3.85Å; N489-V491 WeakPolarHBondContact O-CG2 3.37Å; N489-V491 PolarHBondContact O-N 3.1Å; V491-R530 HydrophobicContact CG1-CG 3.86Å; V491-M531 VanDerWaalsContact CA-O 3.3Å; V491-M531 WeakPolarHBondContact CA-O 3.34Å; V491-Q532 HydrophobicContact CG1-CB 4.42Å; V491-Q532 HydrophobicContact CG2-CB 3.91Å
492	A	98.8	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	163.6	166	0	0	0	0	0	110.2	Y245 F277 V481 M531	Y245-A492 HydrophobicContact CE2-CB 4.5Å; Y245-A492 WeakPolarHBondContact OH-CB 3.48Å; F277-A492 HydrophobicContact CE1-CB 3.91Å; F277-A492 HydrophobicContact CZ-CB 4.08Å; V481-A492 CarbonylContact O-C 3.42Å; V481-A492 VanDerWaalsContact O-CA 3.32Å; V481-A492 WeakPolarHBondContact O-CA 3.29Å; V481-A492 WeakPolarHBondContact O-CB 3.3Å; A492-M531 PolarHBondContact N-O 3.15Å; A492-M531 PolarHBondContact O-N 3.38Å
493	E	98.9	Very high	97.3	Very high	40 Å²	40	32.4 Å²	32.4	19%	0.187	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.6	159	-69.7	-173	-138.1	0	0	109.8	L434 K438 K480 V481 M486 F528 V529	L434-E493 HydrophobicContact CD2-CG 4.41Å; L434-E493 WeakPolarHBondContact CD2-OE1 2.98Å; K438-E493 WeakPolarHBondContact CE-OE2 3.43Å; K438-E493 IonicContact NZ-OE1 3.6Å; K438-E493 PolarHBondContact NZ-OE1 3.21Å; K438-E493 IonicContact NZ-OE2 2.71Å; K438-E493 PolarHBondContact NZ-OE2 2.92Å; K480-E493 CarbonylContact C-O 3.5Å; K480-E493 WeakPolarHBondContact CA-O 3.05Å; V481-E493 HydrophobicContact CG2-CB 3.77Å; V481-E493 PolarHBondContact N-O 3.1Å; V481-E493 PolarHBondContact O-N 2.94Å; M486-E493 HydrophobicContact CE-CG 4.16Å; E493-F528 HydrophobicContact CB-CB 4.43Å; E493-F528 HydrophobicContact CB-CD1 4.03Å; E493-V529 CarbonylContact C-O 3.59Å; E493-V529 WeakPolarHBondContact CA-O 3.45Å
494	A	98.9	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.4	-178.3	0	0	0	0	0	112.3	W65 Y245 T479 K480 F528 V529 M531	W65-A494 HydrophobicContact CH2-CB 4.49Å; W65-A494 HydrophobicContact CZ2-CB 3.81Å; Y245-A494 HydrophobicContact CD2-CB 4.36Å; Y245-A494 HydrophobicContact CE2-CB 4.36Å; T479-A494 CarbonylContact O-C 3.58Å; T479-A494 VanDerWaalsContact O-CA 3.26Å; T479-A494 WeakPolarHBondContact O-CA 2.98Å; K480-A494 HydrophobicContact CG-CB 3.93Å; A494-F528 WeakPolarHBondContact O-CA 3.07Å; A494-V529 PolarHBondContact N-O 2.87Å; A494-V529 WeakPolarHBondContact O-CG2 3.44Å; A494-V529 PolarHBondContact O-N 3.44Å; A494-M531 HydrophobicContact CB-CE 3.97Å; A494-M531 HydrophobicContact CB-CG 4.09Å
495	V	98.8	Very high	97.2	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.8	171.3	64.1	0	0	0	0	109.1	D478 T479 F526 F528	D478-V495 WeakPolarHBondContact CA-O 3.29Å; D478-V495 WeakPolarHBondContact CB-O 3.36Å; T479-V495 PolarHBondContact N-O 2.78Å; T479-V495 VanDerWaalsContact N-O 3.11Å; T479-V495 PolarHBondContact O-N 3.35Å; V495-F526 HydrophobicContact CG2-CB 4.48Å; V495-F526 WeakPolarHBondContact CG2-O 2.92Å; V495-F528 HydrophobicContact CB-CD1 4.03Å; V495-F528 HydrophobicContact CB-CD2 4.01Å; V495-F528 HydrophobicContact CB-CE1 4.13Å; V495-F528 HydrophobicContact CB-CE2 4.11Å; V495-F528 HydrophobicContact CB-CG 3.98Å; V495-F528 HydrophobicContact CB-CZ 4.18Å; V495-F528 HydrophobicContact CG1-CD1 4.12Å; V495-F528 HydrophobicContact CG1-CD2 4.08Å; V495-F528 HydrophobicContact CG1-CE1 3.69Å; V495-F528 HydrophobicContact CG1-CE2 3.65Å; V495-F528 HydrophobicContact CG1-CG 4.31Å; V495-F528 HydrophobicContact CG1-CZ 3.44Å; V495-F528 VanDerWaalsContact CG1-CZ 3.44Å
496	N	98.6	Very high	97.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.3	171.4	-176.1	25.7	0	0	0	109.5	G64 W65 T241 R243 Y477 F526	G64-N496 WeakPolarHBondContact O-CB 3.38Å; G64-N496 VanDerWaalsContact O-CG 3.31Å; G64-N496 PolarHBondContact O-ND2 3.44Å; W65-N496 HydrophobicContact CD2-CB 4.45Å; W65-N496 HydrophobicContact CZ2-CB 4.21Å; T241-N496 PolarHBondContact O-ND2 2.77Å; R243-N496 HydrophobicContact CG-CB 4.23Å; R243-N496 VanDerWaalsContact CG-CG 3.41Å; R243-N496 VanDerWaalsContact CG-ND2 3.29Å; R243-N496 WeakPolarHBondContact CG-ND2 3.46Å; R243-N496 WeakPolarHBondContact CG-OD1 3.18Å; Y477-N496 CarbonylContact O-C 3.33Å; Y477-N496 PolarHBondContact O-OD1 3.34Å; N496-F526 WeakPolarHBondContact O-CD2 3.45Å
