A0A087YEW3_POEFO Loading...

Zinc finger and BTB domain containing 16a

AlphaFold DB , UniProt , Accession A0A087YEW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	40.9	Very low	206 Å²	206	90.4 Å²	90.4	100%	1.015	48%	0.479	S	S	*	.				0	152.1	0	-68.8	150.9	175.6	0	0	108	L3	M1-L3 PolarHBondContact O-N 3.21Å
2	D	23.4	Very low	40.6	Very low	113 Å²	113	96.8 Å²	96.8	60%	0.604	50%	0.504	S	S	*	.			trans	-86.5	109.2	179.8	-171.2	-21	0	0	0	109.7	S4	D2-S4 PolarHBondContact O-N 3.26Å; D2-S4 VanDerWaalsContact O-N 3.15Å; D2-S4 WeakPolarHBondContact OD1-CB 3.48Å; D2-S4 PolarHBondContact OD1-N 3.4Å; D2-S4 VanDerWaalsContact OD1-N 3.14Å; D2-S4 PolarHBondContact OD1-OG 3.11Å; D2-S4 PolarHBondContact OD2-OG 3.33Å
3	L	34.3	Very low	40.7	Very low	136 Å²	136	99.2 Å²	99.2	71%	0.712	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-66.8	-11.8	-173.9	-73.5	155	0	0	0	113.4	M1 K5 M6	M1-L3 PolarHBondContact O-N 3.21Å; L3-K5 PolarHBondContact O-N 3.09Å; L3-K5 VanDerWaalsContact O-N 3.12Å; L3-M6 HydrophobicContact CD2-CE 3.89Å; L3-M6 HydrophobicContact CD2-SD 4.03Å
4	S	35.3	Very low	40.9	Very low	92 Å²	92	95.9 Å²	95.9	64%	0.643	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-69.3	-2.6	-179.9	64.2	0	0	0	0	115.3	D2	D2-S4 PolarHBondContact O-N 3.26Å; D2-S4 VanDerWaalsContact O-N 3.15Å; D2-S4 WeakPolarHBondContact OD1-CB 3.48Å; D2-S4 PolarHBondContact OD1-N 3.4Å; D2-S4 VanDerWaalsContact OD1-N 3.14Å; D2-S4 PolarHBondContact OD1-OG 3.11Å; D2-S4 PolarHBondContact OD2-OG 3.33Å
5	K	41.2	Very low	40.9	Very low	144 Å²	144	97.5 Å²	97.5	63%	0.626	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-121.7	7.2	-173.2	-66.8	-176.2	-179.6	175	0	116.1	L3	L3-K5 PolarHBondContact O-N 3.09Å; L3-K5 VanDerWaalsContact O-N 3.12Å
6	M	45.2	Very low	41.1	Very low	56 Å²	56	98.7 Å²	98.7	28%	0.276	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-73.8	135.3	177.8	-71.5	-174.5	173.9	0	0	112.3	L3 D35 I37	L3-M6 HydrophobicContact CD2-CE 3.89Å; L3-M6 HydrophobicContact CD2-SD 4.03Å; M6-D35 HydrophobicContact CE-CB 3.93Å; M6-D35 HydrophobicContact CG-CB 4.23Å; M6-D35 HydrophobicContact SD-CB 4.5Å; M6-I37 HydrophobicContact SD-CD1 4.13Å; M6-I37 HydrophobicContact SD-CG1 4.43Å
7	G	47.6	Very low	41.3	Very low	20 Å²	20	94.8 Å²	94.8	21%	0.206	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.2	175.9	0	0	0	0	0	112	V36 I37	G7-V36 WeakPolarHBondContact O-CA 3.47Å; G7-I37 PolarHBondContact O-N 3.13Å
8	V	48.5	Very low	41.7	Very low	73 Å²	73	93.4 Å²	93.4	44%	0.442	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.3	-179.9	-174.2	0	0	0	0	111.5	Q10 I37	V8-Q10 HydrophobicContact CG1-CG 4.22Å; V8-I37 HydrophobicContact CG2-CB 4.4Å
9	I	50.3	Low	42	Very low	0 Å²	0	91.5 Å²	91.5	0%	0	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	94	169	-59	-177.3	0	0	0	108.6	L11 K23 M27 V36 I37 I38 M39	I9-L11 HydrophobicContact CG2-CD2 3.85Å; I9-L11 HydrophobicContact CG2-CG 4.02Å; I9-K23 HydrophobicContact CD1-CG 4.46Å; I9-K23 HydrophobicContact CG1-CD 4.47Å; I9-K23 HydrophobicContact CG1-CG 4.46Å; I9-K23 HydrophobicContact CG2-CD 4.27Å; I9-M27 HydrophobicContact CD1-CE 3.78Å; I9-M27 HydrophobicContact CG1-CE 3.96Å; I9-M27 HydrophobicContact CG1-SD 4.38Å; I9-V36 HydrophobicContact CB-CG1 4.36Å; I9-V36 HydrophobicContact CD1-CG1 3.74Å; I9-V36 HydrophobicContact CG1-CG1 3.79Å; I9-I37 PolarHBondContact N-O 2.8Å; I9-I38 WeakPolarHBondContact O-CA 3.27Å; I9-M39 PolarHBondContact O-N 3.03Å
10	Q	44.8	Very low	42.4	Very low	116 Å²	116	87.8 Å²	87.8	54%	0.542	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.6	160.4	-70.3	-177.9	-20.6	0	0	110.3	V8 M39	V8-Q10 HydrophobicContact CG1-CG 4.22Å; Q10-M39 HydrophobicContact CG-CB 4.23Å; Q10-M39 HydrophobicContact CG-CE 4.38Å; Q10-M39 HydrophobicContact CG-CG 4.37Å; Q10-M39 HydrophobicContact CG-SD 3.77Å
11	L	45	Very low	42.9	Very low	38 Å²	38	86 Å²	86	20%	0.199	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.6	168	-58.9	170.5	0	0	0	108	I9 L20 I38 M39 V40	I9-L11 HydrophobicContact CG2-CD2 3.85Å; I9-L11 HydrophobicContact CG2-CG 4.02Å; L11-L20 HydrophobicContact CD1-CB 4.31Å; L11-L20 HydrophobicContact CD1-CD1 3.69Å; L11-L20 HydrophobicContact CD1-CG 3.96Å; L11-L20 HydrophobicContact CD2-CB 4.21Å; L11-L20 HydrophobicContact CD2-CG 4.48Å; L11-I38 HydrophobicContact CD1-CG2 3.83Å; L11-I38 HydrophobicContact CG-CG2 4.49Å; L11-M39 PolarHBondContact N-O 3.02Å; L11-V40 HydrophobicContact CD1-CG2 4.38Å
12	Q	37.2	Very low	43.6	Very low	167 Å²	167	83 Å²	83	78%	0.78	45%	0.447	S	S	*	.	S	Bend	trans	-120.9	125.1	171.1	-71.2	-175.8	-14.5	0	0	107.8
13	N	42.2	Very low	44.9	Very low	128 Å²	128	81.6 Å²	81.6	68%	0.684	44%	0.435	S	S	*	.			trans	62.2	105.5	-162.7	-63	-75.6	0	0	0	113.7	N15	N13-N15 PolarHBondContact O-N 3.46Å
14	P	43.1	Very low	45.7	Very low	53 Å²	53	75.9 Å²	75.9	34%	0.344	41%	0.408	S	S	.	.			trans	-74.5	11.7	179	31.5	-35.8	0	0	0	114.7	H16	P14-H16 PolarHBondContact O-N 2.99Å
15	N	40.3	Very low	46.2	Very low	121 Å²	121	73.4 Å²	73.4	65%	0.647	39%	0.387	S	S	*	.	S	Bend	trans	-73.5	8	-171.5	-65.2	6.5	0	0	0	115.2	N13	N13-N15 PolarHBondContact O-N 3.46Å
16	H	44.5	Very low	46.7	Very low	116 Å²	116	73 Å²	73	54%	0.537	39%	0.387	S	S	.	.			trans	-151.7	107.6	169.6	-114.8	-79.9	0	0	0	111.6	P14 T18 A19	P14-H16 PolarHBondContact O-N 2.99Å; H16-T18 PolarHBondContact ND1-OG1 3.05Å; H16-T18 PolarHBondContact O-N 2.88Å; H16-T18 VanDerWaalsContact O-N 3.15Å; H16-A19 PolarHBondContact O-N 3.35Å
17	P	44.6	Very low	46.8	Very low	33 Å²	33	71.7 Å²	71.7	21%	0.214	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-19.3	177.8	25.8	-33.7	0	0	0	112.9	A19 L20 L21 F59 L72	P17-A19 VanDerWaalsContact C-N 3.27Å; P17-A19 PolarHBondContact O-N 2.89Å; P17-L20 WeakPolarHBondContact O-CB 3.43Å; P17-L20 PolarHBondContact O-N 3.05Å; P17-L21 PolarHBondContact O-N 3.39Å; P17-F59 HydrophobicContact CB-CE1 3.98Å; P17-F59 HydrophobicContact CB-CZ 3.61Å; P17-F59 HydrophobicContact CG-CE1 4.22Å; P17-F59 HydrophobicContact CG-CZ 4.33Å; P17-L72 HydrophobicContact CG-CD1 4.47Å; P17-L72 HydrophobicContact CG-CD2 4.44Å
18	T	47.6	Very low	46.7	Very low	70 Å²	70	76.7 Å²	76.7	43%	0.429	39%	0.394	S	S	.	.	H	α-helix	trans	-54.4	-38.4	178.6	-34.7	0	0	0	0	112.9	H16 L21 Q22	H16-T18 PolarHBondContact ND1-OG1 3.05Å; H16-T18 PolarHBondContact O-N 2.88Å; H16-T18 VanDerWaalsContact O-N 3.15Å; T18-L21 PolarHBondContact O-N 3.08Å; T18-Q22 VanDerWaalsContact O-CB 3.27Å; T18-Q22 WeakPolarHBondContact O-CB 3.33Å; T18-Q22 PolarHBondContact O-N 2.84Å
19	A	48.1	Very low	46.4	Very low	57 Å²	57	80.2 Å²	80.2	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-70	-38.4	-178.9	0	0	0	0	0	112.5	H16 P17 K23	H16-A19 PolarHBondContact O-N 3.35Å; P17-A19 VanDerWaalsContact C-N 3.27Å; P17-A19 PolarHBondContact O-N 2.89Å; A19-K23 WeakPolarHBondContact O-CB 3.26Å; A19-K23 PolarHBondContact O-N 3.07Å; A19-K23 VanDerWaalsContact O-N 3.07Å
20	L	50.7	Low	46.2	Very low	16 Å²	16	83.4 Å²	83.4	8%	0.084	44%	0.436	C	S	.	.	H	α-helix	trans	-62.6	-52.3	173.2	-165.8	175.9	0	0	0	109.3	L11 P17 Q22 K23 A24 F80	L11-L20 HydrophobicContact CD1-CB 4.31Å; L11-L20 HydrophobicContact CD1-CD1 3.69Å; L11-L20 HydrophobicContact CD1-CG 3.96Å; L11-L20 HydrophobicContact CD2-CB 4.21Å; L11-L20 HydrophobicContact CD2-CG 4.48Å; P17-L20 WeakPolarHBondContact O-CB 3.43Å; P17-L20 PolarHBondContact O-N 3.05Å; L20-Q22 VanDerWaalsContact C-N 3.34Å; L20-Q22 PolarHBondContact O-N 3.18Å; L20-K23 PolarHBondContact O-N 3.11Å; L20-A24 HydrophobicContact CD2-CB 4.43Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.37Å; L20-A24 PolarHBondContact O-N 2.83Å; L20-F80 HydrophobicContact CD1-CE1 4.48Å; L20-F80 HydrophobicContact CD1-CZ 4.23Å
21	L	51.5	Low	45.9	Very low	50 Å²	50	80.9 Å²	80.9	26%	0.262	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-39.3	-179.2	-173.9	63.6	0	0	0	112.6	P17 T18 N25 F59	P17-L21 PolarHBondContact O-N 3.39Å; T18-L21 PolarHBondContact O-N 3.08Å; L21-N25 WeakPolarHBondContact O-CB 3.39Å; L21-N25 PolarHBondContact O-N 3.16Å; L21-N25 PolarHBondContact O-ND2 3.44Å; L21-F59 HydrophobicContact CD1-CD2 4.27Å; L21-F59 HydrophobicContact CD2-CB 4.18Å; L21-F59 HydrophobicContact CD2-CD2 4.5Å; L21-F59 HydrophobicContact CD2-CG 4.29Å
22	Q	51	Low	46.1	Very low	144 Å²	144	83 Å²	83	67%	0.673	46%	0.455	S	S	*	.	H	α-helix	trans	-67.3	-45.5	177.4	-171.5	175.9	13.1	0	0	111.8	T18 L20 N25 Q26	T18-Q22 VanDerWaalsContact O-CB 3.27Å; T18-Q22 WeakPolarHBondContact O-CB 3.33Å; T18-Q22 PolarHBondContact O-N 2.84Å; L20-Q22 VanDerWaalsContact C-N 3.34Å; L20-Q22 PolarHBondContact O-N 3.18Å; Q22-N25 PolarHBondContact O-N 2.66Å; Q22-Q26 PolarHBondContact O-N 2.88Å
23	K	50.6	Low	46.6	Very low	83 Å²	83	77.7 Å²	77.7	36%	0.361	43%	0.432	S	S	.	.	H	α-helix	trans	-71.2	-37.4	180	-167.9	165.7	172.9	-176.5	0	112.2	I9 A19 L20 Q26 M27	I9-K23 HydrophobicContact CD1-CG 4.46Å; I9-K23 HydrophobicContact CG1-CD 4.47Å; I9-K23 HydrophobicContact CG1-CG 4.46Å; I9-K23 HydrophobicContact CG2-CD 4.27Å; A19-K23 WeakPolarHBondContact O-CB 3.26Å; A19-K23 PolarHBondContact O-N 3.07Å; A19-K23 VanDerWaalsContact O-N 3.07Å; L20-K23 PolarHBondContact O-N 3.11Å; K23-Q26 WeakPolarHBondContact O-CB 3.45Å; K23-Q26 PolarHBondContact O-N 3.3Å; K23-M27 WeakPolarHBondContact O-CG 3.39Å; K23-M27 PolarHBondContact O-N 2.74Å
24	A	49.9	Very low	46.4	Very low	17 Å²	17	74.6 Å²	74.6	14%	0.14	42%	0.42	C	S	.	.	H	α-helix	trans	-60.5	-44.7	170.9	0	0	0	0	0	111.8	L20 Q26 M27 R28 L52	L20-A24 HydrophobicContact CD2-CB 4.43Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.37Å; L20-A24 PolarHBondContact O-N 2.83Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; A24-Q26 PolarHBondContact O-N 3.28Å; A24-M27 PolarHBondContact O-N 3.09Å; A24-R28 WeakPolarHBondContact O-CB 3.34Å; A24-R28 PolarHBondContact O-N 2.96Å; A24-L52 HydrophobicContact CB-CD2 4.11Å
25	N	47.5	Very low	46.5	Very low	39 Å²	39	74.4 Å²	74.4	21%	0.209	42%	0.416	C	S	.	.	H	α-helix	trans	-64.9	-36.5	174.3	-86.2	-70.7	0	0	0	112.9	L21 Q22 R28 L29	L21-N25 WeakPolarHBondContact O-CB 3.39Å; L21-N25 PolarHBondContact O-N 3.16Å; L21-N25 PolarHBondContact O-ND2 3.44Å; Q22-N25 PolarHBondContact O-N 2.66Å; N25-R28 PolarHBondContact O-N 3.19Å; N25-R28 PolarHBondContact OD1-NE 3.18Å; N25-R28 PolarHBondContact OD1-NH2 3.48Å; N25-L29 WeakPolarHBondContact O-CB 3.43Å; N25-L29 VanDerWaalsContact O-CG 3.29Å; N25-L29 WeakPolarHBondContact O-CG 3.47Å; N25-L29 PolarHBondContact O-N 2.89Å
26	Q	50.3	Low	47	Very low	136 Å²	136	68.8 Å²	68.8	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-62.2	-43.4	175.1	-167.9	177.1	13	0	0	112	Q22 K23 A24 L29 A30	Q22-Q26 PolarHBondContact O-N 2.88Å; K23-Q26 WeakPolarHBondContact O-CB 3.45Å; K23-Q26 PolarHBondContact O-N 3.3Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; A24-Q26 PolarHBondContact O-N 3.28Å; Q26-L29 PolarHBondContact O-N 3.41Å; Q26-A30 WeakPolarHBondContact O-CB 3.25Å; Q26-A30 PolarHBondContact O-N 3.12Å
27	M	47.1	Very low	47.2	Very low	28 Å²	28	64.3 Å²	64.3	14%	0.138	37%	0.366	C	S	.	.	H	α-helix	trans	-71.4	-34.3	176	-59.6	-165.2	-37	0	0	112.6	I9 K23 A24 L29 A30 G31 V36	I9-M27 HydrophobicContact CD1-CE 3.78Å; I9-M27 HydrophobicContact CG1-CE 3.96Å; I9-M27 HydrophobicContact CG1-SD 4.38Å; K23-M27 WeakPolarHBondContact O-CG 3.39Å; K23-M27 PolarHBondContact O-N 2.74Å; A24-M27 PolarHBondContact O-N 3.09Å; M27-L29 VanDerWaalsContact C-N 3.33Å; M27-L29 PolarHBondContact O-N 3.38Å; M27-A30 PolarHBondContact O-N 3.06Å; M27-G31 PolarHBondContact O-N 3.42Å; M27-V36 HydrophobicContact CE-CB 4.41Å; M27-V36 HydrophobicContact CE-CG1 3.97Å; M27-V36 HydrophobicContact CE-CG2 3.49Å; M27-V36 VanDerWaalsContact CE-CG2 3.49Å
28	R	45.1	Very low	47.6	Very low	126 Å²	126	63.5 Å²	63.5	48%	0.475	36%	0.359	S	S	.	.	H	α-helix	trans	-59	-43.5	171.2	-176.6	173.4	73	108.3	-7.3	111.6	A24 N25 G31 L33	A24-R28 WeakPolarHBondContact O-CB 3.34Å; A24-R28 PolarHBondContact O-N 2.96Å; N25-R28 PolarHBondContact O-N 3.19Å; N25-R28 PolarHBondContact OD1-NE 3.18Å; N25-R28 PolarHBondContact OD1-NH2 3.48Å; R28-G31 PolarHBondContact O-N 3.27Å; R28-L33 HydrophobicContact CG-CD1 4.49Å
29	L	43.8	Very low	47.4	Very low	146 Å²	146	62 Å²	62	76%	0.764	35%	0.348	S	S	*	.	H	α-helix	trans	-72	-26.1	176.8	-70.3	168.2	0	0	0	113.2	N25 Q26 M27 G31	N25-L29 WeakPolarHBondContact O-CB 3.43Å; N25-L29 VanDerWaalsContact O-CG 3.29Å; N25-L29 WeakPolarHBondContact O-CG 3.47Å; N25-L29 PolarHBondContact O-N 2.89Å; Q26-L29 PolarHBondContact O-N 3.41Å; M27-L29 VanDerWaalsContact C-N 3.33Å; M27-L29 PolarHBondContact O-N 3.38Å; L29-G31 VanDerWaalsContact C-N 3.28Å
30	A	44.9	Very low	47.4	Very low	68 Å²	68	61.1 Å²	61.1	56%	0.562	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.7	174.8	0	0	0	0	0	113.9	Q26 M27 T32	Q26-A30 WeakPolarHBondContact O-CB 3.25Å; Q26-A30 PolarHBondContact O-N 3.12Å; M27-A30 PolarHBondContact O-N 3.06Å; A30-T32 PolarHBondContact O-N 2.89Å
31	G	40.1	Very low	47	Very low	63 Å²	63	65.8 Å²	65.8	65%	0.649	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-2.4	-178.2	0	0	0	0	0	115	M27 R28 L29 L33	M27-G31 PolarHBondContact O-N 3.42Å; R28-G31 PolarHBondContact O-N 3.27Å; L29-G31 VanDerWaalsContact C-N 3.28Å; G31-L33 VanDerWaalsContact C-N 3.32Å; G31-L33 PolarHBondContact O-N 2.73Å
32	T	47.5	Very low	46.6	Very low	81 Å²	81	68.7 Å²	68.7	50%	0.497	39%	0.386	S	S	.	.			trans	-84.4	69.5	-178.8	56.2	0	0	0	0	111.2	A30	A30-T32 PolarHBondContact O-N 2.89Å
33	L	47.4	Very low	46	Very low	56 Å²	56	67.5 Å²	67.5	29%	0.293	38%	0.381	S	S	.	.			trans	-102.5	76.4	173.6	-79.2	169.1	0	0	0	111	R28 G31 R49	R28-L33 HydrophobicContact CG-CD1 4.49Å; G31-L33 VanDerWaalsContact C-N 3.32Å; G31-L33 PolarHBondContact O-N 2.73Å; L33-R49 HydrophobicContact CD1-CG 4.33Å
34	C	38.2	Very low	45.6	Very low	63 Å²	63	69.5 Å²	69.5	43%	0.426	39%	0.391	S	S	.	.	S	Bend	trans	-128	119	162.4	-59.3	0	0	0	0	107.4
35	D	46	Very low	45.3	Very low	49 Å²	49	71.6 Å²	71.6	26%	0.262	40%	0.397	S	S	.	.			trans	25.7	106.1	173.1	-51.2	-36.4	0	0	0	117.2	M6 H48	M6-D35 HydrophobicContact CE-CB 3.93Å; M6-D35 HydrophobicContact CG-CB 4.23Å; M6-D35 HydrophobicContact SD-CB 4.5Å; D35-H48 IonicContact OD1-CD2 2.78Å
36	V	50.3	Low	45	Very low	3 Å²	3	74 Å²	74	2%	0.018	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.2	-177.3	178.1	0	0	0	0	110.2	G7 I9 M27 I38 A47 L52	G7-V36 WeakPolarHBondContact O-CA 3.47Å; I9-V36 HydrophobicContact CB-CG1 4.36Å; I9-V36 HydrophobicContact CD1-CG1 3.74Å; I9-V36 HydrophobicContact CG1-CG1 3.79Å; M27-V36 HydrophobicContact CE-CB 4.41Å; M27-V36 HydrophobicContact CE-CG1 3.97Å; M27-V36 HydrophobicContact CE-CG2 3.49Å; M27-V36 VanDerWaalsContact CE-CG2 3.49Å; V36-I38 HydrophobicContact CG1-CG1 3.95Å; V36-I38 PolarHBondContact O-N 3.05Å; V36-A47 PolarHBondContact N-O 2.88Å; V36-A47 PolarHBondContact O-N 2.81Å; V36-L52 HydrophobicContact CB-CD1 3.96Å; V36-L52 HydrophobicContact CG1-CD1 4.44Å; V36-L52 HydrophobicContact CG2-CD1 3.63Å
37	I	49.2	Very low	44.9	Very low	23 Å²	23	68 Å²	68	12%	0.118	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	109.6	170.1	-49.8	-176.3	0	0	0	107.5	M6 G7 V8 I9 E44	M6-I37 HydrophobicContact SD-CD1 4.13Å; M6-I37 HydrophobicContact SD-CG1 4.43Å; G7-I37 PolarHBondContact O-N 3.13Å; V8-I37 HydrophobicContact CG2-CB 4.4Å; I9-I37 PolarHBondContact N-O 2.8Å; I37-E44 HydrophobicContact CG2-CB 4.08Å; I37-E44 HydrophobicContact CG2-CG 4.27Å
38	I	53.2	Low	45	Very low	15 Å²	15	71 Å²	71	8%	0.077	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.4	172.5	-52.8	179.9	0	0	0	107.3	I9 L11 V36 V40 F45 A47	I9-I38 WeakPolarHBondContact O-CA 3.27Å; L11-I38 HydrophobicContact CD1-CG2 3.83Å; L11-I38 HydrophobicContact CG-CG2 4.49Å; V36-I38 HydrophobicContact CG1-CG1 3.95Å; V36-I38 PolarHBondContact O-N 3.05Å; I38-V40 HydrophobicContact CG2-CG2 4.05Å; I38-F45 HydrophobicContact CB-CB 4.48Å; I38-F45 PolarHBondContact N-O 3.28Å; I38-F45 PolarHBondContact O-N 3.44Å; I38-A47 HydrophobicContact CD1-CB 3.72Å; I38-A47 HydrophobicContact CG1-CB 4.09Å
39	M	42.9	Very low	45	Very low	38 Å²	38	72.8 Å²	72.8	19%	0.187	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.1	170.7	-66.7	-179.6	47.8	0	0	110.1	I9 Q10 L11 Q43 E44	I9-M39 PolarHBondContact O-N 3.03Å; Q10-M39 HydrophobicContact CG-CB 4.23Å; Q10-M39 HydrophobicContact CG-CE 4.38Å; Q10-M39 HydrophobicContact CG-CG 4.37Å; Q10-M39 HydrophobicContact CG-SD 3.77Å; L11-M39 PolarHBondContact N-O 3.02Å; M39-Q43 WeakPolarHBondContact CA-O 3.46Å; M39-E44 HydrophobicContact CG-CG 4.08Å; M39-E44 HydrophobicContact SD-CG 4.49Å
40	V	47.3	Very low	45.1	Very low	39 Å²	39	67 Å²	67	24%	0.236	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.5	172.4	-174	0	0	0	0	107.4	L11 I38 S42 Q43 F45	L11-V40 HydrophobicContact CD1-CG2 4.38Å; I38-V40 HydrophobicContact CG2-CG2 4.05Å; V40-S42 PolarHBondContact O-N 2.95Å; V40-Q43 PolarHBondContact N-O 2.77Å; V40-Q43 VanDerWaalsContact N-O 3.09Å; V40-Q43 PolarHBondContact O-N 3.49Å; V40-F45 HydrophobicContact CB-CD2 4.47Å; V40-F45 HydrophobicContact CB-CE2 4.15Å; V40-F45 HydrophobicContact CG2-CD2 4.37Å; V40-F45 HydrophobicContact CG2-CE2 4.44Å
41	D	42.1	Very low	45.3	Very low	114 Å²	114	64.3 Å²	64.3	61%	0.61	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	37.5	177	-59.1	-22.5	0	0	0	115
42	S	43.9	Very low	45.9	Very low	112 Å²	112	62.4 Å²	62.4	78%	0.783	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	13.3	-179.3	-45.9	0	0	0	0	116.9	V40	V40-S42 PolarHBondContact O-N 2.95Å
43	Q	38.8	Very low	45.8	Very low	118 Å²	118	61.4 Å²	61.4	55%	0.551	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.9	161.6	-71.8	-177.4	-33.4	0	0	110.8	M39 V40 F45	M39-Q43 WeakPolarHBondContact CA-O 3.46Å; V40-Q43 PolarHBondContact N-O 2.77Å; V40-Q43 VanDerWaalsContact N-O 3.09Å; V40-Q43 PolarHBondContact O-N 3.49Å; Q43-F45 HydrophobicContact CB-CD2 4.44Å; Q43-F45 HydrophobicContact CB-CE2 3.65Å; Q43-F45 HydrophobicContact CB-CZ 4.07Å
44	E	41.5	Very low	45.8	Very low	126 Å²	126	61.1 Å²	61.1	59%	0.589	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.3	178.8	-65.1	-174.4	157	0	0	110.9	I37 M39	I37-E44 HydrophobicContact CG2-CB 4.08Å; I37-E44 HydrophobicContact CG2-CG 4.27Å; M39-E44 HydrophobicContact CG-CG 4.08Å; M39-E44 HydrophobicContact SD-CG 4.49Å
45	F	43.8	Very low	46.4	Very low	60 Å²	60	59.2 Å²	59.2	26%	0.263	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.4	176.9	-63.1	-91	0	0	0	110	I38 V40 Q43 A47	I38-F45 HydrophobicContact CB-CB 4.48Å; I38-F45 PolarHBondContact N-O 3.28Å; I38-F45 PolarHBondContact O-N 3.44Å; V40-F45 HydrophobicContact CB-CD2 4.47Å; V40-F45 HydrophobicContact CB-CE2 4.15Å; V40-F45 HydrophobicContact CG2-CD2 4.37Å; V40-F45 HydrophobicContact CG2-CE2 4.44Å; Q43-F45 HydrophobicContact CB-CD2 4.44Å; Q43-F45 HydrophobicContact CB-CE2 3.65Å; Q43-F45 HydrophobicContact CB-CZ 4.07Å; F45-A47 PolarHBondContact O-N 3.03Å
46	H	42.4	Very low	46.5	Very low	91 Å²	91	58 Å²	58	42%	0.421	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	100.4	176.3	-66.8	-72.6	0	0	0	110.7
47	A	48	Very low	46.3	Very low	8 Å²	8	63.2 Å²	63.2	7%	0.066	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110.7	178.2	0	0	0	0	0	111.2	V36 I38 F45 L52	V36-A47 PolarHBondContact N-O 2.88Å; V36-A47 PolarHBondContact O-N 2.81Å; I38-A47 HydrophobicContact CD1-CB 3.72Å; I38-A47 HydrophobicContact CG1-CB 4.09Å; F45-A47 PolarHBondContact O-N 3.03Å; A47-L52 HydrophobicContact CB-CG 4.49Å
48	H	48.9	Very low	46.2	Very low	93 Å²	93	64.9 Å²	64.9	43%	0.431	34%	0.338	S	S	.	.			trans	-67.9	159.8	168.6	-171.3	-114.8	0	0	0	111	D35 T50 V51	D35-H48 IonicContact OD1-CD2 2.78Å; H48-T50 PolarHBondContact ND1-OG1 3Å; H48-T50 PolarHBondContact O-N 3.12Å; H48-V51 PolarHBondContact O-N 3.36Å
49	R	45.7	Very low	46	Very low	162 Å²	162	65.4 Å²	65.4	61%	0.611	34%	0.339	S	S	*	.	H	α-helix	trans	-50.1	-32.8	179.6	-178.5	175.7	174	-177.9	-3	113.4	L33 A53	L33-R49 HydrophobicContact CD1-CG 4.33Å; R49-A53 PolarHBondContact O-N 3.24Å
50	T	44.7	Very low	46.1	Very low	24 Å²	24	68.1 Å²	68.1	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-48.4	175.9	-39.6	0	0	0	0	112.6	H48 L52 A53 C54 L103	H48-T50 PolarHBondContact ND1-OG1 3Å; H48-T50 PolarHBondContact O-N 3.12Å; T50-L52 VanDerWaalsContact C-N 3.29Å; T50-L52 PolarHBondContact O-N 3.41Å; T50-A53 WeakPolarHBondContact O-CA 3.47Å; T50-A53 WeakPolarHBondContact O-CB 3.15Å; T50-A53 PolarHBondContact O-N 2.92Å; T50-C54 PolarHBondContact O-N 3Å; T50-C54 PolarHBondContact O-SG 3.17Å; T50-C54 VanDerWaalsContact O-SG 3.41Å; T50-L103 HydrophobicContact CG2-CD1 3.71Å; T50-L103 HydrophobicContact CG2-CD2 4.22Å; T50-L103 HydrophobicContact CG2-CG 3.98Å
51	V	49.8	Very low	45.9	Very low	13 Å²	13	70.3 Å²	70.3	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-36.9	-175.8	-177	0	0	0	0	110.9	H48 A53 T55 L84 T91	H48-V51 PolarHBondContact O-N 3.36Å; V51-A53 VanDerWaalsContact C-N 3.33Å; V51-T55 WeakPolarHBondContact O-CB 3.41Å; V51-T55 WeakPolarHBondContact O-CG2 3.34Å; V51-T55 PolarHBondContact O-N 2.96Å; V51-T55 PolarHBondContact O-OG1 3.32Å; V51-L84 HydrophobicContact CG1-CD2 4.43Å; V51-T91 HydrophobicContact CG2-CG2 4.29Å
52	L	51.4	Low	45.7	Very low	23 Å²	23	69.2 Å²	69.2	12%	0.12	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-27.3	173.4	-71.7	168	0	0	0	113.1	A24 V36 A47 T50 T55 S56	A24-L52 HydrophobicContact CB-CD2 4.11Å; V36-L52 HydrophobicContact CB-CD1 3.96Å; V36-L52 HydrophobicContact CG1-CD1 4.44Å; V36-L52 HydrophobicContact CG2-CD1 3.63Å; A47-L52 HydrophobicContact CB-CG 4.49Å; T50-L52 VanDerWaalsContact C-N 3.29Å; T50-L52 PolarHBondContact O-N 3.41Å; L52-T55 WeakPolarHBondContact CA-OG1 3.17Å; L52-T55 PolarHBondContact O-OG1 2.97Å; L52-S56 VanDerWaalsContact O-CB 3.23Å; L52-S56 WeakPolarHBondContact O-CB 3.48Å; L52-S56 PolarHBondContact O-N 3.27Å
53	A	46.5	Very low	45.5	Very low	59 Å²	59	71.4 Å²	71.4	49%	0.488	35%	0.35	S	S	.	.	H	α-helix	trans	-74.9	-49.4	172.6	0	0	0	0	0	111.3	R49 T50 V51 S56 K57	R49-A53 PolarHBondContact O-N 3.24Å; T50-A53 WeakPolarHBondContact O-CA 3.47Å; T50-A53 WeakPolarHBondContact O-CB 3.15Å; T50-A53 PolarHBondContact O-N 2.92Å; V51-A53 VanDerWaalsContact C-N 3.33Å; A53-S56 PolarHBondContact O-N 3.27Å; A53-K57 WeakPolarHBondContact O-CB 3.27Å; A53-K57 PolarHBondContact O-N 2.79Å
54	C	47	Very low	45.5	Very low	51 Å²	51	73.9 Å²	73.9	35%	0.345	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-48.4	179	-60.2	0	0	0	0	111.5	T50 S56 K57 M58	T50-C54 PolarHBondContact O-N 3Å; T50-C54 PolarHBondContact O-SG 3.17Å; T50-C54 VanDerWaalsContact O-SG 3.41Å; C54-S56 PolarHBondContact O-N 3.38Å; C54-K57 CarbonylContact O-C 3.56Å; C54-K57 WeakPolarHBondContact O-CA 3.43Å; C54-K57 PolarHBondContact O-N 3.33Å; C54-M58 WeakPolarHBondContact O-CG 3.39Å; C54-M58 PolarHBondContact O-N 2.88Å
55	T	50.3	Low	45.3	Very low	22 Å²	22	76 Å²	76	14%	0.135	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-43.4	175.8	50.1	0	0	0	0	112.3	V51 L52 K57 M58 F59 L84	V51-T55 WeakPolarHBondContact O-CB 3.41Å; V51-T55 WeakPolarHBondContact O-CG2 3.34Å; V51-T55 PolarHBondContact O-N 2.96Å; V51-T55 PolarHBondContact O-OG1 3.32Å; L52-T55 WeakPolarHBondContact CA-OG1 3.17Å; L52-T55 PolarHBondContact O-OG1 2.97Å; T55-K57 VanDerWaalsContact C-N 3.26Å; T55-K57 PolarHBondContact O-N 2.9Å; T55-M58 PolarHBondContact O-N 3.42Å; T55-F59 WeakPolarHBondContact O-CD2 3.41Å; T55-F59 PolarHBondContact O-N 3.2Å; T55-L84 HydrophobicContact CG2-CD2 3.96Å
56	S	47.8	Very low	45.4	Very low	25 Å²	25	75.4 Å²	75.4	18%	0.175	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-33.9	173.8	-169.7	0	0	0	0	112.4	L52 A53 C54 E60	L52-S56 VanDerWaalsContact O-CB 3.23Å; L52-S56 WeakPolarHBondContact O-CB 3.48Å; L52-S56 PolarHBondContact O-N 3.27Å; A53-S56 PolarHBondContact O-N 3.27Å; C54-S56 PolarHBondContact O-N 3.38Å; S56-E60 PolarHBondContact O-N 3.11Å
57	K	46.9	Very low	45.2	Very low	111 Å²	111	76.6 Å²	76.6	48%	0.483	39%	0.386	S	S	.	.	H	α-helix	trans	-75.3	-38.6	178.3	-162.4	72.9	-159.4	165.6	0	112.5	A53 C54 T55 F59 E60 I61	A53-K57 WeakPolarHBondContact O-CB 3.27Å; A53-K57 PolarHBondContact O-N 2.79Å; C54-K57 CarbonylContact O-C 3.56Å; C54-K57 WeakPolarHBondContact O-CA 3.43Å; C54-K57 PolarHBondContact O-N 3.33Å; T55-K57 VanDerWaalsContact C-N 3.26Å; T55-K57 PolarHBondContact O-N 2.9Å; K57-F59 VanDerWaalsContact C-N 3.33Å; K57-F59 PolarHBondContact O-N 2.92Å; K57-E60 IonicContact NZ-OE2 2.84Å; K57-E60 PolarHBondContact NZ-OE2 3.23Å; K57-E60 PolarHBondContact O-N 2.95Å; K57-I61 HydrophobicContact CG-CD1 4.21Å; K57-I61 VanDerWaalsContact O-CG1 3.3Å; K57-I61 WeakPolarHBondContact O-CG1 3.27Å; K57-I61 PolarHBondContact O-N 3.21Å
58	M	47.5	Very low	44.8	Very low	59 Å²	59	83.9 Å²	83.9	29%	0.291	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-44.8	170	-67.1	178.6	84.7	0	0	110.8	C54 T55 I61 L62 I83 L114	C54-M58 WeakPolarHBondContact O-CG 3.39Å; C54-M58 PolarHBondContact O-N 2.88Å; T55-M58 PolarHBondContact O-N 3.42Å; M58-I61 PolarHBondContact O-N 2.86Å; M58-L62 WeakPolarHBondContact O-CB 3.38Å; M58-L62 VanDerWaalsContact O-CG 3.28Å; M58-L62 WeakPolarHBondContact O-CG 3.01Å; M58-L62 PolarHBondContact O-N 3.18Å; M58-I83 HydrophobicContact CE-CG2 3.89Å; M58-I83 HydrophobicContact SD-CG2 4.11Å; M58-L114 HydrophobicContact CE-CD2 4Å
59	F	48.1	Very low	44.4	Very low	25 Å²	25	87.7 Å²	87.7	11%	0.11	44%	0.436	C	S	.	.	H	α-helix	trans	-63.1	-40.1	174.4	-78.3	-61.8	0	0	0	112.8	P17 L21 T55 K57 F63 L72 F80	P17-F59 HydrophobicContact CB-CE1 3.98Å; P17-F59 HydrophobicContact CB-CZ 3.61Å; P17-F59 HydrophobicContact CG-CE1 4.22Å; P17-F59 HydrophobicContact CG-CZ 4.33Å; L21-F59 HydrophobicContact CD1-CD2 4.27Å; L21-F59 HydrophobicContact CD2-CB 4.18Å; L21-F59 HydrophobicContact CD2-CD2 4.5Å; L21-F59 HydrophobicContact CD2-CG 4.29Å; T55-F59 WeakPolarHBondContact O-CD2 3.41Å; T55-F59 PolarHBondContact O-N 3.2Å; K57-F59 VanDerWaalsContact C-N 3.33Å; K57-F59 PolarHBondContact O-N 2.92Å; F59-F63 VanDerWaalsContact O-CB 3.31Å; F59-F63 WeakPolarHBondContact O-CB 3.31Å; F59-F63 PolarHBondContact O-N 3.31Å; F59-F63 VanDerWaalsContact O-N 3.11Å; F59-L72 HydrophobicContact CE1-CD2 4.1Å; F59-F80 HydrophobicContact CE2-CE2 4.28Å; F59-F80 AromaticContact CZ-CE2 3.91Å; F59-F80 HydrophobicContact CZ-CE2 3.91Å
60	E	46	Very low	43.8	Very low	96 Å²	96	89 Å²	89	45%	0.449	44%	0.442	S	S	.	.	H	α-helix	trans	-59.8	-48.1	171.7	-78.5	-177.9	-177.5	0	0	112	S56 K57 F63 H64	S56-E60 PolarHBondContact O-N 3.11Å; K57-E60 IonicContact NZ-OE2 2.84Å; K57-E60 PolarHBondContact NZ-OE2 3.23Å; K57-E60 PolarHBondContact O-N 2.95Å; E60-F63 PolarHBondContact O-N 2.88Å; E60-H64 WeakPolarHBondContact O-CB 3.39Å; E60-H64 PolarHBondContact O-N 3.42Å
61	I	41.8	Very low	43.2	Very low	84 Å²	84	92.4 Å²	92.4	43%	0.431	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-45.1	-177.6	-68.7	166.1	0	0	0	111.3	K57 M58 F63 H64	K57-I61 HydrophobicContact CG-CD1 4.21Å; K57-I61 VanDerWaalsContact O-CG1 3.3Å; K57-I61 WeakPolarHBondContact O-CG1 3.27Å; K57-I61 PolarHBondContact O-N 3.21Å; M58-I61 PolarHBondContact O-N 2.86Å; I61-F63 VanDerWaalsContact C-N 3.27Å; I61-F63 PolarHBondContact O-N 3.35Å; I61-H64 PolarHBondContact O-N 3.22Å
62	L	39.7	Very low	42.6	Very low	91 Å²	91	95.2 Å²	95.2	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-61.2	-35.9	176.5	-71.9	169.8	0	0	0	112	M58 S66 L75	M58-L62 WeakPolarHBondContact O-CB 3.38Å; M58-L62 VanDerWaalsContact O-CG 3.28Å; M58-L62 WeakPolarHBondContact O-CG 3.01Å; M58-L62 PolarHBondContact O-N 3.18Å; L62-S66 PolarHBondContact O-OG 3.12Å; L62-L75 HydrophobicContact CD1-CD1 4.41Å
63	F	38.7	Very low	41.9	Very low	159 Å²	159	99.4 Å²	99.4	70%	0.697	50%	0.5	S	S	*	.	H	α-helix	trans	-80.1	-29.7	179.6	-151.8	-95.4	0	0	0	113.2	F59 E60 I61 S66	F59-F63 VanDerWaalsContact O-CB 3.31Å; F59-F63 WeakPolarHBondContact O-CB 3.31Å; F59-F63 PolarHBondContact O-N 3.31Å; F59-F63 VanDerWaalsContact O-N 3.11Å; E60-F63 PolarHBondContact O-N 2.88Å; I61-F63 VanDerWaalsContact C-N 3.27Å; I61-F63 PolarHBondContact O-N 3.35Å; F63-S66 PolarHBondContact O-N 3.17Å; F63-S66 PolarHBondContact O-OG 2.99Å
64	H	38.8	Very low	41.2	Very low	170 Å²	170	104.7 Å²	104.7	79%	0.787	51%	0.512	S	S	*	.	H	α-helix	trans	-79.8	-17.5	-172.5	-134.3	-52.9	0	0	0	114.6	E60 I61	E60-H64 WeakPolarHBondContact O-CB 3.39Å; E60-H64 PolarHBondContact O-N 3.42Å; I61-H64 PolarHBondContact O-N 3.22Å
65	R	36.8	Very low	40.9	Very low	171 Å²	171	105.6 Å²	105.6	65%	0.645	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-11.2	173.6	-68.1	176.9	81.6	123.3	-15.1	113.6	E115	R65-E115 IonicContact CZ-OE1 3.13Å; R65-E115 VanDerWaalsContact CZ-OE1 3.27Å; R65-E115 IonicContact NH1-OE1 3.26Å; R65-E115 PolarHBondContact NH1-OE1 3.41Å; R65-E115 IonicContact NH2-OE1 2.68Å; R65-E115 PolarHBondContact NH2-OE1 2.65Å
66	S	45.5	Very low	40.6	Very low	46 Å²	46	107 Å²	107	32%	0.322	53%	0.525	S	S	.	.			trans	-113.7	39.3	-162.7	65.1	0	0	0	0	114	L62 F63 Q68	L62-S66 PolarHBondContact O-OG 3.12Å; F63-S66 PolarHBondContact O-N 3.17Å; F63-S66 PolarHBondContact O-OG 2.99Å; S66-Q68 PolarHBondContact O-N 3.02Å; S66-Q68 VanDerWaalsContact O-N 3.09Å
67	S	39.3	Very low	40.3	Very low	117 Å²	117	109.3 Å²	109.3	82%	0.818	54%	0.539	S	S	*	.	S	Bend	trans	-69.9	0.7	178.4	56.6	0	0	0	0	114.6
68	Q	39.7	Very low	39.9	Very low	160 Å²	160	111.7 Å²	111.7	75%	0.748	55%	0.549	S	S	*	.	S	Bend	trans	-134	107.8	171.7	-66.3	-173.7	-7.8	0	0	110.2	S66	S66-Q68 PolarHBondContact O-N 3.02Å; S66-Q68 VanDerWaalsContact O-N 3.09Å
69	H	39.6	Very low	39.7	Very low	174 Å²	174	111.6 Å²	111.6	81%	0.806	55%	0.552	S	S	*	*	S	Bend	trans	57	66.8	158.1	-55	-75.8	0	0	0	120.2
70	Y	32.9	Very low	39.6	Very low	188 Å²	188	112.7 Å²	112.7	74%	0.737	56%	0.557	S	S	*	*			trans	-148.9	145.6	143	-85.3	-64.7	0	0	0	111.9	F74	Y70-F74 HydrophobicContact CD1-CE2 4.27Å; Y70-F74 HydrophobicContact CE1-CE2 4.39Å
71	T	33.4	Very low	39.5	Very low	97 Å²	97	112.4 Å²	112.4	60%	0.595	56%	0.555	S	S	*	*			trans	-93.5	161.7	169.1	47.1	0	0	0	0	111.1	D73	T71-D73 WeakPolarHBondContact CB-OD2 3.37Å; T71-D73 PolarHBondContact O-N 3.12Å; T71-D73 PolarHBondContact OG1-OD2 3.09Å
72	L	37.2	Very low	39.7	Very low	72 Å²	72	114.4 Å²	114.4	38%	0.377	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-74.4	10.8	-170.3	-111.4	165.4	0	0	0	114.9	P17 F59 F74	P17-L72 HydrophobicContact CG-CD1 4.47Å; P17-L72 HydrophobicContact CG-CD2 4.44Å; F59-L72 HydrophobicContact CE1-CD2 4.1Å; L72-F74 VanDerWaalsContact C-N 3.3Å; L72-F74 PolarHBondContact O-N 3.29Å
