A0A077Z8T3_TRITR Loading...

EGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8T3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 597 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	41.1	Very low	53.9	Low	78 Å²	78	41.2 Å²	41.2	38%	0.384	20%	0.197	S	C	.	.				0	136.2	0	-147.2	176.4	-167.6	0	0	108	P62 H63 F134 Y136	M1-P62 HydrophobicContact CE-CB 4.02Å; M1-H63 VanDerWaalsContact CG-CD2 3.48Å; M1-H63 WeakPolarHBondContact CG-CD2 3.15Å; M1-H63 WeakPolarHBondContact CG-NE2 3.01Å; M1-F134 HydrophobicContact CE-CD2 3.65Å; M1-F134 HydrophobicContact CE-CE2 3.68Å; M1-Y136 PolarHBondContact SD-OH 3.11Å; M1-Y136 VanDerWaalsContact SD-OH 3.36Å
2	K	39.1	Very low	54.2	Low	110 Å²	110	37.9 Å²	37.9	48%	0.478	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.7	177	-84.4	173.5	152.2	-159.6	0	108.4	Q113 M114	K2-Q113 HydrophobicContact CB-CB 3.92Å; K2-Q113 HydrophobicContact CB-CG 4.13Å; K2-Q113 HydrophobicContact CD-CB 3.98Å; K2-Q113 HydrophobicContact CD-CG 4.32Å; K2-Q113 VanDerWaalsContact CD-OE1 3.26Å; K2-Q113 HydrophobicContact CG-CB 3.96Å; K2-M114 CarbonylContact C-O 3.41Å; K2-M114 VanDerWaalsContact CA-O 3.31Å; K2-M114 WeakPolarHBondContact CA-O 3.43Å
3	L	47.1	Very low	54.1	Low	2 Å²	2	49.1 Å²	49.1	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.6	-179.1	-71.7	161.2	0	0	0	109.5	L60 P62 Q113 M114 V119 I130	L3-L60 HydrophobicContact CB-CD2 4.3Å; L3-P62 HydrophobicContact CD2-CB 4.07Å; L3-Q113 VanDerWaalsContact O-CA 3.31Å; L3-Q113 WeakPolarHBondContact O-CA 3.48Å; L3-M114 HydrophobicContact CB-CB 4.49Å; L3-M114 PolarHBondContact N-O 2.93Å; L3-M114 PolarHBondContact O-N 3.14Å; L3-V119 HydrophobicContact CD1-CG2 3.74Å; L3-I130 HydrophobicContact CD1-CD1 4.43Å
4	N	50.8	Low	53.9	Low	14 Å²	14	51.5 Å²	51.5	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.4	171.7	-65.5	-43.6	0	0	0	109	L60 F61 A64 T111 W112	N4-L60 WeakPolarHBondContact O-CA 3.46Å; N4-F61 HydrophobicContact CB-CB 4.2Å; N4-F61 PolarHBondContact N-O 2.83Å; N4-F61 PolarHBondContact O-N 3.32Å; N4-A64 PolarHBondContact ND2-O 3.15Å; N4-T111 HydrophobicContact CB-CG2 4.02Å; N4-T111 VanDerWaalsContact OD1-CB 3.28Å; N4-T111 WeakPolarHBondContact OD1-CB 3.18Å; N4-T111 PolarHBondContact OD1-OG1 3.36Å; N4-W112 VanDerWaalsContact CA-O 3.27Å; N4-W112 WeakPolarHBondContact CA-O 3.25Å
5	V	54.3	Low	53.6	Low	11 Å²	11	50.1 Å²	50.1	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.8	173.8	-163	0	0	0	0	110.1	I58 V59 L60 F103 W112 M114	V5-I58 HydrophobicContact CG1-CG2 3.77Å; V5-V59 CarbonylContact C-O 3.5Å; V5-V59 WeakPolarHBondContact CA-O 2.99Å; V5-L60 HydrophobicContact CB-CD2 4.27Å; V5-L60 HydrophobicContact CG1-CD2 4.18Å; V5-L60 HydrophobicContact CG2-CD2 3.66Å; V5-F103 HydrophobicContact CB-CZ 4.05Å; V5-F103 HydrophobicContact CG1-CZ 4.03Å; V5-F103 HydrophobicContact CG2-CZ 4.48Å; V5-W112 HydrophobicContact CG2-CE3 3.82Å; V5-W112 PolarHBondContact N-O 3.16Å; V5-M114 HydrophobicContact CG2-CG 3.72Å; V5-M114 HydrophobicContact CG2-SD 3.6Å; V5-M114 VanDerWaalsContact CG2-SD 3.6Å
6	V	57.9	Low	53.1	Low	36 Å²	36	51.4 Å²	51.4	22%	0.218	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129	171.8	-178.1	0	0	0	0	109	V59 F61	V6-V59 PolarHBondContact N-O 3.44Å; V6-V59 PolarHBondContact O-N 2.78Å; V6-F61 HydrophobicContact CB-CE2 3.75Å; V6-F61 HydrophobicContact CG2-CD2 3.85Å; V6-F61 HydrophobicContact CG2-CE2 3.34Å; V6-F61 HydrophobicContact CG2-CZ 4.29Å
7	L	57.3	Low	52.3	Low	25 Å²	25	50.8 Å²	50.8	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.4	173.3	-56.5	179.1	0	0	0	109	I56 C57 I58 F94 Q98 I101 F103	L7-I56 HydrophobicContact CD2-CG2 4.48Å; L7-C57 CarbonylContact C-O 3.44Å; L7-C57 WeakPolarHBondContact CA-O 3.36Å; L7-I58 HydrophobicContact CD2-CB 4.26Å; L7-I58 HydrophobicContact CD2-CD1 4.08Å; L7-I58 HydrophobicContact CD2-CG1 3.64Å; L7-I58 HydrophobicContact CD2-CG2 4.09Å; L7-F94 HydrophobicContact CB-CE2 3.59Å; L7-F94 HydrophobicContact CB-CZ 3.89Å; L7-F94 HydrophobicContact CD1-CE2 4.14Å; L7-F94 HydrophobicContact CD1-CZ 4.11Å; L7-Q98 HydrophobicContact CD1-CG 3.98Å; L7-I101 HydrophobicContact CD1-CD1 4.25Å; L7-I101 HydrophobicContact CD2-CD1 3.64Å; L7-F103 HydrophobicContact CD1-CD2 4.15Å; L7-F103 HydrophobicContact CD1-CE2 3.84Å; L7-F103 HydrophobicContact CD2-CE2 4.34Å; L7-F103 HydrophobicContact CG-CE2 4.19Å