497	G	97.9	Very high	97.2	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.031	17%	0.172	C	C	.	.	S	Bend	trans	114.9	161.1	179.5	0	0	0	0	0	115.1	R442 Y477	R442-G497 PolarHBondContact NH2-O 3.48Å; Y477-G497 CarbonylContact C-O 3.54Å; Y477-G497 VanDerWaalsContact C-O 3.25Å; Y477-G497 WeakPolarHBondContact CA-O 3.1Å; Y477-G497 CarbonylContact O-C 3.31Å; Y477-G497 WeakPolarHBondContact O-CA 3.32Å; Y477-G497 PolarHBondContact O-N 3.02Å
498	P	98.2	Very high	97.2	Very high	7 Å²	7	29.2 Å²	29.2	5%	0.045	18%	0.181	C	C	.	.	S	Bend	trans	-65.2	157.1	173.4	-22	36.5	0	0	0	113.6	Y238 R442 R463 C476 F507	Y238-P498 HydrophobicContact CD1-CG 4.13Å; Y238-P498 HydrophobicContact CD2-CG 3.92Å; Y238-P498 HydrophobicContact CE1-CB 4.33Å; Y238-P498 HydrophobicContact CE1-CG 3.68Å; Y238-P498 HydrophobicContact CE2-CB 4.18Å; Y238-P498 HydrophobicContact CE2-CG 3.46Å; Y238-P498 VanDerWaalsContact CE2-CG 3.46Å; Y238-P498 HydrophobicContact CG-CG 4.24Å; R442-P498 PolarHBondContact NH2-O 3.44Å; R463-P498 VanDerWaalsContact CD-CB 3.47Å; C476-P498 WeakPolarHBondContact O-CA 3.46Å; P498-F507 HydrophobicContact CB-CB 4.15Å; P498-F507 HydrophobicContact CG-CB 3.67Å; P498-F507 HydrophobicContact CG-CD1 4.41Å; P498-F507 HydrophobicContact CG-CG 4Å
499	T	98.4	Very high	97.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	16%	0.158	C	C	.	.			trans	-75.5	133.4	-170.2	-173	0	0	0	0	112.3	R442 N444 C461 R463 Q501 L504	R442-T499 VanDerWaalsContact NH2-CB 3.31Å; R442-T499 WeakPolarHBondContact O-CB 3.34Å; R442-T499 PolarHBondContact O-OG1 3.07Å; N444-T499 HydrophobicContact CB-CG2 3.66Å; C461-T499 HydrophobicContact CB-CG2 3.99Å; C461-T499 WeakPolarHBondContact O-CG2 3.26Å; C461-T499 VanDerWaalsContact SG-CB 3.58Å; R463-T499 HydrophobicContact CG-CG2 3.94Å; R463-T499 PolarHBondContact NH1-O 3.22Å; T499-Q501 WeakPolarHBondContact OG1-CB 3.41Å; T499-Q501 PolarHBondContact OG1-N 3.25Å; T499-L504 HydrophobicContact CG2-CD1 4Å
500	T	97.3	Very high	97.1	Very high	49 Å²	49	26.8 Å²	26.8	30%	0.301	17%	0.169	S	C	.	.			trans	-104.9	2.7	172.9	57.4	0	0	0	0	111.8	L504 P506	T500-L504 WeakPolarHBondContact CA-O 3.49Å; T500-P506 HydrophobicContact CG2-CB 4.16Å; T500-P506 HydrophobicContact CG2-CG 3.9Å
501	Q	94.5	Very high	96.7	Very high	41 Å²	41	34.5 Å²	34.5	19%	0.192	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-61.6	158.7	178	-157.6	178	-76.7	0	0	110.8	R439 T499 G503 L504	R439-Q501 PolarHBondContact O-NE2 3.13Å; R439-Q501 PolarHBondContact O-OE1 2.99Å; R439-Q501 VanDerWaalsContact O-OE1 3.12Å; T499-Q501 WeakPolarHBondContact OG1-CB 3.41Å; T499-Q501 PolarHBondContact OG1-N 3.25Å; Q501-G503 PolarHBondContact O-N 3.21Å; Q501-G503 VanDerWaalsContact O-N 3.08Å; Q501-L504 WeakPolarHBondContact O-CB 3.46Å; Q501-L504 WeakPolarHBondContact O-CG 3.39Å; Q501-L504 PolarHBondContact O-N 2.97Å; Q501-L504 VanDerWaalsContact O-N 3.17Å
502	D	91.6	Very high	96.5	Very high	52 Å²	52	35.2 Å²	35.2	28%	0.278	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	60.8	25	172.8	-51.5	-51	0	0	0	113.4	N444 D445	N444-D502 PolarHBondContact N-OD2 3.27Å; D445-D502 HydrophobicContact CB-CB 4.05Å
503	G	92.8	Very high	96.2	Very high	76 Å²	76	39.5 Å²	39.5	78%	0.784	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	82.2	16.7	176.3	0	0	0	0	0	114.2	Q501	Q501-G503 PolarHBondContact O-N 3.21Å; Q501-G503 VanDerWaalsContact O-N 3.08Å
504	L	97.7	Very high	95.9	Very high	12 Å²	12	43 Å²	43	6%	0.063	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.5	140.5	175.8	-65.1	179	0	0	0	111.5	N444 Y446 R463 L466 T499 T500 Q501	N444-L504 HydrophobicContact CB-CD1 3.65Å; N444-L504 VanDerWaalsContact O-CD1 3.28Å; N444-L504 WeakPolarHBondContact O-CD1 3.35Å; Y446-L504 HydrophobicContact CD1-CD2 4.12Å; Y446-L504 HydrophobicContact CE1-CD2 3.74Å; R463-L504 HydrophobicContact CG-CD1 4.11Å; L466-L504 HydrophobicContact CD1-CD2 3.85Å; T499-L504 HydrophobicContact CG2-CD1 4Å; T500-L504 WeakPolarHBondContact CA-O 3.49Å; Q501-L504 WeakPolarHBondContact O-CB 3.46Å; Q501-L504 WeakPolarHBondContact O-CG 3.39Å; Q501-L504 PolarHBondContact O-N 2.97Å; Q501-L504 VanDerWaalsContact O-N 3.17Å