73	D	35.8	Very low	40	Very low	110 Å²	110	112.9 Å²	112.9	59%	0.588	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-78.7	-9.7	-167.2	-50.6	-55	0	0	0	114	T71	T71-D73 WeakPolarHBondContact CB-OD2 3.37Å; T71-D73 PolarHBondContact O-N 3.12Å; T71-D73 PolarHBondContact OG1-OD2 3.09Å
74	F	33.2	Very low	40.4	Very low	170 Å²	170	107.4 Å²	107.4	75%	0.746	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-86.3	-12.1	-172.7	-86.1	-86.3	0	0	0	115.7	Y70 L72 S76	Y70-F74 HydrophobicContact CD1-CE2 4.27Å; Y70-F74 HydrophobicContact CE1-CE2 4.39Å; L72-F74 VanDerWaalsContact C-N 3.3Å; L72-F74 PolarHBondContact O-N 3.29Å; F74-S76 PolarHBondContact O-N 3.48Å
75	L	40.5	Very low	40.7	Very low	70 Å²	70	104.4 Å²	104.4	37%	0.366	52%	0.519	S	S	.	.	S	Bend	trans	-80.6	101	170.6	-76.7	176	0	0	0	109.7	L62 T79	L62-L75 HydrophobicContact CD1-CD1 4.41Å; L75-T79 HydrophobicContact CD2-CG2 4.24Å
76	S	42.6	Very low	41.1	Very low	53 Å²	53	103.9 Å²	103.9	37%	0.371	52%	0.518	S	S	.	.			trans	-56.8	143.3	175.3	92.7	0	0	0	0	110.4	F74 K78 T79 F80	F74-S76 PolarHBondContact O-N 3.48Å; S76-K78 PolarHBondContact O-N 3.05Å; S76-T79 WeakPolarHBondContact O-CA 3.36Å; S76-T79 WeakPolarHBondContact O-CB 3.43Å; S76-T79 PolarHBondContact O-N 3.07Å; S76-T79 PolarHBondContact OG-N 2.9Å; S76-T79 PolarHBondContact OG-OG1 3.25Å; S76-F80 PolarHBondContact O-N 2.9Å
77	P	41.6	Very low	41.1	Very low	73 Å²	73	103 Å²	103	47%	0.474	51%	0.514	S	S	.	.	H	α-helix	trans	-54.8	-31.6	-178.9	-30	36.3	0	0	0	113.8	Q81	P77-Q81 VanDerWaalsContact O-CB 3.28Å; P77-Q81 WeakPolarHBondContact O-CB 3.49Å; P77-Q81 PolarHBondContact O-N 3.15Å
78	K	39.6	Very low	41.3	Very low	160 Å²	160	101 Å²	101	70%	0.696	49%	0.489	S	S	*	.	H	α-helix	trans	-67.2	-41	174.5	-65.9	-175.3	177.5	-176.9	0	112.6	S76 Q81 Q82	S76-K78 PolarHBondContact O-N 3.05Å; K78-Q81 PolarHBondContact O-N 2.83Å; K78-Q82 WeakPolarHBondContact O-CB 3.21Å; K78-Q82 WeakPolarHBondContact O-CG 3.28Å; K78-Q82 PolarHBondContact O-N 3.36Å
79	T	43.1	Very low	41.5	Very low	58 Å²	58	96.2 Å²	96.2	36%	0.356	47%	0.471	S	S	.	.	H	α-helix	trans	-64.9	-43.1	176.8	-45.8	0	0	0	0	110.6	L75 S76 Q82 I83	L75-T79 HydrophobicContact CD2-CG2 4.24Å; S76-T79 WeakPolarHBondContact O-CA 3.36Å; S76-T79 WeakPolarHBondContact O-CB 3.43Å; S76-T79 PolarHBondContact O-N 3.07Å; S76-T79 PolarHBondContact OG-N 2.9Å; S76-T79 PolarHBondContact OG-OG1 3.25Å; T79-Q82 PolarHBondContact O-N 3.34Å; T79-I83 HydrophobicContact CG2-CD1 4.39Å; T79-I83 WeakPolarHBondContact O-CD1 3.41Å; T79-I83 WeakPolarHBondContact O-CG1 3.42Å; T79-I83 PolarHBondContact O-N 2.96Å; T79-I83 VanDerWaalsContact O-N 3.12Å
80	F	45.6	Very low	41.6	Very low	47 Å²	47	89.7 Å²	89.7	21%	0.206	45%	0.446	C	S	.	.	H	α-helix	trans	-64.3	-41.2	175.2	-176.5	-108.8	0	0	0	112.3	L20 F59 S76 I83 L84	L20-F80 HydrophobicContact CD1-CE1 4.48Å; L20-F80 HydrophobicContact CD1-CZ 4.23Å; F59-F80 HydrophobicContact CE2-CE2 4.28Å; F59-F80 AromaticContact CZ-CE2 3.91Å; F59-F80 HydrophobicContact CZ-CE2 3.91Å; S76-F80 PolarHBondContact O-N 2.9Å; F80-I83 PolarHBondContact O-N 3.37Å; F80-L84 HydrophobicContact CD1-CD1 3.98Å; F80-L84 HydrophobicContact CE1-CD1 3.53Å; F80-L84 HydrophobicContact CZ-CD1 3.86Å; F80-L84 PolarHBondContact O-N 3.45Å; F80-L84 VanDerWaalsContact O-N 3.15Å
81	Q	44.5	Very low	42	Very low	90 Å²	90	82.9 Å²	82.9	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-45.2	174.8	-175.1	173.4	6.8	0	0	112.1	P77 K78 I83 L84 E85	P77-Q81 VanDerWaalsContact O-CB 3.28Å; P77-Q81 WeakPolarHBondContact O-CB 3.49Å; P77-Q81 PolarHBondContact O-N 3.15Å; K78-Q81 PolarHBondContact O-N 2.83Å; Q81-I83 VanDerWaalsContact C-N 3.34Å; Q81-I83 PolarHBondContact O-N 2.9Å; Q81-L84 PolarHBondContact O-N 2.82Å; Q81-E85 WeakPolarHBondContact O-CB 3.41Å; Q81-E85 PolarHBondContact O-N 3.49Å
82	Q	44.7	Very low	42.3	Very low	127 Å²	127	83.6 Å²	83.6	59%	0.593	42%	0.424	S	S	*	.	H	α-helix	trans	-62.7	-37.4	177.6	-75.7	177.9	-52.4	0	0	112.9	K78 T79 E85 Y86	K78-Q82 WeakPolarHBondContact O-CB 3.21Å; K78-Q82 WeakPolarHBondContact O-CG 3.28Å; K78-Q82 PolarHBondContact O-N 3.36Å; T79-Q82 PolarHBondContact O-N 3.34Å; Q82-E85 PolarHBondContact O-N 2.62Å; Q82-Y86 VanDerWaalsContact O-CB 3.29Å; Q82-Y86 WeakPolarHBondContact O-CB 3.26Å; Q82-Y86 PolarHBondContact O-N 3.39Å
83	I	47.3	Very low	42.4	Very low	59 Å²	59	88.1 Å²	88.1	30%	0.303	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-44.1	175	-70.8	163.2	0	0	0	110.8	M58 T79 F80 Q81 A87	M58-I83 HydrophobicContact CE-CG2 3.89Å; M58-I83 HydrophobicContact SD-CG2 4.11Å; T79-I83 HydrophobicContact CG2-CD1 4.39Å; T79-I83 WeakPolarHBondContact O-CD1 3.41Å; T79-I83 WeakPolarHBondContact O-CG1 3.42Å; T79-I83 PolarHBondContact O-N 2.96Å; T79-I83 VanDerWaalsContact O-N 3.12Å; F80-I83 PolarHBondContact O-N 3.37Å; Q81-I83 VanDerWaalsContact C-N 3.34Å; Q81-I83 PolarHBondContact O-N 2.9Å; I83-A87 WeakPolarHBondContact O-CB 3.48Å; I83-A87 PolarHBondContact O-N 3.13Å
84	L	47.3	Very low	42.4	Very low	44 Å²	44	84 Å²	84	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-64.9	-41.1	175.8	-77.8	168.4	0	0	0	112.4	V51 T55 F80 Q81 A87 Y88	V51-L84 HydrophobicContact CG1-CD2 4.43Å; T55-L84 HydrophobicContact CG2-CD2 3.96Å; F80-L84 HydrophobicContact CD1-CD1 3.98Å; F80-L84 HydrophobicContact CE1-CD1 3.53Å; F80-L84 HydrophobicContact CZ-CD1 3.86Å; F80-L84 PolarHBondContact O-N 3.45Å; F80-L84 VanDerWaalsContact O-N 3.15Å; Q81-L84 PolarHBondContact O-N 2.82Å; L84-A87 PolarHBondContact O-N 3.15Å; L84-Y88 WeakPolarHBondContact O-CB 3.29Å; L84-Y88 PolarHBondContact O-N 3.13Å
85	E	45.2	Very low	42.6	Very low	107 Å²	107	83.4 Å²	83.4	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-69.7	-37.3	-179.6	-167.7	166.2	-137.2	0	0	112	Q81 Q82 T89	Q81-E85 WeakPolarHBondContact O-CB 3.41Å; Q81-E85 PolarHBondContact O-N 3.49Å; Q82-E85 PolarHBondContact O-N 2.62Å; E85-T89 WeakPolarHBondContact O-CB 3.48Å; E85-T89 WeakPolarHBondContact O-CG2 3.45Å; E85-T89 PolarHBondContact O-N 3.09Å; E85-T89 PolarHBondContact O-OG1 2.96Å
86	Y	45.2	Very low	42.6	Very low	159 Å²	159	86.8 Å²	86.8	62%	0.624	45%	0.445	S	S	*	.	H	α-helix	trans	-64.7	-50.3	171	-177.9	-102.1	0	0	0	111.8	Q82 Y88 T89 A90	Q82-Y86 VanDerWaalsContact O-CB 3.29Å; Q82-Y86 WeakPolarHBondContact O-CB 3.26Å; Q82-Y86 PolarHBondContact O-N 3.39Å; Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.88Å; Y86-T89 PolarHBondContact O-N 3.44Å; Y86-T89 PolarHBondContact O-OG1 3.37Å; Y86-T89 VanDerWaalsContact O-OG1 3.07Å; Y86-A90 WeakPolarHBondContact O-CB 3.48Å; Y86-A90 PolarHBondContact O-N 3.13Å
87	A	45.1	Very low	42.5	Very low	29 Å²	29	93.1 Å²	93.1	24%	0.24	47%	0.469	C	S	.	.	H	α-helix	trans	-60	-40.8	177.1	0	0	0	0	0	112	I83 L84 T91	I83-A87 WeakPolarHBondContact O-CB 3.48Å; I83-A87 PolarHBondContact O-N 3.13Å; L84-A87 PolarHBondContact O-N 3.15Å; A87-T91 WeakPolarHBondContact O-CG2 3.34Å; A87-T91 PolarHBondContact O-N 3.39Å; A87-T91 PolarHBondContact O-OG1 3.48Å
88	Y	43.1	Very low	42.3	Very low	75 Å²	75	93.5 Å²	93.5	29%	0.294	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-48.2	177.4	-176	-119.7	0	0	0	112.1	L84 Y86 A90 T91 L92	L84-Y88 WeakPolarHBondContact O-CB 3.29Å; L84-Y88 PolarHBondContact O-N 3.13Å; Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.88Å; Y88-A90 PolarHBondContact O-N 2.97Å; Y88-T91 PolarHBondContact O-N 2.85Å; Y88-T91 PolarHBondContact O-OG1 3.17Å; Y88-L92 HydrophobicContact CD1-CD1 3.91Å; Y88-L92 HydrophobicContact CE1-CD1 3.46Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.46Å; Y88-L92 HydrophobicContact CE1-CG 4.42Å; Y88-L92 HydrophobicContact CE2-CD1 4.2Å; Y88-L92 HydrophobicContact CE2-CG 4.34Å; Y88-L92 HydrophobicContact CG-CD1 4.45Å; Y88-L92 PolarHBondContact O-N 3.04Å
89	T	43.7	Very low	42.3	Very low	59 Å²	59	88.1 Å²	88.1	36%	0.362	45%	0.445	S	S	.	.	H	α-helix	trans	-65.1	-36.1	178.4	48.3	0	0	0	0	112.8	E85 Y86 L92 Q93	E85-T89 WeakPolarHBondContact O-CB 3.48Å; E85-T89 WeakPolarHBondContact O-CG2 3.45Å; E85-T89 PolarHBondContact O-N 3.09Å; E85-T89 PolarHBondContact O-OG1 2.96Å; Y86-T89 PolarHBondContact O-N 3.44Å; Y86-T89 PolarHBondContact O-OG1 3.37Å; Y86-T89 VanDerWaalsContact O-OG1 3.07Å; T89-L92 PolarHBondContact O-N 3.49Å; T89-Q93 WeakPolarHBondContact O-CG 3.36Å; T89-Q93 PolarHBondContact O-N 3.3Å
90	A	42.5	Very low	42.1	Very low	36 Å²	36	91.6 Å²	91.6	30%	0.298	46%	0.462	S	S	.	.	H	α-helix	trans	-60.4	-46.8	170.3	0	0	0	0	0	112	Y86 Y88 L92 Q93 A94	Y86-A90 WeakPolarHBondContact O-CB 3.48Å; Y86-A90 PolarHBondContact O-N 3.13Å; Y88-A90 PolarHBondContact O-N 2.97Å; A90-L92 VanDerWaalsContact C-N 3.29Å; A90-L92 PolarHBondContact O-N 3.36Å; A90-Q93 PolarHBondContact O-N 3.2Å; A90-A94 PolarHBondContact O-N 3.49Å
91	T	41.1	Very low	41.8	Very low	46 Å²	46	94.9 Å²	94.9	28%	0.282	48%	0.481	S	S	.	.	H	α-helix	trans	-67.8	-23.9	177.4	57.3	0	0	0	0	114.5	V51 A87 Y88	V51-T91 HydrophobicContact CG2-CG2 4.29Å; A87-T91 WeakPolarHBondContact O-CG2 3.34Å; A87-T91 PolarHBondContact O-N 3.39Å; A87-T91 PolarHBondContact O-OG1 3.48Å; Y88-T91 PolarHBondContact O-N 2.85Å; Y88-T91 PolarHBondContact O-OG1 3.17Å
92	L	40	Very low	41.4	Very low	111 Å²	111	93.9 Å²	93.9	58%	0.581	48%	0.479	S	S	*	.	H	α-helix	trans	-80.8	-22.5	176.6	-82.9	174.6	0	0	0	114	Y88 T89 A90	Y88-L92 HydrophobicContact CD1-CD1 3.91Å; Y88-L92 HydrophobicContact CE1-CD1 3.46Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.46Å; Y88-L92 HydrophobicContact CE1-CG 4.42Å; Y88-L92 HydrophobicContact CE2-CD1 4.2Å; Y88-L92 HydrophobicContact CE2-CG 4.34Å; Y88-L92 HydrophobicContact CG-CD1 4.45Å; Y88-L92 PolarHBondContact O-N 3.04Å; T89-L92 PolarHBondContact O-N 3.49Å; A90-L92 VanDerWaalsContact C-N 3.29Å; A90-L92 PolarHBondContact O-N 3.36Å
93	Q	38.8	Very low	41.3	Very low	168 Å²	168	91.3 Å²	91.3	79%	0.785	47%	0.468	S	S	*	.	H	α-helix	trans	-91.5	-17.9	-179	-69.3	-178.1	13	0	0	113.3	T89 A90	T89-Q93 WeakPolarHBondContact O-CG 3.36Å; T89-Q93 PolarHBondContact O-N 3.3Å; A90-Q93 PolarHBondContact O-N 3.2Å
94	A	36.1	Very low	40.9	Very low	23 Å²	23	95.5 Å²	95.5	19%	0.19	48%	0.481	C	S	.	.	S	Bend	trans	-69.9	137.4	172.1	0	0	0	0	0	111.6	A90 L99 L102	A90-A94 PolarHBondContact O-N 3.49Å; A94-L99 HydrophobicContact CB-CD1 4.24Å; A94-L102 HydrophobicContact CB-CD1 4.16Å; A94-L102 HydrophobicContact CB-CD2 4.13Å
95	K	36.6	Very low	40.3	Very low	158 Å²	158	95.2 Å²	95.2	69%	0.687	49%	0.485	S	S	*	.			trans	-80	160.6	164.5	-59	172.3	-177.6	166.5	0	109.4	E97 D98 L99	K95-E97 PolarHBondContact O-N 3.46Å; K95-E97 VanDerWaalsContact O-N 3.13Å; K95-D98 WeakPolarHBondContact CB-OD2 3.24Å; K95-D98 PolarHBondContact O-N 3.01Å; K95-L99 PolarHBondContact O-N 2.72Å
96	V	39.8	Very low	40	Very low	140 Å²	140	91.5 Å²	91.5	85%	0.848	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.2	-176.8	-175.4	0	0	0	0	112.7
97	E	40.7	Very low	39.8	Very low	187 Å²	187	90.8 Å²	90.8	87%	0.874	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-23.4	179.5	-68	167.5	-151.3	0	0	113.2	K95	K95-E97 PolarHBondContact O-N 3.46Å; K95-E97 VanDerWaalsContact O-N 3.13Å
98	D	39.2	Very low	39.3	Very low	80 Å²	80	93.5 Å²	93.5	43%	0.428	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.6	178	-55.7	-54.8	0	0	0	112.2	K95 D100 D101 L102	K95-D98 WeakPolarHBondContact CB-OD2 3.24Å; K95-D98 PolarHBondContact O-N 3.01Å; D98-D100 PolarHBondContact O-N 2.95Å; D98-D101 PolarHBondContact O-N 2.75Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 PolarHBondContact O-N 3.32Å
99	L	38.1	Very low	39	Very low	48 Å²	48	95.6 Å²	95.6	25%	0.251	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-38.1	-164.9	-173.1	64.1	0	0	0	113.9	A94 K95 L102 L103	A94-L99 HydrophobicContact CB-CD1 4.24Å; K95-L99 PolarHBondContact O-N 2.72Å; L99-L102 PolarHBondContact O-N 3.02Å; L99-L103 HydrophobicContact CD1-CD1 4.21Å; L99-L103 HydrophobicContact CG-CD1 4.05Å; L99-L103 WeakPolarHBondContact O-CD1 3.45Å; L99-L103 PolarHBondContact O-N 3.23Å
100	D	39.8	Very low	39.1	Very low	131 Å²	131	96.4 Å²	96.4	70%	0.701	50%	0.5	S	S	*	.	H	α-helix	trans	-70.2	-37.1	176.3	-81.7	-22	0	0	0	111.5	D98 L102 L103 Y104	D98-D100 PolarHBondContact O-N 2.95Å; D100-L102 VanDerWaalsContact C-N 3.3Å; D100-L103 PolarHBondContact O-N 3.01Å; D100-Y104 WeakPolarHBondContact O-CB 3.48Å; D100-Y104 PolarHBondContact O-N 2.81Å
101	D	38.3	Very low	39	Very low	116 Å²	116	99 Å²	99	62%	0.62	51%	0.508	S	S	*	.	H	α-helix	trans	-68	-30.7	171.3	-82	-28.1	0	0	0	111.4	D98 Y104 A105	D98-D101 PolarHBondContact O-N 2.75Å; D101-Y104 PolarHBondContact O-N 3.32Å; D101-A105 WeakPolarHBondContact O-CB 3.13Å; D101-A105 PolarHBondContact O-N 3.04Å
102	L	37.2	Very low	38.7	Very low	69 Å²	69	104 Å²	104	36%	0.361	53%	0.529	S	S	.	.	H	α-helix	trans	-72.3	-36.1	172.6	-138.5	105	0	0	0	112.5	A94 D98 L99 D100 A106	A94-L102 HydrophobicContact CB-CD1 4.16Å; A94-L102 HydrophobicContact CB-CD2 4.13Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 PolarHBondContact O-N 3.32Å; L99-L102 PolarHBondContact O-N 3.02Å; D100-L102 VanDerWaalsContact C-N 3.3Å; L102-A106 VanDerWaalsContact O-CB 3.23Å; L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 2.79Å
103	L	41.7	Very low	38.7	Very low	72 Å²	72	105.8 Å²	105.8	38%	0.377	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-47.8	169.4	-96.6	82.9	0	0	0	110.6	T50 L99 D100 A106 E107	T50-L103 HydrophobicContact CG2-CD1 3.71Å; T50-L103 HydrophobicContact CG2-CD2 4.22Å; T50-L103 HydrophobicContact CG2-CG 3.98Å; L99-L103 HydrophobicContact CD1-CD1 4.21Å; L99-L103 HydrophobicContact CG-CD1 4.05Å; L99-L103 WeakPolarHBondContact O-CD1 3.45Å; L99-L103 PolarHBondContact O-N 3.23Å; D100-L103 PolarHBondContact O-N 3.01Å; L103-A106 PolarHBondContact O-N 2.78Å; L103-E107 WeakPolarHBondContact O-CB 3.17Å; L103-E107 PolarHBondContact O-N 3.44Å
104	Y	39.6	Very low	38.7	Very low	147 Å²	147	101.1 Å²	101.1	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-66.1	-39.2	-179.8	-171.5	-111.3	0	0	0	112	D100 D101 I108	D100-Y104 WeakPolarHBondContact O-CB 3.48Å; D100-Y104 PolarHBondContact O-N 2.81Å; D101-Y104 PolarHBondContact O-N 3.32Å; Y104-I108 HydrophobicContact CD1-CD1 3.94Å; Y104-I108 HydrophobicContact CD2-CD1 4.41Å; Y104-I108 HydrophobicContact CE1-CD1 3.61Å; Y104-I108 HydrophobicContact CE2-CD1 4.13Å; Y104-I108 HydrophobicContact CG-CD1 4.33Å; Y104-I108 WeakPolarHBondContact O-CD1 3.45Å; Y104-I108 VanDerWaalsContact O-CG1 3.29Å; Y104-I108 WeakPolarHBondContact O-CG1 3.49Å; Y104-I108 PolarHBondContact O-N 2.9Å
105	A	35.1	Very low	38.9	Very low	38 Å²	38	103.7 Å²	103.7	31%	0.314	52%	0.517	S	S	.	.	H	α-helix	trans	-68.4	-38	173.8	0	0	0	0	0	112.4	D101 I108 L109	D101-A105 WeakPolarHBondContact O-CB 3.13Å; D101-A105 PolarHBondContact O-N 3.04Å; A105-I108 PolarHBondContact O-N 3.37Å; A105-L109 HydrophobicContact CB-CD1 4.38Å; A105-L109 VanDerWaalsContact O-CB 3.22Å; A105-L109 WeakPolarHBondContact O-CB 3.44Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 3.47Å
106	A	37.8	Very low	39.2	Very low	29 Å²	29	100.7 Å²	100.7	24%	0.24	51%	0.505	C	S	.	.	H	α-helix	trans	-67.1	-45.1	174.7	0	0	0	0	0	111.7	L102 L103 I108 L109 E110	L102-A106 VanDerWaalsContact O-CB 3.23Å; L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 2.79Å; L103-A106 PolarHBondContact O-N 2.78Å; A106-I108 PolarHBondContact O-N 2.98Å; A106-I108 VanDerWaalsContact O-N 3.1Å; A106-L109 PolarHBondContact O-N 3.25Å; A106-E110 HydrophobicContact CB-CG 4.32Å; A106-E110 VanDerWaalsContact O-CB 3.3Å; A106-E110 WeakPolarHBondContact O-CB 3.2Å; A106-E110 PolarHBondContact O-N 3.28Å
107	E	42	Very low	39.2	Very low	145 Å²	145	97.1 Å²	97.1	68%	0.678	48%	0.479	S	S	*	.	H	α-helix	trans	-62.1	-19	177.2	-166.2	168.5	-128.3	0	0	112.9	L103 I111	L103-E107 WeakPolarHBondContact O-CB 3.17Å; L103-E107 PolarHBondContact O-N 3.44Å; E107-I111 WeakPolarHBondContact O-CD1 3.41Å
108	I	34.8	Very low	39.1	Very low	85 Å²	85	91.1 Å²	91.1	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-96.9	-46.3	174.9	-68.7	170.5	0	0	0	112.6	Y104 A105 A106	Y104-I108 HydrophobicContact CD1-CD1 3.94Å; Y104-I108 HydrophobicContact CD2-CD1 4.41Å; Y104-I108 HydrophobicContact CE1-CD1 3.61Å; Y104-I108 HydrophobicContact CE2-CD1 4.13Å; Y104-I108 HydrophobicContact CG-CD1 4.33Å; Y104-I108 WeakPolarHBondContact O-CD1 3.45Å; Y104-I108 VanDerWaalsContact O-CG1 3.29Å; Y104-I108 WeakPolarHBondContact O-CG1 3.49Å; Y104-I108 PolarHBondContact O-N 2.9Å; A105-I108 PolarHBondContact O-N 3.37Å; A106-I108 PolarHBondContact O-N 2.98Å; A106-I108 VanDerWaalsContact O-N 3.1Å
109	L	36.7	Very low	39.3	Very low	119 Å²	119	91.6 Å²	91.6	62%	0.623	46%	0.459	S	S	*	.	H	α-helix	trans	-85.7	-32.3	-171.7	-66.2	170.2	0	0	0	113.8	A105 A106 I111 Y113	A105-L109 HydrophobicContact CB-CD1 4.38Å; A105-L109 VanDerWaalsContact O-CB 3.22Å; A105-L109 WeakPolarHBondContact O-CB 3.44Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 3.47Å; A106-L109 PolarHBondContact O-N 3.25Å; L109-I111 VanDerWaalsContact C-N 3.27Å; L109-I111 PolarHBondContact O-N 3.39Å; L109-Y113 WeakPolarHBondContact O-CB 3.44Å; L109-Y113 PolarHBondContact O-N 2.94Å
110	E	45.3	Very low	39.6	Very low	77 Å²	77	93.7 Å²	93.7	36%	0.36	47%	0.466	S	S	.	.	H	α-helix	trans	-76.3	-12.7	-178.6	-63.6	-164.5	130.1	0	0	112.9	A106 L114	A106-E110 HydrophobicContact CB-CG 4.32Å; A106-E110 VanDerWaalsContact O-CB 3.3Å; A106-E110 WeakPolarHBondContact O-CB 3.2Å; A106-E110 PolarHBondContact O-N 3.28Å; E110-L114 HydrophobicContact CB-CD1 4.25Å; E110-L114 WeakPolarHBondContact O-CB 3.46Å; E110-L114 VanDerWaalsContact O-CD1 3.29Å; E110-L114 WeakPolarHBondContact O-CD1 3.1Å
111	I	40	Very low	39.7	Very low	90 Å²	90	92 Å²	92	46%	0.462	46%	0.456	S	S	.	.	H	α-helix	trans	-80.8	-56.6	174.5	-58.8	-177.3	0	0	0	110.5	E107 L109 Y113 E115	E107-I111 WeakPolarHBondContact O-CD1 3.41Å; L109-I111 VanDerWaalsContact C-N 3.27Å; L109-I111 PolarHBondContact O-N 3.39Å; I111-Y113 PolarHBondContact O-N 3.37Å; I111-E115 VanDerWaalsContact O-CB 3.24Å; I111-E115 WeakPolarHBondContact O-CB 3.38Å; I111-E115 PolarHBondContact O-N 3.04Å
112	E	36	Very low	39.7	Very low	152 Å²	152	90.5 Å²	90.5	71%	0.71	45%	0.448	S	S	*	.	H	α-helix	trans	-67.5	-38.1	-175.6	-64.3	-168.7	154.4	0	0	112.4	E116	E112-E116 WeakPolarHBondContact O-CB 3.41Å; E112-E116 PolarHBondContact O-N 3.04Å
113	Y	39.7	Very low	40.1	Very low	147 Å²	147	93.8 Å²	93.8	58%	0.576	46%	0.461	S	S	*	.	H	α-helix	trans	-72.2	-44.1	179.3	-173.6	-107	0	0	0	112.8	L109 I111 E116 Q117	L109-Y113 WeakPolarHBondContact O-CB 3.44Å; L109-Y113 PolarHBondContact O-N 2.94Å; I111-Y113 PolarHBondContact O-N 3.37Å; Y113-E116 PolarHBondContact O-N 3.49Å; Y113-Q117 HydrophobicContact CD1-CG 4.37Å; Y113-Q117 HydrophobicContact CE1-CG 3.99Å; Y113-Q117 HydrophobicContact CE2-CG 4.31Å; Y113-Q117 WeakPolarHBondContact O-CG 3.25Å; Y113-Q117 PolarHBondContact O-N 3.25Å
114	L	38	Very low	40.1	Very low	71 Å²	71	94.4 Å²	94.4	37%	0.372	47%	0.468	S	S	.	.	H	α-helix	trans	-68.7	-34.1	174.9	-85.2	79.8	0	0	0	111.7	M58 E110 Q117 C118	M58-L114 HydrophobicContact CE-CD2 4Å; E110-L114 HydrophobicContact CB-CD1 4.25Å; E110-L114 WeakPolarHBondContact O-CB 3.46Å; E110-L114 VanDerWaalsContact O-CD1 3.29Å; E110-L114 WeakPolarHBondContact O-CD1 3.1Å; L114-Q117 PolarHBondContact O-N 3.2Å; L114-C118 WeakPolarHBondContact O-CB 3.49Å; L114-C118 PolarHBondContact O-N 3.39Å; L114-C118 PolarHBondContact O-SG 3Å
115	E	40.4	Very low	40.2	Very low	76 Å²	76	91 Å²	91	36%	0.355	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-41.6	174	-174.8	151.3	-142.2	0	0	111.4	R65 I111 C118 L119	R65-E115 IonicContact CZ-OE1 3.13Å; R65-E115 VanDerWaalsContact CZ-OE1 3.27Å; R65-E115 IonicContact NH1-OE1 3.26Å; R65-E115 PolarHBondContact NH1-OE1 3.41Å; R65-E115 IonicContact NH2-OE1 2.68Å; R65-E115 PolarHBondContact NH2-OE1 2.65Å; I111-E115 VanDerWaalsContact O-CB 3.24Å; I111-E115 WeakPolarHBondContact O-CB 3.38Å; I111-E115 PolarHBondContact O-N 3.04Å; E115-C118 PolarHBondContact O-N 3.09Å; E115-L119 HydrophobicContact CG-CD1 3.88Å; E115-L119 HydrophobicContact CG-CG 4.32Å; E115-L119 VanDerWaalsContact O-CB 3.3Å; E115-L119 WeakPolarHBondContact O-CB 3.39Å; E115-L119 WeakPolarHBondContact O-CD1 3.15Å; E115-L119 WeakPolarHBondContact O-CG 3.48Å; E115-L119 PolarHBondContact O-N 3.02Å
116	E	43.8	Very low	40.4	Very low	96 Å²	96	95.7 Å²	95.7	45%	0.449	48%	0.475	S	S	.	.	H	α-helix	trans	-57.5	-48.1	170.6	-103.5	-131	138.9	0	0	113	E112 Y113 L119 K120	E112-E116 WeakPolarHBondContact O-CB 3.41Å; E112-E116 PolarHBondContact O-N 3.04Å; Y113-E116 PolarHBondContact O-N 3.49Å; E116-L119 PolarHBondContact O-N 3.19Å; E116-K120 WeakPolarHBondContact O-CG 3.12Å; E116-K120 PolarHBondContact O-N 3Å; E116-K120 IonicContact OE1-NZ 2.97Å; E116-K120 PolarHBondContact OE1-NZ 3.02Å; E116-K120 IonicContact OE2-NZ 3.27Å; E116-K120 PolarHBondContact OE2-NZ 3.32Å
117	Q	38.8	Very low	40.5	Very low	65 Å²	65	97.8 Å²	97.8	30%	0.304	49%	0.488	S	S	.	.	H	α-helix	trans	-69.8	-38.9	-178.6	-62.5	-48.4	-52.6	0	0	111.6	Y113 L114 L119 K120 I121	Y113-Q117 HydrophobicContact CD1-CG 4.37Å; Y113-Q117 HydrophobicContact CE1-CG 3.99Å; Y113-Q117 HydrophobicContact CE2-CG 4.31Å; Y113-Q117 WeakPolarHBondContact O-CG 3.25Å; Y113-Q117 PolarHBondContact O-N 3.25Å; L114-Q117 PolarHBondContact O-N 3.2Å; Q117-L119 VanDerWaalsContact C-N 3.35Å; Q117-K120 PolarHBondContact O-N 2.94Å; Q117-I121 WeakPolarHBondContact O-CB 3.4Å; Q117-I121 WeakPolarHBondContact O-CD1 3.48Å; Q117-I121 VanDerWaalsContact O-CG1 3.24Å; Q117-I121 WeakPolarHBondContact O-CG1 3.47Å; Q117-I121 PolarHBondContact O-N 2.94Å
118	C	38.4	Very low	40.4	Very low	61 Å²	61	94 Å²	94	41%	0.412	48%	0.478	S	S	.	.	H	α-helix	trans	-66.1	-36.9	175.4	-68.6	0	0	0	0	111.6	L114 E115 I121 L122	L114-C118 WeakPolarHBondContact O-CB 3.49Å; L114-C118 PolarHBondContact O-N 3.39Å; L114-C118 PolarHBondContact O-SG 3Å; E115-C118 PolarHBondContact O-N 3.09Å; C118-I121 PolarHBondContact O-N 3.11Å; C118-L122 WeakPolarHBondContact O-CB 3.5Å; C118-L122 VanDerWaalsContact O-CG 3.23Å; C118-L122 WeakPolarHBondContact O-CG 3.35Å; C118-L122 PolarHBondContact O-N 3.17Å
119	L	44.9	Very low	40.8	Very low	90 Å²	90	95.1 Å²	95.1	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-44.1	173.3	-74.3	168	0	0	0	111.6	E115 E116 Q117 I121 L122 E123	E115-L119 HydrophobicContact CG-CD1 3.88Å; E115-L119 HydrophobicContact CG-CG 4.32Å; E115-L119 VanDerWaalsContact O-CB 3.3Å; E115-L119 WeakPolarHBondContact O-CB 3.39Å; E115-L119 WeakPolarHBondContact O-CD1 3.15Å; E115-L119 WeakPolarHBondContact O-CG 3.48Å; E115-L119 PolarHBondContact O-N 3.02Å; E116-L119 PolarHBondContact O-N 3.19Å; Q117-L119 VanDerWaalsContact C-N 3.35Å; L119-I121 VanDerWaalsContact C-N 3.31Å; L119-I121 PolarHBondContact O-N 3.28Å; L119-L122 PolarHBondContact O-N 2.85Å; L119-E123 VanDerWaalsContact O-CB 3.32Å; L119-E123 WeakPolarHBondContact O-CB 3.35Å; L119-E123 PolarHBondContact O-N 3.19Å
120	K	44.1	Very low	40.8	Very low	91 Å²	91	98 Å²	98	40%	0.396	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-34.5	175.7	-73.2	163.3	-173.8	165.5	0	112.8	E116 Q117 T124	E116-K120 WeakPolarHBondContact O-CG 3.12Å; E116-K120 PolarHBondContact O-N 3Å; E116-K120 IonicContact OE1-NZ 2.97Å; E116-K120 PolarHBondContact OE1-NZ 3.02Å; E116-K120 IonicContact OE2-NZ 3.27Å; E116-K120 PolarHBondContact OE2-NZ 3.32Å; Q117-K120 PolarHBondContact O-N 2.94Å; K120-T124 PolarHBondContact O-N 3.09Å; K120-T124 VanDerWaalsContact O-N 3.15Å; K120-T124 PolarHBondContact O-OG1 3.35Å
121	I	40.7	Very low	40.9	Very low	95 Å²	95	100.5 Å²	100.5	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-70.7	-42.1	173.4	-70.2	164.8	0	0	0	111	Q117 C118 L119 T124 I125	Q117-I121 WeakPolarHBondContact O-CB 3.4Å; Q117-I121 WeakPolarHBondContact O-CD1 3.48Å; Q117-I121 VanDerWaalsContact O-CG1 3.24Å; Q117-I121 WeakPolarHBondContact O-CG1 3.47Å; Q117-I121 PolarHBondContact O-N 2.94Å; C118-I121 PolarHBondContact O-N 3.11Å; L119-I121 VanDerWaalsContact C-N 3.31Å; L119-I121 PolarHBondContact O-N 3.28Å; I121-T124 WeakPolarHBondContact CA-OG1 3.34Å; I121-T124 PolarHBondContact O-N 2.78Å; I121-T124 PolarHBondContact O-OG1 3.1Å; I121-T124 VanDerWaalsContact O-OG1 3.05Å; I121-I125 HydrophobicContact CG2-CD1 3.87Å; I121-I125 VanDerWaalsContact O-CG1 3.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.36Å; I121-I125 PolarHBondContact O-N 3.4Å
122	L	38.4	Very low	40.9	Very low	86 Å²	86	103.1 Å²	103.1	45%	0.45	53%	0.525	S	S	.	.	H	α-helix	trans	-66.7	-36.8	175.8	-73.4	166.6	0	0	0	112.4	C118 L119 T124 I125 Q126	C118-L122 WeakPolarHBondContact O-CB 3.5Å; C118-L122 VanDerWaalsContact O-CG 3.23Å; C118-L122 WeakPolarHBondContact O-CG 3.35Å; C118-L122 PolarHBondContact O-N 3.17Å; L119-L122 PolarHBondContact O-N 2.85Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-I125 PolarHBondContact O-N 3.43Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 WeakPolarHBondContact O-CG 3.49Å; L122-Q126 PolarHBondContact O-N 3.49Å
123	E	46.1	Very low	41.1	Very low	137 Å²	137	102.2 Å²	102.2	64%	0.64	53%	0.53	S	S	*	.	H	α-helix	trans	-68.5	-31.7	176.6	-168.5	169.4	-133	0	0	112.1	L119 S127	L119-E123 VanDerWaalsContact O-CB 3.32Å; L119-E123 WeakPolarHBondContact O-CB 3.35Å; L119-E123 PolarHBondContact O-N 3.19Å; E123-S127 PolarHBondContact O-N 3.09Å; E123-S127 PolarHBondContact O-OG 3.4Å
124	T	42.3	Very low	40.8	Very low	85 Å²	85	103.9 Å²	103.9	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-78.1	-29	171	37.5	0	0	0	0	113.7	K120 I121 L122 S127 S128	K120-T124 PolarHBondContact O-N 3.09Å; K120-T124 VanDerWaalsContact O-N 3.15Å; K120-T124 PolarHBondContact O-OG1 3.35Å; I121-T124 WeakPolarHBondContact CA-OG1 3.34Å; I121-T124 PolarHBondContact O-N 2.78Å; I121-T124 PolarHBondContact O-OG1 3.1Å; I121-T124 VanDerWaalsContact O-OG1 3.05Å; L122-T124 VanDerWaalsContact C-N 3.34Å; T124-S127 WeakPolarHBondContact CA-OG 3.46Å; T124-S127 PolarHBondContact O-OG 3.11Å; T124-S128 PolarHBondContact O-N 2.68Å; T124-S128 PolarHBondContact O-OG 3.04Å
125	I	40.9	Very low	40.7	Very low	75 Å²	75	107.2 Å²	107.2	39%	0.385	57%	0.566	S	S	.	*	H	α-helix	trans	-70.4	-48.1	170.9	-68.6	163.3	0	0	0	110.5	I121 L122 S127 S128 D129	I121-I125 HydrophobicContact CG2-CD1 3.87Å; I121-I125 VanDerWaalsContact O-CG1 3.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.36Å; I121-I125 PolarHBondContact O-N 3.4Å; L122-I125 PolarHBondContact O-N 3.43Å; I125-S127 VanDerWaalsContact C-N 3.26Å; I125-S127 PolarHBondContact O-N 2.81Å; I125-S128 WeakPolarHBondContact O-CA 3.45Å; I125-S128 VanDerWaalsContact O-CB 3.3Å; I125-S128 WeakPolarHBondContact O-CB 3.46Å; I125-S128 PolarHBondContact O-N 2.92Å; I125-D129 PolarHBondContact O-N 3.37Å
126	Q	39.2	Very low	40.4	Very low	137 Å²	137	109.2 Å²	109.2	64%	0.64	59%	0.588	S	S	*	*	H	α-helix	trans	-63.9	-28.1	180	-73.4	177.3	-7.6	0	0	113.5	L122	L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 WeakPolarHBondContact O-CG 3.49Å; L122-Q126 PolarHBondContact O-N 3.49Å
127	S	40.9	Very low	39.8	Very low	74 Å²	74	109.3 Å²	109.3	52%	0.517	61%	0.606	S	S	.	*	H	α-helix	trans	-84.6	-6.6	171.2	50.3	0	0	0	0	114.3	E123 T124 I125 N131	E123-S127 PolarHBondContact O-N 3.09Å; E123-S127 PolarHBondContact O-OG 3.4Å; T124-S127 WeakPolarHBondContact CA-OG 3.46Å; T124-S127 PolarHBondContact O-OG 3.11Å; I125-S127 VanDerWaalsContact C-N 3.26Å; I125-S127 PolarHBondContact O-N 2.81Å; S127-N131 PolarHBondContact O-ND2 2.88Å
128	S	40.1	Very low	39.4	Very low	66 Å²	66	113 Å²	113	46%	0.462	63%	0.627	S	S	.	*	H	α-helix	trans	-87.3	-46	168.3	-57.4	0	0	0	0	111.1	T124 I125 E130 N131	T124-S128 PolarHBondContact O-N 2.68Å; T124-S128 PolarHBondContact O-OG 3.04Å; I125-S128 WeakPolarHBondContact O-CA 3.45Å; I125-S128 VanDerWaalsContact O-CB 3.3Å; I125-S128 WeakPolarHBondContact O-CB 3.46Å; I125-S128 PolarHBondContact O-N 2.92Å; S128-E130 VanDerWaalsContact C-N 3.26Å; S128-E130 PolarHBondContact O-N 3.45Å; S128-E130 VanDerWaalsContact O-N 3.14Å; S128-N131 PolarHBondContact O-N 3.06Å; S128-N131 VanDerWaalsContact O-N 3.08Å
129	D	41.7	Very low	38.9	Very low	108 Å²	108	116.9 Å²	116.9	58%	0.578	64%	0.644	S	S	*	*	H	α-helix	trans	-63.8	-21	-171.1	-68.9	-22.3	0	0	0	114.8	I125 N131	I125-D129 PolarHBondContact O-N 3.37Å; D129-N131 PolarHBondContact O-N 2.95Å
130	E	37.1	Very low	38.1	Very low	180 Å²	180	114.9 Å²	114.9	84%	0.841	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-1	174.2	-69.8	-161.2	151.8	0	0	114.5	S128	S128-E130 VanDerWaalsContact C-N 3.26Å; S128-E130 PolarHBondContact O-N 3.45Å; S128-E130 VanDerWaalsContact O-N 3.14Å
131	N	46.8	Very low	37.2	Very low	128 Å²	128	115.9 Å²	115.9	68%	0.684	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-10.7	-176.1	-70.2	-85	0	0	0	116.1	S127 S128 D129	S127-N131 PolarHBondContact O-ND2 2.88Å; S128-N131 PolarHBondContact O-N 3.06Å; S128-N131 VanDerWaalsContact O-N 3.08Å; D129-N131 PolarHBondContact O-N 2.95Å
132	D	39.9	Very low	36.6	Very low	145 Å²	145	116.7 Å²	116.7	78%	0.775	67%	0.673	S	S	*	*	S	Bend	trans	-116.3	33.6	-166.1	-90.6	-48.4	0	0	0	115.8
133	V	42	Very low	36	Very low	133 Å²	133	120.8 Å²	120.8	81%	0.806	69%	0.69	S	S	*	*			trans	-141.3	122.6	160.9	-171.6	0	0	0	0	106.9
134	E	32.3	Very low	35.1	Very low	182 Å²	182	122.4 Å²	122.4	85%	0.85	70%	0.698	S	S	*	*			cis	-122.3	146.3	32.4	-62.5	176.3	144.1	0	0	114.9
135	V	36	Very low	34.2	Very low	142 Å²	142	125.3 Å²	125.3	86%	0.861	71%	0.71	S	S	*	*			trans	-87.8	129.2	167.6	172.4	0	0	0	0	110.3
136	S	33.1	Very low	33.6	Very low	117 Å²	117	128.6 Å²	128.6	82%	0.818	72%	0.724	S	S	*	*			trans	-71.5	143.5	-178.7	-45.1	0	0	0	0	114
137	A	31.2	Very low	33.1	Very low	99 Å²	99	127.9 Å²	127.9	82%	0.818	72%	0.72	S	S	*	*			trans	-143.4	125.2	159.3	0	0	0	0	0	111.5
138	N	31	Very low	32.5	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	73%	0.731	S	S	*	*			trans	-67.9	169.8	167.2	-99.3	38.5	0	0	0	110.8
139	D	28.6	Very low	31.8	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	75%	0.751	S	S	*	*			cis	-157.7	169.8	18.9	-139.7	-44.9	0	0	0	113.2
140	G	27.6	Very low	31	Very low	49 Å²	49	138.4 Å²	138.4	51%	0.505	76%	0.758	S	S	.	*			trans	84.7	96.6	135	0	0	0	0	0	121.6
141	S	25.8	Very low	30.5	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	76%	0.758	S	S	*	*				55.3	146.2	129.1	59.5	0	0	0	0	122
142	T	27.6	Very low	29.4	Very low	112 Å²	112	139.7 Å²	139.7	69%	0.687	77%	0.765	S	S	*	*			cis	-167.3	178.2	-13	24.1	0	0	0	0	106.8
143	E	25.8	Very low	28.6	Very low	173 Å²	173	136.3 Å²	136.3	81%	0.808	77%	0.765	S	S	*	*			trans	69.8	153.7	170.3	-60.5	164	-144	0	0	115.3
144	E	27.6	Very low	27.6	Very low	171 Å²	171	134.5 Å²	134.5	80%	0.799	76%	0.763	S	S	*	*			cis	-163.7	175.1	-45.9	-120.9	170.6	-168	0	0	107.2