8	W	61.5	Low	51.7	Low	91 Å²	91	56.1 Å²	56.1	35%	0.345	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.1	171.1	-85.8	2.9	0	0	0	110	P31 I56 C57	W8-P31 HydrophobicContact CD2-CG 4.07Å; W8-P31 HydrophobicContact CE3-CB 4.09Å; W8-P31 HydrophobicContact CE3-CG 3.29Å; W8-P31 HydrophobicContact CH2-CB 3.77Å; W8-P31 HydrophobicContact CH2-CG 3.73Å; W8-P31 HydrophobicContact CZ2-CG 4.47Å; W8-P31 HydrophobicContact CZ3-CB 3.36Å; W8-P31 HydrophobicContact CZ3-CG 3.1Å; W8-I56 CarbonylContact O-C 3.45Å; W8-I56 WeakPolarHBondContact O-CA 3.41Å; W8-C57 HydrophobicContact CB-CB 4.02Å; W8-C57 PolarHBondContact N-O 2.77Å; W8-C57 PolarHBondContact O-N 3.36Å
9	N	63.3	Low	51	Low	8 Å²	8	56 Å²	56	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.3	171.1	-177.1	-13.8	0	0	0	108.5	N11 C12 T15 F94	N9-N11 PolarHBondContact O-N 2.95Å; N9-N11 WeakPolarHBondContact OD1-CB 3.19Å; N9-N11 PolarHBondContact OD1-N 3.37Å; N9-C12 HydrophobicContact CB-CB 4.38Å; N9-C12 PolarHBondContact O-N 2Å; N9-T15 PolarHBondContact O-OG1 3.48Å; N9-F94 HydrophobicContact CB-CD2 4.47Å
10	L	61.9	Low	50.1	Low	12 Å²	12	60.3 Å²	60.3	6%	0.063	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.8	179.9	-69	177.9	0	0	0	112.8	C12 Q16 N55 C57	L10-C12 VanDerWaalsContact C-N 3.34Å; L10-Q16 WeakPolarHBondContact O-CG 3.49Å; L10-Q16 PolarHBondContact O-NE2 2.81Å; L10-N55 HydrophobicContact CB-CB 4.29Å; L10-N55 HydrophobicContact CD1-CB 3.87Å; L10-N55 HydrophobicContact CG-CB 4.45Å; L10-N55 PolarHBondContact N-O 2.58Å; L10-N55 VanDerWaalsContact N-O 3.15Å; L10-C57 VanDerWaalsContact CD2-SG 3.56Å; L10-C57 WeakPolarHBondContact CG-SG 3.27Å
11	N	58.6	Low	49.3	Very low	66 Å²	66	61.5 Å²	61.5	35%	0.353	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.4	179	-62.2	1.7	0	0	0	112.6	N9	N9-N11 PolarHBondContact O-N 2.95Å; N9-N11 WeakPolarHBondContact OD1-CB 3.19Å; N9-N11 PolarHBondContact OD1-N 3.37Å
12	C	57.4	Low	49	Very low	2 Å²	2	65.6 Å²	65.6	1%	0.014	31%	0.309	C	S	.	.			trans	-84.1	128.6	174.9	-176.7	0	0	0	0	111.8	N9 L10 Y14 T15 Q16 C83	N9-C12 HydrophobicContact CB-CB 4.38Å; N9-C12 PolarHBondContact O-N 2Å; L10-C12 VanDerWaalsContact C-N 3.34Å; C12-Y14 PolarHBondContact O-N 3.43Å; C12-Y14 VanDerWaalsContact O-N 3.15Å; C12-T15 HydrophobicContact CB-CG2 4.38Å; C12-T15 WeakPolarHBondContact CB-OG1 3.03Å; C12-T15 PolarHBondContact O-N 3.47Å; C12-T15 PolarHBondContact O-OG1 3.26Å; C12-Q16 WeakPolarHBondContact O-CG 2.94Å; C12-Q16 PolarHBondContact O-N 3.47Å; C12-Q16 VanDerWaalsContact O-N 3.07Å; C12-C83 HydrophobicContact CB-CB 3.95Å; C12-C83 WeakPolarHBondContact CB-SG 3.24Å; C12-C83 WeakPolarHBondContact SG-CB 2.93Å; C12-C83 CovalentContact SG-SG 2.01Å; C12-C83 PolarHBondContact SG-SG 3.48Å
13	R	53.3	Low	48.5	Very low	183 Å²	183	61.9 Å²	61.9	69%	0.691	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.1	-177.4	-155.7	178	-165.3	-175.6	3.9	113.9	A17	R13-A17 WeakPolarHBondContact O-CB 3.3Å; R13-A17 PolarHBondContact O-N 3.37Å
14	Y	50.8	Low	47.6	Very low	83 Å²	83	65.4 Å²	65.4	33%	0.325	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-39	-179.8	-153.2	-98.9	0	0	0	112	C12 Q16 A17 W18 E79 F82	C12-Y14 PolarHBondContact O-N 3.43Å; C12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-Q16 PolarHBondContact O-N 3.24Å; Y14-A17 PolarHBondContact O-N 3.31Å; Y14-W18 AromaticContact CD1-CD1 3.68Å; Y14-W18 AromaticContact CD1-NE1 3.47Å; Y14-W18 AromaticContact CE1-CD1 3.66Å; Y14-W18 AromaticContact CE1-CE2 3.96Å; Y14-W18 HydrophobicContact CE1-CZ2 4.47Å; Y14-W18 AromaticContact CE1-NE1 2.93Å; Y14-W18 AromaticContact CZ-NE1 3.48Å; Y14-W18 PolarHBondContact O-N 3.41Å; Y14-E79 HydrophobicContact CD1-CG 3.52Å; Y14-E79 WeakPolarHBondContact CD1-OE1 3.33Å; Y14-E79 HydrophobicContact CE1-CG 3.62Å; Y14-E79 WeakPolarHBondContact CE1-OE1 3.11Å; Y14-F82 HydrophobicContact CD2-CD1 4.31Å; Y14-F82 HydrophobicContact CD2-CE1 4.38Å