505	P	97.2	Very high	95.7	Very high	60 Å²	60	45.2 Å²	45.2	39%	0.39	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-69.5	141.6	-179.5	29.5	-34.9	0	0	0	110.6	R463 L466	R463-P505 PolarHBondContact NH1-O 3.45Å; R463-P505 PolarHBondContact NH2-O 2.87Å; L466-P505 HydrophobicContact CD1-CG 4.46Å; L466-P505 HydrophobicContact CD2-CG 3.95Å
506	P	97.4	Very high	95.6	Very high	40 Å²	40	46.4 Å²	46.4	26%	0.26	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-48.9	144.3	165	-30.2	38.1	0	0	0	112.4	T500 Y523 Y524 N525	T500-P506 HydrophobicContact CG2-CB 4.16Å; T500-P506 HydrophobicContact CG2-CG 3.9Å; P506-Y523 HydrophobicContact CB-CD2 4.2Å; P506-Y523 HydrophobicContact CB-CE1 4.48Å; P506-Y523 HydrophobicContact CB-CE2 3.37Å; P506-Y523 HydrophobicContact CG-CE2 4.02Å; P506-Y523 VanDerWaalsContact CG-OH 3.26Å; P506-Y523 WeakPolarHBondContact CG-OH 3.38Å; P506-Y524 WeakPolarHBondContact CB-O 3.35Å; P506-N525 HydrophobicContact CB-CB 4.28Å; P506-N525 HydrophobicContact CG-CB 4.25Å
507	F	98.1	Very high	95.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.4	176.1	173	-97.3	0	0	0	110.7	Y238 D465 P473 P498 W509 F512 Y524	Y238-F507 HydrophobicContact CD2-CD1 4.23Å; Y238-F507 AromaticContact CD2-CD2 3.76Å; Y238-F507 HydrophobicContact CD2-CD2 3.76Å; Y238-F507 HydrophobicContact CD2-CE1 4.05Å; Y238-F507 AromaticContact CD2-CE2 3.53Å; Y238-F507 HydrophobicContact CD2-CE2 3.53Å; Y238-F507 HydrophobicContact CD2-CG 4.11Å; Y238-F507 AromaticContact CD2-CZ 3.7Å; Y238-F507 HydrophobicContact CD2-CZ 3.7Å; Y238-F507 AromaticContact CE2-CD2 3.74Å; Y238-F507 HydrophobicContact CE2-CD2 3.74Å; Y238-F507 AromaticContact CE2-CE2 3.9Å; Y238-F507 HydrophobicContact CE2-CE2 3.9Å; Y238-F507 HydrophobicContact CE2-CG 4.2Å; Y238-F507 HydrophobicContact CE2-CZ 4.5Å; D465-F507 HydrophobicContact CB-CD2 4.23Å; D465-F507 HydrophobicContact CB-CE2 4.29Å; P473-F507 HydrophobicContact CB-CE2 4.01Å; P473-F507 HydrophobicContact CB-CZ 3.94Å; P498-F507 HydrophobicContact CB-CB 4.15Å; P498-F507 HydrophobicContact CG-CB 3.67Å; P498-F507 HydrophobicContact CG-CD1 4.41Å; P498-F507 HydrophobicContact CG-CG 4Å; F507-W509 AromaticContact CE1-CD1 3.96Å; F507-W509 AromaticContact CE1-CD2 3.68Å; F507-W509 HydrophobicContact CE1-CD2 3.68Å; F507-W509 AromaticContact CE1-CE2 3.66Å; F507-W509 HydrophobicContact CE1-CE3 4.22Å; F507-W509 AromaticContact CE1-CG 3.86Å; F507-W509 HydrophobicContact CE1-CG 3.86Å; F507-W509 HydrophobicContact CE1-CZ2 4.16Å; F507-W509 AromaticContact CE1-NE1 3.83Å; F507-W509 AromaticContact CZ-CD2 3.79Å; F507-W509 HydrophobicContact CZ-CD2 3.79Å; F507-W509 AromaticContact CZ-CE3 3.86Å; F507-W509 HydrophobicContact CZ-CE3 3.86Å; F507-W509 HydrophobicContact CZ-CG 4.23Å; F507-W509 HydrophobicContact CZ-CH2 4.45Å; F507-W509 HydrophobicContact CZ-CZ2 4.42Å; F507-W509 HydrophobicContact CZ-CZ3 4.19Å; F507-F512 HydrophobicContact CD2-CE2 4.48Å; F507-F512 AromaticContact CE2-CD2 3.54Å; F507-F512 HydrophobicContact CE2-CD2 3.54Å; F507-F512 AromaticContact CE2-CE2 3.7Å; F507-F512 HydrophobicContact CE2-CE2 3.7Å; F507-F512 AromaticContact CZ-CD2 4Å; F507-F512 HydrophobicContact CZ-CD2 4Å; F507-Y524 AromaticContact CD1-CD2 3.6Å; F507-Y524 HydrophobicContact CD1-CD2 3.6Å; F507-Y524 AromaticContact CD1-CE2 3.96Å; F507-Y524 HydrophobicContact CD1-CE2 3.96Å; F507-Y524 HydrophobicContact CD1-CG 4.32Å; F507-Y524 HydrophobicContact CE1-CD2 4.26Å; F507-Y524 HydrophobicContact CE1-CE2 4.17Å; F507-Y524 PolarHBondContact O-N 2.96Å
508	V	97.1	Very high	95.5	Very high	41 Å²	41	53.1 Å²	53.1	25%	0.248	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.7	177.2	-171.1	0	0	0	0	108.9	D510 Q522 Y523	V508-D510 VanDerWaalsContact C-N 3.27Å; V508-D510 HydrophobicContact CG1-CB 4.08Å; V508-D510 PolarHBondContact O-N 2.82Å; V508-Q522 WeakPolarHBondContact CA-O 3.46Å; V508-Q522 HydrophobicContact CG1-CG 4.47Å; V508-Q522 WeakPolarHBondContact CG1-O 3.49Å; V508-Y523 HydrophobicContact CG2-CD2 3.66Å; V508-Y523 HydrophobicContact CG2-CE2 4.26Å