145	D	23.8	Very low	27.2	Very low	146 Å²	146	135 Å²	135	78%	0.781	76%	0.763	S	S	*	*			trans	70.1	137	159.4	-80.2	-7	0	0	0	125.4
146	E	27.9	Very low	26.6	Very low	143 Å²	143	135.9 Å²	135.9	67%	0.668	76%	0.761	S	S	*	*			trans	74.8	95.3	135.4	-70.5	-71.3	89.2	0	0	125.2
147	E	27.7	Very low	26.1	Very low	123 Å²	123	134.2 Å²	134.2	58%	0.575	75%	0.75	S	S	*	*				81.5	155.3	113.4	-113.4	-149	148.1	0	0	125.3
148	R	28.1	Very low	25.7	Very low	196 Å²	196	138.4 Å²	138.4	74%	0.74	75%	0.749	S	S	*	*			trans	77.8	98.6	157.6	-71.3	173.2	-161.5	161.3	24.5	122.5
149	K	26	Very low	25.3	Very low	201 Å²	201	139.7 Å²	139.7	87%	0.874	75%	0.748	S	S	*	*				10.7	111.9	113	-65.3	171.6	178.9	164.7	0	117.2
150	G	24.8	Very low	25.1	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	75%	0.745	S	S	*	*				70.5	134.6	92.9	0	0	0	0	0	121.8
151	Q	26.5	Very low	24.8	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	75%	0.754	S	S	*	*			trans	79.7	134.1	151.3	-61.1	-171.4	-6.7	0	0	122.1
152	N	23.2	Very low	24.7	Very low	155 Å²	155	144 Å²	144	83%	0.829	75%	0.75	S	S	*	*			trans	77	148.6	149.8	-59.2	-31.2	0	0	0	120.7
153	G	23.1	Very low	24.5	Very low	75 Å²	75	146.4 Å²	146.4	77%	0.773	75%	0.754	S	S	*	*			trans	97.8	111.9	179.6	0	0	0	0	0	112.9
154	A	22.3	Very low	24.4	Very low	94 Å²	94	142.9 Å²	142.9	78%	0.777	75%	0.748	S	S	*	*			cis	87.8	113.2	8.9	0	0	0	0	0	118.7
155	K	22.6	Very low	24.3	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	75%	0.745	S	S	*	*			trans	95.5	152.6	155.2	-59.3	178.1	176.5	174	0	120
156	I	24	Very low	24.2	Very low	160 Å²	160	141.7 Å²	141.7	82%	0.821	74%	0.743	S	S	*	*			trans	80.5	124.8	165.6	-64	155.5	0	0	0	114.9
157	S	23.3	Very low	24.1	Very low	82 Å²	82	142.1 Å²	142.1	57%	0.573	75%	0.749	S	S	*	*			cis	-166	147.1	-5.2	-114.4	0	0	0	0	114.3
158	K	23.6	Very low	24	Very low	187 Å²	187	141.6 Å²	141.6	81%	0.813	76%	0.759	S	S	*	*			trans	69.3	150.9	150.1	-63.3	167.3	-174.3	170.9	0	117
159	K	22.3	Very low	23.9	Very low	167 Å²	167	135.3 Å²	135.3	73%	0.726	76%	0.755	S	S	*	*			cis	-160.1	165.9	2.9	-137	-174.9	172.3	-159.6	0	112.5
160	H	23.1	Very low	23.8	Very low	154 Å²	154	131.5 Å²	131.5	71%	0.713	75%	0.748	S	S	*	*			trans	69.3	131.4	176.1	-68.1	-84.1	0	0	0	115.9
161	S	22	Very low	23.9	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	75%	0.749	S	S	*	*			cis	98.1	132.6	45	-150	0	0	0	0	109.7
162	M	24.6	Very low	23.8	Very low	142 Å²	142	135.4 Å²	135.4	70%	0.7	75%	0.748	S	S	*	*			cis	-156.5	151.9	22	-160.2	156.1	166.9	0	0	112.1
163	E	22.6	Very low	23.7	Very low	164 Å²	164	132.2 Å²	132.2	77%	0.766	74%	0.743	S	S	*	*			trans	36.7	135.8	154.9	-71.6	161.7	-161	0	0	122
164	S	24.2	Very low	24.5	Very low	99 Å²	99	134.2 Å²	134.2	69%	0.692	74%	0.743	S	S	*	*			cis	-142.9	-138.5	7.2	-149.2	0	0	0	0	111.6
165	S	24	Very low	24.8	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	74%	0.737	S	S	*	*			cis	-156.3	-168.5	12.5	-160.5	0	0	0	0	112.5
166	Y	23.4	Very low	24.9	Very low	187 Å²	187	133.5 Å²	133.5	73%	0.733	73%	0.732	S	S	*	*			trans	-82.7	131.6	-166.4	-56.6	-70.6	0	0	0	116.2
167	L	25.5	Very low	25	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	73%	0.732	S	S	*	*				65.2	140	101.7	-57.4	173.2	0	0	0	116.1
168	S	25.6	Very low	25.2	Very low	113 Å²	113	131.1 Å²	131.1	79%	0.79	74%	0.741	S	S	*	*			cis	-167.4	165.7	-7.2	-88.4	0	0	0	0	107.9
169	G	25	Very low	25.4	Very low	63 Å²	63	129 Å²	129	65%	0.649	74%	0.743	S	S	*	*			cis	171.3	175.1	-3.1	0	0	0	0	0	112.6
170	T	24.7	Very low	25.9	Very low	121 Å²	121	127 Å²	127	74%	0.742	74%	0.744	S	S	*	*			trans	59.5	110.3	164.5	50.8	0	0	0	0	121.3
171	Q	26.7	Very low	26	Very low	159 Å²	159	125.7 Å²	125.7	74%	0.743	74%	0.743	S	S	*	*				88	146.1	107	-70.8	176.3	15.4	0	0	115
172	Q	23.9	Very low	26.1	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.813	75%	0.745	S	S	*	*			cis	-153.5	170.2	4.8	-127.9	164.2	14	0	0	111.7
173	A	22.2	Very low	26.2	Very low	89 Å²	89	126.7 Å²	126.7	74%	0.736	75%	0.747	S	S	*	*			trans	-141.7	-165	177.8	0	0	0	0	0	109.2
174	P	39.3	Very low	27.1	Very low	117 Å²	117	124.1 Å²	124.1	76%	0.76	74%	0.744	S	S	*	*			cis	-122.2	-136.8	-10.1	26.8	0.8	0	0	0	111.1
175	N	29.2	Very low	27.1	Very low	123 Å²	123	124.5 Å²	124.5	66%	0.658	75%	0.747	S	S	*	*			cis	-168	176.4	6.4	-153.5	3.8	0	0	0	113.9
176	M	24.3	Very low	27	Very low	150 Å²	150	126 Å²	126	74%	0.739	75%	0.751	S	S	*	*			trans	75.3	135.3	166.4	-50.4	-47.6	-162.3	0	0	118.5
177	S	26	Very low	27.1	Very low	119 Å²	119	122.5 Å²	122.5	83%	0.832	75%	0.754	S	S	*	*			cis	92.7	133.8	24.4	-56	0	0	0	0	114.7
178	G	26.1	Very low	27	Very low	73 Å²	73	122.4 Å²	122.4	75%	0.753	76%	0.76	S	S	*	*			cis	-152.9	-142.5	-1.2	0	0	0	0	0	111
179	V	29.4	Very low	26.9	Very low	141 Å²	141	122 Å²	122	86%	0.855	76%	0.757	S	S	*	*			cis	-158.7	160.9	3.4	-178.4	0	0	0	0	111.4
180	V	31.6	Very low	26.7	Very low	125 Å²	125	129.2 Å²	129.2	76%	0.758	77%	0.771	S	S	*	*			trans	-43.2	159.4	169.5	-161	0	0	0	0	117
181	D	25.7	Very low	26.6	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	77%	0.773	S	S	*	*				-169.7	-169.4	51.6	-148.3	-1.7	0	0	0	111.9
182	Q	24.5	Very low	26.5	Very low	157 Å²	157	128.3 Å²	128.3	73%	0.734	77%	0.771	S	S	*	*			cis	-161	-170	2.5	-153.2	171.3	88	0	0	112.1
183	S	25.7	Very low	26.5	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	77%	0.768	S	S	*	*			trans	-164	-163.4	176.7	-70.6	0	0	0	0	111
184	P	41.3	Very low	26.7	Very low	110 Å²	110	128.3 Å²	128.3	71%	0.714	77%	0.772	S	S	*	*			cis	-145.8	178	-5.6	44.2	-24.2	0	0	0	119.6
185	S	25.7	Very low	26.1	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	78%	0.779	S	S	*	*			trans	71.8	156.8	141.8	73.6	0	0	0	0	126.5
186	V	21.8	Very low	26.1	Very low	135 Å²	135	129.2 Å²	129.2	82%	0.818	78%	0.777	S	S	*	*			trans	162.6	158.5	131.9	158.3	0	0	0	0	114.4
187	S	24.8	Very low	26.5	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	78%	0.776	S	S	*	*			trans	-139.5	177.3	-172.8	-44.6	0	0	0	0	114.3
188	T	23	Very low	27.3	Very low	150 Å²	150	126.8 Å²	126.8	92%	0.92	77%	0.768	S	S	*	*			trans	-163.8	168.7	164.9	-5.7	0	0	0	0	114.3
189	S	24	Very low	27.9	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	76%	0.764	S	S	*	*			trans	-149.6	168.3	-164.2	58.4	0	0	0	0	115.4
190	F	20.8	Very low	28.2	Very low	214 Å²	214	127.4 Å²	127.4	94%	0.939	75%	0.751	S	S	*	*			trans	-159	174.1	158.3	-110.6	-73	0	0	0	112.2
191	N	23.1	Very low	28.4	Very low	148 Å²	148	124.2 Å²	124.2	79%	0.791	74%	0.738	S	S	*	*			trans	-150	174.4	-147.2	-159.3	-1.5	0	0	0	116.5
192	V	24.9	Very low	29.1	Very low	114 Å²	114	122.6 Å²	122.6	69%	0.691	73%	0.732	S	S	*	*			trans	82.6	112.3	159.4	-149.2	0	0	0	0	121
193	S	23.9	Very low	29.6	Very low	108 Å²	108	120.1 Å²	120.1	76%	0.755	72%	0.724	S	S	*	*				154.3	111.7	121.8	-67.7	0	0	0	0	117.1
194	N	25.7	Very low	30.2	Very low	154 Å²	154	118.9 Å²	118.9	82%	0.824	72%	0.715	S	S	*	*			trans	20.2	114.4	150.3	-59.3	-8.1	0	0	0	122.7
195	L	26.3	Very low	30	Very low	171 Å²	171	119.8 Å²	119.8	90%	0.895	71%	0.714	S	S	*	*				174	150.1	111.5	-94.2	164.1	0	0	0	111.8
196	S	29.2	Very low	30.7	Very low	88 Å²	88	121 Å²	121	62%	0.615	71%	0.709	S	S	*	*			trans	-87.2	121.7	-172.6	55.9	0	0	0	0	114	T198	S196-T198 VanDerWaalsContact C-N 3.35Å; S196-T198 PolarHBondContact O-N 2.78Å
197	P	32.2	Very low	31.5	Very low	110 Å²	110	118.3 Å²	118.3	71%	0.714	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	1.4	-175	32.6	-35.9	0	0	0	115.6	K199	P197-K199 VanDerWaalsContact C-N 3.28Å; P197-K199 PolarHBondContact O-N 3.06Å
198	T	43.3	Very low	32.1	Very low	109 Å²	109	118.7 Å²	118.7	67%	0.669	69%	0.688	S	S	*	*	H	α-helix	trans	-69.1	-17.7	-175.4	47	0	0	0	0	114.8	S196	S196-T198 VanDerWaalsContact C-N 3.35Å; S196-T198 PolarHBondContact O-N 2.78Å
199	K	38	Very low	32.8	Very low	157 Å²	157	114 Å²	114	68%	0.683	67%	0.67	S	S	*	*	H	α-helix	trans	-81	-36.3	179.9	-165.8	168.6	-177.4	177	0	113.7	P197 A201 V202	P197-K199 VanDerWaalsContact C-N 3.28Å; P197-K199 PolarHBondContact O-N 3.06Å; K199-A201 VanDerWaalsContact C-N 3.34Å; K199-A201 PolarHBondContact O-N 3.06Å; K199-V202 PolarHBondContact O-N 2.82Å
200	A	36.5	Very low	33.5	Very low	69 Å²	69	116.2 Å²	116.2	57%	0.57	67%	0.669	S	S	*	*	H	α-helix	trans	-71.1	-27.6	-176.5	0	0	0	0	0	113.6	S204	A200-S204 PolarHBondContact O-N 2.58Å; A200-S204 PolarHBondContact O-OG 3.15Å
201	A	35	Very low	34.4	Very low	58 Å²	58	110.8 Å²	110.8	48%	0.479	66%	0.657	S	S	.	*	H	α-helix	trans	-68.7	-37	177.7	0	0	0	0	0	112.7	K199	K199-A201 VanDerWaalsContact C-N 3.34Å; K199-A201 PolarHBondContact O-N 3.06Å
202	V	40.9	Very low	34.9	Very low	93 Å²	93	111 Å²	111	56%	0.564	66%	0.657	S	S	*	*	H	α-helix	trans	-72.5	-45.9	-177	-179.4	0	0	0	0	111.3	K199 S204 L205 M206	K199-V202 PolarHBondContact O-N 2.82Å; V202-S204 PolarHBondContact O-N 3.2Å; V202-L205 PolarHBondContact O-N 3.07Å; V202-L205 VanDerWaalsContact O-N 3.14Å; V202-M206 PolarHBondContact O-N 3.01Å
203	D	35.6	Very low	35.5	Very low	106 Å²	106	113 Å²	113	57%	0.567	66%	0.663	S	S	*	*	H	α-helix	trans	-63.5	-26.6	178.3	-68.5	-28.1	0	0	0	112.1
204	S	38.6	Very low	36.2	Very low	77 Å²	77	116.1 Å²	116.1	54%	0.538	67%	0.666	S	S	.	*	H	α-helix	trans	-70.2	-33	175.6	-60	0	0	0	0	113.4	A200 V202	A200-S204 PolarHBondContact O-N 2.58Å; A200-S204 PolarHBondContact O-OG 3.15Å; V202-S204 PolarHBondContact O-N 3.2Å
205	L	35.7	Very low	36.4	Very low	130 Å²	130	118.3 Å²	118.3	68%	0.681	67%	0.671	S	S	*	*	H	α-helix	trans	-79.3	-32.1	-177.9	-74.3	167.3	0	0	0	112.9	V202 S207 I208	V202-L205 PolarHBondContact O-N 3.07Å; V202-L205 VanDerWaalsContact O-N 3.14Å; L205-S207 PolarHBondContact O-N 2.85Å; L205-I208 PolarHBondContact O-N 3.07Å
206	M	40.8	Very low	36.5	Very low	131 Å²	131	113.8 Å²	113.8	65%	0.645	67%	0.666	S	S	*	*	H	α-helix	trans	-65.5	-25.9	173.7	-81.9	-69.8	-73.7	0	0	113.1	V202 I208	V202-M206 PolarHBondContact O-N 3.01Å; M206-I208 VanDerWaalsContact C-N 3.31Å; M206-I208 PolarHBondContact O-N 3.03Å
207	S	38.3	Very low	36.4	Very low	80 Å²	80	120.5 Å²	120.5	56%	0.559	68%	0.684	S	S	*	*	H	α-helix	trans	-70.8	-22.5	180	-168.5	0	0	0	0	114.1	L205	L205-S207 PolarHBondContact O-N 2.85Å
208	I	38.7	Very low	36	Very low	120 Å²	120	120.4 Å²	120.4	62%	0.615	69%	0.692	S	S	*	*	H	α-helix	trans	-84.3	-34.3	-176.7	-61.2	177.3	0	0	0	111	L205 M206 Q210	L205-I208 PolarHBondContact O-N 3.07Å; M206-I208 VanDerWaalsContact C-N 3.31Å; M206-I208 PolarHBondContact O-N 3.03Å; I208-Q210 VanDerWaalsContact C-N 3.35Å; I208-Q210 PolarHBondContact O-N 2.87Å
209	G	36.6	Very low	35.1	Very low	52 Å²	52	119.1 Å²	119.1	54%	0.536	70%	0.701	S	S	.	*	H	α-helix	trans	-67.1	-28.5	-178.9	0	0	0	0	0	114.8
210	Q	39.9	Very low	34.5	Very low	152 Å²	152	119.5 Å²	119.5	71%	0.71	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-83.1	-9.9	-176.6	-72.2	-172.5	-29.4	0	0	114.6	I208	I208-Q210 VanDerWaalsContact C-N 3.35Å; I208-Q210 PolarHBondContact O-N 2.87Å
211	S	38.6	Very low	34	Very low	99 Å²	99	123.2 Å²	123.2	69%	0.692	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-83.3	-8.9	-179.7	-58.6	0	0	0	0	115.1
212	L	34.4	Very low	33.5	Very low	153 Å²	153	127 Å²	127	80%	0.801	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-107.3	3.9	-175.6	-74.6	169.7	0	0	0	115
213	L	36.3	Very low	32.7	Very low	155 Å²	155	130.9 Å²	130.9	81%	0.812	74%	0.738	S	S	*	*	S	Bend	trans	-120.6	18.4	-177.5	-74.5	172.2	0	0	0	114.5
214	Q	38.6	Very low	32.1	Very low	175 Å²	175	133.9 Å²	133.9	82%	0.818	75%	0.748	S	S	*	*			trans	-131.5	24.9	-175.1	-155.9	105.2	102.9	0	0	115.3
215	Q	31.3	Very low	31.3	Very low	200 Å²	200	133.9 Å²	133.9	94%	0.935	75%	0.753	S	S	*	*	S	Bend	trans	-146.8	117.8	162.6	-68.9	-175.1	8	0	0	109.4
216	G	27.1	Very low	30.8	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	76%	0.761	S	S	*	*			cis	-176.4	129.2	-12.7	0	0	0	0	0	111
217	F	27.3	Very low	30	Very low	230 Å²	230	132.8 Å²	132.8	100%	1.009	76%	0.757	S	S	*	*			trans	-91.8	108.5	174.3	-92.5	-83.2	0	0	0	110.8
218	A	25.1	Very low	29.3	Very low	107 Å²	107	136.2 Å²	136.2	88%	0.884	76%	0.764	S	S	*	*			trans	-161.7	124.8	162	0	0	0	0	0	110.2
219	G	24.7	Very low	28.6	Very low	83 Å²	83	137.5 Å²	137.5	86%	0.856	77%	0.767	S	S	*	*			trans	157	115.2	178.4	0	0	0	0	0	112.1
220	E	25.2	Very low	28	Very low	165 Å²	165	141.5 Å²	141.5	77%	0.771	78%	0.775	S	S	*	*			trans	-110.3	151.5	-169.6	-94.7	-168.4	89.8	0	0	114.4
221	Q	24.8	Very low	27.2	Very low	146 Å²	146	141.4 Å²	141.4	68%	0.682	78%	0.777	S	S	*	*			trans	73.2	130.5	144.6	-74.5	-179.6	45.2	0	0	122.8
222	L	24.4	Very low	26.5	Very low	138 Å²	138	141.3 Å²	141.3	72%	0.723	78%	0.776	S	S	*	*			trans	68.5	122.5	138.9	-65.7	167.2	0	0	0	121.5
223	I	24.7	Very low	26.1	Very low	174 Å²	174	141 Å²	141	89%	0.892	77%	0.771	S	S	*	*				-164	178.1	109.4	-99.1	164.3	0	0	0	110.3
224	H	22.9	Very low	25.5	Very low	169 Å²	169	140.2 Å²	140.2	78%	0.782	77%	0.766	S	S	*	*			trans	-119.2	166.6	-150.2	-136.4	61	0	0	0	114.7
225	A	22.6	Very low	24.7	Very low	78 Å²	78	140.8 Å²	140.8	65%	0.645	77%	0.766	S	S	*	*			trans	67.9	157.6	157.8	0	0	0	0	0	117.9
226	N	23.8	Very low	24.3	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	75%	0.754	S	S	*	*			cis	-168.5	174.8	-10.2	-105.2	-0.4	0	0	0	107.7
227	S	24.7	Very low	24.1	Very low	81 Å²	81	141.7 Å²	141.7	57%	0.566	76%	0.757	S	S	*	*			cis	-178.7	168.9	-28.5	-177.2	0	0	0	0	108.2
228	H	24.3	Very low	23.9	Very low	153 Å²	153	137.5 Å²	137.5	71%	0.708	75%	0.745	S	S	*	*			trans	66.6	152.6	-176.8	-59.1	-95.8	0	0	0	114
229	H	24.3	Very low	23.7	Very low	147 Å²	147	139.3 Å²	139.3	68%	0.681	74%	0.737	S	S	*	*			cis	-165.4	168.2	1.2	-118.9	-172.5	0	0	0	108.4
230	L	23.3	Very low	23.6	Very low	135 Å²	135	142.4 Å²	142.4	71%	0.707	73%	0.729	S	S	*	*			cis	-157	167.6	-3.5	-174	53.2	0	0	0	110.5
231	M	22.7	Very low	23.5	Very low	151 Å²	151	140.5 Å²	140.5	74%	0.744	73%	0.729	S	S	*	*			trans	-57.1	179.6	156.9	-62.6	-74.2	-178.4	0	0	113.5
232	S	24.5	Very low	23.4	Very low	97 Å²	97	140.1 Å²	140.1	68%	0.678	73%	0.731	S	S	*	*			cis	-167.7	170.3	6.3	13.1	0	0	0	0	109
233	E	24.7	Very low	23.3	Very low	147 Å²	147	142.3 Å²	142.3	69%	0.687	74%	0.74	S	S	*	*			cis	-167.8	158.2	-19.6	-105.1	171.4	105.7	0	0	110.5
234	I	23.7	Very low	23.2	Very low	137 Å²	137	137.9 Å²	137.9	70%	0.703	74%	0.738	S	S	*	*			trans	34	124.4	140	-56.7	169.6	0	0	0	120.4
235	K	23.1	Very low	23.3	Very low	188 Å²	188	133.3 Å²	133.3	82%	0.817	74%	0.736	S	S	*	*				-165.9	149.4	105	-146.9	161.4	-177.4	-179.2	0	116.3
236	T	23	Very low	23.3	Very low	112 Å²	112	138.1 Å²	138.1	69%	0.687	75%	0.751	S	S	*	*			trans	-110.1	156.1	176	49	0	0	0	0	112
237	E	22.7	Very low	23.3	Very low	182 Å²	182	133.5 Å²	133.5	85%	0.85	74%	0.741	S	S	*	*				-177.7	-171.8	126.6	-99.9	162.6	-158.7	0	0	112.3
238	N	22.1	Very low	23.3	Very low	141 Å²	141	138 Å²	138	75%	0.754	75%	0.752	S	S	*	*			trans	-148	169.4	-139.4	-160	11.1	0	0	0	114.2
239	M	21.1	Very low	23.2	Very low	146 Å²	146	138.7 Å²	138.7	72%	0.719	76%	0.756	S	S	*	*			trans	71.2	160.5	161.1	-66.3	162.8	77	0	0	118.9
240	Q	23.2	Very low	23.1	Very low	147 Å²	147	136.7 Å²	136.7	69%	0.687	76%	0.758	S	S	*	*			cis	-178.7	133.1	-24.9	173	160.4	7.6	0	0	112.7
241	V	23.2	Very low	23.7	Very low	125 Å²	125	135.1 Å²	135.1	76%	0.758	76%	0.756	S	S	*	*			trans	53	173.3	173.9	-96.5	0	0	0	0	118.8
242	D	21.6	Very low	23.8	Very low	138 Å²	138	136.8 Å²	136.8	74%	0.738	76%	0.759	S	S	*	*			cis	-149.5	-167	16.6	-142.8	-27	0	0	0	116
243	M	23.2	Very low	23.7	Very low	184 Å²	184	137.8 Å²	137.8	91%	0.906	76%	0.757	S	S	*	*			trans	-83.1	163.8	-160.7	-61.3	-127.6	-160.6	0	0	121.2
244	G	23.3	Very low	23.7	Very low	82 Å²	82	136.9 Å²	136.9	85%	0.845	75%	0.754	S	S	*	*			trans	121.8	146.8	146	0	0	0	0	0	116.6
245	G	23.7	Very low	23.6	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	75%	0.754	S	S	*	*			cis	166	144.6	-10	0	0	0	0	0	113.9
246	N	23.3	Very low	23.7	Very low	179 Å²	179	133.2 Å²	133.2	96%	0.957	75%	0.748	S	S	*	*			trans	62	155.5	174.2	-68.7	-6	0	0	0	118.9
247	G	24.3	Very low	23.8	Very low	60 Å²	60	133.1 Å²	133.1	62%	0.619	75%	0.752	S	S	*	*			cis	162.6	162.8	-9.7	0	0	0	0	0	114.1
248	H	23.3	Very low	23.8	Very low	174 Å²	174	128.8 Å²	128.8	81%	0.806	75%	0.747	S	S	*	*			trans	64.3	154.8	173.1	-74.6	-117.3	0	0	0	116.4
249	E	22.6	Very low	23.9	Very low	168 Å²	168	127.7 Å²	127.7	79%	0.785	75%	0.751	S	S	*	*			cis	-149.3	173.5	1.6	-144.2	149.5	-138.6	0	0	112.5
250	S	22.5	Very low	24.2	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	75%	0.748	S	S	*	*			trans	-110.7	171.8	168.5	-40.7	0	0	0	0	109.8
251	P	35	Very low	24.2	Very low	102 Å²	102	125.8 Å²	125.8	66%	0.662	76%	0.756	S	S	*	*				-165.4	163.5	74.5	43	-21.1	0	0	0	120.4
252	K	25.4	Very low	24.3	Very low	187 Å²	187	122.7 Å²	122.7	81%	0.813	75%	0.749	S	S	*	*			trans	66.4	164.5	145.4	-70.1	164.5	-171.7	172.9	0	118
253	N	23.2	Very low	24.5	Very low	117 Å²	117	123.1 Å²	123.1	63%	0.626	75%	0.747	S	S	*	*			cis	-152.4	166.5	2.8	-135.8	20.5	0	0	0	114.3
254	M	23.3	Very low	24.8	Very low	128 Å²	128	124.3 Å²	124.3	63%	0.631	74%	0.741	S	S	*	*			trans	10.6	151.3	136	-66.1	161.2	69.9	0	0	120.3
255	E	22.7	Very low	25	Very low	151 Å²	151	125.7 Å²	125.7	71%	0.706	74%	0.738	S	S	*	*			cis	-168.3	-179.4	12.1	-125.6	175	160.4	0	0	115.1
256	S	24.3	Very low	25	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	73%	0.734	S	S	*	*			trans	7.4	160.1	145.3	-53.2	0	0	0	0	121.8
257	S	25.2	Very low	25.3	Very low	111 Å²	111	125.8 Å²	125.8	78%	0.776	73%	0.73	S	S	*	*			cis	-163.2	156.2	17.7	6.1	0	0	0	0	108.6
258	A	23.9	Very low	25.3	Very low	90 Å²	90	128.6 Å²	128.6	74%	0.744	73%	0.731	S	S	*	*			cis	99.4	157.2	35.4	0	0	0	0	0	114.5
259	S	24	Very low	25.6	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	73%	0.729	S	S	*	*			trans	73.9	150.5	-177	-64.1	0	0	0	0	116.5
260	S	26.8	Very low	25.8	Very low	96 Å²	96	129 Å²	129	67%	0.671	73%	0.729	S	S	*	*			cis	-177.2	160.4	-9.5	47.3	0	0	0	0	107.8
261	N	24	Very low	26	Very low	157 Å²	157	134.5 Å²	134.5	84%	0.84	73%	0.734	S	S	*	*			cis	-164.3	174.2	-9.4	-99.6	8.3	0	0	0	106.3
262	G	25.7	Very low	25.5	Very low	60 Å²	60	135.5 Å²	135.5	62%	0.619	73%	0.734	S	S	*	*			cis	176	-173.2	-1.6	0	0	0	0	0	111.5
263	E	25.9	Very low	25.5	Very low	147 Å²	147	130.2 Å²	130.2	69%	0.687	73%	0.732	S	S	*	*			trans	56.1	137.3	139	-57.8	-149.5	116.2	0	0	121.1
264	R	28.4	Very low	25.8	Very low	209 Å²	209	130.7 Å²	130.7	79%	0.789	74%	0.742	S	S	*	*			cis	-158.3	169.4	2.7	-100.3	162.3	-163.1	-178.4	14.5	106.8
265	S	27.2	Very low	25.8	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	75%	0.751	S	S	*	*			cis	-139.4	167.2	0	57.6	0	0	0	0	108
266	G	25.1	Very low	25.9	Very low	64 Å²	64	127.6 Å²	127.6	66%	0.66	76%	0.757	S	S	*	*			cis	78.8	122	45.8	0	0	0	0	0	109.6
267	E	27.7	Very low	26.1	Very low	188 Å²	188	128.8 Å²	128.8	88%	0.879	76%	0.762	S	S	*	*			cis	-151.5	176.3	13.6	-66.2	178.9	115.8	0	0	110.3
268	D	26.1	Very low	26.2	Very low	119 Å²	119	130 Å²	130	64%	0.636	77%	0.765	S	S	*	*			cis	-172.7	170.7	-40.7	-177.8	30.9	0	0	0	109.2
269	R	29	Very low	26.2	Very low	202 Å²	202	134.6 Å²	134.6	76%	0.762	76%	0.763	S	S	*	*			trans	89.3	87.7	159.3	-51.6	-172.9	-177.4	177.8	3.5	121.1
270	N	25.7	Very low	26.2	Very low	149 Å²	149	134.4 Å²	134.4	80%	0.797	76%	0.762	S	S	*	*				34.6	136.6	112.7	-64.9	-19.1	0	0	0	120.8
271	R	27.7	Very low	26.2	Very low	221 Å²	221	133.6 Å²	133.6	83%	0.834	76%	0.756	S	S	*	*				-169.1	127.3	85.2	-161.8	162.6	-171.6	175.1	3	117.1
272	D	24.3	Very low	26.3	Very low	122 Å²	122	132 Å²	132	65%	0.652	75%	0.752	S	S	*	*			trans	39.2	88.9	148.2	-46.7	-19.9	0	0	0	123.7
273	G	24.6	Very low	26.2	Very low	76 Å²	76	134.8 Å²	134.8	78%	0.784	75%	0.751	S	S	*	*				58.4	-173	125.5	0	0	0	0	0	122.7
274	P	29.5	Very low	26.2	Very low	128 Å²	128	134 Å²	134	83%	0.831	76%	0.757	S	S	*	*			cis	-112.7	157.1	-12.9	39.3	-28.3	0	0	0	113.6
275	G	23.8	Very low	26.1	Very low	80 Å²	80	129.7 Å²	129.7	83%	0.825	76%	0.759	S	S	*	*			trans	-97	145.5	172.4	0	0	0	0	0	113.2
276	T	25.7	Very low	25.9	Very low	134 Å²	134	128.4 Å²	128.4	82%	0.822	76%	0.755	S	S	*	*			trans	-117.5	144.8	175.8	54.2	0	0	0	0	112.2
277	P	27.6	Very low	25.9	Very low	122 Å²	122	135.4 Å²	135.4	79%	0.792	76%	0.762	S	S	*	*			trans	-86	148.2	-155.5	32.6	-37.4	0	0	0	115.7	R279	P277-R279 PolarHBondContact O-N 3.35Å
278	T	26.9	Very low	25.8	Very low	137 Å²	137	132.3 Å²	132.3	84%	0.84	75%	0.747	S	S	*	*			trans	-73.1	105.6	167	48.7	0	0	0	0	110.8	S280	T278-S280 PolarHBondContact O-N 2.93Å; T278-S280 VanDerWaalsContact O-N 3.09Å
279	R	24.1	Very low	25.6	Very low	185 Å²	185	132.7 Å²	132.7	70%	0.698	75%	0.748	S	S	*	*			trans	-59.2	103.1	-178.6	-174.9	-179.7	-178	-172.4	1.6	112.8	P277 Y660	P277-R279 PolarHBondContact O-N 3.35Å; R279-Y660 VanDerWaalsContact NH2-CE2 3.34Å; R279-Y660 PolarHBondContact NH2-OH 3.2Å
280	S	25.1	Very low	25.4	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	76%	0.756	S	S	*	*			trans	-133.5	77	169.5	64.3	0	0	0	0	111.4	T278	T278-S280 PolarHBondContact O-N 2.93Å; T278-S280 VanDerWaalsContact O-N 3.09Å
281	S	25.8	Very low	25.1	Very low	79 Å²	79	135.6 Å²	135.6	55%	0.552	76%	0.758	S	S	*	*			trans	-139.6	112.7	171.4	44.5	0	0	0	0	109.5
282	V	26.1	Very low	25	Very low	124 Å²	124	131.5 Å²	131.5	75%	0.752	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-90.6	137.1	155.2	175	0	0	0	0	105.7
283	I	24.5	Very low	25	Very low	117 Å²	117	135 Å²	135	60%	0.6	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-91.3	128.3	-170.2	-67.4	169.4	0	0	0	109.1
284	T	25.8	Very low	24.9	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-77.8	137.3	161.8	47.7	0	0	0	0	109.2
285	S	25.1	Very low	24.6	Very low	118 Å²	118	138.1 Å²	138.1	83%	0.825	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-64.8	133.1	178.8	55.7	0	0	0	0	112.6
286	A	22.9	Very low	24.6	Very low	84 Å²	84	137.2 Å²	137.2	69%	0.694	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-67.2	165.5	151.1	0	0	0	0	0	109.1
287	R	26.1	Very low	24.5	Very low	211 Å²	211	139.9 Å²	139.9	80%	0.796	75%	0.749	S	S	*	*			cis	-158.7	170.7	11.6	-137.2	164.5	163.6	-155.5	-26.5	107.1
288	E	24.6	Very low	24.4	Very low	122 Å²	122	137.8 Å²	137.8	57%	0.57	75%	0.749	S	S	*	*			cis	-144.5	172.4	12.5	-173.1	79.8	-91.3	0	0	109.9
289	L	22.7	Very low	24.2	Very low	127 Å²	127	138 Å²	138	67%	0.665	75%	0.746	S	S	*	*			trans	-62.5	149.4	173.4	-61.9	146.8	0	0	0	115.2
290	H	24.3	Very low	24.3	Very low	200 Å²	200	138.3 Å²	138.3	93%	0.926	75%	0.754	S	S	*	*			trans	-142.8	145.6	136.2	-101.4	-81.9	0	0	0	109.6
291	Y	20.9	Very low	24.1	Very low	212 Å²	212	141.6 Å²	141.6	83%	0.831	76%	0.757	S	S	*	*			trans	-138.9	107.9	-167.4	-152.9	-68.9	0	0	0	109.5
292	V	24.1	Very low	24	Very low	135 Å²	135	141.6 Å²	141.6	82%	0.818	76%	0.761	S	S	*	*			trans	-141.3	100.7	171.6	-179.4	0	0	0	0	110.8
293	R	25.4	Very low	23.8	Very low	196 Å²	196	144.5 Å²	144.5	74%	0.74	77%	0.767	S	S	*	*			trans	55.6	130.3	132.1	-167.1	168	174	144.1	6.9	121.5	D295	R293-D295 IonicContact CZ-OD2 3.81Å; R293-D295 IonicContact NE-OD1 3.51Å; R293-D295 IonicContact NE-OD2 3.48Å; R293-D295 PolarHBondContact NE-OD2 3.03Å; R293-D295 IonicContact NH2-OD1 3.6Å; R293-D295 IonicContact NH2-OD2 2.65Å; R293-D295 PolarHBondContact NH2-OD2 3.29Å
294	D	21.3	Very low	23.7	Very low	142 Å²	142	144.8 Å²	144.8	76%	0.759	77%	0.774	S	S	*	*			trans	-89.5	146	166	-174.4	3.4	0	0	0	110.4
295	D	24.9	Very low	23.6	Very low	128 Å²	128	143.3 Å²	143.3	68%	0.684	77%	0.769	S	S	*	*			trans	-155.2	133.3	165.1	-87.3	-57.4	0	0	0	107.4	R293	R293-D295 IonicContact CZ-OD2 3.81Å; R293-D295 IonicContact NE-OD1 3.51Å; R293-D295 IonicContact NE-OD2 3.48Å; R293-D295 PolarHBondContact NE-OD2 3.03Å; R293-D295 IonicContact NH2-OD1 3.6Å; R293-D295 IonicContact NH2-OD2 2.65Å; R293-D295 PolarHBondContact NH2-OD2 3.29Å
296	G	23.5	Very low	23.6	Very low	60 Å²	60	145.2 Å²	145.2	62%	0.619	77%	0.765	S	S	*	*			trans	-142.9	-138.6	-165.2	0	0	0	0	0	116
297	M	24	Very low	23.6	Very low	191 Å²	191	149.3 Å²	149.3	94%	0.941	77%	0.772	S	S	*	*			trans	74.5	136.2	-176.3	-79.4	63	-177.6	0	0	117.2
298	G	24.8	Very low	23.4	Very low	78 Å²	78	142.2 Å²	142.2	80%	0.804	77%	0.765	S	S	*	*			trans	165.8	46.2	-178.4	0	0	0	0	0	114.1
299	D	21.7	Very low	23.4	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	78%	0.775	S	S	*	*			trans	-62.5	146.4	179.3	-78.9	-68.4	0	0	0	113.6
300	H	26.1	Very low	23.4	Very low	191 Å²	191	146 Å²	146	88%	0.884	78%	0.783	S	S	*	*			trans	-157.8	147.9	133.1	-96.7	-55.2	0	0	0	112.1
301	Q	22.1	Very low	23.3	Very low	184 Å²	184	140.2 Å²	140.2	86%	0.86	77%	0.77	S	S	*	*			trans	-87.3	179.5	179.5	-59.5	161.1	-47.5	0	0	109.6
302	A	22.8	Very low	23.5	Very low	79 Å²	79	139 Å²	139	65%	0.653	77%	0.774	S	S	*	*			cis	-163.8	171.4	21.2	0	0	0	0	0	113.8
303	E	22.5	Very low	23.5	Very low	185 Å²	185	137.3 Å²	137.3	86%	0.864	77%	0.774	S	S	*	*			trans	64.1	162.9	147.8	-72	176.5	-177.8	0	0	121.5
304	V	22.4	Very low	23.4	Very low	123 Å²	123	131.3 Å²	131.3	75%	0.745	77%	0.773	S	S	*	*				-170.6	158.5	-53.1	125.8	0	0	0	0	109.9
305	S	22.8	Very low	23.7	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	78%	0.779	S	S	*	*			trans	75.1	158	176.8	-52	0	0	0	0	116.5
306	Q	25.6	Very low	23.7	Very low	157 Å²	157	133 Å²	133	73%	0.734	78%	0.783	S	S	*	*			cis	144.7	121.9	-25.9	-98.9	-164.1	-19.2	0	0	109.6
307	M	22.7	Very low	23.9	Very low	170 Å²	170	136.7 Å²	136.7	84%	0.837	78%	0.784	S	S	*	*			trans	62.4	155.8	160.3	-59.3	-179.4	-82.2	0	0	117.8
308	G	23.1	Very low	24.1	Very low	63 Å²	63	134.1 Å²	134.1	65%	0.649	77%	0.767	S	S	*	*			cis	175.4	149.8	-10.5	0	0	0	0	0	113.3
309	L	23.3	Very low	24.1	Very low	151 Å²	151	137.3 Å²	137.3	79%	0.791	76%	0.761	S	S	*	*			trans	42.2	134.5	159.5	-67.2	103.2	0	0	0	123.9
310	E	22.9	Very low	24.3	Very low	178 Å²	178	137.9 Å²	137.9	83%	0.832	76%	0.763	S	S	*	*			trans	67.2	161.5	141.3	-68.8	174.2	-168	0	0	120.9
311	A	23.4	Very low	24.2	Very low	78 Å²	78	132.6 Å²	132.6	65%	0.645	75%	0.753	S	S	*	*			cis	-171.9	165.8	-35.2	0	0	0	0	0	110.3
312	M	24.3	Very low	24.2	Very low	187 Å²	187	128.9 Å²	128.9	92%	0.921	75%	0.747	S	S	*	*			trans	66	156	172.2	-55.6	-62.7	-166.2	0	0	116.2
313	A	23.8	Very low	24.3	Very low	99 Å²	99	131.9 Å²	131.9	82%	0.818	75%	0.751	S	S	*	*			cis	-162.6	166.4	-22.8	0	0	0	0	0	106.8
314	G	23.6	Very low	24.3	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	75%	0.751	S	S	*	*			cis	-175	171.3	-4.2	0	0	0	0	0	111.8
315	M	27	Very low	24.4	Very low	180 Å²	180	132.1 Å²	132.1	89%	0.887	75%	0.747	S	S	*	*			trans	19.3	137.9	141.6	-46.7	-170.5	77.8	0	0	118.8
316	T	25.7	Very low	24.6	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	76%	0.755	S	S	*	*				-146.1	160.5	52.7	49	0	0	0	0	111.1
317	E	27.5	Very low	25.1	Very low	137 Å²	137	133 Å²	133	64%	0.64	75%	0.754	S	S	*	*			cis	-164	-176.2	-3.3	-114.5	-170.5	141.9	0	0	105.6
318	K	27.2	Very low	25.1	Very low	137 Å²	137	130.9 Å²	130.9	60%	0.596	75%	0.751	S	S	*	*			cis	-155.1	176.8	5.9	-131.9	168.9	175.6	95.4	0	105.6
319	H	25.4	Very low	25.1	Very low	146 Å²	146	134.4 Å²	134.4	68%	0.676	76%	0.755	S	S	*	*			cis	-146.7	-136.2	4.6	-152.2	-29.8	0	0	0	110
320	L	26.3	Very low	25.4	Very low	153 Å²	153	134.5 Å²	134.5	80%	0.801	75%	0.751	S	S	*	*			trans	-144.5	173.5	-178.1	-72.8	145.4	0	0	0	108.4
321	A	22.9	Very low	25.5	Very low	81 Å²	81	134 Å²	134	67%	0.669	75%	0.746	S	S	*	*			cis	-176.5	159.2	-38.7	0	0	0	0	0	108.4
322	S	23.3	Very low	25.6	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	75%	0.745	S	S	*	*			trans	30	137.1	152.3	-157.6	0	0	0	0	122.7
323	L	25	Very low	25.6	Very low	142 Å²	142	133.5 Å²	133.5	74%	0.743	74%	0.74	S	S	*	*				153.6	127.3	119.7	-77.5	171.1	0	0	0	115.1
324	Y	22.6	Very low	25.6	Very low	218 Å²	218	132.3 Å²	132.3	86%	0.855	73%	0.73	S	S	*	*			trans	56.8	-176.6	152.6	-73.8	-76.6	0	0	0	122.1
325	S	24.1	Very low	25.7	Very low	96 Å²	96	137 Å²	137	67%	0.671	74%	0.736	S	S	*	*			trans	-132.9	144	-141.8	-45.2	0	0	0	0	116.5
326	L	27.1	Very low	25.6	Very low	168 Å²	168	136.2 Å²	136.2	88%	0.88	73%	0.732	S	S	*	*			trans	63.6	172.1	158.5	-65.9	168.5	0	0	0	116.4
327	P	35.3	Very low	25.5	Very low	110 Å²	110	135.7 Å²	135.7	71%	0.714	73%	0.733	S	S	*	*			cis	-138.4	-167.3	0.5	47.6	-30.4	0	0	0	116.7
328	V	23.8	Very low	25.4	Very low	125 Å²	125	137.6 Å²	137.6	76%	0.758	74%	0.744	S	S	*	*			trans	64.4	96.9	154	-179	0	0	0	0	123.2
329	N	23.4	Very low	25.9	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	75%	0.75	S	S	*	*				20.9	134.8	117	-166.8	12.7	0	0	0	123.8
330	H	28.2	Very low	25.9	Very low	153 Å²	153	135 Å²	135	71%	0.708	75%	0.752	S	S	*	*			trans	-173.7	136.8	132	-110.2	-38.2	0	0	0	118.1
331	K	26.2	Very low	26.1	Very low	167 Å²	167	132.4 Å²	132.4	73%	0.726	75%	0.746	S	S	*	*			trans	68.6	155.4	143.8	-80.2	176.7	179.1	-179.1	0	120.8
332	T	24.9	Very low	26.4	Very low	104 Å²	104	136.5 Å²	136.5	64%	0.638	75%	0.754	S	S	*	*			cis	-148.1	146.1	3.3	28.9	0	0	0	0	111.9
333	D	24.1	Very low	26.6	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	75%	0.751	S	S	*	*			trans	35.8	156.4	133.6	-35.6	-40.7	0	0	0	122.1
334	A	23.9	Very low	26.6	Very low	73 Å²	73	134.3 Å²	134.3	60%	0.603	76%	0.755	S	S	*	*			cis	-159.7	139.2	8.2	0	0	0	0	0	110.6
335	M	25.7	Very low	26.8	Very low	169 Å²	169	128 Å²	128	83%	0.833	75%	0.748	S	S	*	*				85.5	141.2	94.4	87.6	-175.3	161.8	0	0	120.3
336	M	25.4	Very low	26.8	Very low	163 Å²	163	130.6 Å²	130.6	80%	0.803	75%	0.753	S	S	*	*			trans	89.3	113.5	156	-63.2	-60.8	-178.4	0	0	124.7
337	S	23.2	Very low	27.3	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	75%	0.745	S	S	*	*			trans	65.9	141.8	131.8	63.4	0	0	0	0	126.4
338	M	24.7	Very low	26.8	Very low	176 Å²	176	130.2 Å²	130.2	87%	0.867	75%	0.749	S	S	*	*			trans	-60.2	176.2	160.7	-73.6	-80.8	178.9	0	0	113.6
339	P	38.3	Very low	27	Very low	111 Å²	111	129.1 Å²	129.1	72%	0.721	75%	0.747	S	S	*	*			cis	-157.5	-166.7	28.8	49.1	-27.4	0	0	0	120.4
340	V	25.9	Very low	27.5	Very low	119 Å²	119	128.9 Å²	128.9	72%	0.721	75%	0.752	S	S	*	*			trans	81	123.6	149.8	167.4	0	0	0	0	122.9
341	S	29.4	Very low	27.4	Very low	97 Å²	97	126.1 Å²	126.1	68%	0.678	76%	0.757	S	S	*	*			trans	23.6	155.2	141.6	-44.4	0	0	0	0	123.2
342	M	29.3	Very low	27.4	Very low	168 Å²	168	126.8 Å²	126.8	83%	0.828	77%	0.767	S	S	*	*				-163.2	-179.3	56.2	-67.3	-71.6	-172	0	0	111.8
343	A	27.3	Very low	27.3	Very low	81 Å²	81	126.3 Å²	126.3	67%	0.669	77%	0.774	S	S	*	*			cis	178.3	145.2	-45.7	0	0	0	0	0	110.6
344	S	26.2	Very low	27.3	Very low	120 Å²	120	127.9 Å²	127.9	84%	0.839	78%	0.779	S	S	*	*			trans	-178.8	111.2	158.8	-80.8	0	0	0	0	109.6
345	A	25.8	Very low	27.3	Very low	85 Å²	85	129.3 Å²	129.3	70%	0.702	78%	0.784	S	S	*	*				80.3	100.4	81.2	0	0	0	0	0	113.2