15	T	49.4	Very low	46.6	Very low	30 Å²	30	66.6 Å²	66.6	18%	0.184	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-30.9	171.3	50.4	0	0	0	0	111.5	N9 C12 A17	N9-T15 PolarHBondContact O-OG1 3.48Å; C12-T15 HydrophobicContact CB-CG2 4.38Å; C12-T15 WeakPolarHBondContact CB-OG1 3.03Å; C12-T15 PolarHBondContact O-N 3.47Å; C12-T15 PolarHBondContact O-OG1 3.26Å; T15-A17 VanDerWaalsContact C-N 3.33Å
16	Q	45.8	Very low	46	Very low	72 Å²	72	69.8 Å²	69.8	34%	0.336	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.4	169.5	-69.1	174.8	-0.6	0	0	113.7	L10 C12 Y14	L10-Q16 WeakPolarHBondContact O-CG 3.49Å; L10-Q16 PolarHBondContact O-NE2 2.81Å; C12-Q16 WeakPolarHBondContact O-CG 2.94Å; C12-Q16 PolarHBondContact O-N 3.47Å; C12-Q16 VanDerWaalsContact O-N 3.07Å; Y14-Q16 PolarHBondContact O-N 3.24Å
17	A	39	Very low	45.8	Very low	41 Å²	41	77.7 Å²	77.7	34%	0.339	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-21.4	-174.1	0	0	0	0	0	114	R13 Y14 T15 D19 I20	R13-A17 WeakPolarHBondContact O-CB 3.3Å; R13-A17 PolarHBondContact O-N 3.37Å; Y14-A17 PolarHBondContact O-N 3.31Å; T15-A17 VanDerWaalsContact C-N 3.33Å; A17-D19 PolarHBondContact O-N 2.92Å; A17-I20 HydrophobicContact CB-CD1 4.18Å; A17-I20 WeakPolarHBondContact O-CB 3.17Å; A17-I20 WeakPolarHBondContact O-CD1 3.05Å; A17-I20 VanDerWaalsContact O-CG1 3.24Å; A17-I20 WeakPolarHBondContact O-CG1 2.98Å; A17-I20 PolarHBondContact O-N 3.48Å
18	W	42.3	Very low	45.9	Very low	146 Å²	146	80.9 Å²	80.9	55%	0.553	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-74.3	-5.1	175.8	-83.4	70.5	0	0	0	113.8	Y14 I20	Y14-W18 AromaticContact CD1-CD1 3.68Å; Y14-W18 AromaticContact CD1-NE1 3.47Å; Y14-W18 AromaticContact CE1-CD1 3.66Å; Y14-W18 AromaticContact CE1-CE2 3.96Å; Y14-W18 HydrophobicContact CE1-CZ2 4.47Å; Y14-W18 AromaticContact CE1-NE1 2.93Å; Y14-W18 AromaticContact CZ-NE1 3.48Å; Y14-W18 PolarHBondContact O-N 3.41Å; W18-I20 VanDerWaalsContact C-N 3.3Å; W18-I20 PolarHBondContact O-N 3.11Å
19	D	38.9	Very low	45.8	Very low	54 Å²	54	78.6 Å²	78.6	29%	0.289	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-88.3	9.6	174.4	-143.1	17.8	0	0	0	113.7	A17 G25 K34	A17-D19 PolarHBondContact O-N 2.92Å; D19-G25 VanDerWaalsContact OD2-CA 3.26Å; D19-G25 WeakPolarHBondContact OD2-CA 3.38Å; D19-K34 IonicContact OD1-NZ 2.77Å; D19-K34 PolarHBondContact OD1-NZ 2.93Å; D19-K34 IonicContact OD2-NZ 3.52Å; D19-K34 PolarHBondContact OD2-NZ 3.11Å
20	I	31.9	Very low	45.5	Very low	142 Å²	142	78.2 Å²	78.2	73%	0.728	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-89.1	-6.2	-172.8	-59.3	172.8	0	0	0	113.2	A17 W18	A17-I20 HydrophobicContact CB-CD1 4.18Å; A17-I20 WeakPolarHBondContact O-CB 3.17Å; A17-I20 WeakPolarHBondContact O-CD1 3.05Å; A17-I20 VanDerWaalsContact O-CG1 3.24Å; A17-I20 WeakPolarHBondContact O-CG1 2.98Å; A17-I20 PolarHBondContact O-N 3.48Å; W18-I20 VanDerWaalsContact C-N 3.3Å; W18-I20 PolarHBondContact O-N 3.11Å
21	S	34.1	Very low	45.1	Very low	85 Å²	85	78.2 Å²	78.2	59%	0.594	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-9.4	-176.1	41.3	0	0	0	0	117.4
22	Y	33.8	Very low	44.9	Very low	164 Å²	164	75.9 Å²	75.9	64%	0.643	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.1	-2.2	-174.2	-90.4	-79	0	0	0	118.9
23	A	29.7	Very low	45	Very low	33 Å²	33	78.9 Å²	78.9	27%	0.273	41%	0.407	S	S	.	.	S	Bend	trans	-172.5	135.8	165.2	0	0	0	0	0	109.4	G25 K34	A23-G25 PolarHBondContact O-N 2.78Å; A23-K34 VanDerWaalsContact CB-NZ 3.26Å; A23-K34 PolarHBondContact O-NZ 3.49Å
24	G	27.3	Very low	44.9	Very low	76 Å²	76	72.7 Å²	72.7	78%	0.784	39%	0.385	S	S	*	.			trans	-57.6	83.8	-173.9	0	0	0	0	0	115.2	T26	G24-T26 PolarHBondContact O-N 3.37Å
25	G	31.2	Very low	44.9	Very low	38 Å²	38	70.8 Å²	70.8	39%	0.392	38%	0.381	S	S	.	.			trans	-65.2	121.6	-175.1	0	0	0	0	0	113.7	D19 A23	D19-G25 VanDerWaalsContact OD2-CA 3.26Å; D19-G25 WeakPolarHBondContact OD2-CA 3.38Å; A23-G25 PolarHBondContact O-N 2.78Å
26	T	41	Very low	44.6	Very low	79 Å²	79	73.7 Å²	73.7	49%	0.485	40%	0.4	S	S	.	.			trans	-74.1	137.8	150.7	48.9	0	0	0	0	107.9	G24 D28 I29	G24-T26 PolarHBondContact O-N 3.37Å; T26-D28 PolarHBondContact O-N 3.4Å; T26-I29 WeakPolarHBondContact OG1-CD1 3.46Å; T26-I29 WeakPolarHBondContact OG1-CG1 3.49Å