509	W	96.9	Very high	95.4	Very high	0 Å²	0	55 Å²	55	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-68.3	-18.3	-178.2	-81	112.4	0	0	0	114.6	Y238 A239 P473 F507 K511 F512 S513 I515 H517 L520 Q522 Y524	Y238-W509 WeakPolarHBondContact O-CZ2 3.25Å; A239-W509 HydrophobicContact CB-CH2 4.4Å; P473-W509 HydrophobicContact CB-CH2 4.25Å; P473-W509 HydrophobicContact CB-CZ3 3.9Å; P473-W509 HydrophobicContact CG-CZ3 3.99Å; F507-W509 AromaticContact CE1-CD1 3.96Å; F507-W509 AromaticContact CE1-CD2 3.68Å; F507-W509 HydrophobicContact CE1-CD2 3.68Å; F507-W509 AromaticContact CE1-CE2 3.66Å; F507-W509 HydrophobicContact CE1-CE3 4.22Å; F507-W509 AromaticContact CE1-CG 3.86Å; F507-W509 HydrophobicContact CE1-CG 3.86Å; F507-W509 HydrophobicContact CE1-CZ2 4.16Å; F507-W509 AromaticContact CE1-NE1 3.83Å; F507-W509 AromaticContact CZ-CD2 3.79Å; F507-W509 HydrophobicContact CZ-CD2 3.79Å; F507-W509 AromaticContact CZ-CE3 3.86Å; F507-W509 HydrophobicContact CZ-CE3 3.86Å; F507-W509 HydrophobicContact CZ-CG 4.23Å; F507-W509 HydrophobicContact CZ-CH2 4.45Å; F507-W509 HydrophobicContact CZ-CZ2 4.42Å; F507-W509 HydrophobicContact CZ-CZ3 4.19Å; W509-K511 PolarHBondContact O-N 3.31Å; W509-F512 HydrophobicContact CE3-CB 4.07Å; W509-F512 HydrophobicContact CZ3-CB 4.33Å; W509-F512 CarbonylContact O-C 3.56Å; W509-F512 VanDerWaalsContact O-C 3.23Å; W509-F512 WeakPolarHBondContact O-CA 3.43Å; W509-F512 PolarHBondContact O-N 3.43Å; W509-S513 PolarHBondContact O-N 3.09Å; W509-S513 VanDerWaalsContact O-N 3.15Å; W509-I515 HydrophobicContact CH2-CG2 4.41Å; W509-I515 HydrophobicContact CZ3-CB 4.05Å; W509-I515 HydrophobicContact CZ3-CG2 4.03Å; W509-H517 HydrophobicContact CD2-CB 3.74Å; W509-H517 AromaticContact CD2-CG 3.65Å; W509-H517 AromaticContact CD2-ND1 3.95Å; W509-H517 AromaticContact CE2-CG 3.99Å; W509-H517 HydrophobicContact CE3-CB 4.03Å; W509-H517 AromaticContact CE3-CG 3.87Å; W509-H517 AromaticContact CE3-ND1 3.72Å; W509-H517 HydrophobicContact CG-CB 4.31Å; W509-H517 AromaticContact CG-CD2 3.79Å; W509-H517 AromaticContact CG-CG 3.9Å; W509-H517 HydrophobicContact CH2-CB 4.02Å; W509-H517 HydrophobicContact CZ2-CB 3.71Å; W509-H517 HydrophobicContact CZ3-CB 4.17Å; W509-L520 HydrophobicContact CZ2-CD1 3.64Å; W509-Q522 PolarHBondContact N-O 2.92Å; W509-Y524 AromaticContact CD1-CE2 3.86Å; W509-Y524 AromaticContact NE1-CE2 3.49Å; W509-Y524 AromaticContact NE1-CZ 3.93Å; W509-Y524 PolarHBondContact NE1-OH 2.97Å
510	D	93.8	Very high	95.4	Very high	116 Å²	116	55.7 Å²	55.7	62%	0.62	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-49.8	-35	179.8	-74.1	-8.3	0	0	0	113	V508 F512 Q522	V508-D510 VanDerWaalsContact C-N 3.27Å; V508-D510 HydrophobicContact CG1-CB 4.08Å; V508-D510 PolarHBondContact O-N 2.82Å; D510-F512 VanDerWaalsContact C-N 3.27Å; D510-F512 PolarHBondContact O-N 3.46Å; D510-Q522 VanDerWaalsContact N-NE2 3.16Å; D510-Q522 PolarHBondContact OD1-NE2 2.82Å
511	K	89.8	Confident	95.3	Very high	168 Å²	168	54 Å²	54	73%	0.73	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-76.1	-13.1	179.3	-64.6	-178.2	-179.3	177.2	0	113.9	W509	W509-K511 PolarHBondContact O-N 3.31Å
512	F	94.7	Very high	95.4	Very high	21 Å²	21	55.7 Å²	55.7	9%	0.092	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-133.9	34.2	-174.1	-57.9	-77.3	0	0	0	111.6	D465 P471 P473 F507 W509 D510 S514 I515	D465-F512 HydrophobicContact CB-CE2 3.81Å; D465-F512 HydrophobicContact CB-CZ 3.76Å; P471-F512 HydrophobicContact CB-CE1 4.24Å; P471-F512 HydrophobicContact CB-CZ 4.12Å; P473-F512 HydrophobicContact CB-CB 4.17Å; P473-F512 HydrophobicContact CB-CD1 4.19Å; P473-F512 HydrophobicContact CB-CD2 4.06Å; P473-F512 HydrophobicContact CB-CG 3.86Å; P473-F512 HydrophobicContact CG-CB 4Å; P473-F512 HydrophobicContact CG-CD1 3.97Å; P473-F512 HydrophobicContact CG-CG 3.94Å; F507-F512 HydrophobicContact CD2-CE2 4.48Å; F507-F512 AromaticContact CE2-CD2 3.54Å; F507-F512 HydrophobicContact CE2-CD2 3.54Å; F507-F512 AromaticContact CE2-CE2 3.7Å; F507-F512 HydrophobicContact CE2-CE2 3.7Å; F507-F512 AromaticContact CZ-CD2 4Å; F507-F512 HydrophobicContact CZ-CD2 4Å; W509-F512 HydrophobicContact CE3-CB 4.07Å; W509-F512 HydrophobicContact CZ3-CB 4.33Å; W509-F512 CarbonylContact O-C 3.56Å; W509-F512 VanDerWaalsContact O-C 3.23Å; W509-F512 WeakPolarHBondContact O-CA 3.43Å; W509-F512 PolarHBondContact O-N 3.43Å; D510-F512 VanDerWaalsContact C-N 3.27Å; D510-F512 PolarHBondContact O-N 3.46Å; F512-S514 PolarHBondContact O-N 3.12Å; F512-I515 HydrophobicContact CB-CG1 4.47Å; F512-I515 PolarHBondContact O-N 3.18Å