346	L	25.7	Very low	27.3	Very low	150 Å²	150	130 Å²	130	79%	0.785	79%	0.788	S	S	*	*				77.9	155	71	-71.8	177.6	0	0	0	113.7	M348	L346-M348 HydrophobicContact CD2-CE 4.36Å
347	P	35.9	Very low	27.1	Very low	108 Å²	108	128.6 Å²	128.6	70%	0.701	78%	0.783	S	S	*	*			cis	-141.5	156.2	17.8	41.5	-22.3	0	0	0	120
348	M	26.1	Very low	27.1	Very low	163 Å²	163	132 Å²	132	80%	0.803	78%	0.784	S	S	*	*			trans	57.5	154.5	133.4	-60.1	-60.5	157.1	0	0	125.2	L346	L346-M348 HydrophobicContact CD2-CE 4.36Å
349	S	28.1	Very low	27.1	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	78%	0.778	S	S	*	*			trans	-123.6	169.3	174	57.5	0	0	0	0	111.9
350	P	34	Very low	26.6	Very low	131 Å²	131	129.4 Å²	129.4	85%	0.851	78%	0.781	S	S	*	*			trans	-134.2	167.5	137.4	38.5	-28	0	0	0	113.3
351	A	24.6	Very low	26.7	Very low	96 Å²	96	134.3 Å²	134.3	79%	0.793	79%	0.788	S	S	*	*			trans	-107.1	151.7	178.9	0	0	0	0	0	112.4
352	L	26.2	Very low	26.5	Very low	180 Å²	180	133.2 Å²	133.2	94%	0.942	79%	0.792	S	S	*	*			trans	-140.1	145.3	159.5	-87.1	177.5	0	0	0	109.4
353	A	23.6	Very low	26.4	Very low	95 Å²	95	128.7 Å²	128.7	79%	0.785	79%	0.788	S	S	*	*			trans	-113.9	138.2	173.6	0	0	0	0	0	109.7
354	M	24.1	Very low	26.4	Very low	184 Å²	184	133.4 Å²	133.4	91%	0.906	80%	0.801	S	S	*	*			trans	-139.8	122.6	164.4	-71.4	-165.7	71.9	0	0	109.2
355	S	22.9	Very low	26.5	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	80%	0.798	S	S	*	*			trans	-89.5	142.1	169.6	47.8	0	0	0	0	110.3
356	M	25.6	Very low	26.9	Very low	184 Å²	184	136.5 Å²	136.5	91%	0.906	80%	0.802	S	S	*	*			trans	-139.6	104.2	167.1	-81.1	-73	-75.4	0	0	107.1
357	D	21.2	Very low	26.9	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	80%	0.803	S	S	*	*			trans	-100.2	146.2	-178	-91	-50.4	0	0	0	112.3
358	F	23.4	Very low	26.4	Very low	185 Å²	185	137.8 Å²	137.8	81%	0.811	81%	0.808	S	S	*	*			trans	34.9	116.8	150.3	-77.6	-96.2	0	0	0	119.9
359	S	24.6	Very low	26.5	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	81%	0.812	S	S	*	*				162.8	100.7	101.7	-72.7	0	0	0	0	113.5
360	T	28.6	Very low	26.7	Very low	126 Å²	126	142.9 Å²	142.9	77%	0.773	82%	0.819	S	S	*	*	S	Bend	trans	-155.3	134.6	150.5	-21.8	0	0	0	0	110.6
361	Y	27.1	Very low	26.5	Very low	222 Å²	222	145.8 Å²	145.8	87%	0.871	82%	0.822	S	S	*	*			trans	60.2	92.4	178.1	-66.1	-78.9	0	0	0	117.8
362	G	26	Very low	27	Very low	74 Å²	74	152.5 Å²	152.5	76%	0.763	83%	0.826	S	S	*	*			trans	-68.7	147.6	140.4	0	0	0	0	0	109.2
363	G	26.6	Very low	27.4	Very low	73 Å²	73	152.6 Å²	152.6	75%	0.753	82%	0.822	S	S	*	*				109.9	134	88.9	0	0	0	0	0	108
364	L	27.7	Very low	27.6	Very low	179 Å²	179	157.3 Å²	157.3	94%	0.937	83%	0.825	S	S	*	*			cis	-123.1	157.4	39.2	-64.8	158.3	0	0	0	113.7
365	L	28.1	Very low	27.9	Very low	148 Å²	148	157.3 Å²	157.3	78%	0.775	82%	0.82	S	S	*	*			trans	-105.1	176.3	171.2	-53.8	167.5	0	0	0	109
366	P	33.6	Very low	28.4	Very low	122 Å²	122	157.2 Å²	157.2	79%	0.792	82%	0.82	S	S	*	*				-142.5	177.2	70.8	27.2	-4.5	0	0	0	115.5
367	Q	26.9	Very low	28.7	Very low	170 Å²	170	157.1 Å²	157.1	79%	0.794	81%	0.814	S	S	*	*			cis	170.9	101.4	-41.4	170.2	176.6	-15.7	0	0	109.4
368	S	25.6	Very low	29.3	Very low	115 Å²	115	158.2 Å²	158.2	80%	0.804	82%	0.819	S	S	*	*			trans	-172.6	38	162.5	67.9	0	0	0	0	115.7
369	F	28.1	Very low	29.8	Very low	204 Å²	204	152.7 Å²	152.7	90%	0.895	81%	0.814	S	S	*	*			trans	-125.8	160.9	163.8	-110.4	-105.2	0	0	0	108.8
370	I	31.1	Very low	30.3	Very low	169 Å²	169	155.8 Å²	155.8	87%	0.867	82%	0.817	S	S	*	*			trans	73.1	68.6	-167.3	-43	169.5	0	0	0	113.2
371	Q	31.7	Very low	30.6	Very low	192 Å²	192	158.2 Å²	158.2	90%	0.897	82%	0.824	S	S	*	*			trans	-154.5	82	153.3	-127.9	-176	14.5	0	0	111.7
372	R	34.8	Very low	30.7	Very low	237 Å²	237	152.3 Å²	152.3	89%	0.894	82%	0.821	S	S	*	*	S	Bend	trans	-155.8	-40.7	164.1	-118.6	170.4	-159.9	168.6	7.2	115	F374	R372-F374 PolarHBondContact O-N 3.23Å
373	E	33.5	Very low	31.1	Very low	182 Å²	182	156 Å²	156	85%	0.85	83%	0.828	S	S	*	*	G	3₁₀ helix	trans	-72	-25.6	-172.7	-62.1	-173.4	128.1	0	0	114.3	F375 S376	E373-F375 VanDerWaalsContact C-N 3.26Å; E373-F375 PolarHBondContact O-N 3.11Å; E373-S376 PolarHBondContact O-N 3.48Å
374	F	27.5	Very low	31.3	Very low	194 Å²	194	155.5 Å²	155.5	85%	0.851	82%	0.823	S	S	*	*	G	3₁₀ helix	trans	-72.7	-11.5	-173.9	-148.9	-96.5	0	0	0	115	R372	R372-F374 PolarHBondContact O-N 3.23Å
375	F	30.4	Very low	31.6	Very low	184 Å²	184	156.3 Å²	156.3	81%	0.807	83%	0.825	S	S	*	*	G	3₁₀ helix	trans	-93.1	-6.2	173.5	-96.4	-78.9	0	0	0	114.1	E373 K377	E373-F375 VanDerWaalsContact C-N 3.26Å; E373-F375 PolarHBondContact O-N 3.11Å; F375-K377 PolarHBondContact O-N 2.75Å
376	S	33.8	Very low	31.6	Very low	101 Å²	101	158.3 Å²	158.3	71%	0.706	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	8.8	-176.4	-162.5	0	0	0	0	115	E373	E373-S376 PolarHBondContact O-N 3.48Å
377	K	32.4	Very low	31.6	Very low	182 Å²	182	158.5 Å²	158.5	79%	0.791	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.8	15.5	-179.2	-80	-158.3	170.2	-168.9	0	116.1	F375	F375-K377 PolarHBondContact O-N 2.75Å
378	L	32.9	Very low	31.8	Very low	155 Å²	155	157.4 Å²	157.4	81%	0.812	83%	0.828	S	S	*	*	S	Bend	trans	-123.9	41.7	171.4	-72	175.1	0	0	0	112.2
379	G	34	Very low	32.7	Very low	69 Å²	69	155.7 Å²	155.7	71%	0.711	83%	0.829	S	S	*	*	S	Bend	trans	-119.6	-5.5	175.2	0	0	0	0	0	115.5
380	E	35.6	Very low	33	Very low	174 Å²	174	156.9 Å²	156.9	81%	0.813	83%	0.828	S	S	*	*	S	Bend	trans	-104.2	18.1	-166.8	-62.8	-170.1	128.1	0	0	115.2
381	L	34.9	Very low	33.3	Very low	177 Å²	177	155.1 Å²	155.1	93%	0.927	82%	0.82	S	S	*	*			trans	-130.3	53.1	175.7	-76.2	178.2	0	0	0	113.5
382	A	30.3	Very low	34	Very low	97 Å²	97	154 Å²	154	80%	0.802	82%	0.815	S	S	*	*			trans	-138.3	80.5	164	0	0	0	0	0	109.9
383	V	34.5	Very low	34.6	Very low	151 Å²	151	147.1 Å²	147.1	92%	0.915	79%	0.792	S	S	*	*			trans	-74.8	127.3	-177.9	174.7	0	0	0	0	111
384	G	30.4	Very low	35.5	Very low	63 Å²	63	142.6 Å²	142.6	65%	0.649	77%	0.771	S	S	*	*			trans	125.6	76.1	147.1	0	0	0	0	0	117.9
385	M	32.7	Very low	36.8	Very low	197 Å²	197	141.2 Å²	141.2	97%	0.97	76%	0.76	S	S	*	*				-162.1	160.9	122.7	-105.8	175.1	-172.5	0	0	111.2
386	K	29.1	Very low	38.2	Very low	189 Å²	189	132.6 Å²	132.6	82%	0.822	72%	0.723	S	S	*	*			trans	-60.8	144.1	-162.3	-58.8	176.5	-179.8	179.7	0	114.2
387	P	34.5	Very low	39	Very low	127 Å²	127	133.9 Å²	133.9	83%	0.825	72%	0.722	S	S	*	*			trans	-84	120.8	160.4	33.1	-29.3	0	0	0	110.7
388	D	30.1	Very low	39.9	Very low	146 Å²	146	127.1 Å²	127.1	78%	0.781	70%	0.696	S	S	*	*			trans	-106.7	122.5	158.3	-85.3	-57.3	0	0	0	107.9
389	G	43.5	Very low	40.7	Very low	80 Å²	80	122.3 Å²	122.3	83%	0.825	68%	0.675	S	S	*	*			trans	-70.8	144.3	-164.2	0	0	0	0	0	114.6
390	R	36.4	Very low	41.9	Very low	229 Å²	229	121.6 Å²	121.6	86%	0.864	67%	0.667	S	S	*	*			trans	-140.8	109.3	164.1	-58.1	-176.1	-161.7	177.6	6.5	108.8	Q392	R390-Q392 PolarHBondContact O-N 3.04Å
391	N	36.7	Very low	42.7	Very low	131 Å²	131	115 Å²	115	70%	0.701	64%	0.642	S	S	*	*			trans	-64.9	121	163.5	-72.3	10.7	0	0	0	107.8	H393	N391-H393 VanDerWaalsContact C-N 3.27Å; N391-H393 VanDerWaalsContact CB-NE2 3.29Å; N391-H393 WeakPolarHBondContact CB-NE2 3.25Å; N391-H393 PolarHBondContact ND2-NE2 3.01Å; N391-H393 PolarHBondContact O-N 3.18Å
392	Q	45.8	Very low	43.3	Very low	170 Å²	170	112.9 Å²	112.9	79%	0.794	63%	0.628	S	S	*	*			trans	-86.4	73.4	168.1	-70.7	-177.2	-19.6	0	0	108.5	R390 E394	R390-Q392 PolarHBondContact O-N 3.04Å; Q392-E394 PolarHBondContact O-N 3.48Å
393	H	47	Very low	45	Very low	92 Å²	92	110 Å²	110	43%	0.426	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-64.1	120.5	167.6	-47.5	139.6	0	0	0	108	N391 E402	N391-H393 VanDerWaalsContact C-N 3.27Å; N391-H393 VanDerWaalsContact CB-NE2 3.29Å; N391-H393 WeakPolarHBondContact CB-NE2 3.25Å; N391-H393 PolarHBondContact ND2-NE2 3.01Å; N391-H393 PolarHBondContact O-N 3.18Å; H393-E402 HydrophobicContact CB-CB 4.05Å; H393-E402 HydrophobicContact CB-CG 4.37Å; H393-E402 IonicContact CG-OE2 2.76Å; H393-E402 IonicContact ND1-OE2 2.9Å; H393-E402 PolarHBondContact ND1-OE2 3.04Å
394	E	53.8	Low	45.8	Very low	87 Å²	87	107 Å²	107	41%	0.407	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	133.2	177.7	-72.6	-154.7	138.9	0	0	110.6	Q392 L403 N406 V409	Q392-E394 PolarHBondContact O-N 3.48Å; E394-L403 PolarHBondContact N-O 3.02Å; E394-L403 VanDerWaalsContact N-O 3.09Å; E394-L403 PolarHBondContact O-N 2.9Å; E394-N406 WeakPolarHBondContact OE2-CB 3.38Å; E394-N406 PolarHBondContact OE2-ND2 3.49Å; E394-V409 HydrophobicContact CB-CG2 3.88Å
395	R	54.2	Low	47.4	Very low	164 Å²	164	108.9 Å²	108.9	62%	0.619	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.4	125.9	-173.2	41.4	169.6	-95.2	-171.4	-7.2	111.6	N397 A401 E402	R395-N397 PolarHBondContact NH2-OD1 3.22Å; R395-N397 PolarHBondContact O-N 3.34Å; R395-A401 WeakPolarHBondContact CA-O 3.49Å; R395-E402 HydrophobicContact CB-CG 4.45Å
396	C	59.4	Low	48.5	Very low	4 Å²	4	104.5 Å²	104.5	3%	0.027	56%	0.558	C	S	.	*			trans	-65.7	115.1	171.7	-179.4	0	0	0	0	110.5	V398 C399 G400 A401	C396-V398 PolarHBondContact O-N 3.39Å; C396-V398 VanDerWaalsContact O-N 3.08Å; C396-C399 VanDerWaalsContact CB-SG 3.58Å; C396-C399 PolarHBondContact O-N 2.68Å; C396-C399 VanDerWaalsContact SG-SG 3.66Å; C396-G400 WeakPolarHBondContact O-CA 3.27Å; C396-G400 PolarHBondContact O-N 3.26Å; C396-A401 PolarHBondContact N-O 2.93Å
397	N	50.1	Low	49.8	Very low	127 Å²	127	102.1 Å²	102.1	68%	0.679	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.6	-176.8	-73.3	-42.1	0	0	0	115	R395	R395-N397 PolarHBondContact NH2-OD1 3.22Å; R395-N397 PolarHBondContact O-N 3.34Å
398	V	52.1	Low	50.9	Low	41 Å²	41	97.6 Å²	97.6	25%	0.248	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-36	178.1	-176.1	0	0	0	0	112.3	C396 H416 T421 S430 L432	C396-V398 PolarHBondContact O-N 3.39Å; C396-V398 VanDerWaalsContact O-N 3.08Å; V398-H416 HydrophobicContact CG1-CB 4.34Å; V398-T421 HydrophobicContact CG1-CG2 3.89Å; V398-S430 PolarHBondContact O-OG 3.29Å; V398-S430 VanDerWaalsContact O-OG 3.13Å; V398-L432 HydrophobicContact CG1-CD2 4.04Å
399	C	50.5	Low	52.3	Low	54 Å²	54	91.5 Å²	91.5	37%	0.365	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-8.5	-170.3	68.6	0	0	0	0	114.7	C396 A401 H412 L432	C396-C399 VanDerWaalsContact CB-SG 3.58Å; C396-C399 PolarHBondContact O-N 2.68Å; C396-C399 VanDerWaalsContact SG-SG 3.66Å; C399-A401 VanDerWaalsContact C-N 3.3Å; C399-A401 PolarHBondContact O-N 3.28Å; C399-A401 VanDerWaalsContact SG-CB 3.58Å; C399-A401 PolarHBondContact SG-N 3.08Å; C399-H412 PolarHBondContact SG-NE2 3.35Å; C399-L432 HydrophobicContact CB-CD1 4.29Å
400	G	57.9	Low	52.9	Low	54 Å²	54	90.8 Å²	90.8	56%	0.557	47%	0.466	S	S	*	.			trans	78.9	-0.2	-178.6	0	0	0	0	0	115.8	C396 E402	C396-G400 WeakPolarHBondContact O-CA 3.27Å; C396-G400 PolarHBondContact O-N 3.26Å; G400-E402 PolarHBondContact O-N 2.97Å
401	A	53.4	Low	53.8	Low	34 Å²	34	85.2 Å²	85.2	28%	0.281	45%	0.45	S	S	.	.			trans	-64.8	122.2	-179.3	0	0	0	0	0	111.7	R395 C396 C399	R395-A401 WeakPolarHBondContact CA-O 3.49Å; C396-A401 PolarHBondContact N-O 2.93Å; C399-A401 VanDerWaalsContact C-N 3.3Å; C399-A401 PolarHBondContact O-N 3.28Å; C399-A401 VanDerWaalsContact SG-CB 3.58Å; C399-A401 PolarHBondContact SG-N 3.08Å
402	E	47.1	Very low	54.7	Low	134 Å²	134	81.5 Å²	81.5	63%	0.626	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.1	166.8	-72.1	-177	-159.8	0	0	109.5	H393 R395 G400	H393-E402 HydrophobicContact CB-CB 4.05Å; H393-E402 HydrophobicContact CB-CG 4.37Å; H393-E402 IonicContact CG-OE2 2.76Å; H393-E402 IonicContact ND1-OE2 2.9Å; H393-E402 PolarHBondContact ND1-OE2 3.04Å; R395-E402 HydrophobicContact CB-CG 4.45Å; G400-E402 PolarHBondContact O-N 2.97Å
403	L	65.6	Low	55.1	Low	37 Å²	37	80 Å²	80	19%	0.194	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.7	-179.2	-68.1	167.7	0	0	0	109.6	E394 D405 V409 H412	E394-L403 PolarHBondContact N-O 3.02Å; E394-L403 VanDerWaalsContact N-O 3.09Å; E394-L403 PolarHBondContact O-N 2.9Å; L403-D405 PolarHBondContact O-N 3.12Å; L403-V409 HydrophobicContact CB-CG2 3.79Å; L403-V409 HydrophobicContact CD1-CB 4.46Å; L403-V409 HydrophobicContact CD1-CG2 4.08Å; L403-H412 HydrophobicContact CD1-CB 3.57Å
404	P	51.8	Low	55.5	Low	87 Å²	87	82.1 Å²	82.1	57%	0.565	42%	0.423	S	S	*	.	S	Bend	trans	-70.2	-33.5	-170.6	26.9	-34.8	0	0	0	113.3
405	D	63.3	Low	55.4	Low	103 Å²	103	84 Å²	84	55%	0.551	43%	0.433	S	S	*	.	S	Bend	trans	-135	144.3	-170	-58.5	-76.5	0	0	0	111.6	L403 E407 A408 V409	L403-D405 PolarHBondContact O-N 3.12Å; D405-E407 PolarHBondContact O-N 2.67Å; D405-A408 HydrophobicContact CB-CB 4.37Å; D405-A408 WeakPolarHBondContact O-CA 3.29Å; D405-A408 WeakPolarHBondContact O-CB 3.49Å; D405-A408 PolarHBondContact O-N 2.63Å; D405-V409 PolarHBondContact O-N 3.17Å
406	N	56.1	Low	55.1	Low	104 Å²	104	77.3 Å²	77.3	56%	0.556	41%	0.409	S	S	*	.	H	α-helix	trans	-57.9	-34.7	177.6	-177.1	-93.2	0	0	0	112.7	E394 V409 E410	E394-N406 WeakPolarHBondContact OE2-CB 3.38Å; E394-N406 PolarHBondContact OE2-ND2 3.49Å; N406-V409 WeakPolarHBondContact O-CB 3.46Å; N406-V409 PolarHBondContact O-N 3.44Å; N406-E410 PolarHBondContact O-N 2.74Å
407	E	57	Low	54.4	Low	140 Å²	140	81.7 Å²	81.7	65%	0.654	44%	0.44	S	S	*	.	H	α-helix	trans	-67.4	-36	175.2	-172.2	171	-179.3	0	0	112.1	D405 E410 Q411	D405-E407 PolarHBondContact O-N 2.67Å; E407-E410 PolarHBondContact O-N 2.88Å; E407-Q411 WeakPolarHBondContact O-CG 3.36Å; E407-Q411 PolarHBondContact O-N 3.21Å
408	A	57.2	Low	54.3	Low	31 Å²	31	79.6 Å²	79.6	26%	0.256	45%	0.448	S	S	.	.	H	α-helix	trans	-68.6	-36	172	0	0	0	0	0	111.6	D405 E410 H412	D405-A408 HydrophobicContact CB-CB 4.37Å; D405-A408 WeakPolarHBondContact O-CA 3.29Å; D405-A408 WeakPolarHBondContact O-CB 3.49Å; D405-A408 PolarHBondContact O-N 2.63Å; A408-E410 VanDerWaalsContact C-N 3.34Å; A408-H412 WeakPolarHBondContact O-CB 3.48Å; A408-H412 PolarHBondContact O-N 2.57Å
409	V	59.3	Low	54	Low	19 Å²	19	82.6 Å²	82.6	12%	0.115	46%	0.461	C	S	.	.	H	α-helix	trans	-60.3	-42.9	170.1	178.1	0	0	0	0	111	E394 L403 D405 N406 H412 R413	E394-V409 HydrophobicContact CB-CG2 3.88Å; L403-V409 HydrophobicContact CB-CG2 3.79Å; L403-V409 HydrophobicContact CD1-CB 4.46Å; L403-V409 HydrophobicContact CD1-CG2 4.08Å; D405-V409 PolarHBondContact O-N 3.17Å; N406-V409 WeakPolarHBondContact O-CB 3.46Å; N406-V409 PolarHBondContact O-N 3.44Å; V409-H412 CarbonylContact O-C 3.54Å; V409-H412 PolarHBondContact O-N 2.78Å; V409-R413 WeakPolarHBondContact O-CB 3.3Å; V409-R413 PolarHBondContact O-N 3.2Å
410	E	55.5	Low	53.7	Low	64 Å²	64	88.4 Å²	88.4	30%	0.299	48%	0.48	S	S	.	.	H	α-helix	trans	-74.2	-36.3	-177.9	-166.4	58	-153.8	0	0	112.8	N406 E407 A408 R413 K414	N406-E410 PolarHBondContact O-N 2.74Å; E407-E410 PolarHBondContact O-N 2.88Å; A408-E410 VanDerWaalsContact C-N 3.34Å; E410-R413 PolarHBondContact O-N 3.12Å; E410-R413 IonicContact OE1-CZ 2.66Å; E410-R413 IonicContact OE1-NE 3.84Å; E410-R413 PolarHBondContact OE1-NE 3.48Å; E410-R413 VanDerWaalsContact OE1-NE 3.13Å; E410-R413 IonicContact OE1-NH2 3.73Å; E410-R413 PolarHBondContact OE1-NH2 3.14Å; E410-R413 IonicContact OE2-CZ 2.88Å; E410-R413 IonicContact OE2-NE 2.67Å; E410-R413 PolarHBondContact OE2-NE 3.12Å; E410-R413 IonicContact OE2-NH2 3.53Å; E410-R413 PolarHBondContact OE2-NH2 3.15Å; E410-K414 WeakPolarHBondContact O-CG 3.34Å; E410-K414 PolarHBondContact O-N 3.48Å
411	Q	55.3	Low	53.5	Low	113 Å²	113	89.4 Å²	89.4	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-64.3	-41.7	169.1	-69.5	179.2	24.3	0	0	111.2	E407 R413 K414	E407-Q411 WeakPolarHBondContact O-CG 3.36Å; E407-Q411 PolarHBondContact O-N 3.21Å; Q411-R413 VanDerWaalsContact C-N 3.31Å; Q411-R413 PolarHBondContact O-N 3.03Å; Q411-K414 WeakPolarHBondContact O-CB 3.35Å; Q411-K414 PolarHBondContact O-N 3.21Å
412	H	55.6	Low	53.5	Low	52 Å²	52	92.5 Å²	92.5	24%	0.241	48%	0.48	C	S	.	.	H	α-helix	trans	-65.1	-32.4	172.4	-178.1	90.9	0	0	0	112.3	C399 L403 A408 V409 K414 M415 H416	C399-H412 PolarHBondContact SG-NE2 3.35Å; L403-H412 HydrophobicContact CD1-CB 3.57Å; A408-H412 WeakPolarHBondContact O-CB 3.48Å; A408-H412 PolarHBondContact O-N 2.57Å; V409-H412 CarbonylContact O-C 3.54Å; V409-H412 PolarHBondContact O-N 2.78Å; H412-K414 VanDerWaalsContact C-N 3.29Å; H412-K414 PolarHBondContact O-N 3.21Å; H412-M415 VanDerWaalsContact O-CB 3.3Å; H412-M415 WeakPolarHBondContact O-CB 3.24Å; H412-M415 PolarHBondContact O-N 3.48Å; H412-H416 AromaticContact CD2-CD2 3.91Å; H412-H416 AromaticContact CD2-NE2 3.32Å; H412-H416 PolarHBondContact CD2-NE2 3.42Å; H412-H416 VanDerWaalsContact CD2-NE2 3.32Å; H412-H416 AromaticContact CE1-NE2 3.88Å; H412-H416 AromaticContact NE2-CD2 3.97Å; H412-H416 AromaticContact NE2-CE1 3.78Å; H412-H416 AromaticContact NE2-NE2 2.95Å; H412-H416 PolarHBondContact NE2-NE2 3.32Å; H412-H416 PolarHBondContact O-CD2 2.72Å
413	R	55.1	Low	53.4	Low	140 Å²	140	89.8 Å²	89.8	53%	0.528	48%	0.476	S	S	.	.	H	α-helix	trans	-65.2	-32.9	176.2	-164.2	163.5	71.1	156.2	2.2	112.2	V409 E410 Q411 M415 H416 S417	V409-R413 WeakPolarHBondContact O-CB 3.3Å; V409-R413 PolarHBondContact O-N 3.2Å; E410-R413 PolarHBondContact O-N 3.12Å; E410-R413 IonicContact OE1-CZ 2.66Å; E410-R413 IonicContact OE1-NE 3.84Å; E410-R413 PolarHBondContact OE1-NE 3.48Å; E410-R413 VanDerWaalsContact OE1-NE 3.13Å; E410-R413 IonicContact OE1-NH2 3.73Å; E410-R413 PolarHBondContact OE1-NH2 3.14Å; E410-R413 IonicContact OE2-CZ 2.88Å; E410-R413 IonicContact OE2-NE 2.67Å; E410-R413 PolarHBondContact OE2-NE 3.12Å; E410-R413 IonicContact OE2-NH2 3.53Å; E410-R413 PolarHBondContact OE2-NH2 3.15Å; Q411-R413 VanDerWaalsContact C-N 3.31Å; Q411-R413 PolarHBondContact O-N 3.03Å; R413-M415 PolarHBondContact O-N 2.9Å; R413-H416 PolarHBondContact O-N 2.86Å; R413-S417 PolarHBondContact O-N 3.49Å
414	K	55.1	Low	53	Low	136 Å²	136	88.1 Å²	88.1	59%	0.591	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.1	171.9	-64.4	166.7	-172.4	173.3	0	113.8	E410 Q411 H412 S417	E410-K414 WeakPolarHBondContact O-CG 3.34Å; E410-K414 PolarHBondContact O-N 3.48Å; Q411-K414 WeakPolarHBondContact O-CB 3.35Å; Q411-K414 PolarHBondContact O-N 3.21Å; H412-K414 VanDerWaalsContact C-N 3.29Å; H412-K414 PolarHBondContact O-N 3.21Å; K414-S417 WeakPolarHBondContact CA-OG 3.42Å; K414-S417 PolarHBondContact O-OG 3Å
415	M	51	Low	53.2	Low	126 Å²	126	93.1 Å²	93.1	62%	0.621	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.5	168.5	-59.2	-63	-64.1	0	0	112.7	H412 R413 M419	H412-M415 VanDerWaalsContact O-CB 3.3Å; H412-M415 WeakPolarHBondContact O-CB 3.24Å; H412-M415 PolarHBondContact O-N 3.48Å; R413-M415 PolarHBondContact O-N 2.9Å; M415-M419 WeakPolarHBondContact O-CE 3.3Å
416	H	49.2	Very low	52.9	Low	24 Å²	24	93.8 Å²	93.8	11%	0.111	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-19.1	177.1	-60.4	-62.6	0	0	0	113.1	V398 H412 R413 G418 M419	V398-H416 HydrophobicContact CG1-CB 4.34Å; H412-H416 AromaticContact CD2-CD2 3.91Å; H412-H416 AromaticContact CD2-NE2 3.32Å; H412-H416 PolarHBondContact CD2-NE2 3.42Å; H412-H416 VanDerWaalsContact CD2-NE2 3.32Å; H412-H416 AromaticContact CE1-NE2 3.88Å; H412-H416 AromaticContact NE2-CD2 3.97Å; H412-H416 AromaticContact NE2-CE1 3.78Å; H412-H416 AromaticContact NE2-NE2 2.95Å; H412-H416 PolarHBondContact NE2-NE2 3.32Å; H412-H416 PolarHBondContact O-CD2 2.72Å; R413-H416 PolarHBondContact O-N 2.86Å; H416-G418 PolarHBondContact O-N 2.62Å; H416-M419 PolarHBondContact O-N 3.34Å
417	S	45.1	Very low	52.9	Low	95 Å²	95	91.5 Å²	91.5	66%	0.664	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	95	176.7	50.3	0	0	0	0	110.9	R413 K414	R413-S417 PolarHBondContact O-N 3.49Å; K414-S417 WeakPolarHBondContact CA-OG 3.42Å; K414-S417 PolarHBondContact O-OG 3Å
418	G	47.7	Very low	52.5	Low	83 Å²	83	87.9 Å²	87.9	86%	0.856	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.1	-13	-174.9	0	0	0	0	0	114	H416	H416-G418 PolarHBondContact O-N 2.62Å
419	M	45.7	Very low	52.1	Low	105 Å²	105	92.4 Å²	92.4	52%	0.517	49%	0.492	S	S	.	.			trans	-91.9	125.8	-179.5	-63.1	-167.5	176.7	0	0	112	M415 H416 T421 L432	M415-M419 WeakPolarHBondContact O-CE 3.3Å; H416-M419 PolarHBondContact O-N 3.34Å; M419-T421 PolarHBondContact O-N 2.94Å; M419-L432 HydrophobicContact SD-CD2 4.36Å
420	K	44.6	Very low	51.2	Low	176 Å²	176	93.5 Å²	93.5	77%	0.765	50%	0.5	S	S	*	.			trans	-67.3	115.3	170.3	-74.5	-174.4	177	179.6	0	109.9
421	T	52.9	Low	51.2	Low	75 Å²	75	92.4 Å²	92.4	46%	0.46	50%	0.495	S	S	.	.			trans	-88.2	138.5	174.8	46.6	0	0	0	0	111.1	V398 M419 L432	V398-T421 HydrophobicContact CG1-CG2 3.89Å; M419-T421 PolarHBondContact O-N 2.94Å; T421-L432 HydrophobicContact CG2-CD2 4.22Å
422	Y	54.1	Low	50.7	Low	99 Å²	99	89.6 Å²	89.6	39%	0.388	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.3	178.7	-64.6	-90.5	0	0	0	108.9	F431 S434	Y422-F431 PolarHBondContact N-O 3.25Å; Y422-F431 PolarHBondContact O-N 3.29Å; Y422-S434 VanDerWaalsContact CD2-N 3.35Å
423	S	44.1	Very low	50.4	Low	77 Å²	77	90.1 Å²	90.1	54%	0.538	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	140.1	-179.4	42.8	0	0	0	0	112.7
424	C	57	Low	49.9	Very low	1 Å²	1	85.5 Å²	85.5	1%	0.007	48%	0.477	C	S	.	.			trans	-85.6	110.2	169.6	-175.8	0	0	0	0	110.7	L426 C427 G428 K429 F431 L437 H440	C424-L426 PolarHBondContact O-N 2.83Å; C424-C427 PolarHBondContact O-N 3.35Å; C424-G428 WeakPolarHBondContact O-CA 3.48Å; C424-G428 PolarHBondContact O-N 3.04Å; C424-K429 PolarHBondContact N-O 3.42Å; C424-F431 HydrophobicContact CB-CE2 4.07Å; C424-L437 HydrophobicContact CB-CD1 3.53Å; C424-H440 PolarHBondContact SG-CD2 2.82Å; C424-H440 PolarHBondContact SG-NE2 3.37Å; C424-H440 VanDerWaalsContact SG-NE2 3.37Å
425	E	56.8	Low	49.5	Very low	193 Å²	193	81.4 Å²	81.4	90%	0.902	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.3	179.3	-64.4	171.6	-174.5	0	0	113
426	L	56.2	Low	49.4	Very low	117 Å²	117	81.4 Å²	81.4	61%	0.613	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.3	-179.5	-59.8	177.5	0	0	0	114.6	C424 L441 H444	C424-L426 PolarHBondContact O-N 2.83Å; L426-L441 HydrophobicContact CD1-CD2 4.07Å; L426-H444 HydrophobicContact CD1-CB 3.8Å
427	C	56.8	Low	49.5	Very low	56 Å²	56	81.5 Å²	81.5	38%	0.378	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155	6.3	-177.7	76.3	0	0	0	0	116.6	C424 K429 H440	C424-C427 PolarHBondContact O-N 3.35Å; C427-K429 PolarHBondContact O-N 3.01Å; C427-K429 VanDerWaalsContact SG-CG 3.6Å; C427-H440 PolarHBondContact SG-NE2 3.44Å
428	G	49	Very low	49.8	Very low	64 Å²	64	84.3 Å²	84.3	66%	0.66	45%	0.451	S	S	*	.			trans	72.6	-2.1	178.2	0	0	0	0	0	116.4	C424 S430	C424-G428 WeakPolarHBondContact O-CA 3.48Å; C424-G428 PolarHBondContact O-N 3.04Å; G428-S430 PolarHBondContact O-N 2.87Å
429	K	48	Very low	49.9	Very low	125 Å²	125	83.7 Å²	83.7	54%	0.543	43%	0.427	S	S	.	.			trans	-69	126.6	-179.1	-70	-179.4	-178	-176.9	0	111.6	C424 C427 F431	C424-K429 PolarHBondContact N-O 3.42Å; C427-K429 PolarHBondContact O-N 3.01Å; C427-K429 VanDerWaalsContact SG-CG 3.6Å; K429-F431 HydrophobicContact CB-CE2 3.61Å; K429-F431 HydrophobicContact CB-CZ 3.75Å; K429-F431 HydrophobicContact CD-CZ 4.37Å; K429-F431 WeakPolarHBondContact O-CD2 3.4Å; K429-F431 VanDerWaalsContact O-CE2 3.3Å; K429-F431 WeakPolarHBondContact O-CE2 3Å
430	S	40.7	Very low	50.4	Low	42 Å²	42	80 Å²	80	29%	0.294	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.2	173.3	53.7	0	0	0	0	111.9	V398 G428	V398-S430 PolarHBondContact O-OG 3.29Å; V398-S430 VanDerWaalsContact O-OG 3.13Å; G428-S430 PolarHBondContact O-N 2.87Å
431	F	55.7	Low	50.8	Low	42 Å²	42	75 Å²	75	18%	0.184	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.7	176.1	-60	-86.8	0	0	0	110.5	Y422 C424 K429 D433 R436 L437 H440	Y422-F431 PolarHBondContact N-O 3.25Å; Y422-F431 PolarHBondContact O-N 3.29Å; C424-F431 HydrophobicContact CB-CE2 4.07Å; K429-F431 HydrophobicContact CB-CE2 3.61Å; K429-F431 HydrophobicContact CB-CZ 3.75Å; K429-F431 HydrophobicContact CD-CZ 4.37Å; K429-F431 WeakPolarHBondContact O-CD2 3.4Å; K429-F431 VanDerWaalsContact O-CE2 3.3Å; K429-F431 WeakPolarHBondContact O-CE2 3Å; F431-D433 PolarHBondContact O-N 2.97Å; F431-R436 HydrophobicContact CB-CB 4.1Å; F431-R436 HydrophobicContact CD1-CB 4Å; F431-R436 HydrophobicContact CG-CB 4.34Å; F431-L437 HydrophobicContact CB-CB 4.34Å; F431-L437 HydrophobicContact CD2-CB 4.09Å; F431-L437 HydrophobicContact CD2-CD1 3.99Å; F431-L437 HydrophobicContact CE2-CD1 4.22Å; F431-L437 HydrophobicContact CG-CB 4.41Å; F431-H440 HydrophobicContact CE1-CB 4.02Å; F431-H440 HydrophobicContact CE2-CB 3.96Å; F431-H440 AromaticContact CE2-CD2 3.4Å; F431-H440 VanDerWaalsContact CE2-CD2 3.4Å; F431-H440 WeakPolarHBondContact CE2-CD2 3.37Å; F431-H440 AromaticContact CE2-CG 3.79Å; F431-H440 HydrophobicContact CZ-CB 3.53Å; F431-H440 AromaticContact CZ-CD2 3.44Å; F431-H440 VanDerWaalsContact CZ-CD2 3.44Å; F431-H440 WeakPolarHBondContact CZ-CD2 3.48Å; F431-H440 AromaticContact CZ-CG 3.37Å
432	L	44.4	Very low	50.9	Low	54 Å²	54	76.5 Å²	76.5	28%	0.283	40%	0.395	S	S	.	.	S	Bend	trans	-76.7	1.8	178.6	-61.2	169.1	0	0	0	113.8	V398 C399 M419 T421	V398-L432 HydrophobicContact CG1-CD2 4.04Å; C399-L432 HydrophobicContact CB-CD1 4.29Å; M419-L432 HydrophobicContact SD-CD2 4.36Å; T421-L432 HydrophobicContact CG2-CD2 4.22Å
433	D	49.3	Very low	50.9	Low	63 Å²	63	74 Å²	74	34%	0.337	39%	0.391	S	S	.	.	S	Bend	trans	-154.6	134.2	-174.7	176.7	6	0	0	0	110.5	F431 L435 R436 L437	F431-D433 PolarHBondContact O-N 2.97Å; D433-L435 PolarHBondContact O-N 3.03Å; D433-L435 PolarHBondContact OD1-N 2.99Å; D433-L435 WeakPolarHBondContact OD2-CB 3.1Å; D433-R436 HydrophobicContact CB-CB 4.32Å; D433-R436 HydrophobicContact CB-CG 4.21Å; D433-R436 WeakPolarHBondContact O-CB 3.38Å; D433-R436 PolarHBondContact O-N 3.19Å; D433-R436 VanDerWaalsContact O-N 3.1Å; D433-L437 PolarHBondContact O-N 2.89Å
434	S	44.8	Very low	51.6	Low	43 Å²	43	74.2 Å²	74.2	30%	0.301	38%	0.384	S	S	.	.	H	α-helix	trans	-54.6	-32.4	172.5	71.4	0	0	0	0	113.6	Y422 R438	Y422-S434 VanDerWaalsContact CD2-N 3.35Å; S434-R438 WeakPolarHBondContact O-CB 3.5Å; S434-R438 PolarHBondContact O-N 3.23Å
435	L	46.9	Very low	51.4	Low	50 Å²	50	78.5 Å²	78.5	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-71	-38.4	177.1	-179.1	62.6	0	0	0	111.3	D433 R438 M439 L484	D433-L435 PolarHBondContact O-N 3.03Å; D433-L435 PolarHBondContact OD1-N 2.99Å; D433-L435 WeakPolarHBondContact OD2-CB 3.1Å; L435-R438 PolarHBondContact O-N 3.3Å; L435-M439 WeakPolarHBondContact O-CG 3.27Å; L435-M439 PolarHBondContact O-N 3.1Å; L435-L484 HydrophobicContact CD2-CD2 3.76Å
436	R	49.2	Very low	51.1	Low	125 Å²	125	71 Å²	71	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-41.5	173.8	-72.1	178.8	169.3	167.2	-5.1	111.4	F431 D433 M439 H440	F431-R436 HydrophobicContact CB-CB 4.1Å; F431-R436 HydrophobicContact CD1-CB 4Å; F431-R436 HydrophobicContact CG-CB 4.34Å; D433-R436 HydrophobicContact CB-CB 4.32Å; D433-R436 HydrophobicContact CB-CG 4.21Å; D433-R436 WeakPolarHBondContact O-CB 3.38Å; D433-R436 PolarHBondContact O-N 3.19Å; D433-R436 VanDerWaalsContact O-N 3.1Å; R436-M439 PolarHBondContact O-N 3.18Å; R436-H440 WeakPolarHBondContact O-CB 3.47Å; R436-H440 PolarHBondContact O-N 2.93Å
437	L	51.2	Low	50.6	Low	26 Å²	26	68.5 Å²	68.5	14%	0.136	39%	0.387	C	S	.	.	H	α-helix	trans	-58.6	-47.3	170.1	173.4	58.9	0	0	0	111	C424 F431 D433 M439 H440 L441	C424-L437 HydrophobicContact CB-CD1 3.53Å; F431-L437 HydrophobicContact CB-CB 4.34Å; F431-L437 HydrophobicContact CD2-CB 4.09Å; F431-L437 HydrophobicContact CD2-CD1 3.99Å; F431-L437 HydrophobicContact CE2-CD1 4.22Å; F431-L437 HydrophobicContact CG-CB 4.41Å; D433-L437 PolarHBondContact O-N 2.89Å; L437-M439 PolarHBondContact O-N 2.9Å; L437-H440 CarbonylContact O-C 3.28Å; L437-H440 PolarHBondContact O-N 3.34Å; L437-H440 VanDerWaalsContact O-N 3.1Å; L437-L441 HydrophobicContact CD1-CD1 4.15Å; L437-L441 HydrophobicContact CD1-CD2 4.48Å; L437-L441 HydrophobicContact CD1-CG 4.03Å; L437-L441 HydrophobicContact CG-CD1 4.04Å; L437-L441 HydrophobicContact CG-CG 4.39Å; L437-L441 WeakPolarHBondContact O-CG 3.41Å; L437-L441 PolarHBondContact O-N 3.39Å
438	R	51.2	Low	50.2	Low	155 Å²	155	74.3 Å²	74.3	59%	0.585	41%	0.408	S	S	*	.	H	α-helix	trans	-61.7	-42.1	179.2	-166.2	179.8	-60.6	146.1	6	112.7	S434 L435 H440 L441 L442	S434-R438 WeakPolarHBondContact O-CB 3.5Å; S434-R438 PolarHBondContact O-N 3.23Å; L435-R438 PolarHBondContact O-N 3.3Å; R438-H440 VanDerWaalsContact C-N 3.33Å; R438-L441 PolarHBondContact O-N 3.46Å; R438-L442 PolarHBondContact O-N 2.75Å
439	M	48.3	Very low	50.3	Low	70 Å²	70	79.5 Å²	79.5	35%	0.345	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-37.9	172.7	-74.5	177.3	62.7	0	0	112.1	L435 R436 L437 L442 L483	L435-M439 WeakPolarHBondContact O-CG 3.27Å; L435-M439 PolarHBondContact O-N 3.1Å; R436-M439 PolarHBondContact O-N 3.18Å; L437-M439 PolarHBondContact O-N 2.9Å; M439-L442 WeakPolarHBondContact O-CB 3.31Å; M439-L442 PolarHBondContact O-N 3.12Å; M439-L483 HydrophobicContact CE-CD2 4.17Å; M439-L483 HydrophobicContact SD-CD2 4.42Å
440	H	57.8	Low	50.6	Low	26 Å²	26	75.4 Å²	75.4	12%	0.12	40%	0.402	C	S	.	.	H	α-helix	trans	-69.7	-37.5	175	172.9	51	0	0	0	112.4	C424 C427 F431 R436 L437 R438 L442 S443 H444	C424-H440 PolarHBondContact SG-CD2 2.82Å; C424-H440 PolarHBondContact SG-NE2 3.37Å; C424-H440 VanDerWaalsContact SG-NE2 3.37Å; C427-H440 PolarHBondContact SG-NE2 3.44Å; F431-H440 HydrophobicContact CE1-CB 4.02Å; F431-H440 HydrophobicContact CE2-CB 3.96Å; F431-H440 AromaticContact CE2-CD2 3.4Å; F431-H440 VanDerWaalsContact CE2-CD2 3.4Å; F431-H440 WeakPolarHBondContact CE2-CD2 3.37Å; F431-H440 AromaticContact CE2-CG 3.79Å; F431-H440 HydrophobicContact CZ-CB 3.53Å; F431-H440 AromaticContact CZ-CD2 3.44Å; F431-H440 VanDerWaalsContact CZ-CD2 3.44Å; F431-H440 WeakPolarHBondContact CZ-CD2 3.48Å; F431-H440 AromaticContact CZ-CG 3.37Å; R436-H440 WeakPolarHBondContact O-CB 3.47Å; R436-H440 PolarHBondContact O-N 2.93Å; L437-H440 CarbonylContact O-C 3.28Å; L437-H440 PolarHBondContact O-N 3.34Å; L437-H440 VanDerWaalsContact O-N 3.1Å; R438-H440 VanDerWaalsContact C-N 3.33Å; H440-L442 PolarHBondContact O-N 3.3Å; H440-S443 PolarHBondContact CE1-OG 3.13Å; H440-S443 PolarHBondContact ND1-OG 3.2Å; H440-S443 WeakPolarHBondContact O-CA 3.37Å; H440-S443 WeakPolarHBondContact O-CB 3.28Å; H440-S443 PolarHBondContact O-N 3.14Å; H440-S443 PolarHBondContact O-OG 3.41Å; H440-H444 AromaticContact CE1-CD2 3.87Å; H440-H444 AromaticContact CE1-NE2 3.27Å; H440-H444 PolarHBondContact CE1-NE2 2.82Å; H440-H444 VanDerWaalsContact CE1-NE2 3.27Å; H440-H444 AromaticContact NE2-CD2 3.74Å; H440-H444 AromaticContact NE2-NE2 3.02Å; H440-H444 PolarHBondContact NE2-NE2 2.89Å