27	R	53.2	Low	44.5	Very low	202 Å²	202	76.5 Å²	76.5	76%	0.762	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	2.1	-161.9	-66.5	179.2	-174.8	166.8	2	116.4
28	D	59.6	Low	44.7	Very low	91 Å²	91	79.8 Å²	79.8	49%	0.487	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	17.9	-166.8	-64.3	-44.8	0	0	0	114	T26 R43	T26-D28 PolarHBondContact O-N 3.4Å; D28-R43 PolarHBondContact O-NH1 3.26Å; D28-R43 PolarHBondContact O-NH2 2.87Å
29	I	58.6	Low	45.1	Very low	43 Å²	43	76.2 Å²	76.2	22%	0.221	41%	0.408	C	S	.	.			trans	-105.9	131.6	-176.8	-59.3	-173.1	0	0	0	111.3	T26 E33 K34	T26-I29 WeakPolarHBondContact OG1-CD1 3.46Å; T26-I29 WeakPolarHBondContact OG1-CG1 3.49Å; I29-E33 HydrophobicContact CG2-CB 3.75Å; I29-K34 HydrophobicContact CG2-CB 4Å
30	C	57.3	Low	45.5	Very low	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.406	C	S	.	.			trans	-72.4	148.2	172.7	-64.1	0	0	0	0	111.4	H32 E33 K34 C57	C30-H32 VanDerWaalsContact C-N 3.25Å; C30-H32 WeakPolarHBondContact CB-CE1 3.2Å; C30-H32 WeakPolarHBondContact CB-ND1 3.12Å; C30-H32 PolarHBondContact O-N 3.32Å; C30-E33 HydrophobicContact CB-CB 4.33Å; C30-E33 HydrophobicContact CB-CG 3.86Å; C30-E33 PolarHBondContact N-OE2 3.46Å; C30-E33 WeakPolarHBondContact O-CA 3.42Å; C30-E33 WeakPolarHBondContact O-CB 3.41Å; C30-E33 PolarHBondContact O-N 3.39Å; C30-K34 PolarHBondContact O-N 3.14Å; C30-C57 WeakPolarHBondContact CA-SG 3.41Å; C30-C57 HydrophobicContact CB-CB 3.6Å; C30-C57 WeakPolarHBondContact CB-SG 3.2Å; C30-C57 WeakPolarHBondContact SG-CB 3.42Å; C30-C57 CovalentContact SG-SG 2.02Å; C30-C57 PolarHBondContact SG-SG 3.34Å
31	P	54.7	Low	46.5	Very low	12 Å²	12	70.3 Å²	70.3	8%	0.078	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-32.3	-177.1	23.6	-35.1	0	0	0	113	W8 E33 K34 N35 Y39 V59	W8-P31 HydrophobicContact CD2-CG 4.07Å; W8-P31 HydrophobicContact CE3-CB 4.09Å; W8-P31 HydrophobicContact CE3-CG 3.29Å; W8-P31 HydrophobicContact CH2-CB 3.77Å; W8-P31 HydrophobicContact CH2-CG 3.73Å; W8-P31 HydrophobicContact CZ2-CG 4.47Å; W8-P31 HydrophobicContact CZ3-CB 3.36Å; W8-P31 HydrophobicContact CZ3-CG 3.1Å; P31-E33 VanDerWaalsContact C-N 3.32Å; P31-K34 PolarHBondContact O-N 3.46Å; P31-N35 PolarHBondContact O-N 3.41Å; P31-Y39 HydrophobicContact CB-CD2 4.2Å; P31-Y39 WeakPolarHBondContact O-CD2 3.23Å; P31-V59 HydrophobicContact CG-CG1 4.39Å; P31-V59 HydrophobicContact CG-CG2 3.49Å; P31-V59 VanDerWaalsContact CG-CG2 3.49Å
32	H	54.6	Low	47.4	Very low	18 Å²	18	68.6 Å²	68.6	8%	0.083	36%	0.36	C	S	.	.	H	α-helix	trans	-71.8	-23.3	173	68.5	-92.4	0	0	0	113.4	C30 P36 Y39 G41 Y42	C30-H32 VanDerWaalsContact C-N 3.25Å; C30-H32 WeakPolarHBondContact CB-CE1 3.2Å; C30-H32 WeakPolarHBondContact CB-ND1 3.12Å; C30-H32 PolarHBondContact O-N 3.32Å; H32-P36 WeakPolarHBondContact O-CA 3.29Å; H32-Y39 WeakPolarHBondContact CB-O 3.29Å; H32-G41 PolarHBondContact CD2-O 3.13Å; H32-G41 VanDerWaalsContact CD2-O 3.24Å; H32-G41 PolarHBondContact NE2-O 3.34Å; H32-Y42 PolarHBondContact CE1-N 2.87Å; H32-Y42 VanDerWaalsContact CE1-N 3.32Å; H32-Y42 PolarHBondContact CE1-O 3.45Å; H32-Y42 WeakPolarHBondContact NE2-CA 3.39Å; H32-Y42 PolarHBondContact NE2-N 3.02Å
33	E	58	Low	48.9	Very low	64 Å²	64	65 Å²	65	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-80.1	-30	171.5	-62.8	164.8	176.6	0	0	110.7	I29 C30 P31 R43	I29-E33 HydrophobicContact CG2-CB 3.75Å; C30-E33 HydrophobicContact CB-CB 4.33Å; C30-E33 HydrophobicContact CB-CG 3.86Å; C30-E33 PolarHBondContact N-OE2 3.46Å; C30-E33 WeakPolarHBondContact O-CA 3.42Å; C30-E33 WeakPolarHBondContact O-CB 3.41Å; C30-E33 PolarHBondContact O-N 3.39Å; P31-E33 VanDerWaalsContact C-N 3.32Å; E33-R43 VanDerWaalsContact CD-NH2 3.32Å; E33-R43 IonicContact OE1-CZ 3.07Å; E33-R43 IonicContact OE1-NE 3.19Å; E33-R43 PolarHBondContact OE1-NE 3.39Å; E33-R43 IonicContact OE1-NH2 3.44Å; E33-R43 PolarHBondContact OE1-NH2 3.25Å; E33-R43 IonicContact OE2-CZ 2.64Å; E33-R43 IonicContact OE2-NE 2.65Å; E33-R43 IonicContact OE2-NH2 3.63Å; E33-R43 PolarHBondContact OE2-NH2 3.24Å