513	S	92.4	Very high	95.6	Very high	90 Å²	90	58.7 Å²	58.7	63%	0.629	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.4	-173.9	56.7	0	0	0	0	114.9	W509 I515	W509-S513 PolarHBondContact O-N 3.09Å; W509-S513 VanDerWaalsContact O-N 3.15Å; S513-I515 VanDerWaalsContact C-N 3.33Å
514	S	92.6	Very high	95.8	Very high	112 Å²	112	55.2 Å²	55.2	78%	0.783	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.1	174.9	57.1	0	0	0	0	114.3	F512	F512-S514 PolarHBondContact O-N 3.12Å
515	I	94.4	Very high	95.8	Very high	48 Å²	48	58.5 Å²	58.5	25%	0.246	33%	0.325	C	S	.	.	S	Bend	trans	-88.6	138.2	178.5	-55.9	-55.8	0	0	0	108.8	A239 P473 W509 F512 S513 H517	A239-I515 HydrophobicContact CB-CG2 4.44Å; P473-I515 HydrophobicContact CG-CB 4.41Å; P473-I515 HydrophobicContact CG-CG1 3.88Å; P473-I515 HydrophobicContact CG-CG2 4.39Å; W509-I515 HydrophobicContact CH2-CG2 4.41Å; W509-I515 HydrophobicContact CZ3-CB 4.05Å; W509-I515 HydrophobicContact CZ3-CG2 4.03Å; F512-I515 HydrophobicContact CB-CG1 4.47Å; F512-I515 PolarHBondContact O-N 3.18Å; S513-I515 VanDerWaalsContact C-N 3.33Å; I515-H517 PolarHBondContact O-CE1 3.41Å; I515-H517 PolarHBondContact O-N 2.77Å; I515-H517 PolarHBondContact O-ND1 2.8Å
516	S	96	Very high	95.8	Very high	34 Å²	34	57.2 Å²	57.2	24%	0.238	31%	0.314	C	S	.	.			trans	-67.1	127.6	177.9	-167.5	0	0	0	0	111.2	T105 N106	T105-S516 PolarHBondContact O-OG 3.26Å; N106-S516 PolarHBondContact OD1-OG 3.38Å; N106-S516 VanDerWaalsContact OD1-OG 3.13Å
517	H	97	Very high	95.8	Very high	45 Å²	45	60.4 Å²	60.4	21%	0.208	33%	0.332	C	S	.	.			trans	-147.7	39.1	-178.1	55.1	-85.9	0	0	0	111.9	N106 W509 I515 G519 L520	N106-H517 WeakPolarHBondContact OD1-CA 3.49Å; N106-H517 PolarHBondContact OD1-N 3.49Å; W509-H517 HydrophobicContact CD2-CB 3.74Å; W509-H517 AromaticContact CD2-CG 3.65Å; W509-H517 AromaticContact CD2-ND1 3.95Å; W509-H517 AromaticContact CE2-CG 3.99Å; W509-H517 HydrophobicContact CE3-CB 4.03Å; W509-H517 AromaticContact CE3-CG 3.87Å; W509-H517 AromaticContact CE3-ND1 3.72Å; W509-H517 HydrophobicContact CG-CB 4.31Å; W509-H517 AromaticContact CG-CD2 3.79Å; W509-H517 AromaticContact CG-CG 3.9Å; W509-H517 HydrophobicContact CH2-CB 4.02Å; W509-H517 HydrophobicContact CZ2-CB 3.71Å; W509-H517 HydrophobicContact CZ3-CB 4.17Å; I515-H517 PolarHBondContact O-CE1 3.41Å; I515-H517 PolarHBondContact O-N 2.77Å; I515-H517 PolarHBondContact O-ND1 2.8Å; H517-G519 PolarHBondContact O-N 3.14Å; H517-L520 HydrophobicContact CB-CB 4.24Å; H517-L520 HydrophobicContact CB-CD1 3.8Å; H517-L520 HydrophobicContact CB-CG 4.29Å; H517-L520 WeakPolarHBondContact O-CB 3.36Å; H517-L520 PolarHBondContact O-N 3.26Å
518	Q	97.3	Very high	95.9	Very high	99 Å²	99	62.6 Å²	62.6	46%	0.463	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	135	177.6	-62.4	-170.2	-6.9	0	0	111.3	D102 T105 N106 M242 L520	D102-Q518 HydrophobicContact CB-CB 4.39Å; T105-Q518 VanDerWaalsContact CG2-CD 3.45Å; T105-Q518 HydrophobicContact CG2-CG 4.24Å; T105-Q518 VanDerWaalsContact CG2-OE1 3.27Å; N106-Q518 PolarHBondContact ND2-N 2.91Å; N106-Q518 PolarHBondContact ND2-O 3.32Å; N106-Q518 PolarHBondContact OD1-N 3.31Å; M242-Q518 WeakPolarHBondContact CE-O 3.34Å; Q518-L520 PolarHBondContact O-N 2.86Å; Q518-L520 VanDerWaalsContact O-N 3.15Å
519	G	96.4	Very high	95.9	Very high	47 Å²	47	62.3 Å²	62.3	49%	0.485	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	2	-179.8	0	0	0	0	0	115.2	H517	H517-G519 PolarHBondContact O-N 3.14Å
520	L	97.9	Very high	96	Very high	17 Å²	17	69.4 Å²	69.4	9%	0.089	37%	0.367	C	S	.	.			trans	-85.3	147.5	177.2	-64.7	-173	0	0	0	111.9	M242 W509 H517 Q518	M242-L520 HydrophobicContact CB-CD2 3.58Å; M242-L520 HydrophobicContact CE-CD2 4.07Å; M242-L520 HydrophobicContact CG-CD2 4.4Å; M242-L520 VanDerWaalsContact N-CD2 3.29Å; W509-L520 HydrophobicContact CZ2-CD1 3.64Å; H517-L520 HydrophobicContact CB-CB 4.24Å; H517-L520 HydrophobicContact CB-CD1 3.8Å; H517-L520 HydrophobicContact CB-CG 4.29Å; H517-L520 WeakPolarHBondContact O-CB 3.36Å; H517-L520 PolarHBondContact O-N 3.26Å; Q518-L520 PolarHBondContact O-N 2.86Å; Q518-L520 VanDerWaalsContact O-N 3.15Å