441	L	52.8	Low	51.6	Low	71 Å²	71	76.3 Å²	76.3	37%	0.372	40%	0.403	S	S	.	.	H	α-helix	trans	-59.8	-31.4	174.8	-70.8	168.3	0	0	0	112.2	L426 L437 R438 S443 H444 S445	L426-L441 HydrophobicContact CD1-CD2 4.07Å; L437-L441 HydrophobicContact CD1-CD1 4.15Å; L437-L441 HydrophobicContact CD1-CD2 4.48Å; L437-L441 HydrophobicContact CD1-CG 4.03Å; L437-L441 HydrophobicContact CG-CD1 4.04Å; L437-L441 HydrophobicContact CG-CG 4.39Å; L437-L441 WeakPolarHBondContact O-CG 3.41Å; L437-L441 PolarHBondContact O-N 3.39Å; R438-L441 PolarHBondContact O-N 3.46Å; L441-S443 PolarHBondContact O-N 3.24Å; L441-H444 PolarHBondContact O-N 2.82Å; L441-H444 VanDerWaalsContact O-N 3.12Å; L441-S445 PolarHBondContact O-N 2.98Å
442	L	54.8	Low	51.7	Low	108 Å²	108	76.5 Å²	76.5	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-61.6	-29.8	171.3	-63.5	173.6	0	0	0	113.1	R438 M439 H440 H444 S445 A446	R438-L442 PolarHBondContact O-N 2.75Å; M439-L442 WeakPolarHBondContact O-CB 3.31Å; M439-L442 PolarHBondContact O-N 3.12Å; H440-L442 PolarHBondContact O-N 3.3Å; L442-H444 VanDerWaalsContact C-N 3.27Å; L442-H444 PolarHBondContact O-N 3.49Å; L442-S445 WeakPolarHBondContact CA-OG 3.46Å; L442-S445 PolarHBondContact O-N 3.09Å; L442-S445 VanDerWaalsContact O-N 3.13Å; L442-S445 PolarHBondContact O-OG 3.06Å; L442-A446 PolarHBondContact O-N 2.89Å; L442-A446 VanDerWaalsContact O-N 3.14Å
443	S	53.6	Low	52.7	Low	45 Å²	45	74.1 Å²	74.1	32%	0.315	40%	0.395	S	S	.	.	H	α-helix	trans	-70.1	-18.9	175.8	69.4	0	0	0	0	114.2	H440 L441	H440-S443 PolarHBondContact CE1-OG 3.13Å; H440-S443 PolarHBondContact ND1-OG 3.2Å; H440-S443 WeakPolarHBondContact O-CA 3.37Å; H440-S443 WeakPolarHBondContact O-CB 3.28Å; H440-S443 PolarHBondContact O-N 3.14Å; H440-S443 PolarHBondContact O-OG 3.41Å; L441-S443 PolarHBondContact O-N 3.24Å
444	H	58.4	Low	52.8	Low	83 Å²	83	76.1 Å²	76.1	38%	0.384	41%	0.406	S	S	.	.	H	α-helix	trans	-83.8	-23.4	169.3	-65.3	-77.1	0	0	0	112.6	L426 H440 L441 L442	L426-H444 HydrophobicContact CD1-CB 3.8Å; H440-H444 AromaticContact CE1-CD2 3.87Å; H440-H444 AromaticContact CE1-NE2 3.27Å; H440-H444 PolarHBondContact CE1-NE2 2.82Å; H440-H444 VanDerWaalsContact CE1-NE2 3.27Å; H440-H444 AromaticContact NE2-CD2 3.74Å; H440-H444 AromaticContact NE2-NE2 3.02Å; H440-H444 PolarHBondContact NE2-NE2 2.89Å; L441-H444 PolarHBondContact O-N 2.82Å; L441-H444 VanDerWaalsContact O-N 3.12Å; L442-H444 VanDerWaalsContact C-N 3.27Å; L442-H444 PolarHBondContact O-N 3.49Å
445	S	54.4	Low	53	Low	91 Å²	91	79.2 Å²	79.2	64%	0.636	42%	0.416	S	S	*	.	H	α-helix	trans	-86.4	-14.1	177.2	71.2	0	0	0	0	114.3	L441 L442	L441-S445 PolarHBondContact O-N 2.98Å; L442-S445 WeakPolarHBondContact CA-OG 3.46Å; L442-S445 PolarHBondContact O-N 3.09Å; L442-S445 VanDerWaalsContact O-N 3.13Å; L442-S445 PolarHBondContact O-OG 3.06Å
446	A	48.9	Very low	53.2	Low	35 Å²	35	77.6 Å²	77.6	29%	0.289	41%	0.408	S	S	.	.	S	Bend	trans	-81.9	120.8	178.5	0	0	0	0	0	110.3	L442 A450	L442-A446 PolarHBondContact O-N 2.89Å; L442-A446 VanDerWaalsContact O-N 3.14Å; A446-A450 HydrophobicContact CB-CB 4.46Å
447	G	47.4	Very low	53.4	Low	64 Å²	64	73.1 Å²	73.1	66%	0.66	40%	0.401	S	S	*	.			trans	-57.2	155.6	174.8	0	0	0	0	0	112.9
448	E	48.2	Very low	53.6	Low	178 Å²	178	73.6 Å²	73.6	83%	0.832	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	138.6	-169.2	-55.9	179.3	144	0	0	114.4
449	K	50.2	Low	53.8	Low	174 Å²	174	72.4 Å²	72.4	76%	0.757	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	15.3	173.5	-50.5	157.1	-172.8	167	0	117.4
450	A	55.2	Low	54.6	Low	38 Å²	38	71 Å²	71	31%	0.314	40%	0.402	S	S	.	.			trans	-92.2	99.1	159	0	0	0	0	0	110.4	A446 V452	A446-A450 HydrophobicContact CB-CB 4.46Å; A450-V452 PolarHBondContact O-N 2.84Å
451	I	60.5	Low	54.7	Low	62 Å²	62	78.2 Å²	78.2	32%	0.318	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.4	175.9	-43.2	-178.3	0	0	0	108.3	F460 E463 L466	I451-F460 PolarHBondContact N-O 2.84Å; I451-F460 PolarHBondContact O-N 3.3Å; I451-E463 HydrophobicContact CD1-CB 3.96Å; I451-L466 HydrophobicContact CG2-CD2 3.54Å
452	V	57.5	Low	55.3	Low	46 Å²	46	78.1 Å²	78.1	28%	0.279	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133	-172.6	-167.7	0	0	0	0	110.6	A450 D454 A458 Q459	A450-V452 PolarHBondContact O-N 2.84Å; V452-D454 PolarHBondContact O-N 2.77Å; V452-A458 WeakPolarHBondContact CA-O 3.5Å; V452-Q459 HydrophobicContact CG2-CG 4.28Å
453	C	65.3	Low	55.8	Low	3 Å²	3	80 Å²	80	2%	0.02	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-68.4	122.1	171.3	177.6	0	0	0	0	111.2	Q455 C456 G457 A458 F460 L466	C453-Q455 VanDerWaalsContact C-N 3.25Å; C453-Q455 PolarHBondContact O-N 2.9Å; C453-Q455 PolarHBondContact SG-N 3.22Å; C453-Q455 VanDerWaalsContact SG-N 3.4Å; C453-C456 WeakPolarHBondContact CB-SG 3.48Å; C453-C456 PolarHBondContact O-N 3.05Å; C453-G457 WeakPolarHBondContact O-CA 3.43Å; C453-G457 PolarHBondContact O-N 3.37Å; C453-A458 PolarHBondContact N-O 3.27Å; C453-F460 HydrophobicContact CB-CE2 4.11Å; C453-L466 HydrophobicContact CB-CD1 3.48Å; C453-L466 VanDerWaalsContact CB-CD1 3.48Å
454	D	52.2	Low	56.7	Low	106 Å²	106	85.7 Å²	85.7	57%	0.567	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-37.3	172.3	52.2	-16.5	0	0	0	114.4	V452 R470	V452-D454 PolarHBondContact O-N 2.77Å; D454-R470 IonicContact OD1-NE 3.07Å; D454-R470 IonicContact OD2-NH2 3.37Å
455	Q	49.5	Very low	57.1	Low	107 Å²	107	83.8 Å²	83.8	50%	0.5	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-20.6	-172.1	-63.2	177.7	37.9	0	0	114.3	C453 H473	C453-Q455 VanDerWaalsContact C-N 3.25Å; C453-Q455 PolarHBondContact O-N 2.9Å; C453-Q455 PolarHBondContact SG-N 3.22Å; C453-Q455 VanDerWaalsContact SG-N 3.4Å; Q455-H473 VanDerWaalsContact OE1-CB 3.26Å
456	C	51.1	Low	57.6	Low	16 Å²	16	80.3 Å²	80.3	11%	0.108	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-13.3	-172.3	79.7	0	0	0	0	115.9	C453 A458 H469 F481	C453-C456 WeakPolarHBondContact CB-SG 3.48Å; C453-C456 PolarHBondContact O-N 3.05Å; C456-A458 VanDerWaalsContact C-N 3.27Å; C456-A458 PolarHBondContact O-N 3.43Å; C456-A458 WeakPolarHBondContact SG-CB 3.39Å; C456-A458 PolarHBondContact SG-N 3.15Å; C456-H469 PolarHBondContact SG-NE2 2.91Å; C456-F481 HydrophobicContact CB-CE1 3.63Å; C456-F481 HydrophobicContact CB-CZ 3.57Å
457	G	52.3	Low	58.2	Low	31 Å²	31	82 Å²	82	32%	0.32	44%	0.438	S	S	.	.			trans	75.3	3.6	-176.9	0	0	0	0	0	115.6	C453	C453-G457 WeakPolarHBondContact O-CA 3.43Å; C453-G457 PolarHBondContact O-N 3.37Å
458	A	55.2	Low	59.1	Low	37 Å²	37	82.2 Å²	82.2	31%	0.306	43%	0.433	S	S	.	.			trans	-67.8	140.5	174.9	0	0	0	0	0	111.1	V452 C453 C456 F460	V452-A458 WeakPolarHBondContact CA-O 3.5Å; C453-A458 PolarHBondContact N-O 3.27Å; C456-A458 VanDerWaalsContact C-N 3.27Å; C456-A458 PolarHBondContact O-N 3.43Å; C456-A458 WeakPolarHBondContact SG-CB 3.39Å; C456-A458 PolarHBondContact SG-N 3.15Å; A458-F460 HydrophobicContact CB-CE2 3.67Å; A458-F460 HydrophobicContact CB-CZ 3.93Å; A458-F460 WeakPolarHBondContact O-CD2 3.44Å
459	Q	56.4	Low	60	Low	130 Å²	130	75.2 Å²	75.2	61%	0.607	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.9	-176.8	-61.3	-176.2	-21.3	0	0	110.9	V452	V452-Q459 HydrophobicContact CG2-CG 4.28Å
460	F	65.4	Low	60.5	Low	39 Å²	39	71 Å²	71	17%	0.171	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.1	-177.1	-65.2	-80.5	0	0	0	110.5	I451 C453 A458 L466 H469	I451-F460 PolarHBondContact N-O 2.84Å; I451-F460 PolarHBondContact O-N 3.3Å; C453-F460 HydrophobicContact CB-CE2 4.11Å; A458-F460 HydrophobicContact CB-CE2 3.67Å; A458-F460 HydrophobicContact CB-CZ 3.93Å; A458-F460 WeakPolarHBondContact O-CD2 3.44Å; F460-L466 HydrophobicContact CB-CB 4.15Å; F460-L466 HydrophobicContact CD2-CB 4.04Å; F460-L466 HydrophobicContact CD2-CD1 3.85Å; F460-L466 HydrophobicContact CE2-CD1 4.07Å; F460-L466 HydrophobicContact CG-CB 4.13Å; F460-H469 HydrophobicContact CE1-CB 3.91Å; F460-H469 HydrophobicContact CE2-CB 4.05Å; F460-H469 AromaticContact CE2-CD2 3.64Å; F460-H469 AromaticContact CE2-CG 3.8Å; F460-H469 HydrophobicContact CZ-CB 3.48Å; F460-H469 VanDerWaalsContact CZ-CB 3.48Å; F460-H469 AromaticContact CZ-CD2 3.62Å; F460-H469 AromaticContact CZ-CG 3.31Å; F460-H469 AromaticContact CZ-ND1 3.76Å
461	Q	60.1	Low	60.8	Low	178 Å²	178	74.1 Å²	74.1	83%	0.832	39%	0.388	S	S	*	.	S	Bend	trans	-93.1	-15.1	-179.5	-65.6	-178.6	-3.8	0	0	113
462	T	64.6	Low	60.6	Low	70 Å²	70	75 Å²	75	43%	0.429	39%	0.393	S	S	.	.	S	Bend	trans	-138.4	147.8	177.9	66.3	0	0	0	0	111	E464 S465 L466	T462-E464 VanDerWaalsContact C-N 3.32Å; T462-E464 PolarHBondContact O-N 3.34Å; T462-S465 PolarHBondContact O-N 2.98Å; T462-S465 VanDerWaalsContact O-N 3.14Å; T462-S465 PolarHBondContact O-OG 3.02Å; T462-S465 WeakPolarHBondContact OG1-CB 3.41Å; T462-S465 PolarHBondContact OG1-N 3Å; T462-S465 PolarHBondContact OG1-OG 2.86Å; T462-S465 VanDerWaalsContact OG1-OG 3.13Å; T462-L466 PolarHBondContact O-N 3.08Å
463	E	66.5	Low	60.2	Low	147 Å²	147	75.5 Å²	75.5	69%	0.687	39%	0.392	S	S	*	.	H	α-helix	trans	-64.4	-37	-178.4	-169.1	166.7	-165	0	0	111.9	I451 S465 L466 E467	I451-E463 HydrophobicContact CD1-CB 3.96Å; E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 2.88Å; E463-L466 WeakPolarHBondContact O-CB 3.45Å; E463-L466 PolarHBondContact O-N 3.25Å; E463-L466 VanDerWaalsContact O-N 3.16Å; E463-E467 PolarHBondContact O-N 3.14Å
464	E	71.9	Confident	59.5	Low	165 Å²	165	79.9 Å²	79.9	77%	0.771	42%	0.419	S	S	*	.	H	α-helix	trans	-56.6	-40	172.4	-60.2	178.1	148.2	0	0	112.7	T462 E467 A468	T462-E464 VanDerWaalsContact C-N 3.32Å; T462-E464 PolarHBondContact O-N 3.34Å; E464-E467 PolarHBondContact O-N 3.41Å; E464-A468 VanDerWaalsContact O-CB 3.31Å; E464-A468 WeakPolarHBondContact O-CB 3.09Å; E464-A468 PolarHBondContact O-N 3.11Å
465	S	66.8	Low	58.9	Low	42 Å²	42	76.5 Å²	76.5	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-75	-29.2	179.5	69.8	0	0	0	0	112.9	T462 E463 H469	T462-S465 PolarHBondContact O-N 2.98Å; T462-S465 VanDerWaalsContact O-N 3.14Å; T462-S465 PolarHBondContact O-OG 3.02Å; T462-S465 WeakPolarHBondContact OG1-CB 3.41Å; T462-S465 PolarHBondContact OG1-N 3Å; T462-S465 PolarHBondContact OG1-OG 2.86Å; T462-S465 VanDerWaalsContact OG1-OG 3.13Å; E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 2.88Å; S465-H469 WeakPolarHBondContact O-CB 3.45Å; S465-H469 PolarHBondContact O-N 3.28Å
466	L	65	Low	58.7	Low	18 Å²	18	77.8 Å²	77.8	9%	0.094	43%	0.43	C	S	.	.	H	α-helix	trans	-69	-45.6	167.1	170.1	61.7	0	0	0	110.8	I451 C453 F460 T462 E463 H469 R470	I451-L466 HydrophobicContact CG2-CD2 3.54Å; C453-L466 HydrophobicContact CB-CD1 3.48Å; C453-L466 VanDerWaalsContact CB-CD1 3.48Å; F460-L466 HydrophobicContact CB-CB 4.15Å; F460-L466 HydrophobicContact CD2-CB 4.04Å; F460-L466 HydrophobicContact CD2-CD1 3.85Å; F460-L466 HydrophobicContact CE2-CD1 4.07Å; F460-L466 HydrophobicContact CG-CB 4.13Å; T462-L466 PolarHBondContact O-N 3.08Å; E463-L466 WeakPolarHBondContact O-CB 3.45Å; E463-L466 PolarHBondContact O-N 3.25Å; E463-L466 VanDerWaalsContact O-N 3.16Å; L466-H469 CarbonylContact O-C 3.46Å; L466-H469 WeakPolarHBondContact O-CA 3.31Å; L466-H469 VanDerWaalsContact O-CB 3.3Å; L466-H469 WeakPolarHBondContact O-CB 3.39Å; L466-H469 PolarHBondContact O-N 2.97Å; L466-R470 HydrophobicContact CD1-CG 3.94Å; L466-R470 HydrophobicContact CG-CG 4.27Å; L466-R470 WeakPolarHBondContact O-CG 3.41Å; L466-R470 PolarHBondContact O-N 2.9Å
467	E	62	Low	58.1	Low	72 Å²	72	83 Å²	83	34%	0.336	46%	0.457	S	S	.	.	H	α-helix	trans	-68.8	-41.8	-175.2	-167.7	50	-129.1	0	0	111.3	E463 E464 H469 R470 Q471	E463-E467 PolarHBondContact O-N 3.14Å; E464-E467 PolarHBondContact O-N 3.41Å; E467-H469 PolarHBondContact O-N 2.89Å; E467-R470 PolarHBondContact O-N 3.44Å; E467-R470 WeakPolarHBondContact OE2-CD 3.45Å; E467-R470 IonicContact OE2-CZ 3.86Å; E467-R470 IonicContact OE2-NH1 3.92Å; E467-R470 PolarHBondContact OE2-NH1 3.39Å; E467-Q471 WeakPolarHBondContact O-CG 3.3Å; E467-Q471 PolarHBondContact O-N 3.02Å; E467-Q471 PolarHBondContact OE1-NE2 2.84Å
468	A	65.3	Low	57.6	Low	67 Å²	67	86.6 Å²	86.6	55%	0.554	47%	0.466	S	S	*	.	H	α-helix	trans	-58.2	-31.3	168.7	0	0	0	0	0	112.9	E464	E464-A468 VanDerWaalsContact O-CB 3.31Å; E464-A468 WeakPolarHBondContact O-CB 3.09Å; E464-A468 PolarHBondContact O-N 3.11Å
469	H	66.1	Low	56.9	Low	32 Å²	32	85.9 Å²	85.9	15%	0.148	46%	0.46	C	S	.	.	H	α-helix	trans	-74.9	-36.2	171.9	175.8	74.4	0	0	0	113	C456 F460 S465 L466 E467 Q471 I472 H473	C456-H469 PolarHBondContact SG-NE2 2.91Å; F460-H469 HydrophobicContact CE1-CB 3.91Å; F460-H469 HydrophobicContact CE2-CB 4.05Å; F460-H469 AromaticContact CE2-CD2 3.64Å; F460-H469 AromaticContact CE2-CG 3.8Å; F460-H469 HydrophobicContact CZ-CB 3.48Å; F460-H469 VanDerWaalsContact CZ-CB 3.48Å; F460-H469 AromaticContact CZ-CD2 3.62Å; F460-H469 AromaticContact CZ-CG 3.31Å; F460-H469 AromaticContact CZ-ND1 3.76Å; S465-H469 WeakPolarHBondContact O-CB 3.45Å; S465-H469 PolarHBondContact O-N 3.28Å; L466-H469 CarbonylContact O-C 3.46Å; L466-H469 WeakPolarHBondContact O-CA 3.31Å; L466-H469 VanDerWaalsContact O-CB 3.3Å; L466-H469 WeakPolarHBondContact O-CB 3.39Å; L466-H469 PolarHBondContact O-N 2.97Å; E467-H469 PolarHBondContact O-N 2.89Å; H469-Q471 PolarHBondContact O-N 2.97Å; H469-I472 WeakPolarHBondContact O-CA 3.32Å; H469-I472 WeakPolarHBondContact O-CB 3.33Å; H469-I472 WeakPolarHBondContact O-CG1 3.14Å; H469-I472 PolarHBondContact O-N 2.67Å; H469-H473 AromaticContact NE2-NE2 3.94Å
470	R	61.6	Low	56.7	Low	85 Å²	85	81.3 Å²	81.3	32%	0.321	44%	0.439	S	S	.	.	H	α-helix	trans	-65.4	-28.8	175	-69.2	169.1	91	-139.5	9.2	111.7	D454 L466 E467 I472 H473 T474	D454-R470 IonicContact OD1-NE 3.07Å; D454-R470 IonicContact OD2-NH2 3.37Å; L466-R470 HydrophobicContact CD1-CG 3.94Å; L466-R470 HydrophobicContact CG-CG 4.27Å; L466-R470 WeakPolarHBondContact O-CG 3.41Å; L466-R470 PolarHBondContact O-N 2.9Å; E467-R470 PolarHBondContact O-N 3.44Å; E467-R470 WeakPolarHBondContact OE2-CD 3.45Å; E467-R470 IonicContact OE2-CZ 3.86Å; E467-R470 IonicContact OE2-NH1 3.92Å; E467-R470 PolarHBondContact OE2-NH1 3.39Å; R470-I472 PolarHBondContact O-N 3.07Å; R470-H473 WeakPolarHBondContact O-CA 3.28Å; R470-H473 WeakPolarHBondContact O-CB 3.41Å; R470-H473 PolarHBondContact O-N 3.49Å; R470-T474 PolarHBondContact O-N 3.21Å; R470-T474 VanDerWaalsContact O-N 3.09Å
471	Q	61.5	Low	55.8	Low	103 Å²	103	81.9 Å²	81.9	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-14.8	169.4	-57.6	-49.4	-47.4	0	0	114.2	E467 H469 H473 T474 G475	E467-Q471 WeakPolarHBondContact O-CG 3.3Å; E467-Q471 PolarHBondContact O-N 3.02Å; E467-Q471 PolarHBondContact OE1-NE2 2.84Å; H469-Q471 PolarHBondContact O-N 2.97Å; Q471-H473 VanDerWaalsContact C-N 3.33Å; Q471-T474 WeakPolarHBondContact CA-OG1 3.23Å; Q471-T474 PolarHBondContact OE1-OG1 3.45Å; Q471-G475 PolarHBondContact O-N 3.22Å; Q471-G475 VanDerWaalsContact O-N 3.13Å
472	I	56.1	Low	55.1	Low	82 Å²	82	73.4 Å²	73.4	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-80.1	-16.9	170	-47.7	175.1	0	0	0	111.3	H469 R470	H469-I472 WeakPolarHBondContact O-CA 3.32Å; H469-I472 WeakPolarHBondContact O-CB 3.33Å; H469-I472 WeakPolarHBondContact O-CG1 3.14Å; H469-I472 PolarHBondContact O-N 2.67Å; R470-I472 PolarHBondContact O-N 3.07Å
473	H	50.3	Low	54.2	Low	55 Å²	55	73.3 Å²	73.3	26%	0.255	40%	0.399	S	S	.	.	H	α-helix	trans	-95.6	-31.4	174.6	-59.6	-47.5	0	0	0	113.2	Q455 H469 R470 Q471 F481	Q455-H473 VanDerWaalsContact OE1-CB 3.26Å; H469-H473 AromaticContact NE2-NE2 3.94Å; R470-H473 WeakPolarHBondContact O-CA 3.28Å; R470-H473 WeakPolarHBondContact O-CB 3.41Å; R470-H473 PolarHBondContact O-N 3.49Å; Q471-H473 VanDerWaalsContact C-N 3.33Å; H473-F481 AromaticContact NE2-CE1 3.9Å
474	T	48.9	Very low	53	Low	96 Å²	96	70.5 Å²	70.5	59%	0.589	39%	0.388	S	S	*	.	H	α-helix	trans	-85.2	-22.8	176.4	58.3	0	0	0	0	113.2	R470 Q471	R470-T474 PolarHBondContact O-N 3.21Å; R470-T474 VanDerWaalsContact O-N 3.09Å; Q471-T474 WeakPolarHBondContact CA-OG1 3.23Å; Q471-T474 PolarHBondContact OE1-OG1 3.45Å
475	G	40.5	Very low	51.5	Low	35 Å²	35	65.3 Å²	65.3	36%	0.361	37%	0.37	S	S	.	.	S	Bend	trans	-67.4	149.2	176.1	0	0	0	0	0	113.3	Q471 D477	Q471-G475 PolarHBondContact O-N 3.22Å; Q471-G475 VanDerWaalsContact O-N 3.13Å; G475-D477 PolarHBondContact O-N 3.01Å
476	S	44.3	Very low	50.4	Low	134 Å²	134	65.9 Å²	65.9	94%	0.937	38%	0.382	S	S	*	.	S	Bend	trans	-73.1	9.5	-177.3	46.4	0	0	0	0	115.6
477	D	40.3	Very low	49.3	Very low	126 Å²	126	70.9 Å²	70.9	67%	0.674	40%	0.403	S	S	*	.	S	Bend	trans	-102.1	80	174.5	-167.7	10.2	0	0	0	109.6	G475 A479	G475-D477 PolarHBondContact O-N 3.01Å; D477-A479 PolarHBondContact O-N 3.21Å
478	M	41.7	Very low	48.6	Very low	106 Å²	106	74.6 Å²	74.6	52%	0.522	41%	0.414	S	S	.	.			trans	-74.8	63.2	-157.5	-158.4	-168.1	-65	0	0	113.7	I480 Q490	M478-I480 HydrophobicContact CG-CD1 3.47Å; M478-I480 VanDerWaalsContact CG-CD1 3.47Å; M478-I480 HydrophobicContact CG-CG1 3.94Å; M478-I480 PolarHBondContact O-N 3.27Å; M478-I480 HydrophobicContact SD-CD1 3.5Å; M478-I480 VanDerWaalsContact SD-CD1 3.5Å; M478-Q490 CarbonylContact O-C 3.39Å
479	A	39	Very low	48.2	Very low	22 Å²	22	73.6 Å²	73.6	18%	0.182	40%	0.397	C	S	.	.			trans	-76.6	49	-171	0	0	0	0	0	114.5	D477 R488 F489	D477-A479 PolarHBondContact O-N 3.21Å; A479-R488 VanDerWaalsContact CB-NH2 3.34Å; A479-R488 PolarHBondContact O-NE 2.82Å; A479-R488 PolarHBondContact O-NH2 2.86Å; A479-F489 CarbonylContact C-O 3.59Å; A479-F489 WeakPolarHBondContact CA-O 3.39Å
480	I	52.5	Low	47.3	Very low	33 Å²	33	80 Å²	80	17%	0.169	43%	0.427	C	S	.	.			trans	-55.4	134.7	178.9	-71.2	163.5	0	0	0	110.4	M478 R488 F489 Q492 L495	M478-I480 HydrophobicContact CG-CD1 3.47Å; M478-I480 VanDerWaalsContact CG-CD1 3.47Å; M478-I480 HydrophobicContact CG-CG1 3.94Å; M478-I480 PolarHBondContact O-N 3.27Å; M478-I480 HydrophobicContact SD-CD1 3.5Å; M478-I480 VanDerWaalsContact SD-CD1 3.5Å; I480-R488 CarbonylContact O-C 3.57Å; I480-F489 PolarHBondContact N-O 3.3Å; I480-F489 VanDerWaalsContact N-O 3.13Å; I480-F489 WeakPolarHBondContact O-CA 3.28Å; I480-F489 PolarHBondContact O-N 2.88Å; I480-F489 VanDerWaalsContact O-O 3.13Å; I480-Q492 HydrophobicContact CD1-CB 3.77Å; I480-L495 HydrophobicContact CG2-CB 3.62Å; I480-L495 HydrophobicContact CG2-CD2 3.28Å; I480-L495 HydrophobicContact CG2-CG 3.99Å
481	F	46.6	Very low	46.9	Very low	52 Å²	52	78.7 Å²	78.7	23%	0.228	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-129.6	152.8	-173.4	74.5	-79	0	0	0	112.7	C456 H473 L483 K487 R488	C456-F481 HydrophobicContact CB-CE1 3.63Å; C456-F481 HydrophobicContact CB-CZ 3.57Å; H473-F481 AromaticContact NE2-CE1 3.9Å; F481-L483 HydrophobicContact CE2-CD2 3.74Å; F481-L483 HydrophobicContact CE2-CG 4.37Å; F481-L483 HydrophobicContact CZ-CD2 3.8Å; F481-L483 PolarHBondContact O-N 3.19Å; F481-K487 CarbonylContact C-O 3.59Å; F481-K487 WeakPolarHBondContact CA-O 3.3Å; F481-K487 WeakPolarHBondContact CB-O 3.42Å; F481-R488 HydrophobicContact CB-CB 4.4Å; F481-R488 HydrophobicContact CB-CG 4Å
482	C	46.3	Very low	46.4	Very low	0 Å²	0	78.1 Å²	78.1	0%	0	43%	0.426	C	S	.	.			trans	-80.7	115.6	179.1	-175.6	0	0	0	0	111.4	L484 C485 G486 K487 F489 L495 H498	C482-L484 PolarHBondContact O-N 3.17Å; C482-L484 PolarHBondContact SG-N 3.19Å; C482-L484 VanDerWaalsContact SG-N 3.4Å; C482-C485 PolarHBondContact O-N 3.45Å; C482-G486 WeakPolarHBondContact O-CA 3.37Å; C482-G486 PolarHBondContact O-N 2.63Å; C482-K487 PolarHBondContact N-O 2.91Å; C482-F489 HydrophobicContact CB-CE2 4.18Å; C482-L495 HydrophobicContact CB-CD1 3.81Å; C482-H498 VanDerWaalsContact CB-CD2 3.44Å; C482-H498 WeakPolarHBondContact CB-CD2 3.43Å; C482-H498 WeakPolarHBondContact CB-NE2 3.4Å; C482-H498 PolarHBondContact SG-NE2 3.08Å
483	L	44.8	Very low	46.4	Very low	68 Å²	68	78.8 Å²	78.8	36%	0.356	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.1	174.5	-67.4	163.3	0	0	0	113	M439 F481	M439-L483 HydrophobicContact CE-CD2 4.17Å; M439-L483 HydrophobicContact SD-CD2 4.42Å; F481-L483 HydrophobicContact CE2-CD2 3.74Å; F481-L483 HydrophobicContact CE2-CG 4.37Å; F481-L483 HydrophobicContact CZ-CD2 3.8Å; F481-L483 PolarHBondContact O-N 3.19Å
484	L	41	Very low	46.7	Very low	87 Å²	87	77.7 Å²	77.7	46%	0.455	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-14.1	-178	-58.4	172.8	0	0	0	114.4	L435 C482 M499 H502	L435-L484 HydrophobicContact CD2-CD2 3.76Å; C482-L484 PolarHBondContact O-N 3.17Å; C482-L484 PolarHBondContact SG-N 3.19Å; C482-L484 VanDerWaalsContact SG-N 3.4Å; L484-M499 HydrophobicContact CD1-SD 4.26Å; L484-H502 VanDerWaalsContact CB-CE1 3.43Å; L484-H502 WeakPolarHBondContact CB-CE1 3.44Å; L484-H502 HydrophobicContact CD1-CB 3.58Å
485	C	41.3	Very low	47.1	Very low	57 Å²	57	73.9 Å²	73.9	39%	0.385	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.3	5.1	176.9	79.7	0	0	0	0	117.1	C482 K487 H498	C482-C485 PolarHBondContact O-N 3.45Å; C485-K487 PolarHBondContact O-N 3.37Å; C485-K487 VanDerWaalsContact SG-CG 3.6Å; C485-H498 PolarHBondContact SG-NE2 3.45Å
486	G	42.5	Very low	47.8	Very low	53 Å²	53	77.8 Å²	77.8	55%	0.546	42%	0.419	S	S	.	.			trans	73.6	-0.8	175.2	0	0	0	0	0	116.3	C482	C482-G486 WeakPolarHBondContact O-CA 3.37Å; C482-G486 PolarHBondContact O-N 2.63Å
487	K	42.1	Very low	48.3	Very low	123 Å²	123	74 Å²	74	54%	0.535	39%	0.387	S	S	.	.			trans	-69.1	135.4	178.4	-70.2	176.9	-172	170.8	0	111.2	F481 C482 C485 F489	F481-K487 CarbonylContact C-O 3.59Å; F481-K487 WeakPolarHBondContact CA-O 3.3Å; F481-K487 WeakPolarHBondContact CB-O 3.42Å; C482-K487 PolarHBondContact N-O 2.91Å; C485-K487 PolarHBondContact O-N 3.37Å; C485-K487 VanDerWaalsContact SG-CG 3.6Å; K487-F489 HydrophobicContact CB-CE2 3.63Å; K487-F489 HydrophobicContact CB-CZ 3.8Å; K487-F489 HydrophobicContact CD-CZ 4.37Å; K487-F489 WeakPolarHBondContact O-CD2 3.13Å; K487-F489 VanDerWaalsContact O-CE2 3.27Å; K487-F489 WeakPolarHBondContact O-CE2 3.13Å
488	R	48.3	Very low	49.1	Very low	150 Å²	150	68.8 Å²	68.8	57%	0.566	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-94.2	146.1	173.8	-48.7	-168.3	74.3	158.3	1.4	110.7	A479 I480 F481	A479-R488 VanDerWaalsContact CB-NH2 3.34Å; A479-R488 PolarHBondContact O-NE 2.82Å; A479-R488 PolarHBondContact O-NH2 2.86Å; I480-R488 CarbonylContact O-C 3.57Å; F481-R488 HydrophobicContact CB-CB 4.4Å; F481-R488 HydrophobicContact CB-CG 4Å
489	F	56.7	Low	49.5	Very low	46 Å²	46	66.4 Å²	66.4	20%	0.202	35%	0.347	C	S	.	.			trans	-133.7	155.8	-179.1	-59.9	-87.9	0	0	0	108.4	A479 I480 C482 K487 A494 L495 H498	A479-F489 CarbonylContact C-O 3.59Å; A479-F489 WeakPolarHBondContact CA-O 3.39Å; I480-F489 PolarHBondContact N-O 3.3Å; I480-F489 VanDerWaalsContact N-O 3.13Å; I480-F489 WeakPolarHBondContact O-CA 3.28Å; I480-F489 PolarHBondContact O-N 2.88Å; I480-F489 VanDerWaalsContact O-O 3.13Å; C482-F489 HydrophobicContact CB-CE2 4.18Å; K487-F489 HydrophobicContact CB-CE2 3.63Å; K487-F489 HydrophobicContact CB-CZ 3.8Å; K487-F489 HydrophobicContact CD-CZ 4.37Å; K487-F489 WeakPolarHBondContact O-CD2 3.13Å; K487-F489 VanDerWaalsContact O-CE2 3.27Å; K487-F489 WeakPolarHBondContact O-CE2 3.13Å; F489-A494 HydrophobicContact CB-CB 4.07Å; F489-A494 HydrophobicContact CD1-CB 4.02Å; F489-A494 HydrophobicContact CG-CB 4.39Å; F489-L495 HydrophobicContact CD2-CB 4.49Å; F489-L495 HydrophobicContact CD2-CD1 4.22Å; F489-L495 HydrophobicContact CE2-CD1 4.34Å; F489-H498 HydrophobicContact CE1-CB 3.92Å; F489-H498 HydrophobicContact CE2-CB 4.13Å; F489-H498 AromaticContact CE2-CD2 3.21Å; F489-H498 WeakPolarHBondContact CE2-CD2 3.48Å; F489-H498 AromaticContact CE2-CG 3.81Å; F489-H498 HydrophobicContact CZ-CB 3.61Å; F489-H498 AromaticContact CZ-CD2 3.16Å; F489-H498 WeakPolarHBondContact CZ-CD2 3.37Å; F489-H498 AromaticContact CZ-CG 3.3Å; F489-H498 AromaticContact CZ-NE2 3.93Å
490	Q	47.6	Very low	50.3	Low	166 Å²	166	67.5 Å²	67.5	78%	0.776	35%	0.348	S	S	*	.	S	Bend	trans	-93.6	-4.7	-177.3	-69.2	169.6	-33.6	0	0	113.3	M478	M478-Q490 CarbonylContact O-C 3.39Å
491	T	53.8	Low	50.3	Low	59 Å²	59	69.6 Å²	69.6	36%	0.362	36%	0.362	S	S	.	.	S	Bend	trans	-147.7	152.2	179.4	69.6	0	0	0	0	111.6	T493 A494 L495	T491-T493 VanDerWaalsContact C-N 3.25Å; T491-T493 PolarHBondContact O-N 3.1Å; T491-T493 PolarHBondContact OG1-OG1 3.44Å; T491-A494 PolarHBondContact O-N 2.87Å; T491-A494 VanDerWaalsContact OG1-CB 3.32Å; T491-A494 WeakPolarHBondContact OG1-CB 3.42Å; T491-A494 PolarHBondContact OG1-N 2.92Å; T491-L495 PolarHBondContact O-N 3.28Å; T491-L495 VanDerWaalsContact O-N 3.16Å
492	Q	49.8	Very low	50.2	Low	90 Å²	90	70.8 Å²	70.8	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-60.7	-34.8	172.3	-179.1	59.6	21.7	0	0	112	I480 A494 L495 Q496	I480-Q492 HydrophobicContact CD1-CB 3.77Å; Q492-A494 VanDerWaalsContact C-N 3.33Å; Q492-A494 PolarHBondContact O-N 3.42Å; Q492-L495 PolarHBondContact O-N 3.17Å; Q492-Q496 WeakPolarHBondContact O-CB 3.46Å; Q492-Q496 PolarHBondContact O-N 3.12Å
493	T	57	Low	50.2	Low	97 Å²	97	74.3 Å²	74.3	60%	0.595	40%	0.397	S	S	*	.	H	α-helix	trans	-64.6	-35.2	176.7	49.9	0	0	0	0	112.7	T491 Q496 Q497	T491-T493 VanDerWaalsContact C-N 3.25Å; T491-T493 PolarHBondContact O-N 3.1Å; T491-T493 PolarHBondContact OG1-OG1 3.44Å; T493-Q496 PolarHBondContact O-N 3.28Å; T493-Q497 PolarHBondContact O-N 3.03Å; T493-Q497 VanDerWaalsContact O-N 3.09Å
494	A	56.7	Low	50	Low	32 Å²	32	73 Å²	73	26%	0.264	40%	0.4	S	S	.	.	H	α-helix	trans	-74.7	-30.6	174.9	0	0	0	0	0	112.4	F489 T491 Q492 H498	F489-A494 HydrophobicContact CB-CB 4.07Å; F489-A494 HydrophobicContact CD1-CB 4.02Å; F489-A494 HydrophobicContact CG-CB 4.39Å; T491-A494 PolarHBondContact O-N 2.87Å; T491-A494 VanDerWaalsContact OG1-CB 3.32Å; T491-A494 WeakPolarHBondContact OG1-CB 3.42Å; T491-A494 PolarHBondContact OG1-N 2.92Å; Q492-A494 VanDerWaalsContact C-N 3.33Å; Q492-A494 PolarHBondContact O-N 3.42Å; A494-H498 WeakPolarHBondContact O-CB 3.33Å; A494-H498 PolarHBondContact O-N 3.27Å
495	L	55.8	Low	50.2	Low	15 Å²	15	72.8 Å²	72.8	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-67.8	-43.9	166.7	177.6	62.8	0	0	0	111.2	I480 C482 F489 T491 Q492 Q497 H498 M499	I480-L495 HydrophobicContact CG2-CB 3.62Å; I480-L495 HydrophobicContact CG2-CD2 3.28Å; I480-L495 HydrophobicContact CG2-CG 3.99Å; C482-L495 HydrophobicContact CB-CD1 3.81Å; F489-L495 HydrophobicContact CD2-CB 4.49Å; F489-L495 HydrophobicContact CD2-CD1 4.22Å; F489-L495 HydrophobicContact CE2-CD1 4.34Å; T491-L495 PolarHBondContact O-N 3.28Å; T491-L495 VanDerWaalsContact O-N 3.16Å; Q492-L495 PolarHBondContact O-N 3.17Å; L495-Q497 PolarHBondContact O-N 3.4Å; L495-H498 CarbonylContact O-C 3.35Å; L495-H498 WeakPolarHBondContact O-CA 3.49Å; L495-H498 WeakPolarHBondContact O-CB 3.28Å; L495-H498 PolarHBondContact O-N 3.38Å; L495-M499 HydrophobicContact CD1-CE 4.12Å; L495-M499 HydrophobicContact CD1-CG 4.15Å; L495-M499 HydrophobicContact CD1-SD 4.14Å; L495-M499 HydrophobicContact CD2-CE 4.38Å; L495-M499 HydrophobicContact CG-CE 4.45Å; L495-M499 HydrophobicContact CG-CG 4.19Å; L495-M499 WeakPolarHBondContact O-CG 3.3Å; L495-M499 PolarHBondContact O-N 3.05Å
496	Q	55	Low	50.7	Low	117 Å²	117	76.8 Å²	76.8	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-57.9	-50.6	-178.9	-157.5	75.7	13.4	0	0	111.1	Q492 T493 H498 M499 E500	Q492-Q496 WeakPolarHBondContact O-CB 3.46Å; Q492-Q496 PolarHBondContact O-N 3.12Å; T493-Q496 PolarHBondContact O-N 3.28Å; Q496-H498 PolarHBondContact O-N 3.35Å; Q496-H498 VanDerWaalsContact O-N 3.15Å; Q496-M499 PolarHBondContact O-N 2.57Å; Q496-E500 PolarHBondContact O-N 3.44Å
497	Q	55.2	Low	51	Low	56 Å²	56	77 Å²	77	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-61.4	-19.3	172.3	-74.4	-176.6	13.1	0	0	114	T493 L495 E500 P518 T521	T493-Q497 PolarHBondContact O-N 3.03Å; T493-Q497 VanDerWaalsContact O-N 3.09Å; L495-Q497 PolarHBondContact O-N 3.4Å; Q497-E500 WeakPolarHBondContact CA-OE1 3.28Å; Q497-P518 VanDerWaalsContact O-O 3.1Å; Q497-T521 PolarHBondContact OE1-OG1 3.02Å
498	H	58.1	Low	51.6	Low	15 Å²	15	74.9 Å²	74.9	7%	0.069	39%	0.391	C	S	.	.	H	α-helix	trans	-89.8	-28	173.3	175.8	41.6	0	0	0	112.6	C482 C485 F489 A494 L495 Q496 E500 V501 H502	C482-H498 VanDerWaalsContact CB-CD2 3.44Å; C482-H498 WeakPolarHBondContact CB-CD2 3.43Å; C482-H498 WeakPolarHBondContact CB-NE2 3.4Å; C482-H498 PolarHBondContact SG-NE2 3.08Å; C485-H498 PolarHBondContact SG-NE2 3.45Å; F489-H498 HydrophobicContact CE1-CB 3.92Å; F489-H498 HydrophobicContact CE2-CB 4.13Å; F489-H498 AromaticContact CE2-CD2 3.21Å; F489-H498 WeakPolarHBondContact CE2-CD2 3.48Å; F489-H498 AromaticContact CE2-CG 3.81Å; F489-H498 HydrophobicContact CZ-CB 3.61Å; F489-H498 AromaticContact CZ-CD2 3.16Å; F489-H498 WeakPolarHBondContact CZ-CD2 3.37Å; F489-H498 AromaticContact CZ-CG 3.3Å; F489-H498 AromaticContact CZ-NE2 3.93Å; A494-H498 WeakPolarHBondContact O-CB 3.33Å; A494-H498 PolarHBondContact O-N 3.27Å; L495-H498 CarbonylContact O-C 3.35Å; L495-H498 WeakPolarHBondContact O-CA 3.49Å; L495-H498 WeakPolarHBondContact O-CB 3.28Å; L495-H498 PolarHBondContact O-N 3.38Å; Q496-H498 PolarHBondContact O-N 3.35Å; Q496-H498 VanDerWaalsContact O-N 3.15Å; H498-E500 VanDerWaalsContact C-N 3.29Å; H498-V501 WeakPolarHBondContact O-CB 3.38Å; H498-V501 VanDerWaalsContact O-CG2 3.3Å; H498-V501 WeakPolarHBondContact O-CG2 3.38Å; H498-V501 PolarHBondContact O-N 2.83Å; H498-V501 VanDerWaalsContact O-N 3.11Å; H498-H502 AromaticContact CE1-CD2 3.57Å; H498-H502 AromaticContact CE1-NE2 3.38Å; H498-H502 PolarHBondContact CE1-NE2 3.3Å; H498-H502 AromaticContact NE2-CD2 3.78Å; H498-H502 AromaticContact NE2-NE2 3.51Å
499	M	50.2	Low	51.9	Low	57 Å²	57	72.7 Å²	72.7	28%	0.281	39%	0.39	S	S	.	.	H	α-helix	trans	-67.9	-29.9	170.8	-65.7	-55.3	-147.8	0	0	111.7	L484 L495 Q496 V501 H502 A503	L484-M499 HydrophobicContact CD1-SD 4.26Å; L495-M499 HydrophobicContact CD1-CE 4.12Å; L495-M499 HydrophobicContact CD1-CG 4.15Å; L495-M499 HydrophobicContact CD1-SD 4.14Å; L495-M499 HydrophobicContact CD2-CE 4.38Å; L495-M499 HydrophobicContact CG-CE 4.45Å; L495-M499 HydrophobicContact CG-CG 4.19Å; L495-M499 WeakPolarHBondContact O-CG 3.3Å; L495-M499 PolarHBondContact O-N 3.05Å; Q496-M499 PolarHBondContact O-N 2.57Å; M499-V501 PolarHBondContact O-N 3.32Å; M499-H502 CarbonylContact O-C 3.42Å; M499-H502 WeakPolarHBondContact O-CA 3.5Å; M499-H502 WeakPolarHBondContact O-CB 3.34Å; M499-H502 PolarHBondContact O-N 2.89Å; M499-A503 PolarHBondContact O-N 3.47Å