34	K	52.9	Low	50.2	Low	54 Å²	54	65.9 Å²	65.9	24%	0.235	34%	0.343	C	S	.	.	H	α-helix	trans	-79.3	-40.1	179.9	-168.9	175	-173.9	176.9	0	113.5	D19 A23 I29 C30 P31 P36	D19-K34 IonicContact OD1-NZ 2.77Å; D19-K34 PolarHBondContact OD1-NZ 2.93Å; D19-K34 IonicContact OD2-NZ 3.52Å; D19-K34 PolarHBondContact OD2-NZ 3.11Å; A23-K34 VanDerWaalsContact CB-NZ 3.26Å; A23-K34 PolarHBondContact O-NZ 3.49Å; I29-K34 HydrophobicContact CG2-CB 4Å; C30-K34 PolarHBondContact O-N 3.14Å; P31-K34 PolarHBondContact O-N 3.46Å; K34-P36 VanDerWaalsContact C-CD 3.5Å
35	N	49.7	Very low	51.8	Low	43 Å²	43	66.2 Å²	66.2	23%	0.23	33%	0.326	C	S	.	.			trans	-129.4	69.1	177.7	-50.4	-86.2	0	0	0	109.1	P31 E37 Q38 Y39	P31-N35 PolarHBondContact O-N 3.41Å; N35-E37 PolarHBondContact O-N 2.07Å; N35-E37 VanDerWaalsContact O-N 3.14Å; N35-Q38 HydrophobicContact CB-CB 3.96Å; N35-Q38 HydrophobicContact CB-CG 4.11Å; N35-Q38 PolarHBondContact O-N 3.45Å; N35-Y39 HydrophobicContact CB-CD2 3.91Å; N35-Y39 HydrophobicContact CB-CE2 3.96Å; N35-Y39 PolarHBondContact O-N 3.25Å
36	P	44.3	Very low	53	Low	91 Å²	91	65 Å²	65	59%	0.591	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.5	-178.9	26	-35.2	0	0	0	113.1	H32 K34	H32-P36 WeakPolarHBondContact O-CA 3.29Å; K34-P36 VanDerWaalsContact C-CD 3.5Å
37	E	41.8	Very low	53.8	Low	130 Å²	130	67.7 Å²	67.7	61%	0.607	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.5	173.4	71.8	-67.7	161	0	0	114.4	N35	N35-E37 PolarHBondContact O-N 2.07Å; N35-E37 VanDerWaalsContact O-N 3.14Å
38	Q	44.5	Very low	54	Low	111 Å²	111	58.7 Å²	58.7	52%	0.519	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-31.7	-178	-62.3	-176.1	15.9	0	0	113.6	N35	N35-Q38 HydrophobicContact CB-CB 3.96Å; N35-Q38 HydrophobicContact CB-CG 4.11Å; N35-Q38 PolarHBondContact O-N 3.45Å
39	Y	49.2	Very low	54.3	Low	70 Å²	70	60.5 Å²	60.5	28%	0.275	29%	0.289	S	S	.	.			trans	-129.5	133.6	-173.9	-48.4	-65.7	0	0	0	110.9	P31 H32 N35 V59 F61	P31-Y39 HydrophobicContact CB-CD2 4.2Å; P31-Y39 WeakPolarHBondContact O-CD2 3.23Å; H32-Y39 WeakPolarHBondContact CB-O 3.29Å; N35-Y39 HydrophobicContact CB-CD2 3.91Å; N35-Y39 HydrophobicContact CB-CE2 3.96Å; N35-Y39 PolarHBondContact O-N 3.25Å; Y39-V59 HydrophobicContact CG-CG1 4.39Å; Y39-F61 AromaticContact CD1-CD1 3.73Å; Y39-F61 HydrophobicContact CD1-CD1 3.73Å; Y39-F61 AromaticContact CD1-CE1 3.28Å; Y39-F61 HydrophobicContact CD1-CE1 3.28Å; Y39-F61 HydrophobicContact CD1-CZ 4.1Å; Y39-F61 HydrophobicContact CE1-CD1 4.02Å; Y39-F61 AromaticContact CE1-CE1 3.41Å; Y39-F61 HydrophobicContact CE1-CE1 3.41Å; Y39-F61 VanDerWaalsContact CE1-CE1 3.41Å; Y39-F61 HydrophobicContact CE1-CZ 4.37Å; Y39-F61 HydrophobicContact CG-CE1 4.4Å
40	F	48.8	Very low	54.8	Low	57 Å²	57	63.3 Å²	63.3	25%	0.25	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	149.6	166.1	-177.1	-121.9	0	0	0	108.7	V59 L60 L128	F40-V59 CarbonylContact O-C 3.56Å; F40-V59 WeakPolarHBondContact O-CA 3.04Å; F40-V59 WeakPolarHBondContact O-CG1 3.49Å; F40-L60 HydrophobicContact CB-CB 4.12Å; F40-L60 HydrophobicContact CD1-CB 3.56Å; F40-L60 HydrophobicContact CD1-CD1 3.26Å; F40-L60 HydrophobicContact CD1-CG 3.99Å; F40-L60 HydrophobicContact CE1-CB 4.44Å; F40-L60 HydrophobicContact CE1-CD1 3.24Å; F40-L60 HydrophobicContact CE1-CG 4.42Å; F40-L60 HydrophobicContact CG-CB 4.28Å; F40-L60 HydrophobicContact CG-CD1 4.47Å; F40-L60 HydrophobicContact CZ-CD1 4.47Å; F40-L60 PolarHBondContact N-O 3.26Å; F40-L60 PolarHBondContact O-N 3.09Å; F40-L128 HydrophobicContact CE1-CD1 3.65Å; F40-L128 HydrophobicContact CE1-CD2 4.38Å; F40-L128 HydrophobicContact CE1-CG 3.92Å; F40-L128 HydrophobicContact CZ-CD1 3.49Å; F40-L128 VanDerWaalsContact CZ-CD1 3.49Å; F40-L128 HydrophobicContact CZ-CG 3.75Å
41	G	53.1	Low	55	Low	15 Å²	15	70.8 Å²	70.8	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	178.1	175.8	0	0	0	0	0	112.8	H32 I58	H32-G41 PolarHBondContact CD2-O 3.13Å; H32-G41 VanDerWaalsContact CD2-O 3.24Å; H32-G41 PolarHBondContact NE2-O 3.34Å; G41-I58 CarbonylContact C-O 3.34Å; G41-I58 WeakPolarHBondContact CA-O 3.45Å