521	P	96.4	Very high	96.2	Very high	12 Å²	12	64.1 Å²	64.1	8%	0.078	34%	0.339	C	S	.	.			trans	-57.7	142.4	170.1	-22.3	32.7	0	0	0	111.6	L60 Y523 Y524 F526	L60-P521 HydrophobicContact CG-CG 4.48Å; P521-Y523 VanDerWaalsContact C-N 3.31Å; P521-Y523 PolarHBondContact O-N 3.35Å; P521-Y524 HydrophobicContact CB-CE2 4.41Å; P521-Y524 WeakPolarHBondContact O-CE2 3.49Å; P521-F526 HydrophobicContact CB-CE2 4.17Å; P521-F526 HydrophobicContact CB-CZ 3.88Å; P521-F526 HydrophobicContact CG-CE2 4.05Å; P521-F526 HydrophobicContact CG-CZ 3.81Å
522	Q	95.1	Very high	96.5	Very high	78 Å²	78	60.3 Å²	60.3	36%	0.364	32%	0.323	S	S	.	.	S	Bend	trans	-74.3	-25.4	-179.8	-171.1	56.2	9.9	0	0	113.7	V508 W509 D510	V508-Q522 WeakPolarHBondContact CA-O 3.46Å; V508-Q522 HydrophobicContact CG1-CG 4.47Å; V508-Q522 WeakPolarHBondContact CG1-O 3.49Å; W509-Q522 PolarHBondContact N-O 2.92Å; D510-Q522 VanDerWaalsContact N-NE2 3.16Å; D510-Q522 PolarHBondContact OD1-NE2 2.82Å
523	Y	95.9	Very high	96.6	Very high	115 Å²	115	60.1 Å²	60.1	45%	0.451	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.1	-171.1	173.9	-97.3	0	0	0	109.8	P506 V508 P521 N525	P506-Y523 HydrophobicContact CB-CD2 4.2Å; P506-Y523 HydrophobicContact CB-CE1 4.48Å; P506-Y523 HydrophobicContact CB-CE2 3.37Å; P506-Y523 HydrophobicContact CG-CE2 4.02Å; P506-Y523 VanDerWaalsContact CG-OH 3.26Å; P506-Y523 WeakPolarHBondContact CG-OH 3.38Å; V508-Y523 HydrophobicContact CG2-CD2 3.66Å; V508-Y523 HydrophobicContact CG2-CE2 4.26Å; P521-Y523 VanDerWaalsContact C-N 3.31Å; P521-Y523 PolarHBondContact O-N 3.35Å; Y523-N525 HydrophobicContact CD1-CB 4.12Å; Y523-N525 HydrophobicContact CE1-CB 3.29Å
524	Y	97.9	Very high	96.8	Very high	2 Å²	2	60 Å²	60	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	103.8	-175.8	-69.4	-107.6	0	0	0	110.5	T241 P506 F507 W509 P521 F526	T241-Y524 HydrophobicContact CG2-CE1 4.35Å; T241-Y524 PolarHBondContact OG1-OH 3.4Å; P506-Y524 WeakPolarHBondContact CB-O 3.35Å; F507-Y524 AromaticContact CD1-CD2 3.6Å; F507-Y524 HydrophobicContact CD1-CD2 3.6Å; F507-Y524 AromaticContact CD1-CE2 3.96Å; F507-Y524 HydrophobicContact CD1-CE2 3.96Å; F507-Y524 HydrophobicContact CD1-CG 4.32Å; F507-Y524 HydrophobicContact CE1-CD2 4.26Å; F507-Y524 HydrophobicContact CE1-CE2 4.17Å; F507-Y524 PolarHBondContact O-N 2.96Å; W509-Y524 AromaticContact CD1-CE2 3.86Å; W509-Y524 AromaticContact NE1-CE2 3.49Å; W509-Y524 AromaticContact NE1-CZ 3.93Å; W509-Y524 PolarHBondContact NE1-OH 2.97Å; P521-Y524 HydrophobicContact CB-CE2 4.41Å; P521-Y524 WeakPolarHBondContact O-CE2 3.49Å; Y524-F526 HydrophobicContact CD1-CD2 4.13Å; Y524-F526 AromaticContact CD1-CE2 3.85Å; Y524-F526 HydrophobicContact CD1-CE2 3.85Å; Y524-F526 HydrophobicContact CE1-CE2 4.36Å; Y524-F526 HydrophobicContact CG-CE2 4.32Å
525	N	97.2	Very high	96.7	Very high	81 Å²	81	55.9 Å²	55.9	43%	0.433	29%	0.289	S	S	.	.			trans	-145.6	43.1	170.9	-165.6	37.2	0	0	0	110.3	P506 Y523	P506-N525 HydrophobicContact CB-CB 4.28Å; P506-N525 HydrophobicContact CG-CB 4.25Å; Y523-N525 HydrophobicContact CD1-CB 4.12Å; Y523-N525 HydrophobicContact CE1-CB 3.29Å
526	F	98.2	Very high	96.3	Very high	34 Å²	34	54 Å²	54	15%	0.149	28%	0.279	C	S	.	.			trans	-74.2	157.9	179.1	-56.9	-69	0	0	0	111	V495 N496 P521 Y524	V495-F526 HydrophobicContact CG2-CB 4.48Å; V495-F526 WeakPolarHBondContact CG2-O 2.92Å; N496-F526 WeakPolarHBondContact O-CD2 3.45Å; P521-F526 HydrophobicContact CB-CE2 4.17Å; P521-F526 HydrophobicContact CB-CZ 3.88Å; P521-F526 HydrophobicContact CG-CE2 4.05Å; P521-F526 HydrophobicContact CG-CZ 3.81Å; Y524-F526 HydrophobicContact CD1-CD2 4.13Å; Y524-F526 AromaticContact CD1-CE2 3.85Å; Y524-F526 HydrophobicContact CD1-CE2 3.85Å; Y524-F526 HydrophobicContact CE1-CE2 4.36Å; Y524-F526 HydrophobicContact CG-CE2 4.32Å
527	T	97.4	Very high	95.4	Very high	107 Å²	107	60 Å²	60	66%	0.656	30%	0.303	S	S	*	.			trans	-106	169.6	174	56.6	0	0	0	0	110.4	V529	T527-V529 PolarHBondContact O-N 3.32Å