500	E	56	Low	52.1	Low	44 Å²	44	70.5 Å²	70.5	21%	0.206	38%	0.38	C	S	.	.	H	α-helix	trans	-53.2	-37.4	167.2	-71.5	173.6	-112.8	0	0	111.8	Q496 Q497 H498 H502 A503 G504 S507 P518	Q496-E500 PolarHBondContact O-N 3.44Å; Q497-E500 WeakPolarHBondContact CA-OE1 3.28Å; H498-E500 VanDerWaalsContact C-N 3.29Å; E500-H502 PolarHBondContact O-N 2.77Å; E500-A503 PolarHBondContact O-N 2.89Å; E500-G504 PolarHBondContact O-N 3.29Å; E500-G504 VanDerWaalsContact O-N 3.07Å; E500-S507 PolarHBondContact OE2-OG 3.14Å; E500-P518 HydrophobicContact CB-CB 4.37Å; E500-P518 WeakPolarHBondContact CB-O 3.09Å
501	V	51.4	Low	52.6	Low	77 Å²	77	67.6 Å²	67.6	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-30.9	174.8	-166.7	0	0	0	0	112.4	H498 M499 P518	H498-V501 WeakPolarHBondContact O-CB 3.38Å; H498-V501 VanDerWaalsContact O-CG2 3.3Å; H498-V501 WeakPolarHBondContact O-CG2 3.38Å; H498-V501 PolarHBondContact O-N 2.83Å; H498-V501 VanDerWaalsContact O-N 3.11Å; M499-V501 PolarHBondContact O-N 3.32Å; V501-P518 HydrophobicContact CB-CB 4.26Å; V501-P518 HydrophobicContact CB-CG 4.28Å; V501-P518 HydrophobicContact CG1-CG 4.34Å; V501-P518 HydrophobicContact CG2-CB 3.81Å; V501-P518 HydrophobicContact CG2-CG 3.65Å
502	H	44.4	Very low	53	Low	78 Å²	78	70.1 Å²	70.1	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-90	-32.2	-179.9	-77.5	-80.7	0	0	0	112.9	L484 H498 M499 E500 G504	L484-H502 VanDerWaalsContact CB-CE1 3.43Å; L484-H502 WeakPolarHBondContact CB-CE1 3.44Å; L484-H502 HydrophobicContact CD1-CB 3.58Å; H498-H502 AromaticContact CE1-CD2 3.57Å; H498-H502 AromaticContact CE1-NE2 3.38Å; H498-H502 PolarHBondContact CE1-NE2 3.3Å; H498-H502 AromaticContact NE2-CD2 3.78Å; H498-H502 AromaticContact NE2-NE2 3.51Å; M499-H502 CarbonylContact O-C 3.42Å; M499-H502 WeakPolarHBondContact O-CA 3.5Å; M499-H502 WeakPolarHBondContact O-CB 3.34Å; M499-H502 PolarHBondContact O-N 2.89Å; E500-H502 PolarHBondContact O-N 2.77Å; H502-G504 PolarHBondContact O-N 3.39Å
503	A	46.3	Very low	53.4	Low	74 Å²	74	68.2 Å²	68.2	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-73.5	-12	172.5	0	0	0	0	0	113	M499 E500 V505	M499-A503 PolarHBondContact O-N 3.47Å; E500-A503 PolarHBondContact O-N 2.89Å; A503-V505 HydrophobicContact CB-CG2 4.13Å; A503-V505 PolarHBondContact O-N 3.44Å; A503-V505 VanDerWaalsContact O-N 3.14Å
504	G	41.9	Very low	53	Low	39 Å²	39	69.4 Å²	69.4	40%	0.402	39%	0.385	S	S	.	.			trans	79.9	-16.5	-179.8	0	0	0	0	0	114.4	E500 H502 R506	E500-G504 PolarHBondContact O-N 3.29Å; E500-G504 VanDerWaalsContact O-N 3.07Å; H502-G504 PolarHBondContact O-N 3.39Å; G504-R506 PolarHBondContact O-N 3.08Å; G504-R506 PolarHBondContact O-NH1 2.75Å
505	V	44.1	Very low	52.5	Low	83 Å²	83	75.7 Å²	75.7	50%	0.503	40%	0.402	S	S	.	.			trans	-54.5	115.6	174.2	-178.3	0	0	0	0	109.9	A503	A503-V505 HydrophobicContact CB-CG2 4.13Å; A503-V505 PolarHBondContact O-N 3.44Å; A503-V505 VanDerWaalsContact O-N 3.14Å
506	R	51	Low	52	Low	141 Å²	141	78.1 Å²	78.1	53%	0.532	42%	0.417	S	S	.	.			trans	-114.1	68.8	177.8	-71.3	170.4	162.1	83.7	-10.3	110.4	G504 Y508 T516 F517	G504-R506 PolarHBondContact O-N 3.08Å; G504-R506 PolarHBondContact O-NH1 2.75Å; R506-Y508 PolarHBondContact O-N 3.21Å; R506-T516 VanDerWaalsContact CD-O 3.3Å; R506-T516 WeakPolarHBondContact CD-O 3.21Å; R506-T516 WeakPolarHBondContact CD-OG1 3.4Å; R506-T516 PolarHBondContact NE-O 3.42Å; R506-F517 CarbonylContact C-O 3.58Å; R506-F517 VanDerWaalsContact C-O 3.27Å; R506-F517 WeakPolarHBondContact CA-O 3.41Å
507	S	49.8	Very low	52.1	Low	59 Å²	59	74.4 Å²	74.4	41%	0.413	40%	0.399	S	S	.	.			trans	-53.3	-14.5	-178.9	41.4	0	0	0	0	115.9	E500 F517	E500-S507 PolarHBondContact OE2-OG 3.14Å; S507-F517 PolarHBondContact N-O 3.12Å
508	Y	55.5	Low	51.7	Low	77 Å²	77	72.9 Å²	72.9	30%	0.302	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	100	-171.6	-63.3	-77.8	0	0	0	113	R506 F517 S519 H520 L523	R506-Y508 PolarHBondContact O-N 3.21Å; Y508-F517 PolarHBondContact N-O 2.88Å; Y508-F517 PolarHBondContact O-N 2.91Å; Y508-S519 VanDerWaalsContact CD2-CA 3.41Å; Y508-H520 HydrophobicContact CD1-CB 3.99Å; Y508-H520 HydrophobicContact CE1-CB 3.65Å; Y508-H520 HydrophobicContact CE2-CB 4.18Å; Y508-H520 HydrophobicContact CG-CB 4.41Å; Y508-L523 HydrophobicContact CD1-CD2 4.47Å
509	I	54	Low	51.5	Low	105 Å²	105	72.6 Å²	72.6	54%	0.538	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	142.6	174.8	-59.2	157.2	0	0	0	110.3	T516 L523	I509-T516 HydrophobicContact CG1-CG2 3.79Å; I509-L523 WeakPolarHBondContact O-CD2 3.44Å
510	C	60.7	Low	51.6	Low	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.398	C	S	.	.			trans	-88.7	121.3	167.8	178.5	0	0	0	0	111.7	E512 C513 N514 R515 F517 L523 H530	C510-E512 PolarHBondContact O-N 3.13Å; C510-E512 VanDerWaalsContact O-N 3.16Å; C510-C513 PolarHBondContact O-N 3.25Å; C510-N514 WeakPolarHBondContact O-CA 3.39Å; C510-N514 PolarHBondContact O-N 2.9Å; C510-N514 PolarHBondContact O-OD1 3.43Å; C510-R515 PolarHBondContact N-O 3.16Å; C510-F517 HydrophobicContact CB-CE2 4.26Å; C510-L523 HydrophobicContact CB-CD1 3.71Å; C510-H530 VanDerWaalsContact SG-CD2 3.51Å
511	S	58.9	Low	51.7	Low	104 Å²	104	75.8 Å²	75.8	73%	0.727	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.1	179.5	50.1	0	0	0	0	115.8
512	E	62.4	Low	51.9	Low	113 Å²	113	72.7 Å²	72.7	53%	0.528	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-17.2	-174.9	-64.2	177.4	-100.5	0	0	113.3	C510 H530	C510-E512 PolarHBondContact O-N 3.13Å; C510-E512 VanDerWaalsContact O-N 3.16Å; E512-H530 WeakPolarHBondContact OE1-CB 3.42Å; E512-H530 IonicContact OE1-CD2 2.67Å; E512-H530 IonicContact OE1-CG 3.82Å; E512-H530 WeakPolarHBondContact OE2-CB 3.21Å; E512-H530 IonicContact OE2-CG 2.63Å
513	C	56.6	Low	52.6	Low	49 Å²	49	69.8 Å²	69.8	33%	0.331	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.4	15.6	177.6	74	0	0	0	0	115.2	C510 R515 H526 H530	C510-C513 PolarHBondContact O-N 3.25Å; C513-R515 PolarHBondContact O-N 3.44Å; C513-H526 PolarHBondContact SG-NE2 3.32Å; C513-H530 VanDerWaalsContact CB-NE2 3.33Å; C513-H530 WeakPolarHBondContact CB-NE2 3.23Å; C513-H530 PolarHBondContact SG-NE2 3.23Å
514	N	49.3	Very low	53.3	Low	123 Å²	123	72 Å²	72	66%	0.658	38%	0.38	S	S	*	.			trans	51	17.4	178.6	-65.6	-0.9	0	0	0	116.1	C510	C510-N514 WeakPolarHBondContact O-CA 3.39Å; C510-N514 PolarHBondContact O-N 2.9Å; C510-N514 PolarHBondContact O-OD1 3.43Å
515	R	46	Very low	54.1	Low	163 Å²	163	78.4 Å²	78.4	62%	0.615	39%	0.391	S	S	*	.			trans	-71.3	135.8	173.9	-77.2	-177.4	169	170.2	0.8	111	C510 C513 F517	C510-R515 PolarHBondContact N-O 3.16Å; C513-R515 PolarHBondContact O-N 3.44Å; R515-F517 HydrophobicContact CB-CE2 3.48Å; R515-F517 VanDerWaalsContact CB-CE2 3.48Å; R515-F517 HydrophobicContact CB-CZ 3.84Å; R515-F517 VanDerWaalsContact O-CD2 3.27Å; R515-F517 WeakPolarHBondContact O-CD2 3.4Å; R515-F517 VanDerWaalsContact O-CE2 3.23Å; R515-F517 WeakPolarHBondContact O-CE2 3.33Å
516	T	46.2	Very low	55	Low	67 Å²	67	75.2 Å²	75.2	41%	0.411	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.2	-175.1	44.5	0	0	0	0	111.5	R506 I509	R506-T516 VanDerWaalsContact CD-O 3.3Å; R506-T516 WeakPolarHBondContact CD-O 3.21Å; R506-T516 WeakPolarHBondContact CD-OG1 3.4Å; R506-T516 PolarHBondContact NE-O 3.42Å; I509-T516 HydrophobicContact CG1-CG2 3.79Å
517	F	55.8	Low	55.4	Low	39 Å²	39	70.8 Å²	70.8	17%	0.171	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.5	-173.5	-66	-89.2	0	0	0	112.4	R506 S507 Y508 C510 R515 S519 A522 L523 H526	R506-F517 CarbonylContact C-O 3.58Å; R506-F517 VanDerWaalsContact C-O 3.27Å; R506-F517 WeakPolarHBondContact CA-O 3.41Å; S507-F517 PolarHBondContact N-O 3.12Å; Y508-F517 PolarHBondContact N-O 2.88Å; Y508-F517 PolarHBondContact O-N 2.91Å; C510-F517 HydrophobicContact CB-CE2 4.26Å; R515-F517 HydrophobicContact CB-CE2 3.48Å; R515-F517 VanDerWaalsContact CB-CE2 3.48Å; R515-F517 HydrophobicContact CB-CZ 3.84Å; R515-F517 VanDerWaalsContact O-CD2 3.27Å; R515-F517 WeakPolarHBondContact O-CD2 3.4Å; R515-F517 VanDerWaalsContact O-CE2 3.23Å; R515-F517 WeakPolarHBondContact O-CE2 3.33Å; F517-S519 VanDerWaalsContact C-N 3.28Å; F517-S519 PolarHBondContact O-N 3.5Å; F517-A522 HydrophobicContact CB-CB 4.3Å; F517-A522 HydrophobicContact CD1-CB 4.22Å; F517-L523 HydrophobicContact CB-CB 4.22Å; F517-L523 HydrophobicContact CD2-CB 4.48Å; F517-L523 HydrophobicContact CD2-CD1 3.97Å; F517-L523 HydrophobicContact CE2-CD1 4.44Å; F517-L523 HydrophobicContact CG-CB 4.45Å; F517-H526 HydrophobicContact CD1-CB 4.48Å; F517-H526 HydrophobicContact CE1-CB 3.81Å; F517-H526 AromaticContact CE1-CG 3.99Å; F517-H526 HydrophobicContact CE2-CB 4.1Å; F517-H526 AromaticContact CE2-CD2 3.01Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.42Å; F517-H526 AromaticContact CE2-CG 3.69Å; F517-H526 AromaticContact CE2-NE2 3.63Å; F517-H526 HydrophobicContact CZ-CB 3.61Å; F517-H526 AromaticContact CZ-CD2 3.09Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.3Å; F517-H526 AromaticContact CZ-CG 3.28Å; F517-H526 AromaticContact CZ-NE2 3.66Å
518	P	47	Very low	55.9	Low	23 Å²	23	74.2 Å²	74.2	15%	0.149	36%	0.361	C	S	.	.	S	Bend	trans	-85.3	10.9	-178.7	36.3	-38.4	0	0	0	114	Q497 E500 V501	Q497-P518 VanDerWaalsContact O-O 3.1Å; E500-P518 HydrophobicContact CB-CB 4.37Å; E500-P518 WeakPolarHBondContact CB-O 3.09Å; V501-P518 HydrophobicContact CB-CB 4.26Å; V501-P518 HydrophobicContact CB-CG 4.28Å; V501-P518 HydrophobicContact CG1-CG 4.34Å; V501-P518 HydrophobicContact CG2-CB 3.81Å; V501-P518 HydrophobicContact CG2-CG 3.65Å
519	S	53.4	Low	56	Low	10 Å²	10	71.9 Å²	71.9	7%	0.07	36%	0.356	C	S	.	.	S	Bend	trans	-164.8	151	169.6	74.4	0	0	0	0	112.1	Y508 F517 T521 A522 L523	Y508-S519 VanDerWaalsContact CD2-CA 3.41Å; F517-S519 VanDerWaalsContact C-N 3.28Å; F517-S519 PolarHBondContact O-N 3.5Å; S519-T521 PolarHBondContact O-N 3.24Å; S519-T521 PolarHBondContact OG-OG1 2.89Å; S519-A522 PolarHBondContact O-N 3.43Å; S519-A522 VanDerWaalsContact OG-CB 3.3Å; S519-A522 WeakPolarHBondContact OG-CB 3.35Å; S519-A522 PolarHBondContact OG-N 3Å; S519-L523 PolarHBondContact O-N 3.06Å
520	H	52.6	Low	56.3	Low	80 Å²	80	70.3 Å²	70.3	37%	0.37	35%	0.347	S	S	.	.	H	α-helix	trans	-59.3	-30	172.9	-178.7	-155.6	0	0	0	112.1	Y508 K524	Y508-H520 HydrophobicContact CD1-CB 3.99Å; Y508-H520 HydrophobicContact CE1-CB 3.65Å; Y508-H520 HydrophobicContact CE2-CB 4.18Å; Y508-H520 HydrophobicContact CG-CB 4.41Å; H520-K524 WeakPolarHBondContact NE2-CE 3.47Å; H520-K524 WeakPolarHBondContact O-CB 3.15Å; H520-K524 PolarHBondContact O-N 3.36Å
521	T	58.8	Low	56.1	Low	88 Å²	88	74.4 Å²	74.4	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-72.1	-35.4	175.2	49.6	0	0	0	0	112.4	Q497 S519 R525	Q497-T521 PolarHBondContact OE1-OG1 3.02Å; S519-T521 PolarHBondContact O-N 3.24Å; S519-T521 PolarHBondContact OG-OG1 2.89Å; T521-R525 WeakPolarHBondContact O-CB 3.44Å; T521-R525 PolarHBondContact O-N 2.76Å; T521-R525 VanDerWaalsContact O-N 3.11Å
522	A	54.9	Low	55.9	Low	11 Å²	11	73.4 Å²	73.4	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-71.2	-41.8	171.7	0	0	0	0	0	111.5	F517 S519 R525 H526	F517-A522 HydrophobicContact CB-CB 4.3Å; F517-A522 HydrophobicContact CD1-CB 4.22Å; S519-A522 PolarHBondContact O-N 3.43Å; S519-A522 VanDerWaalsContact OG-CB 3.3Å; S519-A522 WeakPolarHBondContact OG-CB 3.35Å; S519-A522 PolarHBondContact OG-N 3Å; A522-R525 PolarHBondContact O-N 3.36Å; A522-H526 PolarHBondContact O-N 3.38Å
523	L	59.5	Low	55.5	Low	18 Å²	18	71.6 Å²	71.6	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-50.8	172.6	175.5	61.2	0	0	0	111	Y508 I509 C510 F517 S519 R525 H526 L527	Y508-L523 HydrophobicContact CD1-CD2 4.47Å; I509-L523 WeakPolarHBondContact O-CD2 3.44Å; C510-L523 HydrophobicContact CB-CD1 3.71Å; F517-L523 HydrophobicContact CB-CB 4.22Å; F517-L523 HydrophobicContact CD2-CB 4.48Å; F517-L523 HydrophobicContact CD2-CD1 3.97Å; F517-L523 HydrophobicContact CE2-CD1 4.44Å; F517-L523 HydrophobicContact CG-CB 4.45Å; S519-L523 PolarHBondContact O-N 3.06Å; L523-R525 PolarHBondContact O-N 3.28Å; L523-H526 CarbonylContact O-C 3.51Å; L523-H526 WeakPolarHBondContact O-CA 3.49Å; L523-H526 WeakPolarHBondContact O-CB 3.4Å; L523-H526 PolarHBondContact O-N 2.71Å; L523-L527 HydrophobicContact CD1-CD1 4.21Å; L523-L527 HydrophobicContact CD1-CD2 4.24Å; L523-L527 HydrophobicContact CD1-CG 3.94Å; L523-L527 HydrophobicContact CD2-CD1 4.45Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 HydrophobicContact CG-CG 4.16Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 2.83Å
524	K	60	Low	55.6	Low	121 Å²	121	72.7 Å²	72.7	53%	0.526	38%	0.384	S	S	.	.	H	α-helix	trans	-59.7	-31.6	176.6	-86.1	-174.8	165.8	177.7	0	113.5	H520 H526 R528	H520-K524 WeakPolarHBondContact NE2-CE 3.47Å; H520-K524 WeakPolarHBondContact O-CB 3.15Å; H520-K524 PolarHBondContact O-N 3.36Å; K524-H526 VanDerWaalsContact C-N 3.34Å; K524-R528 WeakPolarHBondContact O-CG 3.43Å; K524-R528 PolarHBondContact O-N 3.05Å
525	R	59.3	Low	56.2	Low	172 Å²	172	68.8 Å²	68.8	65%	0.649	36%	0.362	S	S	*	.	H	α-helix	trans	-71.1	-29.2	171.6	-175.8	176.2	58.8	-136.6	-11.7	112.7	T521 A522 L523	T521-R525 WeakPolarHBondContact O-CB 3.44Å; T521-R525 PolarHBondContact O-N 2.76Å; T521-R525 VanDerWaalsContact O-N 3.11Å; A522-R525 PolarHBondContact O-N 3.36Å; L523-R525 PolarHBondContact O-N 3.28Å
526	H	62.4	Low	57.1	Low	17 Å²	17	65 Å²	65	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-82.5	-35.2	175.3	169.3	50.3	0	0	0	113.1	C513 F517 A522 L523 K524 R528 S529 H530	C513-H526 PolarHBondContact SG-NE2 3.32Å; F517-H526 HydrophobicContact CD1-CB 4.48Å; F517-H526 HydrophobicContact CE1-CB 3.81Å; F517-H526 AromaticContact CE1-CG 3.99Å; F517-H526 HydrophobicContact CE2-CB 4.1Å; F517-H526 AromaticContact CE2-CD2 3.01Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.42Å; F517-H526 AromaticContact CE2-CG 3.69Å; F517-H526 AromaticContact CE2-NE2 3.63Å; F517-H526 HydrophobicContact CZ-CB 3.61Å; F517-H526 AromaticContact CZ-CD2 3.09Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.3Å; F517-H526 AromaticContact CZ-CG 3.28Å; F517-H526 AromaticContact CZ-NE2 3.66Å; A522-H526 PolarHBondContact O-N 3.38Å; L523-H526 CarbonylContact O-C 3.51Å; L523-H526 WeakPolarHBondContact O-CA 3.49Å; L523-H526 WeakPolarHBondContact O-CB 3.4Å; L523-H526 PolarHBondContact O-N 2.71Å; K524-H526 VanDerWaalsContact C-N 3.34Å; H526-R528 PolarHBondContact O-N 2.78Å; H526-R528 VanDerWaalsContact O-N 3.15Å; H526-S529 PolarHBondContact ND1-OG 3.31Å; H526-S529 WeakPolarHBondContact O-CA 3.38Å; H526-S529 WeakPolarHBondContact O-CB 3.44Å; H526-S529 PolarHBondContact O-N 3.15Å; H526-S529 PolarHBondContact O-OG 3.44Å; H526-H530 AromaticContact CE1-CD2 3.98Å; H526-H530 AromaticContact CE1-NE2 3.91Å
527	L	60.8	Low	58.2	Low	47 Å²	47	65.1 Å²	65.1	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-24.5	172.1	-67	171.9	0	0	0	111.9	L523 S529 H530 T531	L523-L527 HydrophobicContact CD1-CD1 4.21Å; L523-L527 HydrophobicContact CD1-CD2 4.24Å; L523-L527 HydrophobicContact CD1-CG 3.94Å; L523-L527 HydrophobicContact CD2-CD1 4.45Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 HydrophobicContact CG-CG 4.16Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 2.83Å; L527-S529 VanDerWaalsContact C-N 3.3Å; L527-S529 PolarHBondContact O-N 2.93Å; L527-H530 PolarHBondContact O-N 3.41Å; L527-T531 PolarHBondContact O-N 2.84Å; L527-T531 PolarHBondContact O-OG1 2.97Å
528	R	60.1	Low	58.9	Low	131 Å²	131	68.8 Å²	68.8	49%	0.494	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23	167.6	-70.6	165.7	-179.7	-129.5	4.5	114.6	K524 H526 H530 T531 D534 H535	K524-R528 WeakPolarHBondContact O-CG 3.43Å; K524-R528 PolarHBondContact O-N 3.05Å; H526-R528 PolarHBondContact O-N 2.78Å; H526-R528 VanDerWaalsContact O-N 3.15Å; R528-H530 VanDerWaalsContact C-N 3.29Å; R528-T531 WeakPolarHBondContact CA-OG1 3.43Å; R528-D534 HydrophobicContact CB-CB 4.15Å; R528-D534 VanDerWaalsContact CD-OD2 3.24Å; R528-D534 WeakPolarHBondContact CD-OD2 3.37Å; R528-D534 HydrophobicContact CG-CB 4.33Å; R528-D534 IonicContact CZ-OD2 2.67Å; R528-D534 IonicContact NE-OD2 3.74Å; R528-D534 IonicContact NH1-OD2 3.87Å; R528-D534 PolarHBondContact NH1-OD2 2.88Å; R528-H535 PolarHBondContact O-CD2 3.36Å
529	S	58.5	Low	60.2	Low	28 Å²	28	67.7 Å²	67.7	20%	0.196	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.1	172.1	64.9	0	0	0	0	113.4	H526 L527 C545	H526-S529 PolarHBondContact ND1-OG 3.31Å; H526-S529 WeakPolarHBondContact O-CA 3.38Å; H526-S529 WeakPolarHBondContact O-CB 3.44Å; H526-S529 PolarHBondContact O-N 3.15Å; H526-S529 PolarHBondContact O-OG 3.44Å; L527-S529 VanDerWaalsContact C-N 3.3Å; L527-S529 PolarHBondContact O-N 2.93Å; S529-C545 WeakPolarHBondContact O-CB 3.27Å; S529-C545 PolarHBondContact O-SG 2.92Å
530	H	58.5	Low	61.2	Low	72 Å²	72	74.1 Å²	74.1	33%	0.333	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-44.4	170.3	-60.2	-50.6	0	0	0	111.7	C510 E512 C513 H526 L527 R528 A532	C510-H530 VanDerWaalsContact SG-CD2 3.51Å; E512-H530 WeakPolarHBondContact OE1-CB 3.42Å; E512-H530 IonicContact OE1-CD2 2.67Å; E512-H530 IonicContact OE1-CG 3.82Å; E512-H530 WeakPolarHBondContact OE2-CB 3.21Å; E512-H530 IonicContact OE2-CG 2.63Å; C513-H530 VanDerWaalsContact CB-NE2 3.33Å; C513-H530 WeakPolarHBondContact CB-NE2 3.23Å; C513-H530 PolarHBondContact SG-NE2 3.23Å; H526-H530 AromaticContact CE1-CD2 3.98Å; H526-H530 AromaticContact CE1-NE2 3.91Å; L527-H530 PolarHBondContact O-N 3.41Å; R528-H530 VanDerWaalsContact C-N 3.29Å; H530-A532 PolarHBondContact O-N 3.34Å
531	T	57.4	Low	61.9	Low	87 Å²	87	75.9 Å²	75.9	53%	0.534	40%	0.399	S	S	.	.	S	Bend	trans	-71	102.1	170.8	41.1	0	0	0	0	110.8	L527 R528 G533	L527-T531 PolarHBondContact O-N 2.84Å; L527-T531 PolarHBondContact O-OG1 2.97Å; R528-T531 WeakPolarHBondContact CA-OG1 3.43Å; T531-G533 PolarHBondContact O-N 3.22Å
532	A	54.1	Low	62.2	Low	82 Å²	82	74.3 Å²	74.3	68%	0.678	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	13.3	-171.8	0	0	0	0	0	117.4	H530	H530-A532 PolarHBondContact O-N 3.34Å
533	G	54.3	Low	62.4	Low	75 Å²	75	76 Å²	76	77%	0.773	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.5	179.5	0	0	0	0	0	115.9	T531	T531-G533 PolarHBondContact O-N 3.22Å
534	D	58.4	Low	62.6	Low	73 Å²	73	77.2 Å²	77.2	39%	0.39	42%	0.42	S	S	.	.	S	Bend	trans	-113.7	-7.1	-175.6	-144.7	25.8	0	0	0	113	R528	R528-D534 HydrophobicContact CB-CB 4.15Å; R528-D534 VanDerWaalsContact CD-OD2 3.24Å; R528-D534 WeakPolarHBondContact CD-OD2 3.37Å; R528-D534 HydrophobicContact CG-CB 4.33Å; R528-D534 IonicContact CZ-OD2 2.67Å; R528-D534 IonicContact NE-OD2 3.74Å; R528-D534 IonicContact NH1-OD2 3.87Å; R528-D534 PolarHBondContact NH1-OD2 2.88Å
535	H	63.3	Low	63.2	Low	40 Å²	40	73.3 Å²	73.3	19%	0.185	41%	0.407	C	S	.	.			trans	-138.9	69.4	177	-71	-61.2	0	0	0	111.1	R528 F537 C545 F546 R547	R528-H535 PolarHBondContact O-CD2 3.36Å; H535-F537 PolarHBondContact O-N 3.01Å; H535-C545 HydrophobicContact CB-CB 3.89Å; H535-F546 CarbonylContact C-O 3.53Å; H535-F546 WeakPolarHBondContact CA-O 3.18Å; H535-F546 WeakPolarHBondContact CB-O 3.41Å; H535-R547 WeakPolarHBondContact ND1-CA 3.4Å; H535-R547 WeakPolarHBondContact ND1-CB 3.25Å; H535-R547 PolarHBondContact ND1-N 3.37Å; H535-R547 VanDerWaalsContact ND1-N 3.18Å
536	P	64.6	Low	64	Low	83 Å²	83	67.1 Å²	67.1	54%	0.539	39%	0.386	S	S	.	.			trans	-76.9	12.4	-168.7	32.5	-36.7	0	0	0	115
537	F	68.7	Low	64.6	Low	71 Å²	71	74.9 Å²	74.9	31%	0.311	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	87.3	-175.7	-63.1	-75.8	0	0	0	110.6	H535 F546 D548 E549 L552	H535-F537 PolarHBondContact O-N 3.01Å; F537-F546 HydrophobicContact CB-CB 4.27Å; F537-F546 PolarHBondContact N-O 2.92Å; F537-F546 WeakPolarHBondContact O-CB 3.44Å; F537-F546 PolarHBondContact O-N 3.4Å; F537-D548 VanDerWaalsContact CD2-C 3.42Å; F537-E549 HydrophobicContact CD1-CB 3.89Å; F537-E549 HydrophobicContact CD1-CG 4.2Å; F537-E549 HydrophobicContact CE1-CB 3.67Å; F537-E549 HydrophobicContact CE1-CG 4.16Å; F537-E549 HydrophobicContact CG-CB 4.46Å; F537-E549 HydrophobicContact CZ-CB 4.07Å; F537-L552 HydrophobicContact CB-CB 4.05Å; F537-L552 HydrophobicContact CB-CD2 3.8Å
538	E	70.8	Confident	65.4	Low	115 Å²	115	74.6 Å²	74.6	54%	0.537	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	150	177.8	-165.9	-178.7	160.8	0	0	112.5	G543 S544 L552	E538-G543 WeakPolarHBondContact OE1-CA 3.37Å; E538-S544 CarbonylContact C-O 3.48Å; E538-L552 WeakPolarHBondContact O-CD1 3.46Å; E538-L552 VanDerWaalsContact O-CD2 3.28Å; E538-L552 WeakPolarHBondContact O-CD2 3.37Å
539	C	73.6	Confident	66.2	Low	0 Å²	0	73 Å²	73	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	106.8	170.6	-167.4	0	0	0	0	112.3	F541 C542 G543 S544 F546 L552 H555	C539-F541 PolarHBondContact O-N 3.44Å; C539-C542 PolarHBondContact O-N 2.88Å; C539-G543 PolarHBondContact O-N 3.39Å; C539-S544 PolarHBondContact N-O 3.39Å; C539-F546 HydrophobicContact CB-CE2 4.17Å; C539-L552 HydrophobicContact CB-CD1 3.58Å; C539-H555 PolarHBondContact SG-CD2 2.79Å
540	E	73.9	Confident	67.2	Low	145 Å²	145	75.9 Å²	75.9	68%	0.678	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-27.9	174.4	-62.9	116.2	-129.7	0	0	115	K556	E540-K556 IonicContact OE1-NZ 2.79Å; E540-K556 PolarHBondContact OE1-NZ 3.23Å; E540-K556 IonicContact OE2-NZ 3.87Å; E540-K556 PolarHBondContact OE2-NZ 2.85Å
541	F	67.9	Low	68.1	Low	117 Å²	117	75.5 Å²	75.5	51%	0.513	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-19.2	-178.1	-60.9	-70.3	0	0	0	114.6	C539 K556 H559 T560	C539-F541 PolarHBondContact O-N 3.44Å; F541-K556 HydrophobicContact CD2-CG 4.46Å; F541-K556 HydrophobicContact CE2-CD 4.41Å; F541-K556 HydrophobicContact CE2-CG 4.46Å; F541-H559 HydrophobicContact CB-CB 4.2Å; F541-H559 HydrophobicContact CD2-CB 3.86Å; F541-H559 AromaticContact CD2-CD2 3.76Å; F541-H559 HydrophobicContact CE2-CB 4.37Å; F541-H559 HydrophobicContact CG-CB 3.95Å; F541-H559 AromaticContact CG-CD2 3.98Å; F541-H559 AromaticContact CG-CG 3.96Å; F541-T560 HydrophobicContact CE2-CG2 4.48Å
542	C	64.8	Low	69.2	Low	55 Å²	55	72 Å²	72	37%	0.372	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.1	25.3	-172.5	69.9	0	0	0	0	116	C539 S544 H555 H559	C539-C542 PolarHBondContact O-N 2.88Å; C542-S544 PolarHBondContact O-N 3.01Å; C542-S544 PolarHBondContact O-OG 2.96Å; C542-S544 PolarHBondContact SG-OG 3.47Å; C542-S544 VanDerWaalsContact SG-OG 3.35Å; C542-H555 PolarHBondContact SG-NE2 2.82Å; C542-H559 PolarHBondContact SG-NE2 2.79Å
543	G	59.6	Low	70.5	Confident	47 Å²	47	73.5 Å²	73.5	49%	0.485	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	25.2	171.9	0	0	0	0	0	115.3	E538 C539	E538-G543 WeakPolarHBondContact OE1-CA 3.37Å; C539-G543 PolarHBondContact O-N 3.39Å
544	S	63.8	Low	71.7	Confident	43 Å²	43	70.5 Å²	70.5	30%	0.301	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.8	-170.9	-67.4	0	0	0	0	110.6	E538 C539 C542 F546	E538-S544 CarbonylContact C-O 3.48Å; C539-S544 PolarHBondContact N-O 3.39Å; C542-S544 PolarHBondContact O-N 3.01Å; C542-S544 PolarHBondContact O-OG 2.96Å; C542-S544 PolarHBondContact SG-OG 3.47Å; C542-S544 VanDerWaalsContact SG-OG 3.35Å; S544-F546 WeakPolarHBondContact O-CD2 3.47Å; S544-F546 WeakPolarHBondContact O-CE2 3.44Å
545	C	73.6	Confident	72.7	Confident	39 Å²	39	68.6 Å²	68.6	26%	0.264	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.9	-175.5	-54.4	0	0	0	0	112.5	S529 H535	S529-C545 WeakPolarHBondContact O-CB 3.27Å; S529-C545 PolarHBondContact O-SG 2.92Å; H535-C545 HydrophobicContact CB-CB 3.89Å
546	F	74.8	Confident	73.3	Confident	43 Å²	43	69.1 Å²	69.1	19%	0.189	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.3	-179.7	-64.6	-89.9	0	0	0	111.6	H535 F537 C539 S544 L552 H555	H535-F546 CarbonylContact C-O 3.53Å; H535-F546 WeakPolarHBondContact CA-O 3.18Å; H535-F546 WeakPolarHBondContact CB-O 3.41Å; F537-F546 HydrophobicContact CB-CB 4.27Å; F537-F546 PolarHBondContact N-O 2.92Å; F537-F546 WeakPolarHBondContact O-CB 3.44Å; F537-F546 PolarHBondContact O-N 3.4Å; C539-F546 HydrophobicContact CB-CE2 4.17Å; S544-F546 WeakPolarHBondContact O-CD2 3.47Å; S544-F546 WeakPolarHBondContact O-CE2 3.44Å; F546-L552 HydrophobicContact CB-CB 4.02Å; F546-L552 HydrophobicContact CD2-CB 4.02Å; F546-L552 HydrophobicContact CD2-CD1 3.74Å; F546-L552 HydrophobicContact CD2-CG 4.48Å; F546-L552 HydrophobicContact CE2-CD1 4.08Å; F546-L552 HydrophobicContact CG-CB 4.1Å; F546-H555 HydrophobicContact CE1-CB 3.88Å; F546-H555 HydrophobicContact CE2-CB 4.05Å; F546-H555 AromaticContact CE2-CD2 3.48Å; F546-H555 VanDerWaalsContact CE2-CD2 3.48Å; F546-H555 WeakPolarHBondContact CE2-CD2 3.48Å; F546-H555 AromaticContact CE2-CG 3.73Å; F546-H555 HydrophobicContact CZ-CB 3.51Å; F546-H555 AromaticContact CZ-CD2 3.5Å; F546-H555 VanDerWaalsContact CZ-CD2 3.5Å; F546-H555 WeakPolarHBondContact CZ-CD2 3.33Å; F546-H555 AromaticContact CZ-CG 3.25Å; F546-H555 AromaticContact CZ-ND1 3.65Å
547	R	74.4	Confident	74.2	Confident	180 Å²	180	67.2 Å²	67.2	68%	0.679	34%	0.344	S	S	*	.	S	Bend	trans	-76	-24.5	-178.6	-165.5	178.2	56.7	176.1	-2.6	113.2	H535	H535-R547 WeakPolarHBondContact ND1-CA 3.4Å; H535-R547 WeakPolarHBondContact ND1-CB 3.25Å; H535-R547 PolarHBondContact ND1-N 3.37Å; H535-R547 VanDerWaalsContact ND1-N 3.18Å
548	D	77.6	Confident	74.5	Confident	41 Å²	41	69.5 Å²	69.5	22%	0.219	36%	0.359	C	S	.	.	S	Bend	trans	-150.4	147	-172.1	65.4	-80.2	0	0	0	110.9	F537 S550 T551 L552	F537-D548 VanDerWaalsContact CD2-C 3.42Å; D548-S550 PolarHBondContact O-N 3.1Å; D548-S550 VanDerWaalsContact O-N 3.12Å; D548-S550 WeakPolarHBondContact OD2-CA 3.42Å; D548-S550 VanDerWaalsContact OD2-CB 3.3Å; D548-S550 WeakPolarHBondContact OD2-CB 3.48Å; D548-S550 PolarHBondContact OD2-N 2.89Å; D548-S550 PolarHBondContact OD2-OG 3.33Å; D548-T551 VanDerWaalsContact CG-OG1 3.24Å; D548-T551 PolarHBondContact O-N 3.39Å; D548-T551 PolarHBondContact O-OG1 3.49Å; D548-T551 VanDerWaalsContact O-OG1 3.1Å; D548-T551 VanDerWaalsContact OD1-CG2 3.31Å; D548-T551 WeakPolarHBondContact OD1-CG2 3.48Å; D548-T551 PolarHBondContact OD1-OG1 2.94Å; D548-T551 PolarHBondContact OD2-N 3.24Å; D548-T551 PolarHBondContact OD2-OG1 3.45Å; D548-L552 PolarHBondContact O-N 3.03Å; D548-L552 VanDerWaalsContact O-N 3.17Å
549	E	78.1	Confident	74.7	Confident	98 Å²	98	67.8 Å²	67.8	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-29.6	179.8	-160.3	-146.6	128.7	0	0	111.8	F537 L552 K553	F537-E549 HydrophobicContact CD1-CB 3.89Å; F537-E549 HydrophobicContact CD1-CG 4.2Å; F537-E549 HydrophobicContact CE1-CB 3.67Å; F537-E549 HydrophobicContact CE1-CG 4.16Å; F537-E549 HydrophobicContact CG-CB 4.46Å; F537-E549 HydrophobicContact CZ-CB 4.07Å; E549-L552 PolarHBondContact O-N 2.87Å; E549-K553 WeakPolarHBondContact O-CB 3.34Å; E549-K553 PolarHBondContact O-N 2.84Å; E549-K553 IonicContact OE1-NZ 3.64Å; E549-K553 PolarHBondContact OE1-NZ 3.49Å
550	S	79.4	Confident	74.9	Confident	88 Å²	88	71.1 Å²	71.1	62%	0.615	37%	0.371	S	S	*	.	H	α-helix	trans	-69.2	-37.8	-177.5	92.6	0	0	0	0	112.3	D548 G554	D548-S550 PolarHBondContact O-N 3.1Å; D548-S550 VanDerWaalsContact O-N 3.12Å; D548-S550 WeakPolarHBondContact OD2-CA 3.42Å; D548-S550 VanDerWaalsContact OD2-CB 3.3Å; D548-S550 WeakPolarHBondContact OD2-CB 3.48Å; D548-S550 PolarHBondContact OD2-N 2.89Å; D548-S550 PolarHBondContact OD2-OG 3.33Å; S550-G554 PolarHBondContact O-N 3.16Å
551	T	76.6	Confident	75.2	Confident	64 Å²	64	66.2 Å²	66.2	39%	0.393	36%	0.359	S	S	.	.	H	α-helix	trans	-74.9	-38.6	173.8	54.7	0	0	0	0	112	D548 G554 H555	D548-T551 VanDerWaalsContact CG-OG1 3.24Å; D548-T551 PolarHBondContact O-N 3.39Å; D548-T551 PolarHBondContact O-OG1 3.49Å; D548-T551 VanDerWaalsContact O-OG1 3.1Å; D548-T551 VanDerWaalsContact OD1-CG2 3.31Å; D548-T551 WeakPolarHBondContact OD1-CG2 3.48Å; D548-T551 PolarHBondContact OD1-OG1 2.94Å; D548-T551 PolarHBondContact OD2-N 3.24Å; D548-T551 PolarHBondContact OD2-OG1 3.45Å; T551-G554 PolarHBondContact O-N 3.14Å; T551-H555 WeakPolarHBondContact O-CB 3.49Å; T551-H555 PolarHBondContact O-N 3.07Å
552	L	80.6	Confident	75.9	Confident	13 Å²	13	65.3 Å²	65.3	7%	0.068	36%	0.356	C	S	.	.	H	α-helix	trans	-58	-49.1	169.9	171.5	60.4	0	0	0	111.5	F537 E538 C539 F546 D548 E549 G554 H555 K556	F537-L552 HydrophobicContact CB-CB 4.05Å; F537-L552 HydrophobicContact CB-CD2 3.8Å; E538-L552 WeakPolarHBondContact O-CD1 3.46Å; E538-L552 VanDerWaalsContact O-CD2 3.28Å; E538-L552 WeakPolarHBondContact O-CD2 3.37Å; C539-L552 HydrophobicContact CB-CD1 3.58Å; F546-L552 HydrophobicContact CB-CB 4.02Å; F546-L552 HydrophobicContact CD2-CB 4.02Å; F546-L552 HydrophobicContact CD2-CD1 3.74Å; F546-L552 HydrophobicContact CD2-CG 4.48Å; F546-L552 HydrophobicContact CE2-CD1 4.08Å; F546-L552 HydrophobicContact CG-CB 4.1Å; D548-L552 PolarHBondContact O-N 3.03Å; D548-L552 VanDerWaalsContact O-N 3.17Å; E549-L552 PolarHBondContact O-N 2.87Å; L552-G554 VanDerWaalsContact C-N 3.33Å; L552-G554 PolarHBondContact O-N 3.28Å; L552-H555 CarbonylContact O-C 3.27Å; L552-H555 WeakPolarHBondContact O-CA 3.29Å; L552-H555 WeakPolarHBondContact O-CB 3.34Å; L552-H555 PolarHBondContact O-N 3.37Å; L552-K556 HydrophobicContact CD1-CD 4.49Å; L552-K556 HydrophobicContact CD1-CG 4.02Å; L552-K556 HydrophobicContact CG-CG 4.39Å; L552-K556 PolarHBondContact O-N 2.79Å
553	K	81.1	Confident	76.9	Confident	114 Å²	114	68.5 Å²	68.5	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-37	-179.5	-166.5	174.9	-139.5	140.7	0	111.7	E549 H555	E549-K553 WeakPolarHBondContact O-CB 3.34Å; E549-K553 PolarHBondContact O-N 2.84Å; E549-K553 IonicContact OE1-NZ 3.64Å; E549-K553 PolarHBondContact OE1-NZ 3.49Å; K553-H555 VanDerWaalsContact C-N 3.31Å
554	G	80.1	Confident	78.1	Confident	11 Å²	11	69.8 Å²	69.8	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-33.7	169.8	0	0	0	0	0	113.5	S550 T551 L552	S550-G554 PolarHBondContact O-N 3.16Å; T551-G554 PolarHBondContact O-N 3.14Å; L552-G554 VanDerWaalsContact C-N 3.33Å; L552-G554 PolarHBondContact O-N 3.28Å