42	Y	52.7	Low	55.1	Low	50 Å²	50	75.4 Å²	75.4	20%	0.196	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.1	172.4	64.2	-82.9	0	0	0	110.5	H32 K44 I58 F123	H32-Y42 PolarHBondContact CE1-N 2.87Å; H32-Y42 VanDerWaalsContact CE1-N 3.32Å; H32-Y42 PolarHBondContact CE1-O 3.45Å; H32-Y42 WeakPolarHBondContact NE2-CA 3.39Å; H32-Y42 PolarHBondContact NE2-N 3.02Å; Y42-K44 HydrophobicContact CD2-CB 4.39Å; Y42-K44 HydrophobicContact CE2-CB 4.08Å; Y42-K44 HydrophobicContact CE2-CD 4.45Å; Y42-I58 HydrophobicContact CD1-CB 4.1Å; Y42-I58 HydrophobicContact CD1-CG2 4.36Å; Y42-I58 HydrophobicContact CE1-CB 3.71Å; Y42-I58 HydrophobicContact CE1-CD1 4.23Å; Y42-I58 HydrophobicContact CE1-CG1 4.46Å; Y42-I58 HydrophobicContact CE1-CG2 3.65Å; Y42-I58 HydrophobicContact CE2-CB 4.25Å; Y42-I58 HydrophobicContact CE2-CD1 3.6Å; Y42-I58 HydrophobicContact CE2-CG1 4.2Å; Y42-I58 PolarHBondContact N-O 2.83Å; Y42-I58 PolarHBondContact O-N 3.03Å; Y42-I58 WeakPolarHBondContact OH-CD1 3.02Å; Y42-F123 AromaticContact CE1-CD1 3.93Å; Y42-F123 HydrophobicContact CE1-CD1 3.93Å; Y42-F123 HydrophobicContact CE1-CE1 4.07Å; Y42-F123 HydrophobicContact CE1-CG 4.36Å; Y42-F123 AromaticContact CZ-CD1 3.79Å; Y42-F123 AromaticContact CZ-CE1 3.86Å; Y42-F123 WeakPolarHBondContact OH-CD1 3.34Å; Y42-F123 WeakPolarHBondContact OH-CE1 3.47Å
43	R	63.9	Low	55.2	Low	87 Å²	87	78.2 Å²	78.2	33%	0.328	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.8	169.5	-171.8	-172.2	-64.3	-138.2	-1.9	109.6	D28 E33 I56	D28-R43 PolarHBondContact O-NH1 3.26Å; D28-R43 PolarHBondContact O-NH2 2.87Å; E33-R43 VanDerWaalsContact CD-NH2 3.32Å; E33-R43 IonicContact OE1-CZ 3.07Å; E33-R43 IonicContact OE1-NE 3.19Å; E33-R43 PolarHBondContact OE1-NE 3.39Å; E33-R43 IonicContact OE1-NH2 3.44Å; E33-R43 PolarHBondContact OE1-NH2 3.25Å; E33-R43 IonicContact OE2-CZ 2.64Å; E33-R43 IonicContact OE2-NE 2.65Å; E33-R43 IonicContact OE2-NH2 3.63Å; E33-R43 PolarHBondContact OE2-NH2 3.24Å; R43-I56 CarbonylContact C-O 3.53Å; R43-I56 WeakPolarHBondContact CA-O 3.35Å
44	K	58.2	Low	55.1	Low	53 Å²	53	76.1 Å²	76.1	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.6	171.2	-167.4	172.2	-170.6	177.6	0	109.6	Y42 I46 I56 I58 E100	Y42-K44 HydrophobicContact CD2-CB 4.39Å; Y42-K44 HydrophobicContact CE2-CB 4.08Å; Y42-K44 HydrophobicContact CE2-CD 4.45Å; K44-I46 HydrophobicContact CD-CD1 4.38Å; K44-I46 HydrophobicContact CD-CG1 4.32Å; K44-I46 HydrophobicContact CG-CG1 4.19Å; K44-I56 PolarHBondContact N-O 3.44Å; K44-I56 PolarHBondContact O-N 2.7Å; K44-I58 HydrophobicContact CB-CD1 4.28Å; K44-I58 HydrophobicContact CD-CD1 4.41Å; K44-E100 WeakPolarHBondContact CE-OE2 2.81Å; K44-E100 IonicContact NZ-OE1 3.04Å; K44-E100 PolarHBondContact NZ-OE1 2.97Å; K44-E100 IonicContact NZ-OE2 2.81Å; K44-E100 PolarHBondContact NZ-OE2 3.34Å
45	I	61.3	Low	55.5	Low	83 Å²	83	75.4 Å²	75.4	43%	0.426	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.3	170.1	-55.3	178.6	0	0	0	107.1	Y47 P53 Y54	I45-Y47 HydrophobicContact CG2-CE1 4.5Å; I45-Y47 HydrophobicContact CG2-CE2 4.11Å; I45-P53 HydrophobicContact CG2-CB 3.58Å; I45-Y54 CarbonylContact C-O 3.42Å; I45-Y54 WeakPolarHBondContact CA-O 3.37Å
46	I	56.6	Low	56	Low	12 Å²	12	73.3 Å²	73.3	6%	0.062	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.2	174.2	-54.6	-163.6	0	0	0	108.2	K44 P53 Y54 I56 P93 E96 A97	K44-I46 HydrophobicContact CD-CD1 4.38Å; K44-I46 HydrophobicContact CD-CG1 4.32Å; K44-I46 HydrophobicContact CG-CG1 4.19Å; I46-P53 CarbonylContact O-C 3.59Å; I46-Y54 PolarHBondContact N-O 3.37Å; I46-Y54 PolarHBondContact O-N 3.21Å; I46-I56 HydrophobicContact CB-CD1 4.27Å; I46-I56 HydrophobicContact CD1-CD1 3.57Å; I46-I56 HydrophobicContact CG1-CD1 3.91Å; I46-P93 HydrophobicContact CG2-CB 4.33Å; I46-E96 HydrophobicContact CG2-CB 4.28Å; I46-A97 HydrophobicContact CD1-CB 3.26Å
47	Y	57.9	Low	56.8	Low	136 Å²	136	69 Å²	69	53%	0.533	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.2	179.6	-63.6	-90	0	0	0	109	I45 R52 P53	I45-Y47 HydrophobicContact CG2-CE1 4.5Å; I45-Y47 HydrophobicContact CG2-CE2 4.11Å; Y47-R52 VanDerWaalsContact CA-O 3.3Å; Y47-R52 WeakPolarHBondContact CA-O 3.32Å; Y47-P53 HydrophobicContact CD1-CB 4.13Å; Y47-P53 HydrophobicContact CE1-CB 3.79Å