528	F	98.7	Very high	93.9	Very high	47 Å²	47	61.7 Å²	61.7	21%	0.206	32%	0.318	C	S	.	.			trans	-59.3	136.3	169.6	-78.1	-92.8	0	0	0	110.3	K438 R442 T479 V481 E493 A494 V495	K438-F528 HydrophobicContact CB-CD2 4.4Å; K438-F528 HydrophobicContact CB-CE1 4.42Å; K438-F528 HydrophobicContact CB-CE2 3.72Å; K438-F528 HydrophobicContact CB-CZ 3.73Å; K438-F528 HydrophobicContact CD-CD1 4.16Å; K438-F528 HydrophobicContact CD-CD2 3.93Å; K438-F528 HydrophobicContact CD-CE1 4.3Å; K438-F528 HydrophobicContact CD-CE2 4.08Å; K438-F528 HydrophobicContact CD-CG 3.97Å; K438-F528 HydrophobicContact CD-CZ 4.26Å; K438-F528 HydrophobicContact CG-CD1 4.15Å; K438-F528 HydrophobicContact CG-CD2 4.18Å; K438-F528 HydrophobicContact CG-CE1 3.79Å; K438-F528 HydrophobicContact CG-CE2 3.82Å; K438-F528 HydrophobicContact CG-CG 4.34Å; K438-F528 HydrophobicContact CG-CZ 3.6Å; R442-F528 HydrophobicContact CG-CE2 4.12Å; R442-F528 HydrophobicContact CG-CZ 4.18Å; T479-F528 HydrophobicContact CG2-CE1 3.95Å; T479-F528 HydrophobicContact CG2-CZ 3.81Å; V481-F528 HydrophobicContact CG1-CE1 4.46Å; V481-F528 HydrophobicContact CG2-CE1 4.3Å; E493-F528 HydrophobicContact CB-CB 4.43Å; E493-F528 HydrophobicContact CB-CD1 4.03Å; A494-F528 WeakPolarHBondContact O-CA 3.07Å; V495-F528 HydrophobicContact CB-CD1 4.03Å; V495-F528 HydrophobicContact CB-CD2 4.01Å; V495-F528 HydrophobicContact CB-CE1 4.13Å; V495-F528 HydrophobicContact CB-CE2 4.11Å; V495-F528 HydrophobicContact CB-CG 3.98Å; V495-F528 HydrophobicContact CB-CZ 4.18Å; V495-F528 HydrophobicContact CG1-CD1 4.12Å; V495-F528 HydrophobicContact CG1-CD2 4.08Å; V495-F528 HydrophobicContact CG1-CE1 3.69Å; V495-F528 HydrophobicContact CG1-CE2 3.65Å; V495-F528 HydrophobicContact CG1-CG 4.31Å; V495-F528 HydrophobicContact CG1-CZ 3.44Å; V495-F528 VanDerWaalsContact CG1-CZ 3.44Å
529	V	98.3	Very high	93.7	Very high	35 Å²	35	59.8 Å²	59.8	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.3	171.9	-60.9	0	0	0	0	109.3	T63 E493 A494 T527 M531	T63-V529 HydrophobicContact CG2-CG1 4.42Å; E493-V529 CarbonylContact C-O 3.59Å; E493-V529 WeakPolarHBondContact CA-O 3.45Å; A494-V529 PolarHBondContact N-O 2.87Å; A494-V529 WeakPolarHBondContact O-CG2 3.44Å; A494-V529 PolarHBondContact O-N 3.44Å; T527-V529 PolarHBondContact O-N 3.32Å; V529-M531 HydrophobicContact CG2-CE 3.32Å; V529-M531 HydrophobicContact CG2-SD 4Å
530	R	98.4	Very high	93.6	Very high	149 Å²	149	60.5 Å²	60.5	56%	0.562	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.3	177.4	-174.7	178.6	177.6	114.9	-1.4	109.5	V491	V491-R530 HydrophobicContact CG1-CG 3.86Å
531	M	98.4	Very high	93.4	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.7	177.3	-54.7	-61.2	-166.2	0	0	107.8	W65 V67 Y245 V491 A492 A494 V529	W65-M531 HydrophobicContact CB-CE 3.55Å; W65-M531 VanDerWaalsContact CD1-CE 3.47Å; W65-M531 HydrophobicContact CD2-CE 3.52Å; W65-M531 HydrophobicContact CE3-CE 4.11Å; W65-M531 HydrophobicContact CG-CE 3.22Å; V67-M531 HydrophobicContact CG2-SD 4.12Å; Y245-M531 HydrophobicContact CD1-CB 3.69Å; Y245-M531 HydrophobicContact CD1-CG 4.05Å; Y245-M531 HydrophobicContact CD2-CB 3.98Å; Y245-M531 HydrophobicContact CD2-CE 4.08Å; Y245-M531 HydrophobicContact CD2-CG 3.49Å; Y245-M531 VanDerWaalsContact CD2-CG 3.49Å; Y245-M531 HydrophobicContact CD2-SD 4.15Å; Y245-M531 HydrophobicContact CE1-CB 3.67Å; Y245-M531 HydrophobicContact CE1-CG 4.3Å; Y245-M531 HydrophobicContact CE2-CB 3.93Å; Y245-M531 HydrophobicContact CE2-CG 3.75Å; Y245-M531 HydrophobicContact CG-CB 3.85Å; Y245-M531 HydrophobicContact CG-CE 4.23Å; Y245-M531 HydrophobicContact CG-CG 3.65Å; Y245-M531 HydrophobicContact CG-SD 3.91Å; V491-M531 VanDerWaalsContact CA-O 3.3Å; V491-M531 WeakPolarHBondContact CA-O 3.34Å; A492-M531 PolarHBondContact N-O 3.15Å; A492-M531 PolarHBondContact O-N 3.38Å; A494-M531 HydrophobicContact CB-CE 3.97Å; A494-M531 HydrophobicContact CB-CG 4.09Å; V529-M531 HydrophobicContact CG2-CE 3.32Å; V529-M531 HydrophobicContact CG2-SD 4Å