555	H	78.9	Confident	79.2	Confident	34 Å²	34	71.4 Å²	71.4	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-78.5	-40.3	176.1	169.9	81.8	0	0	0	113.3	C539 C542 F546 T551 L552 K553 R557 I558 H559	C539-H555 PolarHBondContact SG-CD2 2.79Å; C542-H555 PolarHBondContact SG-NE2 2.82Å; F546-H555 HydrophobicContact CE1-CB 3.88Å; F546-H555 HydrophobicContact CE2-CB 4.05Å; F546-H555 AromaticContact CE2-CD2 3.48Å; F546-H555 VanDerWaalsContact CE2-CD2 3.48Å; F546-H555 WeakPolarHBondContact CE2-CD2 3.48Å; F546-H555 AromaticContact CE2-CG 3.73Å; F546-H555 HydrophobicContact CZ-CB 3.51Å; F546-H555 AromaticContact CZ-CD2 3.5Å; F546-H555 VanDerWaalsContact CZ-CD2 3.5Å; F546-H555 WeakPolarHBondContact CZ-CD2 3.33Å; F546-H555 AromaticContact CZ-CG 3.25Å; F546-H555 AromaticContact CZ-ND1 3.65Å; T551-H555 WeakPolarHBondContact O-CB 3.49Å; T551-H555 PolarHBondContact O-N 3.07Å; L552-H555 CarbonylContact O-C 3.27Å; L552-H555 WeakPolarHBondContact O-CA 3.29Å; L552-H555 WeakPolarHBondContact O-CB 3.34Å; L552-H555 PolarHBondContact O-N 3.37Å; K553-H555 VanDerWaalsContact C-N 3.31Å; H555-R557 PolarHBondContact O-N 3.44Å; H555-R557 VanDerWaalsContact O-N 3.09Å; H555-I558 VanDerWaalsContact O-CB 3.24Å; H555-I558 WeakPolarHBondContact O-CB 3.39Å; H555-I558 WeakPolarHBondContact O-CG1 3.44Å; H555-I558 PolarHBondContact O-N 3.25Å; H555-H559 AromaticContact CD2-NE2 3.9Å; H555-H559 AromaticContact CE1-NE2 3.63Å; H555-H559 AromaticContact NE2-CD2 3.82Å; H555-H559 AromaticContact NE2-NE2 3.08Å; H555-H559 PolarHBondContact NE2-NE2 2.94Å
556	K	76.4	Confident	80	Confident	50 Å²	50	73.2 Å²	73.2	22%	0.217	37%	0.368	C	S	.	.	H	α-helix	trans	-55.2	-30.5	177	-76.4	-166.8	-179.6	-170.6	0	112.6	E540 F541 L552 I558 H559 T560	E540-K556 IonicContact OE1-NZ 2.79Å; E540-K556 PolarHBondContact OE1-NZ 3.23Å; E540-K556 IonicContact OE2-NZ 3.87Å; E540-K556 PolarHBondContact OE2-NZ 2.85Å; F541-K556 HydrophobicContact CD2-CG 4.46Å; F541-K556 HydrophobicContact CE2-CD 4.41Å; F541-K556 HydrophobicContact CE2-CG 4.46Å; L552-K556 HydrophobicContact CD1-CD 4.49Å; L552-K556 HydrophobicContact CD1-CG 4.02Å; L552-K556 HydrophobicContact CG-CG 4.39Å; L552-K556 PolarHBondContact O-N 2.79Å; K556-I558 PolarHBondContact O-N 3.11Å; K556-H559 PolarHBondContact O-N 3.18Å; K556-T560 PolarHBondContact O-N 3.06Å; K556-T560 PolarHBondContact O-OG1 2.83Å
557	R	83.3	Confident	80.8	Confident	44 Å²	44	71.2 Å²	71.2	17%	0.166	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-15.9	172.7	-65.4	-173	175.7	148.9	7.2	115.5	H555 G561 E562 S575	H555-R557 PolarHBondContact O-N 3.44Å; H555-R557 VanDerWaalsContact O-N 3.09Å; R557-G561 CarbonylContact O-C 3.25Å; R557-G561 WeakPolarHBondContact O-CA 3.21Å; R557-G561 PolarHBondContact O-N 3.1Å; R557-G561 VanDerWaalsContact O-N 3.15Å; R557-E562 HydrophobicContact CB-CB 4.07Å; R557-E562 HydrophobicContact CG-CB 3.76Å; R557-E562 IonicContact NE-OE2 3.75Å; R557-E562 PolarHBondContact O-N 3.03Å; R557-S575 WeakPolarHBondContact CD-O 3.24Å; R557-S575 PolarHBondContact NH1-O 2.85Å
558	I	75.4	Confident	81.4	Confident	119 Å²	119	69.9 Å²	69.9	61%	0.61	37%	0.366	S	S	*	.	H	α-helix	trans	-72.3	-41	171.6	-57.8	175	0	0	0	109.3	H555 K556	H555-I558 VanDerWaalsContact O-CB 3.24Å; H555-I558 WeakPolarHBondContact O-CB 3.39Å; H555-I558 WeakPolarHBondContact O-CG1 3.44Å; H555-I558 PolarHBondContact O-N 3.25Å; K556-I558 PolarHBondContact O-N 3.11Å
559	H	73.9	Confident	81.6	Confident	79 Å²	79	70.3 Å²	70.3	37%	0.366	38%	0.38	S	S	.	.	H	α-helix	trans	-77.6	-45.8	178.6	-55.3	-62.5	0	0	0	112.3	F541 C542 H555 K556 G561	F541-H559 HydrophobicContact CB-CB 4.2Å; F541-H559 HydrophobicContact CD2-CB 3.86Å; F541-H559 AromaticContact CD2-CD2 3.76Å; F541-H559 HydrophobicContact CE2-CB 4.37Å; F541-H559 HydrophobicContact CG-CB 3.95Å; F541-H559 AromaticContact CG-CD2 3.98Å; F541-H559 AromaticContact CG-CG 3.96Å; C542-H559 PolarHBondContact SG-NE2 2.79Å; H555-H559 AromaticContact CD2-NE2 3.9Å; H555-H559 AromaticContact CE1-NE2 3.63Å; H555-H559 AromaticContact NE2-CD2 3.82Å; H555-H559 AromaticContact NE2-NE2 3.08Å; H555-H559 PolarHBondContact NE2-NE2 2.94Å; K556-H559 PolarHBondContact O-N 3.18Å; H559-G561 PolarHBondContact O-N 3.01Å
560	T	79.4	Confident	82.1	Confident	70 Å²	70	68.4 Å²	68.4	43%	0.429	38%	0.377	S	S	.	.	S	Bend	trans	-76.8	-9	178.4	67.1	0	0	0	0	113.7	F541 K556 E562	F541-T560 HydrophobicContact CE2-CG2 4.48Å; K556-T560 PolarHBondContact O-N 3.06Å; K556-T560 PolarHBondContact O-OG1 2.83Å; T560-E562 PolarHBondContact O-N 3.23Å; T560-E562 VanDerWaalsContact O-N 3.13Å; T560-E562 WeakPolarHBondContact OG1-CB 3.44Å; T560-E562 WeakPolarHBondContact OG1-CG 3.41Å; T560-E562 PolarHBondContact OG1-OE1 2.88Å; T560-E562 VanDerWaalsContact OG1-OE1 3.09Å
561	G	79.6	Confident	82.4	Confident	41 Å²	41	66.1 Å²	66.1	42%	0.423	37%	0.367	S	S	.	.			trans	68.8	2.4	-176.6	0	0	0	0	0	115.2	R557 H559 K563	R557-G561 CarbonylContact O-C 3.25Å; R557-G561 WeakPolarHBondContact O-CA 3.21Å; R557-G561 PolarHBondContact O-N 3.1Å; R557-G561 VanDerWaalsContact O-N 3.15Å; H559-G561 PolarHBondContact O-N 3.01Å; G561-K563 WeakPolarHBondContact O-CG 3.46Å; G561-K563 PolarHBondContact O-N 3.01Å
562	E	83.1	Confident	82.9	Confident	99 Å²	99	68.9 Å²	68.9	46%	0.463	37%	0.374	S	S	.	.			trans	-55	123.9	-176.7	-92.6	174.9	-124.4	0	0	113.6	R557 T560 S575	R557-E562 HydrophobicContact CB-CB 4.07Å; R557-E562 HydrophobicContact CG-CB 3.76Å; R557-E562 IonicContact NE-OE2 3.75Å; R557-E562 PolarHBondContact O-N 3.03Å; T560-E562 PolarHBondContact O-N 3.23Å; T560-E562 VanDerWaalsContact O-N 3.13Å; T560-E562 WeakPolarHBondContact OG1-CB 3.44Å; T560-E562 WeakPolarHBondContact OG1-CG 3.41Å; T560-E562 PolarHBondContact OG1-OE1 2.88Å; T560-E562 VanDerWaalsContact OG1-OE1 3.09Å; E562-S575 WeakPolarHBondContact O-CB 3.12Å
563	K	84.4	Confident	83.2	Confident	121 Å²	121	73.6 Å²	73.6	53%	0.526	39%	0.394	S	S	.	.			trans	-128.4	72.7	178.9	-70.5	163.2	-167.3	172	0	110.8	G561 Y565 K573 F574	G561-K563 WeakPolarHBondContact O-CG 3.46Å; G561-K563 PolarHBondContact O-N 3.01Å; K563-Y565 VanDerWaalsContact C-N 3.26Å; K563-Y565 PolarHBondContact O-N 2.79Å; K563-K573 HydrophobicContact CB-CB 3.58Å; K563-F574 CarbonylContact C-O 3.47Å; K563-F574 VanDerWaalsContact C-O 3.25Å; K563-F574 VanDerWaalsContact CA-O 3.24Å; K563-F574 WeakPolarHBondContact CA-O 3.3Å
564	P	85.1	Confident	83.3	Confident	74 Å²	74	70.1 Å²	70.1	48%	0.481	38%	0.378	S	S	.	.			trans	-76.1	-6.6	-173.9	31.1	-36	0	0	0	114.5
565	Y	87.1	Confident	83.4	Confident	77 Å²	77	70.5 Å²	70.5	30%	0.302	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	102	179.7	-55.7	-68.3	0	0	0	110.5	K563 K573 F574 S575 K577	K563-Y565 VanDerWaalsContact C-N 3.26Å; K563-Y565 PolarHBondContact O-N 2.79Å; Y565-K573 CarbonylContact O-C 3.55Å; Y565-K573 WeakPolarHBondContact O-CA 3.38Å; Y565-F574 PolarHBondContact N-O 2.77Å; Y565-F574 VanDerWaalsContact N-O 3.11Å; Y565-F574 PolarHBondContact O-N 2.75Å; Y565-S575 WeakPolarHBondContact CE2-O 3.21Å; Y565-K577 HydrophobicContact CD1-CB 4.22Å; Y565-K577 HydrophobicContact CD2-CB 4.47Å; Y565-K577 VanDerWaalsContact CD2-N 3.33Å; Y565-K577 HydrophobicContact CE1-CB 4Å; Y565-K577 HydrophobicContact CE1-CG 4.47Å; Y565-K577 HydrophobicContact CE2-CB 4.23Å; Y565-K577 VanDerWaalsContact CE2-N 3.3Å; Y565-K577 HydrophobicContact CG-CB 4.46Å
566	E	90.6	Very high	83.5	Confident	78 Å²	78	71.3 Å²	71.3	36%	0.364	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	144.9	-179.2	-174.8	156.2	-160.4	0	0	112.7	K573 L580	E566-K573 HydrophobicContact CB-CG 4.22Å; E566-K573 HydrophobicContact CG-CD 4.42Å; E566-K573 HydrophobicContact CG-CG 4.04Å; E566-K573 WeakPolarHBondContact OE1-CE 3.18Å; E566-K573 IonicContact OE1-NZ 3.64Å; E566-K573 PolarHBondContact OE1-NZ 2.88Å; E566-K573 VanDerWaalsContact OE2-CE 3.27Å; E566-K573 WeakPolarHBondContact OE2-CE 3.35Å; E566-K573 IonicContact OE2-NZ 3.18Å; E566-K573 PolarHBondContact OE2-NZ 3.35Å; E566-L580 VanDerWaalsContact O-CD2 3.31Å; E566-L580 WeakPolarHBondContact O-CD2 3.24Å
567	C	91.1	Very high	83.8	Confident	0 Å²	0	76 Å²	76	0%	0	41%	0.405	C	S	.	.			trans	-91.5	108.2	174.2	-173.3	0	0	0	0	110.9	G569 C570 G571 K572 F574 L580 Y584	C567-G569 PolarHBondContact O-N 2.79Å; C567-C570 PolarHBondContact O-N 3.46Å; C567-G571 PolarHBondContact O-N 2.86Å; C567-K572 HydrophobicContact CB-CB 4.49Å; C567-K572 WeakPolarHBondContact CB-O 3.29Å; C567-K572 PolarHBondContact N-O 3.06Å; C567-F574 HydrophobicContact CB-CE2 4.39Å; C567-L580 HydrophobicContact CB-CD1 3.53Å; C567-Y584 WeakPolarHBondContact SG-CE1 3.44Å
568	N	87	Confident	83.7	Confident	152 Å²	152	79.1 Å²	79.1	81%	0.813	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.5	179.5	-61.1	7.9	0	0	0	112.9	Y584	N568-Y584 PolarHBondContact N-OH 3.28Å
569	G	83.1	Confident	84	Confident	50 Å²	50	76.5 Å²	76.5	52%	0.515	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12	177.1	0	0	0	0	0	115.9	C567 H587	C567-G569 PolarHBondContact O-N 2.79Å; G569-H587 PolarHBondContact O-CE1 3.23Å
570	C	87.8	Confident	84.7	Confident	58 Å²	58	73.7 Å²	73.7	39%	0.392	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.3	13.4	177.2	65.6	0	0	0	0	117	C567 K572 H583 H587	C567-C570 PolarHBondContact O-N 3.46Å; C570-K572 PolarHBondContact O-N 3.15Å; C570-K572 VanDerWaalsContact O-N 3.11Å; C570-H583 PolarHBondContact SG-NE2 3.48Å; C570-H587 PolarHBondContact SG-NE2 2.74Å; C570-H587 VanDerWaalsContact SG-NE2 3.4Å
571	G	86.3	Confident	84.9	Confident	40 Å²	40	75.2 Å²	75.2	41%	0.412	40%	0.396	S	S	.	.			trans	67.9	6.2	178.8	0	0	0	0	0	115.5	C567 K573	C567-G571 PolarHBondContact O-N 2.86Å; G571-K573 WeakPolarHBondContact O-CG 3.48Å; G571-K573 PolarHBondContact O-N 3.19Å
572	K	85.8	Confident	85.1	Confident	122 Å²	122	75 Å²	75	53%	0.53	39%	0.387	S	S	.	.			trans	-74.1	126.4	179.9	-74.3	179.9	-177.1	169.1	0	110.7	C567 C570 F574	C567-K572 HydrophobicContact CB-CB 4.49Å; C567-K572 WeakPolarHBondContact CB-O 3.29Å; C567-K572 PolarHBondContact N-O 3.06Å; C570-K572 PolarHBondContact O-N 3.15Å; C570-K572 VanDerWaalsContact O-N 3.11Å; K572-F574 HydrophobicContact CB-CE2 3.83Å; K572-F574 HydrophobicContact CB-CZ 4Å; K572-F574 WeakPolarHBondContact O-CD2 3.32Å; K572-F574 VanDerWaalsContact O-CE2 3.27Å; K572-F574 WeakPolarHBondContact O-CE2 3.3Å
573	K	87.4	Confident	85.2	Confident	112 Å²	112	71.5 Å²	71.5	49%	0.487	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.7	-175.9	-42.2	-160.2	-168.5	-140.8	0	111.7	K563 Y565 E566 G571	K563-K573 HydrophobicContact CB-CB 3.58Å; Y565-K573 CarbonylContact O-C 3.55Å; Y565-K573 WeakPolarHBondContact O-CA 3.38Å; E566-K573 HydrophobicContact CB-CG 4.22Å; E566-K573 HydrophobicContact CG-CD 4.42Å; E566-K573 HydrophobicContact CG-CG 4.04Å; E566-K573 WeakPolarHBondContact OE1-CE 3.18Å; E566-K573 IonicContact OE1-NZ 3.64Å; E566-K573 PolarHBondContact OE1-NZ 2.88Å; E566-K573 VanDerWaalsContact OE2-CE 3.27Å; E566-K573 WeakPolarHBondContact OE2-CE 3.35Å; E566-K573 IonicContact OE2-NZ 3.18Å; E566-K573 PolarHBondContact OE2-NZ 3.35Å; G571-K573 WeakPolarHBondContact O-CG 3.48Å; G571-K573 PolarHBondContact O-N 3.19Å
574	F	84.1	Confident	85.3	Confident	41 Å²	41	69.7 Å²	69.7	18%	0.18	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.6	-174.6	-59.1	-88.3	0	0	0	111.2	K563 Y565 C567 K572 Q579 L580 H583	K563-F574 CarbonylContact C-O 3.47Å; K563-F574 VanDerWaalsContact C-O 3.25Å; K563-F574 VanDerWaalsContact CA-O 3.24Å; K563-F574 WeakPolarHBondContact CA-O 3.3Å; Y565-F574 PolarHBondContact N-O 2.77Å; Y565-F574 VanDerWaalsContact N-O 3.11Å; Y565-F574 PolarHBondContact O-N 2.75Å; C567-F574 HydrophobicContact CB-CE2 4.39Å; K572-F574 HydrophobicContact CB-CE2 3.83Å; K572-F574 HydrophobicContact CB-CZ 4Å; K572-F574 WeakPolarHBondContact O-CD2 3.32Å; K572-F574 VanDerWaalsContact O-CE2 3.27Å; K572-F574 WeakPolarHBondContact O-CE2 3.3Å; F574-Q579 HydrophobicContact CB-CB 4.01Å; F574-Q579 HydrophobicContact CD1-CB 3.68Å; F574-Q579 HydrophobicContact CG-CB 4.07Å; F574-L580 HydrophobicContact CB-CB 4.44Å; F574-L580 HydrophobicContact CD2-CB 3.95Å; F574-L580 HydrophobicContact CD2-CD1 3.96Å; F574-L580 HydrophobicContact CE2-CD1 4.09Å; F574-L580 HydrophobicContact CG-CB 4.36Å; F574-H583 HydrophobicContact CE1-CB 4.15Å; F574-H583 HydrophobicContact CE2-CB 3.98Å; F574-H583 AromaticContact CE2-CD2 3.36Å; F574-H583 WeakPolarHBondContact CE2-CD2 3.23Å; F574-H583 AromaticContact CE2-CG 3.79Å; F574-H583 HydrophobicContact CZ-CB 3.57Å; F574-H583 AromaticContact CZ-CD2 3.34Å; F574-H583 WeakPolarHBondContact CZ-CD2 3.37Å; F574-H583 AromaticContact CZ-CG 3.35Å
575	S	81.4	Confident	85.4	Confident	20 Å²	20	68.4 Å²	68.4	14%	0.14	35%	0.347	C	S	.	.	S	Bend	trans	-81.6	-23.2	179.7	54.4	0	0	0	0	113.2	R557 E562 Y565	R557-S575 WeakPolarHBondContact CD-O 3.24Å; R557-S575 PolarHBondContact NH1-O 2.85Å; E562-S575 WeakPolarHBondContact O-CB 3.12Å; Y565-S575 WeakPolarHBondContact CE2-O 3.21Å
576	L	81.5	Confident	85.2	Confident	51 Å²	51	68 Å²	68	27%	0.267	35%	0.352	S	S	.	.	S	Bend	trans	-130.5	138	-176.9	-57.4	175.6	0	0	0	112.5	H578 Q579	L576-H578 VanDerWaalsContact C-N 3.32Å; L576-H578 PolarHBondContact O-N 3.41Å; L576-Q579 HydrophobicContact CB-CG 4.16Å; L576-Q579 WeakPolarHBondContact O-CB 3.34Å; L576-Q579 PolarHBondContact O-N 3.46Å
577	K	83.1	Confident	85	Confident	147 Å²	147	68.7 Å²	68.7	64%	0.639	36%	0.355	S	S	*	.	H	α-helix	trans	-56.5	-39.3	-173.9	-174.2	-178.4	175.9	-175.8	0	113.8	Y565 Q579 L580 E581	Y565-K577 HydrophobicContact CD1-CB 4.22Å; Y565-K577 HydrophobicContact CD2-CB 4.47Å; Y565-K577 VanDerWaalsContact CD2-N 3.33Å; Y565-K577 HydrophobicContact CE1-CB 4Å; Y565-K577 HydrophobicContact CE1-CG 4.47Å; Y565-K577 HydrophobicContact CE2-CB 4.23Å; Y565-K577 VanDerWaalsContact CE2-N 3.3Å; Y565-K577 HydrophobicContact CG-CB 4.46Å; K577-Q579 PolarHBondContact O-N 2.91Å; K577-L580 WeakPolarHBondContact O-CB 3.01Å; K577-L580 PolarHBondContact O-N 3.11Å; K577-E581 PolarHBondContact O-N 3.17Å
578	H	80.7	Confident	84.7	Confident	111 Å²	111	72.8 Å²	72.8	51%	0.514	38%	0.38	S	S	.	.	H	α-helix	trans	-66.8	-24.9	180	68.8	-107	0	0	0	113.1	L576 T582	L576-H578 VanDerWaalsContact C-N 3.32Å; L576-H578 PolarHBondContact O-N 3.41Å; H578-T582 WeakPolarHBondContact O-CB 3.27Å; H578-T582 WeakPolarHBondContact O-CG2 3.36Å; H578-T582 PolarHBondContact O-N 2.73Å; H578-T582 PolarHBondContact O-OG1 2.67Å
579	Q	81.8	Confident	84.5	Confident	64 Å²	64	67.7 Å²	67.7	30%	0.299	36%	0.364	S	S	.	.	H	α-helix	trans	-71.9	-39.9	175.4	-60.4	173.6	-9.3	0	0	110.3	F574 L576 K577 T582 H583	F574-Q579 HydrophobicContact CB-CB 4.01Å; F574-Q579 HydrophobicContact CD1-CB 3.68Å; F574-Q579 HydrophobicContact CG-CB 4.07Å; L576-Q579 HydrophobicContact CB-CG 4.16Å; L576-Q579 WeakPolarHBondContact O-CB 3.34Å; L576-Q579 PolarHBondContact O-N 3.46Å; K577-Q579 PolarHBondContact O-N 2.91Å; Q579-T582 PolarHBondContact O-OG1 3.24Å; Q579-H583 WeakPolarHBondContact O-CB 3.41Å; Q579-H583 PolarHBondContact O-N 3.4Å
580	L	87.5	Confident	84.6	Confident	19 Å²	19	70.5 Å²	70.5	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-43.3	172	174.2	60.5	0	0	0	111.4	E566 C567 F574 K577 H583 Y584	E566-L580 VanDerWaalsContact O-CD2 3.31Å; E566-L580 WeakPolarHBondContact O-CD2 3.24Å; C567-L580 HydrophobicContact CB-CD1 3.53Å; F574-L580 HydrophobicContact CB-CB 4.44Å; F574-L580 HydrophobicContact CD2-CB 3.95Å; F574-L580 HydrophobicContact CD2-CD1 3.96Å; F574-L580 HydrophobicContact CE2-CD1 4.09Å; F574-L580 HydrophobicContact CG-CB 4.36Å; K577-L580 WeakPolarHBondContact O-CB 3.01Å; K577-L580 PolarHBondContact O-N 3.11Å; L580-H583 CarbonylContact O-C 3.49Å; L580-H583 WeakPolarHBondContact O-CB 3.49Å; L580-H583 PolarHBondContact O-N 3.13Å; L580-Y584 HydrophobicContact CD1-CD2 3.92Å; L580-Y584 HydrophobicContact CD1-CE2 3.47Å; L580-Y584 VanDerWaalsContact CD1-CE2 3.47Å; L580-Y584 HydrophobicContact CD2-CE2 3.92Å; L580-Y584 HydrophobicContact CG-CD2 3.92Å; L580-Y584 HydrophobicContact CG-CE2 3.52Å; L580-Y584 VanDerWaalsContact O-CD2 3.31Å; L580-Y584 WeakPolarHBondContact O-CD2 3.23Å; L580-Y584 PolarHBondContact O-N 3.02Å
581	E	85.3	Confident	84.4	Confident	102 Å²	102	72.6 Å²	72.6	48%	0.477	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-48.8	178	-166.8	-156.3	122.6	0	0	112.5	K577 H583 Y584 R585	K577-E581 PolarHBondContact O-N 3.17Å; E581-H583 PolarHBondContact O-N 3.35Å; E581-Y584 PolarHBondContact O-N 2.79Å; E581-R585 IonicContact OE1-CZ 3.83Å; E581-R585 IonicContact OE1-NH2 2.78Å; E581-R585 PolarHBondContact OE1-NH2 2.95Å
582	T	83.2	Confident	84.2	Confident	38 Å²	38	74 Å²	74	23%	0.233	37%	0.367	C	S	.	.	H	α-helix	trans	-66.5	-22.9	174.6	51	0	0	0	0	112.7	H578 Q579	H578-T582 WeakPolarHBondContact O-CB 3.27Å; H578-T582 WeakPolarHBondContact O-CG2 3.36Å; H578-T582 PolarHBondContact O-N 2.73Å; H578-T582 PolarHBondContact O-OG1 2.67Å; Q579-T582 PolarHBondContact O-OG1 3.24Å
583	H	86.1	Confident	84	Confident	24 Å²	24	71.3 Å²	71.3	11%	0.111	36%	0.356	C	S	.	.	H	α-helix	trans	-76.3	-36	170.5	178.6	51.7	0	0	0	113.5	C570 F574 Q579 L580 E581 R585 V586 H587	C570-H583 PolarHBondContact SG-NE2 3.48Å; F574-H583 HydrophobicContact CE1-CB 4.15Å; F574-H583 HydrophobicContact CE2-CB 3.98Å; F574-H583 AromaticContact CE2-CD2 3.36Å; F574-H583 WeakPolarHBondContact CE2-CD2 3.23Å; F574-H583 AromaticContact CE2-CG 3.79Å; F574-H583 HydrophobicContact CZ-CB 3.57Å; F574-H583 AromaticContact CZ-CD2 3.34Å; F574-H583 WeakPolarHBondContact CZ-CD2 3.37Å; F574-H583 AromaticContact CZ-CG 3.35Å; Q579-H583 WeakPolarHBondContact O-CB 3.41Å; Q579-H583 PolarHBondContact O-N 3.4Å; L580-H583 CarbonylContact O-C 3.49Å; L580-H583 WeakPolarHBondContact O-CB 3.49Å; L580-H583 PolarHBondContact O-N 3.13Å; E581-H583 PolarHBondContact O-N 3.35Å; H583-R585 PolarHBondContact O-N 3.21Å; H583-R585 VanDerWaalsContact O-N 3.16Å; H583-V586 WeakPolarHBondContact O-CA 3.34Å; H583-V586 WeakPolarHBondContact O-CB 3.3Å; H583-V586 WeakPolarHBondContact O-CG2 3.45Å; H583-V586 PolarHBondContact O-N 3.37Å; H583-H587 AromaticContact NE2-NE2 3.78Å
584	Y	86	Confident	83.9	Confident	84 Å²	84	69.9 Å²	69.9	33%	0.329	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-29.9	174.1	-84.3	-61	0	0	0	112.2	C567 N568 L580 E581 V586 H587 T588	C567-Y584 WeakPolarHBondContact SG-CE1 3.44Å; N568-Y584 PolarHBondContact N-OH 3.28Å; L580-Y584 HydrophobicContact CD1-CD2 3.92Å; L580-Y584 HydrophobicContact CD1-CE2 3.47Å; L580-Y584 VanDerWaalsContact CD1-CE2 3.47Å; L580-Y584 HydrophobicContact CD2-CE2 3.92Å; L580-Y584 HydrophobicContact CG-CD2 3.92Å; L580-Y584 HydrophobicContact CG-CE2 3.52Å; L580-Y584 VanDerWaalsContact O-CD2 3.31Å; L580-Y584 WeakPolarHBondContact O-CD2 3.23Å; L580-Y584 PolarHBondContact O-N 3.02Å; E581-Y584 PolarHBondContact O-N 2.79Å; Y584-V586 PolarHBondContact O-N 2.82Å; Y584-V586 VanDerWaalsContact O-N 3.11Å; Y584-H587 WeakPolarHBondContact O-CA 3.45Å; Y584-H587 WeakPolarHBondContact O-CB 3.39Å; Y584-H587 PolarHBondContact O-N 2.92Å; Y584-T588 PolarHBondContact O-N 3.39Å; Y584-T588 VanDerWaalsContact O-N 3.09Å
585	R	86.1	Confident	83.7	Confident	47 Å²	47	68 Å²	68	18%	0.177	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-15.2	171.5	-57.3	179.7	-164.4	164.7	4.5	114.4	E581 H583 T588 G589 E590 R603	E581-R585 IonicContact OE1-CZ 3.83Å; E581-R585 IonicContact OE1-NH2 2.78Å; E581-R585 PolarHBondContact OE1-NH2 2.95Å; H583-R585 PolarHBondContact O-N 3.21Å; H583-R585 VanDerWaalsContact O-N 3.16Å; R585-T588 WeakPolarHBondContact CA-OG1 3.42Å; R585-G589 CarbonylContact O-C 3.59Å; R585-G589 WeakPolarHBondContact O-CA 3.41Å; R585-G589 PolarHBondContact O-N 2.78Å; R585-G589 VanDerWaalsContact O-N 3.12Å; R585-E590 HydrophobicContact CB-CB 4.3Å; R585-E590 HydrophobicContact CG-CB 4.35Å; R585-E590 PolarHBondContact O-N 3.07Å; R585-R603 HydrophobicContact CB-CB 4.22Å; R585-R603 WeakPolarHBondContact CD-O 3.3Å; R585-R603 PolarHBondContact NH1-O 3.48Å; R585-R603 WeakPolarHBondContact O-CD 3.48Å
586	V	84.3	Confident	83.7	Confident	68 Å²	68	76.3 Å²	76.3	41%	0.412	38%	0.376	S	S	.	.	H	α-helix	trans	-74.4	-32.1	169.9	-175.8	0	0	0	0	111.2	H583 Y584	H583-V586 WeakPolarHBondContact O-CA 3.34Å; H583-V586 WeakPolarHBondContact O-CB 3.3Å; H583-V586 WeakPolarHBondContact O-CG2 3.45Å; H583-V586 PolarHBondContact O-N 3.37Å; Y584-V586 PolarHBondContact O-N 2.82Å; Y584-V586 VanDerWaalsContact O-N 3.11Å
587	H	85.4	Confident	83.4	Confident	93 Å²	93	79.6 Å²	79.6	43%	0.431	39%	0.394	S	S	.	.	H	α-helix	trans	-82.8	-42.2	177.3	-69.7	-84.1	0	0	0	112.5	G569 C570 H583 Y584 G589	G569-H587 PolarHBondContact O-CE1 3.23Å; C570-H587 PolarHBondContact SG-NE2 2.74Å; C570-H587 VanDerWaalsContact SG-NE2 3.4Å; H583-H587 AromaticContact NE2-NE2 3.78Å; Y584-H587 WeakPolarHBondContact O-CA 3.45Å; Y584-H587 WeakPolarHBondContact O-CB 3.39Å; Y584-H587 PolarHBondContact O-N 2.92Å; H587-G589 VanDerWaalsContact C-N 3.26Å; H587-G589 PolarHBondContact O-N 3.01Å
588	T	84.1	Confident	83.3	Confident	86 Å²	86	74.8 Å²	74.8	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-75.6	-15.3	175.3	60.4	0	0	0	0	113	Y584 R585 E590	Y584-T588 PolarHBondContact O-N 3.39Å; Y584-T588 VanDerWaalsContact O-N 3.09Å; R585-T588 WeakPolarHBondContact CA-OG1 3.42Å; T588-E590 PolarHBondContact O-N 2.93Å; T588-E590 VanDerWaalsContact OG1-CG 3.27Å; T588-E590 WeakPolarHBondContact OG1-CG 3.43Å; T588-E590 PolarHBondContact OG1-N 3.33Å; T588-E590 PolarHBondContact OG1-OE2 3.03Å
589	G	83.5	Confident	83.3	Confident	45 Å²	45	75.6 Å²	75.6	46%	0.464	38%	0.382	S	S	.	.			trans	75.3	-0.2	-175.6	0	0	0	0	0	114.5	R585 H587 K591	R585-G589 CarbonylContact O-C 3.59Å; R585-G589 WeakPolarHBondContact O-CA 3.41Å; R585-G589 PolarHBondContact O-N 2.78Å; R585-G589 VanDerWaalsContact O-N 3.12Å; H587-G589 VanDerWaalsContact C-N 3.26Å; H587-G589 PolarHBondContact O-N 3.01Å; G589-K591 PolarHBondContact O-N 2.95Å
590	E	84.5	Confident	83.3	Confident	109 Å²	109	78.1 Å²	78.1	51%	0.509	39%	0.394	S	S	.	.			trans	-59.4	128.1	-173	-73.1	166.3	147.2	0	0	113.1	R585 T588 R603	R585-E590 HydrophobicContact CB-CB 4.3Å; R585-E590 HydrophobicContact CG-CB 4.35Å; R585-E590 PolarHBondContact O-N 3.07Å; T588-E590 PolarHBondContact O-N 2.93Å; T588-E590 VanDerWaalsContact OG1-CG 3.27Å; T588-E590 WeakPolarHBondContact OG1-CG 3.43Å; T588-E590 PolarHBondContact OG1-N 3.33Å; T588-E590 PolarHBondContact OG1-OE2 3.03Å; E590-R603 WeakPolarHBondContact O-CG 3.34Å
591	K	84.3	Confident	83.2	Confident	101 Å²	101	82.5 Å²	82.5	44%	0.439	41%	0.409	S	S	.	.			trans	-125.1	76.9	174.8	-63.5	167.8	177.9	-176.1	0	109.2	G589 F593 R601 S602 R603	G589-K591 PolarHBondContact O-N 2.95Å; K591-F593 VanDerWaalsContact C-N 3.32Å; K591-F593 PolarHBondContact O-N 3.19Å; K591-R601 HydrophobicContact CB-CB 3.48Å; K591-R601 VanDerWaalsContact CB-CB 3.48Å; K591-R601 HydrophobicContact CD-CB 3.92Å; K591-R601 WeakPolarHBondContact CD-O 3.4Å; K591-R601 HydrophobicContact CG-CB 4.31Å; K591-R601 PolarHBondContact O-NE 3.13Å; K591-R601 PolarHBondContact O-NH2 3.34Å; K591-S602 CarbonylContact C-O 3.49Å; K591-S602 VanDerWaalsContact C-O 3.28Å; K591-S602 WeakPolarHBondContact CA-O 3.33Å; K591-R603 HydrophobicContact CG-CG 4.04Å
592	P	82.1	Confident	83.1	Confident	69 Å²	69	78.4 Å²	78.4	45%	0.448	39%	0.392	S	S	.	.			trans	-67.5	-31.2	-172.5	25.2	-33.1	0	0	0	112.8	R601	P592-R601 PolarHBondContact O-NH2 3.47Å
593	F	82.7	Confident	82.8	Confident	66 Å²	66	82 Å²	82	29%	0.289	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.2	179.5	-50.3	-78.3	0	0	0	111	K591 R601 S602 D604 Y605 M608	K591-F593 VanDerWaalsContact C-N 3.32Å; K591-F593 PolarHBondContact O-N 3.19Å; F593-R601 CarbonylContact O-C 3.17Å; F593-R601 WeakPolarHBondContact O-CA 3.21Å; F593-R601 WeakPolarHBondContact O-CB 3.16Å; F593-S602 PolarHBondContact N-O 3.29Å; F593-S602 PolarHBondContact O-N 2.66Å; F593-D604 VanDerWaalsContact CD2-C 3.41Å; F593-Y605 HydrophobicContact CD1-CD2 4.13Å; F593-Y605 HydrophobicContact CE1-CD2 4.03Å; F593-Y605 VanDerWaalsContact CE2-N 3.32Å; F593-M608 HydrophobicContact CB-CB 4.22Å; F593-M608 HydrophobicContact CB-CE 3.93Å; F593-M608 HydrophobicContact CB-CG 4.42Å; F593-M608 WeakPolarHBondContact O-CE 3.49Å
594	E	84.8	Confident	82.5	Confident	83 Å²	83	83.2 Å²	83.2	39%	0.388	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.7	179	-177.7	-179.2	162.9	0	0	111.1	H599 R601 M608	E594-H599 IonicContact OE1-CE1 2.9Å; E594-H599 IonicContact OE1-CG 3.56Å; E594-H599 IonicContact OE1-ND1 3.98Å; E594-H599 PolarHBondContact OE1-ND1 2.99Å; E594-R601 HydrophobicContact CB-CG 4.37Å; E594-R601 HydrophobicContact CG-CG 4.26Å; E594-R601 IonicContact OE2-CZ 3Å; E594-R601 IonicContact OE2-NH1 3.52Å; E594-R601 PolarHBondContact OE2-NH1 2.88Å; E594-R601 IonicContact OE2-NH2 3.24Å; E594-M608 VanDerWaalsContact C-CE 3.47Å
595	C	80	Confident	81.9	Confident	1 Å²	1	85.8 Å²	85.8	1%	0.007	42%	0.418	C	S	.	.			trans	-82.5	114.8	173.6	-177.3	0	0	0	0	110.5	L597 C598 H599 Q600 M608 H611 H615	C595-L597 PolarHBondContact O-N 3.35Å; C595-C598 PolarHBondContact O-N 3.46Å; C595-H599 VanDerWaalsContact O-CA 3.25Å; C595-H599 WeakPolarHBondContact O-CA 3.39Å; C595-H599 PolarHBondContact O-N 3.33Å; C595-Q600 HydrophobicContact CB-CB 4.49Å; C595-Q600 WeakPolarHBondContact CB-O 3.3Å; C595-Q600 PolarHBondContact N-O 3.01Å; C595-M608 HydrophobicContact CB-CE 4.25Å; C595-M608 HydrophobicContact CB-SD 3.82Å; C595-H611 PolarHBondContact SG-NE2 2.84Å; C595-H615 PolarHBondContact SG-NE2 2.75Å
596	K	81	Confident	81.4	Confident	194 Å²	194	86.8 Å²	86.8	84%	0.843	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-10	177.8	-66	-168.6	176	-171.2	0	115.3
597	L	75.6	Confident	81.1	Confident	120 Å²	120	85.7 Å²	85.7	63%	0.628	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-20.5	-177.5	-58	175.8	0	0	0	113.6	C595 H615	C595-L597 PolarHBondContact O-N 3.35Å; L597-H615 HydrophobicContact CD1-CB 3.57Å
598	C	80.3	Confident	80.8	Confident	47 Å²	47	81.8 Å²	81.8	32%	0.318	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.5	12.6	-177.4	66	0	0	0	0	114.4	C595 Q600 H611 H615	C595-C598 PolarHBondContact O-N 3.46Å; C598-Q600 PolarHBondContact O-N 3.24Å; C598-H611 PolarHBondContact SG-NE2 3.42Å; C598-H615 PolarHBondContact SG-CE1 2.76Å; C598-H615 PolarHBondContact SG-NE2 3.09Å; C598-H615 VanDerWaalsContact SG-NE2 3.39Å
599	H	81.8	Confident	80.4	Confident	127 Å²	127	80.4 Å²	80.4	59%	0.588	40%	0.402	S	S	*	.			trans	57.2	8.3	178.6	-56.3	-73.4	0	0	0	116.4	E594 C595 R601	E594-H599 IonicContact OE1-CE1 2.9Å; E594-H599 IonicContact OE1-CG 3.56Å; E594-H599 IonicContact OE1-ND1 3.98Å; E594-H599 PolarHBondContact OE1-ND1 2.99Å; C595-H599 VanDerWaalsContact O-CA 3.25Å; C595-H599 WeakPolarHBondContact O-CA 3.39Å; C595-H599 PolarHBondContact O-N 3.33Å; H599-R601 WeakPolarHBondContact O-CG 3.47Å; H599-R601 PolarHBondContact O-N 3.3Å
600	Q	81.5	Confident	79.9	Confident	118 Å²	118	83.9 Å²	83.9	55%	0.551	40%	0.404	S	S	*	.			trans	-62.5	131.6	173.4	-73.1	-62.7	-23.5	0	0	111	C595 C598	C595-Q600 HydrophobicContact CB-CB 4.49Å; C595-Q600 WeakPolarHBondContact CB-O 3.3Å; C595-Q600 PolarHBondContact N-O 3.01Å; C598-Q600 PolarHBondContact O-N 3.24Å
601	R	83.9	Confident	79.5	Confident	111 Å²	111	80.3 Å²	80.3	42%	0.419	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139	-175.5	-46.9	-173.8	72	88.2	15.9	112.4	K591 P592 F593 E594 H599	K591-R601 HydrophobicContact CB-CB 3.48Å; K591-R601 VanDerWaalsContact CB-CB 3.48Å; K591-R601 HydrophobicContact CD-CB 3.92Å; K591-R601 WeakPolarHBondContact CD-O 3.4Å; K591-R601 HydrophobicContact CG-CB 4.31Å; K591-R601 PolarHBondContact O-NE 3.13Å; K591-R601 PolarHBondContact O-NH2 3.34Å; P592-R601 PolarHBondContact O-NH2 3.47Å; F593-R601 CarbonylContact O-C 3.17Å; F593-R601 WeakPolarHBondContact O-CA 3.21Å; F593-R601 WeakPolarHBondContact O-CB 3.16Å; E594-R601 HydrophobicContact CB-CG 4.37Å; E594-R601 HydrophobicContact CG-CG 4.26Å; E594-R601 IonicContact OE2-CZ 3Å; E594-R601 IonicContact OE2-NH1 3.52Å; E594-R601 PolarHBondContact OE2-NH1 2.88Å; E594-R601 IonicContact OE2-NH2 3.24Å; H599-R601 WeakPolarHBondContact O-CG 3.47Å; H599-R601 PolarHBondContact O-N 3.3Å
602	S	83	Confident	78.8	Confident	16 Å²	16	78.5 Å²	78.5	11%	0.112	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154.7	176.5	74.5	0	0	0	0	112.9	K591 F593 D604 M608	K591-S602 CarbonylContact C-O 3.49Å; K591-S602 VanDerWaalsContact C-O 3.28Å; K591-S602 WeakPolarHBondContact CA-O 3.33Å; F593-S602 PolarHBondContact N-O 3.29Å; F593-S602 PolarHBondContact O-N 2.66Å; S602-D604 PolarHBondContact OG-O 2.87Å; S602-M608 PolarHBondContact OG-N 2.8Å
603	R	78.1	Confident	78.4	Confident	112 Å²	112	80.7 Å²	80.7	42%	0.423	38%	0.381	S	S	.	.	S	Bend	trans	-77.8	-25.3	177.4	-46.5	-169.4	-155.1	92.4	-0.2	113.2	R585 E590 K591	R585-R603 HydrophobicContact CB-CB 4.22Å; R585-R603 WeakPolarHBondContact CD-O 3.3Å; R585-R603 PolarHBondContact NH1-O 3.48Å; R585-R603 WeakPolarHBondContact O-CD 3.48Å; E590-R603 WeakPolarHBondContact O-CG 3.34Å; K591-R603 HydrophobicContact CG-CG 4.04Å
604	D	79.1	Confident	78.1	Confident	50 Å²	50	78.9 Å²	78.9	27%	0.267	38%	0.376	S	S	.	.	S	Bend	trans	-134.5	150.2	-175.7	174.1	48.1	0	0	0	111.5	F593 S602 S606 A607 M608	F593-D604 VanDerWaalsContact CD2-C 3.41Å; S602-D604 PolarHBondContact OG-O 2.87Å; D604-S606 WeakPolarHBondContact OD2-CA 3.24Å; D604-S606 WeakPolarHBondContact OD2-CB 3.48Å; D604-S606 PolarHBondContact OD2-N 2.89Å; D604-S606 PolarHBondContact OD2-OG 3.34Å; D604-A607 PolarHBondContact O-N 3.28Å; D604-M608 PolarHBondContact O-N 2.8Å
605	Y	74.3	Confident	77.4	Confident	139 Å²	139	78.4 Å²	78.4	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-38.2	179.5	-176	-101.6	0	0	0	112.1	F593 A607 M608 I609	F593-Y605 HydrophobicContact CD1-CD2 4.13Å; F593-Y605 HydrophobicContact CE1-CD2 4.03Å; F593-Y605 VanDerWaalsContact CE2-N 3.32Å; Y605-A607 PolarHBondContact O-N 2.85Å; Y605-M608 WeakPolarHBondContact O-CA 3.33Å; Y605-M608 WeakPolarHBondContact O-CB 3.45Å; Y605-M608 PolarHBondContact O-N 3.25Å; Y605-I609 HydrophobicContact CD1-CG1 4Å; Y605-I609 HydrophobicContact CE1-CD1 4.03Å; Y605-I609 HydrophobicContact CE1-CG1 3.62Å; Y605-I609 HydrophobicContact CE2-CD1 4.4Å; Y605-I609 HydrophobicContact CE2-CG1 4.47Å; Y605-I609 WeakPolarHBondContact O-CG1 3.42Å; Y605-I609 PolarHBondContact O-N 2.68Å
606	S	75.7	Confident	76.8	Confident	67 Å²	67	83.6 Å²	83.6	47%	0.469	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-33.8	177	-28.2	0	0	0	0	111.6	D604 K610	D604-S606 WeakPolarHBondContact OD2-CA 3.24Å; D604-S606 WeakPolarHBondContact OD2-CB 3.48Å; D604-S606 PolarHBondContact OD2-N 2.89Å; D604-S606 PolarHBondContact OD2-OG 3.34Å; S606-K610 WeakPolarHBondContact O-CB 3.2Å; S606-K610 VanDerWaalsContact O-CG 3.3Å; S606-K610 WeakPolarHBondContact O-CG 3.3Å; S606-K610 PolarHBondContact O-N 3.15Å; S606-K610 VanDerWaalsContact O-N 3.11Å
607	A	77.9	Confident	76.1	Confident	46 Å²	46	75.7 Å²	75.7	38%	0.38	38%	0.375	S	S	.	.	H	α-helix	trans	-71.3	-35.7	172.3	0	0	0	0	0	112.3	D604 Y605 K610 H611	D604-A607 PolarHBondContact O-N 3.28Å; Y605-A607 PolarHBondContact O-N 2.85Å; A607-K610 PolarHBondContact O-N 3.34Å; A607-H611 WeakPolarHBondContact O-CB 3.35Å; A607-H611 PolarHBondContact O-N 3.48Å