48	D	57.3	Low	57.8	Low	13 Å²	13	62.9 Å²	62.9	7%	0.07	30%	0.295	C	S	.	.			trans	-69.2	174.5	168.3	64.2	17.1	0	0	0	111.6	N50 H51 R52 Y54 P93	D48-N50 PolarHBondContact O-N 3.29Å; D48-N50 VanDerWaalsContact OD1-CA 3.22Å; D48-N50 WeakPolarHBondContact OD1-CA 3.21Å; D48-N50 VanDerWaalsContact OD1-CB 3.32Å; D48-N50 WeakPolarHBondContact OD1-CB 3.43Å; D48-N50 PolarHBondContact OD1-N 2.72Å; D48-H51 WeakPolarHBondContact O-CA 3.16Å; D48-H51 PolarHBondContact O-N 2.82Å; D48-H51 PolarHBondContact OD1-N 3.45Å; D48-H51 VanDerWaalsContact OD1-N 3.09Å; D48-R52 PolarHBondContact N-O 2.69Å; D48-R52 VanDerWaalsContact N-O 3.09Å; D48-R52 WeakPolarHBondContact OD1-CB 3.5Å; D48-R52 PolarHBondContact OD1-N 3.39Å; D48-R52 WeakPolarHBondContact OD2-CB 3.14Å; D48-R52 WeakPolarHBondContact OD2-CD 3.37Å; D48-R52 IonicContact OD2-NE 3.67Å; D48-Y54 HydrophobicContact CB-CD2 4.46Å; D48-Y54 HydrophobicContact CB-CE2 3.7Å; D48-Y54 VanDerWaalsContact OD2-CE2 3.32Å; D48-Y54 WeakPolarHBondContact OD2-CE2 3.47Å; D48-Y54 PolarHBondContact OD2-OH 2.9Å; D48-P93 HydrophobicContact CB-CG 4.06Å
49	D	64.4	Low	58.4	Low	129 Å²	129	57.6 Å²	57.6	69%	0.69	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-25	172.6	-69.5	-39.5	0	0	0	113.6
50	N	70.6	Confident	58.7	Low	101 Å²	101	54.3 Å²	54.3	54%	0.54	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12.2	178.2	-61.2	-54.5	0	0	0	113.3	D48 R52	D48-N50 PolarHBondContact O-N 3.29Å; D48-N50 VanDerWaalsContact OD1-CA 3.22Å; D48-N50 WeakPolarHBondContact OD1-CA 3.21Å; D48-N50 VanDerWaalsContact OD1-CB 3.32Å; D48-N50 WeakPolarHBondContact OD1-CB 3.43Å; D48-N50 PolarHBondContact OD1-N 2.72Å; N50-R52 HydrophobicContact CB-CG 4.16Å; N50-R52 PolarHBondContact ND2-NH2 2.89Å; N50-R52 PolarHBondContact O-N 2.72Å
51	H	61.4	Low	58.8	Low	157 Å²	157	52.4 Å²	52.4	73%	0.727	25%	0.25	S	C	*	.			trans	60	24.3	-177	-59.8	61.8	0	0	0	114.3	D48	D48-H51 WeakPolarHBondContact O-CA 3.16Å; D48-H51 PolarHBondContact O-N 2.82Å; D48-H51 PolarHBondContact OD1-N 3.45Å; D48-H51 VanDerWaalsContact OD1-N 3.09Å
52	R	57.1	Low	58.3	Low	110 Å²	110	53.9 Å²	53.9	42%	0.415	26%	0.256	S	S	.	.			trans	-83.6	131.2	173.8	-51.1	179	-160.2	156.9	7.6	109.5	Y47 D48 N50 Y54 E90	Y47-R52 VanDerWaalsContact CA-O 3.3Å; Y47-R52 WeakPolarHBondContact CA-O 3.32Å; D48-R52 PolarHBondContact N-O 2.69Å; D48-R52 VanDerWaalsContact N-O 3.09Å; D48-R52 WeakPolarHBondContact OD1-CB 3.5Å; D48-R52 PolarHBondContact OD1-N 3.39Å; D48-R52 WeakPolarHBondContact OD2-CB 3.14Å; D48-R52 WeakPolarHBondContact OD2-CD 3.37Å; D48-R52 IonicContact OD2-NE 3.67Å; N50-R52 HydrophobicContact CB-CG 4.16Å; N50-R52 PolarHBondContact ND2-NH2 2.89Å; N50-R52 PolarHBondContact O-N 2.72Å; R52-Y54 HydrophobicContact CB-CE2 3.98Å; R52-Y54 WeakPolarHBondContact O-CD2 3.39Å; R52-Y54 VanDerWaalsContact O-CE2 3.26Å; R52-Y54 WeakPolarHBondContact O-CE2 3.39Å; R52-E90 IonicContact NH1-OE2 2.72Å; R52-E90 PolarHBondContact NH1-OE2 2.72Å
53	P	56.2	Low	57.8	Low	76 Å²	76	57.6 Å²	57.6	49%	0.494	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.1	-178.9	30.4	-33.6	0	0	0	112.4	I45 I46 Y47	I45-P53 HydrophobicContact CG2-CB 3.58Å; I46-P53 CarbonylContact O-C 3.59Å; Y47-P53 HydrophobicContact CD1-CB 4.13Å; Y47-P53 HydrophobicContact CE1-CB 3.79Å
54	Y	55.1	Low	56.3	Low	20 Å²	20	54.9 Å²	54.9	8%	0.078	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.3	174.2	-65.4	-98.9	0	0	0	109.9	I45 I46 D48 R52 P93	I45-Y54 CarbonylContact C-O 3.42Å; I45-Y54 WeakPolarHBondContact CA-O 3.37Å; I46-Y54 PolarHBondContact N-O 3.37Å; I46-Y54 PolarHBondContact O-N 3.21Å; D48-Y54 HydrophobicContact CB-CD2 4.46Å; D48-Y54 HydrophobicContact CB-CE2 3.7Å; D48-Y54 VanDerWaalsContact OD2-CE2 3.32Å; D48-Y54 WeakPolarHBondContact OD2-CE2 3.47Å; D48-Y54 PolarHBondContact OD2-OH 2.9Å; R52-Y54 HydrophobicContact CB-CE2 3.98Å; R52-Y54 WeakPolarHBondContact O-CD2 3.39Å; R52-Y54 VanDerWaalsContact O-CE2 3.26Å; R52-Y54 WeakPolarHBondContact O-CE2 3.39Å; Y54-P93 HydrophobicContact CD1-CB 4.23Å; Y54-P93 HydrophobicContact CD1-CG 3.75Å; Y54-P93 HydrophobicContact CD2-CB 3.63Å; Y54-P93 HydrophobicContact CD2-CG 3.15Å; Y54-P93 HydrophobicContact CE1-CG 3.82Å; Y54-P93 HydrophobicContact CE2-CB 4.23Å; Y54-P93 HydrophobicContact CE2-CG 3.26Å; Y54-P93 HydrophobicContact CG-CB 3.63Å; Y54-P93 HydrophobicContact CG-CG 3.42Å; Y54-P93 VanDerWaalsContact CG-CG 3.42Å