532	Q	97	Very high	93.2	Very high	88 Å²	88	65.9 Å²	65.9	41%	0.411	33%	0.327	S	S	.	.			trans	-151.6	141.3	-179.5	66.4	-177.5	29.2	0	0	109.5	V491	V491-Q532 HydrophobicContact CG1-CB 4.42Å; V491-Q532 HydrophobicContact CG2-CB 3.91Å
533	P	96.6	Very high	93.1	Very high	17 Å²	17	65.1 Å²	65.1	11%	0.11	33%	0.325	C	S	.	.			trans	-66.3	149.6	174.5	29.3	-34.3	0	0	0	110.9	E69 H247 F490 F536	E69-P533 WeakPolarHBondContact OE1-CA 3.29Å; H247-P533 HydrophobicContact CB-CB 4.05Å; F490-P533 HydrophobicContact CB-CG 3.99Å; P533-F536 HydrophobicContact CB-CD1 4Å; P533-F536 HydrophobicContact CB-CD2 4.32Å; P533-F536 HydrophobicContact CB-CE1 3.61Å; P533-F536 HydrophobicContact CB-CE2 3.94Å; P533-F536 HydrophobicContact CB-CG 4.36Å; P533-F536 HydrophobicContact CB-CZ 3.58Å; P533-F536 HydrophobicContact CG-CD2 4.37Å; P533-F536 HydrophobicContact CG-CE1 4.42Å; P533-F536 HydrophobicContact CG-CE2 3.87Å; P533-F536 HydrophobicContact CG-CZ 3.91Å
534	V	94.9	Very high	92.9	Very high	88 Å²	88	61.8 Å²	61.8	53%	0.533	32%	0.316	S	S	.	.	S	Bend	trans	-121.4	-19.6	172.1	-51.2	0	0	0	0	112.5	Y55 E69	Y55-V534 HydrophobicContact CE1-CG2 3.67Å; Y55-V534 WeakPolarHBondContact OH-CG2 3.33Å; E69-V534 VanDerWaalsContact CD-N 3.3Å; E69-V534 WeakPolarHBondContact OE1-CG2 3.39Å; E69-V534 PolarHBondContact OE1-N 3.11Å; E69-V534 PolarHBondContact OE2-N 2.68Å
535	L	92.1	Very high	92.5	Very high	25 Å²	25	66.1 Å²	66.1	13%	0.131	34%	0.338	C	S	.	.	S	Bend	trans	-84	-15.8	-179.4	-63.2	-171.5	0	0	0	114	M46 Y53 Y55 E69 R71	M46-L535 HydrophobicContact SD-CD2 3.95Å; Y53-L535 HydrophobicContact CD2-CD1 4.26Å; Y53-L535 HydrophobicContact CE2-CD1 4.05Å; Y53-L535 HydrophobicContact CE2-CD2 4.26Å; Y55-L535 HydrophobicContact CD1-CD1 4.06Å; Y55-L535 HydrophobicContact CD1-CD2 4.2Å; Y55-L535 HydrophobicContact CD1-CG 4.19Å; Y55-L535 HydrophobicContact CE1-CD1 4.23Å; Y55-L535 HydrophobicContact CE1-CD2 4.15Å; Y55-L535 HydrophobicContact CE1-CG 3.95Å; E69-L535 HydrophobicContact CB-CD1 3.6Å; E69-L535 HydrophobicContact CB-CG 3.92Å; E69-L535 WeakPolarHBondContact OE2-CB 3.28Å; E69-L535 WeakPolarHBondContact OE2-CG 3.03Å; E69-L535 PolarHBondContact OE2-N 3.07Å; R71-L535 PolarHBondContact NH1-O 2.93Å
536	F	86	Confident	92.2	Very high	10 Å²	10	64.9 Å²	64.9	4%	0.044	33%	0.331	C	S	.	.			trans	-143.5	144.5	177	64.3	-90.3	0	0	0	110.8	H247 D249 K261 F490 P533	H247-F536 HydrophobicContact CB-CE1 3.85Å; H247-F536 HydrophobicContact CB-CZ 4.15Å; D249-F536 HydrophobicContact CB-CB 4.11Å; D249-F536 HydrophobicContact CB-CD1 3.41Å; D249-F536 VanDerWaalsContact CB-CD1 3.41Å; D249-F536 HydrophobicContact CB-CD2 4.4Å; D249-F536 HydrophobicContact CB-CE1 3.8Å; D249-F536 HydrophobicContact CB-CG 3.73Å; D249-F536 HydrophobicContact CB-CZ 4.45Å; D249-F536 WeakPolarHBondContact OD2-CB 3.38Å; K261-F536 HydrophobicContact CD-CD2 4.19Å; K261-F536 HydrophobicContact CD-CE2 4.27Å; F490-F536 AromaticContact CD2-CE2 3.96Å; F490-F536 HydrophobicContact CD2-CE2 3.96Å; F490-F536 HydrophobicContact CE2-CE2 4.11Å; F490-F536 HydrophobicContact CG-CE2 4.28Å; P533-F536 HydrophobicContact CB-CD1 4Å; P533-F536 HydrophobicContact CB-CD2 4.32Å; P533-F536 HydrophobicContact CB-CE1 3.61Å; P533-F536 HydrophobicContact CB-CE2 3.94Å; P533-F536 HydrophobicContact CB-CG 4.36Å; P533-F536 HydrophobicContact CB-CZ 3.58Å; P533-F536 HydrophobicContact CG-CD2 4.37Å; P533-F536 HydrophobicContact CG-CE1 4.42Å; P533-F536 HydrophobicContact CG-CE2 3.87Å; P533-F536 HydrophobicContact CG-CZ 3.91Å
537	E	77	Confident	91.7	Very high	159 Å²	159	67.5 Å²	67.5	74%	0.743	35%	0.346	S	S	*	.			trans	-86.8	150	166.7	-64.2	-67	161.3	0	0	109	K261	K261-E537 PolarHBondContact NZ-O 3.49Å
538	P	65.2	Low	91.1	Very high	80 Å²	80	63.9 Å²	63.9	52%	0.519	32%	0.318	S	S	.	.			trans	-53.9	0	-177.1	-24	33.9	0	0	0	114.2	K261 D488 N489 F490	K261-P538 PolarHBondContact NZ-OXT 3.27Å; D488-P538 WeakPolarHBondContact O-CB 3.45Å; N489-P538 VanDerWaalsContact CA-CG 3.44Å; N489-P538 HydrophobicContact CB-CG 3.92Å; F490-P538 HydrophobicContact CD2-CB 4.14Å; F490-P538 HydrophobicContact CD2-CG 4.42Å; F490-P538 HydrophobicContact CE2-CB 4.23Å

Retrieved 538 of 538 residues in 709.4 ms (Link to these results)

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