608	M	77.9	Confident	75.4	Confident	11 Å²	11	72.8 Å²	72.8	5%	0.054	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-47.3	172.9	-175.8	52.5	61.5	0	0	111.4	F593 E594 C595 S602 D604 Y605 K610 H611 L612	F593-M608 HydrophobicContact CB-CB 4.22Å; F593-M608 HydrophobicContact CB-CE 3.93Å; F593-M608 HydrophobicContact CB-CG 4.42Å; F593-M608 WeakPolarHBondContact O-CE 3.49Å; E594-M608 VanDerWaalsContact C-CE 3.47Å; C595-M608 HydrophobicContact CB-CE 4.25Å; C595-M608 HydrophobicContact CB-SD 3.82Å; S602-M608 PolarHBondContact OG-N 2.8Å; D604-M608 PolarHBondContact O-N 2.8Å; Y605-M608 WeakPolarHBondContact O-CA 3.33Å; Y605-M608 WeakPolarHBondContact O-CB 3.45Å; Y605-M608 PolarHBondContact O-N 3.25Å; M608-K610 VanDerWaalsContact C-N 3.33Å; M608-K610 PolarHBondContact O-N 3.23Å; M608-H611 CarbonylContact O-C 3.49Å; M608-H611 WeakPolarHBondContact O-CB 3.5Å; M608-H611 PolarHBondContact O-N 2.84Å; M608-H611 VanDerWaalsContact O-N 3.09Å; M608-L612 HydrophobicContact CG-CD1 3.93Å; M608-L612 HydrophobicContact CG-CG 4.33Å; M608-L612 WeakPolarHBondContact O-CG 3.38Å; M608-L612 PolarHBondContact O-N 3.24Å; M608-L612 HydrophobicContact SD-CD1 4.29Å; M608-L612 HydrophobicContact SD-CG 4.12Å
609	I	76.6	Confident	74.9	Confident	57 Å²	57	70.8 Å²	70.8	29%	0.292	36%	0.355	S	S	.	.	H	α-helix	trans	-62.3	-38.8	178.1	-65.5	-64.2	0	0	0	111.8	Y605 H611 L612 R613	Y605-I609 HydrophobicContact CD1-CG1 4Å; Y605-I609 HydrophobicContact CE1-CD1 4.03Å; Y605-I609 HydrophobicContact CE1-CG1 3.62Å; Y605-I609 HydrophobicContact CE2-CD1 4.4Å; Y605-I609 HydrophobicContact CE2-CG1 4.47Å; Y605-I609 WeakPolarHBondContact O-CG1 3.42Å; Y605-I609 PolarHBondContact O-N 2.68Å; I609-H611 VanDerWaalsContact C-N 3.32Å; I609-H611 PolarHBondContact O-N 3.13Å; I609-L612 HydrophobicContact CD1-CD1 4.35Å; I609-L612 PolarHBondContact O-N 3.16Å; I609-R613 WeakPolarHBondContact O-CG 3.38Å; I609-R613 PolarHBondContact O-N 3.45Å
610	K	72.4	Confident	73.8	Confident	117 Å²	117	69.5 Å²	69.5	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-35	173.2	-77.6	175.2	-177.8	-179.4	0	112.9	S606 A607 M608 P631	S606-K610 WeakPolarHBondContact O-CB 3.2Å; S606-K610 VanDerWaalsContact O-CG 3.3Å; S606-K610 WeakPolarHBondContact O-CG 3.3Å; S606-K610 PolarHBondContact O-N 3.15Å; S606-K610 VanDerWaalsContact O-N 3.11Å; A607-K610 PolarHBondContact O-N 3.34Å; M608-K610 VanDerWaalsContact C-N 3.33Å; M608-K610 PolarHBondContact O-N 3.23Å; K610-P631 WeakPolarHBondContact O-CB 3.15Å
611	H	77.3	Confident	73.2	Confident	35 Å²	35	68 Å²	68	16%	0.162	35%	0.347	C	S	.	.	H	α-helix	trans	-73.9	-40.5	174	171.2	52.1	0	0	0	112.9	C595 C598 A607 M608 I609 R613 T614 H615	C595-H611 PolarHBondContact SG-NE2 2.84Å; C598-H611 PolarHBondContact SG-NE2 3.42Å; A607-H611 WeakPolarHBondContact O-CB 3.35Å; A607-H611 PolarHBondContact O-N 3.48Å; M608-H611 CarbonylContact O-C 3.49Å; M608-H611 WeakPolarHBondContact O-CB 3.5Å; M608-H611 PolarHBondContact O-N 2.84Å; M608-H611 VanDerWaalsContact O-N 3.09Å; I609-H611 VanDerWaalsContact C-N 3.32Å; I609-H611 PolarHBondContact O-N 3.13Å; H611-R613 PolarHBondContact O-N 3.09Å; H611-R613 VanDerWaalsContact O-N 3.1Å; H611-T614 PolarHBondContact O-N 3.43Å; H611-T614 PolarHBondContact O-OG1 2.88Å; H611-H615 AromaticContact CE1-CE1 3.91Å; H611-H615 AromaticContact CE1-NE2 3.13Å; H611-H615 PolarHBondContact CE1-NE2 2.89Å; H611-H615 AromaticContact NE2-CD2 4Å; H611-H615 AromaticContact NE2-NE2 3.13Å; H611-H615 PolarHBondContact NE2-NE2 3.19Å; H611-H615 VanDerWaalsContact NE2-NE2 3.13Å
612	L	70	Confident	72.7	Confident	63 Å²	63	66.7 Å²	66.7	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-25.5	178.6	-73.3	167.8	0	0	0	113.1	M608 I609 T614 H615	M608-L612 HydrophobicContact CG-CD1 3.93Å; M608-L612 HydrophobicContact CG-CG 4.33Å; M608-L612 WeakPolarHBondContact O-CG 3.38Å; M608-L612 PolarHBondContact O-N 3.24Å; M608-L612 HydrophobicContact SD-CD1 4.29Å; M608-L612 HydrophobicContact SD-CG 4.12Å; I609-L612 HydrophobicContact CD1-CD1 4.35Å; I609-L612 PolarHBondContact O-N 3.16Å; L612-T614 PolarHBondContact O-N 3.37Å; L612-H615 PolarHBondContact O-N 2.81Å
613	R	72.1	Confident	72.2	Confident	114 Å²	114	66 Å²	66	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-16.3	172.5	-69.8	176.5	-164.1	-165.7	0.6	115.1	I609 H611 N616 A618 S619	I609-R613 WeakPolarHBondContact O-CG 3.38Å; I609-R613 PolarHBondContact O-N 3.45Å; H611-R613 PolarHBondContact O-N 3.09Å; H611-R613 VanDerWaalsContact O-N 3.1Å; R613-N616 VanDerWaalsContact CA-OD1 3.3Å; R613-N616 WeakPolarHBondContact CA-OD1 3.44Å; R613-N616 PolarHBondContact O-OD1 3.24Å; R613-A618 CarbonylContact O-C 3.55Å; R613-A618 PolarHBondContact O-N 3.06Å; R613-S619 WeakPolarHBondContact O-CB 3.38Å; R613-S619 PolarHBondContact O-N 3.2Å; R613-S619 VanDerWaalsContact O-N 3.11Å
614	T	75.9	Confident	71.8	Confident	28 Å²	28	65.5 Å²	65.5	17%	0.172	35%	0.351	C	S	.	.	H	α-helix	trans	-79.7	-27.9	177	66.8	0	0	0	0	112.2	H611 L612 Y629 P631	H611-T614 PolarHBondContact O-N 3.43Å; H611-T614 PolarHBondContact O-OG1 2.88Å; L612-T614 PolarHBondContact O-N 3.37Å; T614-Y629 VanDerWaalsContact CB-O 3.25Å; T614-Y629 WeakPolarHBondContact CB-O 3.47Å; T614-Y629 WeakPolarHBondContact CG2-O 3.45Å; T614-P631 HydrophobicContact CG2-CB 3.82Å; T614-P631 HydrophobicContact CG2-CG 4.42Å
615	H	70.9	Confident	71.5	Confident	74 Å²	74	65.8 Å²	65.8	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-80.7	-23.1	-177.6	-62.6	-69.5	0	0	0	113.8	C595 L597 C598 H611 L612	C595-H615 PolarHBondContact SG-NE2 2.75Å; L597-H615 HydrophobicContact CD1-CB 3.57Å; C598-H615 PolarHBondContact SG-CE1 2.76Å; C598-H615 PolarHBondContact SG-NE2 3.09Å; C598-H615 VanDerWaalsContact SG-NE2 3.39Å; H611-H615 AromaticContact CE1-CE1 3.91Å; H611-H615 AromaticContact CE1-NE2 3.13Å; H611-H615 PolarHBondContact CE1-NE2 2.89Å; H611-H615 AromaticContact NE2-CD2 4Å; H611-H615 AromaticContact NE2-NE2 3.13Å; H611-H615 PolarHBondContact NE2-NE2 3.19Å; H611-H615 VanDerWaalsContact NE2-NE2 3.13Å; L612-H615 PolarHBondContact O-N 2.81Å
616	N	68.6	Low	71.6	Confident	109 Å²	109	61.9 Å²	61.9	58%	0.583	34%	0.344	S	S	*	.	S	Bend	trans	-112.5	13	-177.3	73.7	-16.8	0	0	0	113.8	R613 A618	R613-N616 VanDerWaalsContact CA-OD1 3.3Å; R613-N616 WeakPolarHBondContact CA-OD1 3.44Å; R613-N616 PolarHBondContact O-OD1 3.24Å; N616-A618 PolarHBondContact O-N 2.81Å; N616-A618 VanDerWaalsContact OD1-CB 3.28Å; N616-A618 WeakPolarHBondContact OD1-CB 3.31Å; N616-A618 PolarHBondContact OD1-N 3.37Å; N616-A618 VanDerWaalsContact OD1-N 3.12Å
617	G	65.8	Low	71.5	Confident	29 Å²	29	64.1 Å²	64.1	30%	0.299	35%	0.35	S	S	.	.	S	Bend	trans	67.8	-4	-177.1	0	0	0	0	0	115.5	S619 Y629	G617-S619 PolarHBondContact O-N 3.44Å; G617-Y629 WeakPolarHBondContact O-CE1 3.22Å
618	A	61.5	Low	71.4	Confident	58 Å²	58	67.4 Å²	67.4	48%	0.479	36%	0.358	S	S	.	.			trans	-81.1	24.9	-177.1	0	0	0	0	0	113.5	R613 N616	R613-A618 CarbonylContact O-C 3.55Å; R613-A618 PolarHBondContact O-N 3.06Å; N616-A618 PolarHBondContact O-N 2.81Å; N616-A618 VanDerWaalsContact OD1-CB 3.28Å; N616-A618 WeakPolarHBondContact OD1-CB 3.31Å; N616-A618 PolarHBondContact OD1-N 3.37Å; N616-A618 VanDerWaalsContact OD1-N 3.12Å
619	S	67.7	Low	71.2	Confident	6 Å²	6	70.9 Å²	70.9	4%	0.042	37%	0.371	C	S	.	.			trans	-95.7	126.3	170.8	-168.3	0	0	0	0	109.4	R613 G617 Y621 C630	R613-S619 WeakPolarHBondContact O-CB 3.38Å; R613-S619 PolarHBondContact O-N 3.2Å; R613-S619 VanDerWaalsContact O-N 3.11Å; G617-S619 PolarHBondContact O-N 3.44Å; S619-Y621 PolarHBondContact O-N 3.46Å; S619-C630 PolarHBondContact OG-O 3.17Å
620	P	59.2	Low	71	Confident	100 Å²	100	68.7 Å²	68.7	65%	0.649	36%	0.36	S	S	*	.	S	Bend	trans	-72.1	7.5	177	33.1	-37.4	0	0	0	113.2
621	Y	69.7	Low	70.8	Confident	86 Å²	86	65.3 Å²	65.3	34%	0.337	35%	0.35	S	S	.	.			trans	-114.9	78.2	178.9	-48.1	-70.6	0	0	0	109.3	S619 C630 L633 M636	S619-Y621 PolarHBondContact O-N 3.46Å; Y621-C630 PolarHBondContact O-N 3.32Å; Y621-L633 HydrophobicContact CD1-CB 4.12Å; Y621-L633 HydrophobicContact CD1-CD1 4.12Å; Y621-L633 HydrophobicContact CE1-CB 3.65Å; Y621-L633 HydrophobicContact CE1-CD1 4.04Å; Y621-L633 HydrophobicContact CE1-CG 4.43Å; Y621-M636 VanDerWaalsContact C-CE 3.47Å; Y621-M636 WeakPolarHBondContact O-CE 3.43Å
622	Q	72.3	Confident	70.5	Confident	84 Å²	84	65.5 Å²	65.5	39%	0.393	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-93.7	139.6	170.8	-166.8	170.9	6	0	0	110.5	L627 Y629 M636	Q622-L627 WeakPolarHBondContact CG-O 3.4Å; Q622-L627 PolarHBondContact NE2-O 3.08Å; Q622-Y629 HydrophobicContact CB-CD1 3.81Å; Q622-Y629 HydrophobicContact CB-CE1 3.66Å; Q622-Y629 VanDerWaalsContact CD-CE1 3.43Å; Q622-Y629 VanDerWaalsContact CD-OH 3.25Å; Q622-Y629 HydrophobicContact CG-CD1 3.95Å; Q622-Y629 HydrophobicContact CG-CE1 3.65Å; Q622-Y629 PolarHBondContact NE2-OH 3.26Å; Q622-Y629 PolarHBondContact OE1-OH 3.14Å; Q622-M636 WeakPolarHBondContact O-CE 3.44Å
623	C	73	Confident	70.5	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	35%	0.354	C	S	.	.			trans	-75.8	127.2	176.7	171	0	0	0	0	109.7	I625 C626 L627 E628 M636 H639 M640	C623-I625 VanDerWaalsContact C-N 3.3Å; C623-I625 PolarHBondContact O-N 3.02Å; C623-I625 PolarHBondContact SG-N 2.92Å; C623-I625 VanDerWaalsContact SG-N 3.37Å; C623-C626 PolarHBondContact SG-N 3.38Å; C623-L627 WeakPolarHBondContact O-CA 3.44Å; C623-L627 PolarHBondContact O-N 3.35Å; C623-E628 HydrophobicContact CB-CB 4.41Å; C623-E628 WeakPolarHBondContact CB-O 3.41Å; C623-E628 PolarHBondContact N-O 3.24Å; C623-M636 HydrophobicContact CB-CE 3.95Å; C623-M636 HydrophobicContact CB-SD 4.07Å; C623-H639 PolarHBondContact SG-NE2 3.45Å; C623-M640 HydrophobicContact CB-CE 4.17Å; C623-M640 WeakPolarHBondContact SG-CE 3.43Å
624	T	69.4	Low	70.6	Confident	101 Å²	101	63.5 Å²	63.5	62%	0.62	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.3	177.8	46.7	0	0	0	0	113.6
625	I	73	Confident	70.5	Confident	56 Å²	56	63.4 Å²	63.4	29%	0.287	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-43.8	-173.7	-53.3	171.6	0	0	0	111.8	C623 M640 H643 D647 I648	C623-I625 VanDerWaalsContact C-N 3.3Å; C623-I625 PolarHBondContact O-N 3.02Å; C623-I625 PolarHBondContact SG-N 2.92Å; C623-I625 VanDerWaalsContact SG-N 3.37Å; I625-M640 HydrophobicContact CD1-CE 3.92Å; I625-M640 HydrophobicContact CD1-SD 4.33Å; I625-M640 HydrophobicContact CG1-CE 4.23Å; I625-H643 HydrophobicContact CD1-CB 3.74Å; I625-H643 WeakPolarHBondContact CG2-ND1 3.38Å; I625-D647 WeakPolarHBondContact CD1-O 3.47Å; I625-D647 HydrophobicContact CG2-CB 4.3Å; I625-I648 HydrophobicContact CD1-CG1 4Å
626	C	76.6	Confident	70.6	Confident	58 Å²	58	60.3 Å²	60.3	39%	0.392	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	14.9	-177.7	74.2	0	0	0	0	114.2	C623 E628 H639	C623-C626 PolarHBondContact SG-N 3.38Å; C626-E628 PolarHBondContact O-N 3.17Å; C626-H639 PolarHBondContact SG-CE1 2.84Å; C626-H639 PolarHBondContact SG-NE2 3.03Å; C626-H639 VanDerWaalsContact SG-NE2 3.36Å
627	L	73.8	Confident	70.8	Confident	113 Å²	113	58.6 Å²	58.6	59%	0.592	34%	0.336	S	S	*	.			trans	60.7	4.2	171.7	-55	179.8	0	0	0	116.8	Q622 C623	Q622-L627 WeakPolarHBondContact CG-O 3.4Å; Q622-L627 PolarHBondContact NE2-O 3.08Å; C623-L627 WeakPolarHBondContact O-CA 3.44Å; C623-L627 PolarHBondContact O-N 3.35Å
628	E	76.5	Confident	71.3	Confident	115 Å²	115	64.9 Å²	64.9	54%	0.537	36%	0.355	S	S	.	.			trans	-64.3	138.2	175.8	-74.7	-164.4	157	0	0	113.4	C623 C626 H639	C623-E628 HydrophobicContact CB-CB 4.41Å; C623-E628 WeakPolarHBondContact CB-O 3.41Å; C623-E628 PolarHBondContact N-O 3.24Å; C626-E628 PolarHBondContact O-N 3.17Å; E628-H639 IonicContact OE2-CE1 2.66Å; E628-H639 PolarHBondContact OE2-CE1 3.13Å; E628-H639 IonicContact OE2-ND1 2.75Å; E628-H639 PolarHBondContact OE2-ND1 2.95Å
629	Y	72.8	Confident	72.2	Confident	85 Å²	85	64.1 Å²	64.1	33%	0.333	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-89.1	115.3	174.3	-65.9	-80.8	0	0	0	111.6	T614 G617 Q622	T614-Y629 VanDerWaalsContact CB-O 3.25Å; T614-Y629 WeakPolarHBondContact CB-O 3.47Å; T614-Y629 WeakPolarHBondContact CG2-O 3.45Å; G617-Y629 WeakPolarHBondContact O-CE1 3.22Å; Q622-Y629 HydrophobicContact CB-CD1 3.81Å; Q622-Y629 HydrophobicContact CB-CE1 3.66Å; Q622-Y629 VanDerWaalsContact CD-CE1 3.43Å; Q622-Y629 VanDerWaalsContact CD-OH 3.25Å; Q622-Y629 HydrophobicContact CG-CD1 3.95Å; Q622-Y629 HydrophobicContact CG-CE1 3.65Å; Q622-Y629 PolarHBondContact NE2-OH 3.26Å; Q622-Y629 PolarHBondContact OE1-OH 3.14Å
630	C	72.8	Confident	72.3	Confident	10 Å²	10	64.1 Å²	64.1	7%	0.068	34%	0.341	C	S	.	.			trans	-88	150.6	174.4	-75.2	0	0	0	0	112.2	S619 Y621 S632 A635 M636	S619-C630 PolarHBondContact OG-O 3.17Å; Y621-C630 PolarHBondContact O-N 3.32Å; C630-S632 VanDerWaalsContact C-N 3.3Å; C630-S632 PolarHBondContact O-N 3.48Å; C630-A635 HydrophobicContact CB-CB 4.23Å; C630-M636 HydrophobicContact CB-CB 4.06Å; C630-M636 HydrophobicContact CB-CE 3.8Å
631	P	67.6	Low	73.2	Confident	46 Å²	46	67.8 Å²	67.8	30%	0.299	35%	0.347	S	S	.	.	S	Bend	trans	-79.4	-6.5	-177.6	32.1	-37.3	0	0	0	114.5	K610 T614 A635	K610-P631 WeakPolarHBondContact O-CB 3.15Å; T614-P631 HydrophobicContact CG2-CB 3.82Å; T614-P631 HydrophobicContact CG2-CG 4.42Å; P631-A635 HydrophobicContact CG-CB 3.97Å
632	S	72.1	Confident	73.4	Confident	39 Å²	39	67 Å²	67	27%	0.273	37%	0.365	S	S	.	.	S	Bend	trans	-167.5	158.4	178.7	59.8	0	0	0	0	111.6	C630 S634 A635 M636	C630-S632 VanDerWaalsContact C-N 3.3Å; C630-S632 PolarHBondContact O-N 3.48Å; S632-S634 VanDerWaalsContact C-N 3.26Å; S632-S634 PolarHBondContact O-N 3.35Å; S632-A635 WeakPolarHBondContact O-CA 3.29Å; S632-A635 WeakPolarHBondContact O-CB 3.47Å; S632-A635 PolarHBondContact O-N 3.3Å; S632-A635 WeakPolarHBondContact OG-CB 3.46Å; S632-A635 PolarHBondContact OG-N 2.83Å; S632-M636 PolarHBondContact O-N 3.05Å
633	L	70.4	Confident	73.6	Confident	57 Å²	57	64.9 Å²	64.9	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-51.9	-43.3	172.3	-170.6	69.9	0	0	0	112.3	Y621 A635 M636 Q637	Y621-L633 HydrophobicContact CD1-CB 4.12Å; Y621-L633 HydrophobicContact CD1-CD1 4.12Å; Y621-L633 HydrophobicContact CE1-CB 3.65Å; Y621-L633 HydrophobicContact CE1-CD1 4.04Å; Y621-L633 HydrophobicContact CE1-CG 4.43Å; L633-A635 VanDerWaalsContact C-N 3.26Å; L633-A635 PolarHBondContact O-N 2.95Å; L633-M636 WeakPolarHBondContact O-CB 3.29Å; L633-M636 PolarHBondContact O-N 3.13Å; L633-M636 VanDerWaalsContact O-N 3.17Å; L633-Q637 HydrophobicContact CG-CG 4.42Å; L633-Q637 WeakPolarHBondContact O-CB 3.43Å; L633-Q637 VanDerWaalsContact O-CG 3.29Å; L633-Q637 WeakPolarHBondContact O-CG 3.38Å; L633-Q637 PolarHBondContact O-N 3.35Å
634	S	72.3	Confident	73.6	Confident	78 Å²	78	70.9 Å²	70.9	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-71.6	-16.7	179.3	-47.6	0	0	0	0	114.3	S632 K638	S632-S634 VanDerWaalsContact C-N 3.26Å; S632-S634 PolarHBondContact O-N 3.35Å; S634-K638 WeakPolarHBondContact O-CG 3.45Å
635	A	73.8	Confident	73.2	Confident	27 Å²	27	70.5 Å²	70.5	22%	0.223	38%	0.38	C	S	.	.	H	α-helix	trans	-82.2	-43.2	167.5	0	0	0	0	0	110.3	C630 P631 S632 L633 Q637 K638 H639	C630-A635 HydrophobicContact CB-CB 4.23Å; P631-A635 HydrophobicContact CG-CB 3.97Å; S632-A635 WeakPolarHBondContact O-CA 3.29Å; S632-A635 WeakPolarHBondContact O-CB 3.47Å; S632-A635 PolarHBondContact O-N 3.3Å; S632-A635 WeakPolarHBondContact OG-CB 3.46Å; S632-A635 PolarHBondContact OG-N 2.83Å; L633-A635 VanDerWaalsContact C-N 3.26Å; L633-A635 PolarHBondContact O-N 2.95Å; A635-Q637 PolarHBondContact O-N 3.41Å; A635-K638 WeakPolarHBondContact O-CB 3.36Å; A635-K638 PolarHBondContact O-N 3.4Å; A635-H639 PolarHBondContact O-N 2.94Å
636	M	74.1	Confident	72.6	Confident	9 Å²	9	75.7 Å²	75.7	4%	0.044	40%	0.403	C	S	.	.	H	α-helix	trans	-56.8	-47.7	173.1	-173.8	56.7	76.2	0	0	111.5	Y621 Q622 C623 C630 S632 L633 K638 H639 M640	Y621-M636 VanDerWaalsContact C-CE 3.47Å; Y621-M636 WeakPolarHBondContact O-CE 3.43Å; Q622-M636 WeakPolarHBondContact O-CE 3.44Å; C623-M636 HydrophobicContact CB-CE 3.95Å; C623-M636 HydrophobicContact CB-SD 4.07Å; C630-M636 HydrophobicContact CB-CB 4.06Å; C630-M636 HydrophobicContact CB-CE 3.8Å; S632-M636 PolarHBondContact O-N 3.05Å; L633-M636 WeakPolarHBondContact O-CB 3.29Å; L633-M636 PolarHBondContact O-N 3.13Å; L633-M636 VanDerWaalsContact O-N 3.17Å; M636-K638 PolarHBondContact O-N 2.82Å; M636-H639 PolarHBondContact O-N 3.43Å; M636-H639 VanDerWaalsContact O-N 3.12Å; M636-M640 HydrophobicContact CG-CG 3.98Å; M636-M640 VanDerWaalsContact O-CB 3.28Å; M636-M640 WeakPolarHBondContact O-CB 3.5Å; M636-M640 VanDerWaalsContact O-CG 3.26Å; M636-M640 WeakPolarHBondContact O-CG 3.32Å; M636-M640 PolarHBondContact O-N 3.31Å; M636-M640 HydrophobicContact SD-CE 4.13Å; M636-M640 HydrophobicContact SD-CG 3.89Å
637	Q	71.9	Confident	71.6	Confident	73 Å²	73	76.6 Å²	76.6	34%	0.341	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-9.1	175.2	-71.8	171	-14.3	0	0	115.1	L633 A635 K641 W652	L633-Q637 HydrophobicContact CG-CG 4.42Å; L633-Q637 WeakPolarHBondContact O-CB 3.43Å; L633-Q637 VanDerWaalsContact O-CG 3.29Å; L633-Q637 WeakPolarHBondContact O-CG 3.38Å; L633-Q637 PolarHBondContact O-N 3.35Å; A635-Q637 PolarHBondContact O-N 3.41Å; Q637-K641 WeakPolarHBondContact O-CD 3.35Å; Q637-K641 VanDerWaalsContact O-CE 3.25Å; Q637-K641 WeakPolarHBondContact O-CE 3.23Å; Q637-K641 WeakPolarHBondContact O-CG 3.34Å; Q637-W652 HydrophobicContact CG-CH2 3.89Å
638	K	77.8	Confident	70.8	Confident	160 Å²	160	72.7 Å²	72.7	70%	0.696	38%	0.383	S	S	*	.	H	α-helix	trans	-97.9	-45	169	-72.9	-179.7	177.4	-171.1	0	111.2	S634 A635 M636 M640 K641	S634-K638 WeakPolarHBondContact O-CG 3.45Å; A635-K638 WeakPolarHBondContact O-CB 3.36Å; A635-K638 PolarHBondContact O-N 3.4Å; M636-K638 PolarHBondContact O-N 2.82Å; K638-M640 PolarHBondContact O-N 3.04Å; K638-K641 WeakPolarHBondContact O-CB 3.46Å; K638-K641 PolarHBondContact O-N 3.41Å
639	H	78.8	Confident	69.7	Low	43 Å²	43	69.5 Å²	69.5	20%	0.199	37%	0.373	C	S	.	.	H	α-helix	trans	-56.7	-46.4	173.8	171.2	96.3	0	0	0	111.5	C623 C626 E628 A635 M636 K641 G642 H643	C623-H639 PolarHBondContact SG-NE2 3.45Å; C626-H639 PolarHBondContact SG-CE1 2.84Å; C626-H639 PolarHBondContact SG-NE2 3.03Å; C626-H639 VanDerWaalsContact SG-NE2 3.36Å; E628-H639 IonicContact OE2-CE1 2.66Å; E628-H639 PolarHBondContact OE2-CE1 3.13Å; E628-H639 IonicContact OE2-ND1 2.75Å; E628-H639 PolarHBondContact OE2-ND1 2.95Å; A635-H639 PolarHBondContact O-N 2.94Å; M636-H639 PolarHBondContact O-N 3.43Å; M636-H639 VanDerWaalsContact O-N 3.12Å; H639-K641 PolarHBondContact O-N 3.28Å; H639-K641 VanDerWaalsContact O-N 3.07Å; H639-G642 PolarHBondContact O-N 3.22Å; H639-H643 AromaticContact CD2-CD2 3.95Å; H639-H643 AromaticContact CD2-NE2 3.52Å; H639-H643 AromaticContact CE1-NE2 3.62Å; H639-H643 AromaticContact NE2-CD2 3.83Å; H639-H643 AromaticContact NE2-CE1 3.97Å; H639-H643 AromaticContact NE2-NE2 2.95Å; H639-H643 PolarHBondContact NE2-NE2 3.45Å; H639-H643 PolarHBondContact O-CD2 3.39Å
640	M	71.1	Confident	68.6	Low	5 Å²	5	69.7 Å²	69.7	3%	0.025	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-18.2	173	-73	-77.5	105.8	0	0	114.9	C623 I625 M636 K638 I648 W652	C623-M640 HydrophobicContact CB-CE 4.17Å; C623-M640 WeakPolarHBondContact SG-CE 3.43Å; I625-M640 HydrophobicContact CD1-CE 3.92Å; I625-M640 HydrophobicContact CD1-SD 4.33Å; I625-M640 HydrophobicContact CG1-CE 4.23Å; M636-M640 HydrophobicContact CG-CG 3.98Å; M636-M640 VanDerWaalsContact O-CB 3.28Å; M636-M640 WeakPolarHBondContact O-CB 3.5Å; M636-M640 VanDerWaalsContact O-CG 3.26Å; M636-M640 WeakPolarHBondContact O-CG 3.32Å; M636-M640 PolarHBondContact O-N 3.31Å; M636-M640 HydrophobicContact SD-CE 4.13Å; M636-M640 HydrophobicContact SD-CG 3.89Å; K638-M640 PolarHBondContact O-N 3.04Å; M640-I648 WeakPolarHBondContact O-CD1 3.4Å; M640-W652 HydrophobicContact CB-CE3 4.01Å; M640-W652 HydrophobicContact CB-CH2 3.8Å; M640-W652 HydrophobicContact CB-CZ3 3.42Å; M640-W652 VanDerWaalsContact CB-CZ3 3.42Å; M640-W652 HydrophobicContact CG-CD2 4.42Å; M640-W652 HydrophobicContact CG-CE3 4.04Å; M640-W652 HydrophobicContact CG-CH2 3.56Å; M640-W652 HydrophobicContact CG-CZ2 3.97Å; M640-W652 HydrophobicContact CG-CZ3 3.6Å; M640-W652 HydrophobicContact SD-CD2 4.18Å; M640-W652 HydrophobicContact SD-CE3 4.16Å; M640-W652 HydrophobicContact SD-CZ3 4.33Å
641	K	77.3	Confident	67.5	Low	177 Å²	177	74.3 Å²	74.3	77%	0.77	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5	173.8	-64.3	176	-177.8	-179.9	0	113.4	Q637 K638 H639	Q637-K641 WeakPolarHBondContact O-CD 3.35Å; Q637-K641 VanDerWaalsContact O-CE 3.25Å; Q637-K641 WeakPolarHBondContact O-CE 3.23Å; Q637-K641 WeakPolarHBondContact O-CG 3.34Å; K638-K641 WeakPolarHBondContact O-CB 3.46Å; K638-K641 PolarHBondContact O-N 3.41Å; H639-K641 PolarHBondContact O-N 3.28Å; H639-K641 VanDerWaalsContact O-N 3.07Å
642	G	74.6	Confident	66.4	Low	70 Å²	70	75.1 Å²	75.1	72%	0.722	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-18.5	172.1	0	0	0	0	0	113.7	H639	H639-G642 PolarHBondContact O-N 3.22Å
643	H	76.6	Confident	65	Low	39 Å²	39	81.1 Å²	81.1	18%	0.181	42%	0.422	C	S	.	.	S	Bend	trans	-75.2	153.9	172.2	-67.8	-79.8	0	0	0	111	I625 H639 I648	I625-H643 HydrophobicContact CD1-CB 3.74Å; I625-H643 WeakPolarHBondContact CG2-ND1 3.38Å; H639-H643 AromaticContact CD2-CD2 3.95Å; H639-H643 AromaticContact CD2-NE2 3.52Å; H639-H643 AromaticContact CE1-NE2 3.62Å; H639-H643 AromaticContact NE2-CD2 3.83Å; H639-H643 AromaticContact NE2-CE1 3.97Å; H639-H643 AromaticContact NE2-NE2 2.95Å; H639-H643 PolarHBondContact NE2-NE2 3.45Å; H639-H643 PolarHBondContact O-CD2 3.39Å; H643-I648 HydrophobicContact CB-CD1 4.37Å; H643-I648 HydrophobicContact CB-CG1 4.04Å
644	K	72.6	Confident	63.6	Low	127 Å²	127	82.7 Å²	82.7	55%	0.552	43%	0.43	S	S	*	.			trans	-70.9	151.7	-178.3	-53.8	177.4	-170.7	162.5	0	110.7	E646 D647 I648	K644-E646 PolarHBondContact O-N 2.88Å; K644-D647 VanDerWaalsContact CB-OD2 3.26Å; K644-D647 WeakPolarHBondContact CB-OD2 3.37Å; K644-D647 WeakPolarHBondContact CD-OD2 3.15Å; K644-D647 WeakPolarHBondContact CG-OD2 3.3Å; K644-D647 PolarHBondContact O-N 2.94Å; K644-D647 VanDerWaalsContact O-N 3.08Å; K644-I648 WeakPolarHBondContact O-CG1 3.36Å; K644-I648 PolarHBondContact O-N 3.26Å
645	P	61.2	Low	62	Low	93 Å²	93	82.3 Å²	82.3	60%	0.604	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.9	176.1	-23.2	34.9	0	0	0	115.4	R653	P645-R653 PolarHBondContact O-NH2 2.77Å
646	E	59.6	Low	60	Low	165 Å²	165	90.2 Å²	90.2	77%	0.771	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-36.8	175.7	-69.8	147.1	-141.2	0	0	112.1	K644	K644-E646 PolarHBondContact O-N 2.88Å
647	D	56.7	Low	58	Low	78 Å²	78	93.7 Å²	93.7	42%	0.417	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.7	-177.6	-52.6	-44.6	0	0	0	112.7	I625 K644 P649	I625-D647 WeakPolarHBondContact CD1-O 3.47Å; I625-D647 HydrophobicContact CG2-CB 4.3Å; K644-D647 VanDerWaalsContact CB-OD2 3.26Å; K644-D647 WeakPolarHBondContact CB-OD2 3.37Å; K644-D647 WeakPolarHBondContact CD-OD2 3.15Å; K644-D647 WeakPolarHBondContact CG-OD2 3.3Å; K644-D647 PolarHBondContact O-N 2.94Å; K644-D647 VanDerWaalsContact O-N 3.08Å; D647-P649 WeakPolarHBondContact O-CD 3.48Å
648	I	56	Low	56	Low	30 Å²	30	96.5 Å²	96.5	15%	0.154	48%	0.479	C	S	.	.	S	Bend	trans	-85.1	117.5	-179.2	-65.3	164.8	0	0	0	110	I625 M640 H643 K644 W652	I625-I648 HydrophobicContact CD1-CG1 4Å; M640-I648 WeakPolarHBondContact O-CD1 3.4Å; H643-I648 HydrophobicContact CB-CD1 4.37Å; H643-I648 HydrophobicContact CB-CG1 4.04Å; K644-I648 WeakPolarHBondContact O-CG1 3.36Å; K644-I648 PolarHBondContact O-N 3.26Å; I648-W652 HydrophobicContact CG2-CB 3.99Å
649	P	53.5	Low	53.8	Low	49 Å²	49	92.8 Å²	92.8	32%	0.318	47%	0.466	S	S	.	.			trans	-54.2	144	-179.9	-27.7	35.8	0	0	0	113.1	D647 D651 W652	D647-P649 WeakPolarHBondContact O-CD 3.48Å; P649-D651 PolarHBondContact O-N 3.26Å; P649-W652 PolarHBondContact O-N 2.76Å
650	P	50.2	Low	51.4	Low	88 Å²	88	95.2 Å²	95.2	57%	0.571	47%	0.474	S	S	*	.	H	α-helix	trans	-59.1	-32	-177.9	24.2	-33.4	0	0	0	112.4	W652 R653 I654	P650-W652 VanDerWaalsContact C-N 3.3Å; P650-W652 PolarHBondContact O-N 2.73Å; P650-R653 WeakPolarHBondContact O-CA 3.48Å; P650-R653 WeakPolarHBondContact O-CB 3.4Å; P650-R653 PolarHBondContact O-N 3.39Å; P650-I654 PolarHBondContact O-N 2.9Å
651	D	50.1	Low	49.4	Very low	107 Å²	107	100.5 Å²	100.5	57%	0.572	50%	0.502	S	S	*	.	H	α-helix	trans	-65.5	-31.9	178.6	-47.8	-67	0	0	0	112.5	P649 R653 I654 E655	P649-D651 PolarHBondContact O-N 3.26Å; D651-R653 PolarHBondContact O-N 2.91Å; D651-I654 CarbonylContact O-C 3.56Å; D651-I654 WeakPolarHBondContact O-CA 3.46Å; D651-I654 WeakPolarHBondContact O-CB 3.5Å; D651-I654 PolarHBondContact O-N 3.3Å; D651-E655 PolarHBondContact O-N 3.23Å
652	W	44.3	Very low	47.1	Very low	63 Å²	63	96.6 Å²	96.6	24%	0.239	50%	0.496	C	S	.	.	H	α-helix	trans	-69.4	-18	173	-127.8	69.4	0	0	0	112.9	Q637 M640 I648 P649 P650 I654 E655	Q637-W652 HydrophobicContact CG-CH2 3.89Å; M640-W652 HydrophobicContact CB-CE3 4.01Å; M640-W652 HydrophobicContact CB-CH2 3.8Å; M640-W652 HydrophobicContact CB-CZ3 3.42Å; M640-W652 VanDerWaalsContact CB-CZ3 3.42Å; M640-W652 HydrophobicContact CG-CD2 4.42Å; M640-W652 HydrophobicContact CG-CE3 4.04Å; M640-W652 HydrophobicContact CG-CH2 3.56Å; M640-W652 HydrophobicContact CG-CZ2 3.97Å; M640-W652 HydrophobicContact CG-CZ3 3.6Å; M640-W652 HydrophobicContact SD-CD2 4.18Å; M640-W652 HydrophobicContact SD-CE3 4.16Å; M640-W652 HydrophobicContact SD-CZ3 4.33Å; I648-W652 HydrophobicContact CG2-CB 3.99Å; P649-W652 PolarHBondContact O-N 2.76Å; P650-W652 VanDerWaalsContact C-N 3.3Å; P650-W652 PolarHBondContact O-N 2.73Å; W652-I654 VanDerWaalsContact C-N 3.34Å; W652-E655 PolarHBondContact NE1-OE1 2.97Å; W652-E655 PolarHBondContact NE1-OE2 2.87Å
653	R	43.2	Very low	44.8	Very low	165 Å²	165	101.9 Å²	101.9	62%	0.623	50%	0.496	S	S	*	.	H	α-helix	trans	-75.6	-25.6	168.5	-138.3	172.1	-69	-158.1	-2.8	111.4	P645 P650 D651	P645-R653 PolarHBondContact O-NH2 2.77Å; P650-R653 WeakPolarHBondContact O-CA 3.48Å; P650-R653 WeakPolarHBondContact O-CB 3.4Å; P650-R653 PolarHBondContact O-N 3.39Å; D651-R653 PolarHBondContact O-N 2.91Å
654	I	39.4	Very low	42.4	Very low	90 Å²	90	107.1 Å²	107.1	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-91.1	-26.2	179.5	-56.1	171.5	0	0	0	112.1	P650 D651 W652 K656 T657 Y658	P650-I654 PolarHBondContact O-N 2.9Å; D651-I654 CarbonylContact O-C 3.56Å; D651-I654 WeakPolarHBondContact O-CA 3.46Å; D651-I654 WeakPolarHBondContact O-CB 3.5Å; D651-I654 PolarHBondContact O-N 3.3Å; W652-I654 VanDerWaalsContact C-N 3.34Å; I654-K656 PolarHBondContact O-N 2.91Å; I654-T657 PolarHBondContact O-N 2.99Å; I654-T657 PolarHBondContact O-OG1 3.25Å; I654-Y658 PolarHBondContact O-N 3.38Å
655	E	38.9	Very low	40.9	Very low	70 Å²	70	106.1 Å²	106.1	33%	0.327	53%	0.529	S	S	.	.	H	α-helix	trans	-54.1	-28.5	178.8	-93.3	-163	-160.7	0	0	114.2	D651 W652 T657 Y658 L659	D651-E655 PolarHBondContact O-N 3.23Å; W652-E655 PolarHBondContact NE1-OE1 2.97Å; W652-E655 PolarHBondContact NE1-OE2 2.87Å; E655-T657 PolarHBondContact O-N 3.48Å; E655-T657 VanDerWaalsContact O-N 3.13Å; E655-Y658 PolarHBondContact O-N 3.2Å; E655-Y658 VanDerWaalsContact O-N 3.17Å; E655-L659 WeakPolarHBondContact O-CB 3.38Å; E655-L659 PolarHBondContact O-N 3.25Å
656	K	32.3	Very low	39.9	Very low	193 Å²	193	106.8 Å²	106.8	84%	0.839	53%	0.525	S	S	*	.	H	α-helix	trans	-54.9	-28.6	172.4	-86.5	-176.1	177.7	172.2	0	113.7	I654	I654-K656 PolarHBondContact O-N 2.91Å
657	T	32	Very low	38.8	Very low	82 Å²	82	103.6 Å²	103.6	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-90.8	-43.9	174.4	6.8	0	0	0	0	111	I654 E655 Y660 L661	I654-T657 PolarHBondContact O-N 2.99Å; I654-T657 PolarHBondContact O-OG1 3.25Å; E655-T657 PolarHBondContact O-N 3.48Å; E655-T657 VanDerWaalsContact O-N 3.13Å; T657-Y660 WeakPolarHBondContact O-CB 3.29Å; T657-Y660 PolarHBondContact O-N 3.09Å; T657-Y660 VanDerWaalsContact O-N 3.09Å; T657-L661 WeakPolarHBondContact O-CG 3.32Å; T657-L661 PolarHBondContact O-N 3.21Å
658	Y	30.2	Very low	37.7	Very low	133 Å²	133	105.1 Å²	105.1	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-66.8	-44.1	-175.3	-125.6	-95.1	0	0	0	113.4	I654 E655 Y660 L661 C662	I654-Y658 PolarHBondContact O-N 3.38Å; E655-Y658 PolarHBondContact O-N 3.2Å; E655-Y658 VanDerWaalsContact O-N 3.17Å; Y658-Y660 PolarHBondContact O-N 3.27Å; Y658-Y660 VanDerWaalsContact O-N 3.12Å; Y658-L661 PolarHBondContact O-N 3.19Å; Y658-L661 VanDerWaalsContact O-N 3.12Å; Y658-C662 PolarHBondContact O-N 3.06Å
659	L	31.6	Very low	36.6	Very low	81 Å²	81	109.8 Å²	109.8	42%	0.424	54%	0.539	S	S	.	.	H	α-helix	trans	-67.8	-7.4	173.4	-84.6	165.7	0	0	0	113.9	E655	E655-L659 WeakPolarHBondContact O-CB 3.38Å; E655-L659 PolarHBondContact O-N 3.25Å
660	Y	29.1	Very low	35.4	Very low	94 Å²	94	113.8 Å²	113.8	37%	0.369	55%	0.554	S	S	.	*	H	α-helix	trans	-95.5	-35.2	170.3	-153.9	-116.8	0	0	0	111.7	R279 T657 Y658 Y663 V664	R279-Y660 VanDerWaalsContact NH2-CE2 3.34Å; R279-Y660 PolarHBondContact NH2-OH 3.2Å; T657-Y660 WeakPolarHBondContact O-CB 3.29Å; T657-Y660 PolarHBondContact O-N 3.09Å; T657-Y660 VanDerWaalsContact O-N 3.09Å; Y658-Y660 PolarHBondContact O-N 3.27Å; Y658-Y660 VanDerWaalsContact O-N 3.12Å; Y660-Y663 PolarHBondContact O-N 3.38Å; Y660-V664 HydrophobicContact CE1-CG2 4.48Å
661	L	28.2	Very low	34.4	Very low	117 Å²	117	115.6 Å²	115.6	61%	0.613	55%	0.553	S	S	*	*	H	α-helix	trans	-75.3	-21.6	177.4	-71.3	166	0	0	0	113.9	T657 Y658 Y663	T657-L661 WeakPolarHBondContact O-CG 3.32Å; T657-L661 PolarHBondContact O-N 3.21Å; Y658-L661 PolarHBondContact O-N 3.19Å; Y658-L661 VanDerWaalsContact O-N 3.12Å; L661-Y663 VanDerWaalsContact C-N 3.27Å
662	C	28.4	Very low	33.2	Very low	94 Å²	94	116.3 Å²	116.3	64%	0.635	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	14.3	169.7	-59.8	0	0	0	0	113.4	Y658	Y658-C662 PolarHBondContact O-N 3.06Å
663	Y	26.4	Very low	32.3	Very low	182 Å²	182	120.8 Å²	120.8	71%	0.714	58%	0.577	S	S	*	*			trans	-141.4	19.7	-176.6	-129.8	-79.3	0	0	0	113.4	Y660 L661	Y660-Y663 PolarHBondContact O-N 3.38Å; L661-Y663 VanDerWaalsContact C-N 3.27Å
664	V	27.4	Very low	31.3	Very low	148 Å²	148	116.7 Å²	116.7	90%	0.897	57%	0.573	S	S	*	*			trans	-134	0	173.4	175	0	0	0	0	107.4	Y660	Y660-V664 HydrophobicContact CE1-CG2 4.48Å

Retrieved 664 of 664 residues in 1544 ms (Link to these results)

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