55	N	62	Low	55.1	Low	39 Å²	39	63.9 Å²	63.9	21%	0.209	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.1	177.3	-64	-66.5	0	0	0	110.3	L10	L10-N55 HydrophobicContact CB-CB 4.29Å; L10-N55 HydrophobicContact CD1-CB 3.87Å; L10-N55 HydrophobicContact CG-CB 4.45Å; L10-N55 PolarHBondContact N-O 2.58Å; L10-N55 VanDerWaalsContact N-O 3.15Å
56	I	60	Low	53.9	Low	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	177.2	-58.7	-178.3	0	0	0	108.6	L7 W8 R43 K44 I46 I58 A97	L7-I56 HydrophobicContact CD2-CG2 4.48Å; W8-I56 CarbonylContact O-C 3.45Å; W8-I56 WeakPolarHBondContact O-CA 3.41Å; R43-I56 CarbonylContact C-O 3.53Å; R43-I56 WeakPolarHBondContact CA-O 3.35Å; K44-I56 PolarHBondContact N-O 3.44Å; K44-I56 PolarHBondContact O-N 2.7Å; I46-I56 HydrophobicContact CB-CD1 4.27Å; I46-I56 HydrophobicContact CD1-CD1 3.57Å; I46-I56 HydrophobicContact CG1-CD1 3.91Å; I56-I58 HydrophobicContact CG2-CG1 4.23Å; I56-A97 HydrophobicContact CD1-CB 3.47Å; I56-A97 VanDerWaalsContact CD1-CB 3.47Å
57	C	61.6	Low	52.5	Low	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.4	172.3	-53.9	0	0	0	0	109	L7 W8 L10 C30 V59	L7-C57 CarbonylContact C-O 3.44Å; L7-C57 WeakPolarHBondContact CA-O 3.36Å; W8-C57 HydrophobicContact CB-CB 4.02Å; W8-C57 PolarHBondContact N-O 2.77Å; W8-C57 PolarHBondContact O-N 3.36Å; L10-C57 VanDerWaalsContact CD2-SG 3.56Å; L10-C57 WeakPolarHBondContact CG-SG 3.27Å; C30-C57 WeakPolarHBondContact CA-SG 3.41Å; C30-C57 HydrophobicContact CB-CB 3.6Å; C30-C57 WeakPolarHBondContact CB-SG 3.2Å; C30-C57 WeakPolarHBondContact SG-CB 3.42Å; C30-C57 CovalentContact SG-SG 2.02Å; C30-C57 PolarHBondContact SG-SG 3.34Å; C57-V59 HydrophobicContact CB-CG2 4.38Å
58	I	62.6	Low	51.3	Low	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.7	177	-56	-174.7	0	0	0	106.1	V5 L7 G41 Y42 K44 I56 I101	V5-I58 HydrophobicContact CG1-CG2 3.77Å; L7-I58 HydrophobicContact CD2-CB 4.26Å; L7-I58 HydrophobicContact CD2-CD1 4.08Å; L7-I58 HydrophobicContact CD2-CG1 3.64Å; L7-I58 HydrophobicContact CD2-CG2 4.09Å; G41-I58 CarbonylContact C-O 3.34Å; G41-I58 WeakPolarHBondContact CA-O 3.45Å; Y42-I58 HydrophobicContact CD1-CB 4.1Å; Y42-I58 HydrophobicContact CD1-CG2 4.36Å; Y42-I58 HydrophobicContact CE1-CB 3.71Å; Y42-I58 HydrophobicContact CE1-CD1 4.23Å; Y42-I58 HydrophobicContact CE1-CG1 4.46Å; Y42-I58 HydrophobicContact CE1-CG2 3.65Å; Y42-I58 HydrophobicContact CE2-CB 4.25Å; Y42-I58 HydrophobicContact CE2-CD1 3.6Å; Y42-I58 HydrophobicContact CE2-CG1 4.2Å; Y42-I58 PolarHBondContact N-O 2.83Å; Y42-I58 PolarHBondContact O-N 3.03Å; Y42-I58 WeakPolarHBondContact OH-CD1 3.02Å; K44-I58 HydrophobicContact CB-CD1 4.28Å; K44-I58 HydrophobicContact CD-CD1 4.41Å; I56-I58 HydrophobicContact CG2-CG1 4.23Å; I58-I101 HydrophobicContact CD1-CD1 3.6Å; I58-I101 HydrophobicContact CD1-CG1 4.5Å
59	V	57.1	Low	50.1	Low	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.1	-172.2	-168.5	0	0	0	0	108.7	V5 V6 P31 Y39 F40 C57 F61	V5-V59 CarbonylContact C-O 3.5Å; V5-V59 WeakPolarHBondContact CA-O 2.99Å; V6-V59 PolarHBondContact N-O 3.44Å; V6-V59 PolarHBondContact O-N 2.78Å; P31-V59 HydrophobicContact CG-CG1 4.39Å; P31-V59 HydrophobicContact CG-CG2 3.49Å; P31-V59 VanDerWaalsContact CG-CG2 3.49Å; Y39-V59 HydrophobicContact CG-CG1 4.39Å; F40-V59 CarbonylContact O-C 3.56Å; F40-V59 WeakPolarHBondContact O-CA 3.04Å; F40-V59 WeakPolarHBondContact O-CG1 3.49Å; C57-V59 HydrophobicContact CB-CG2 4.38Å; V59-F61 HydrophobicContact CB-CE2 3.88Å; V59-F61 HydrophobicContact CB-CZ 4.3Å; V59-F61 HydrophobicContact CG1-CD2 4.25Å; V59-F61 HydrophobicContact CG1-CE1 4.33Å; V59-F61 HydrophobicContact CG1-CE2 3.54Å; V59-F61 HydrophobicContact CG1-CZ 3.62Å
60	L	54.8	Low	48.6	Very low	1 Å²	1	66.6 Å²	66.6	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.9	-176.8	-70.5	165.8	0	0	0	108.3	L3 N4 V5 F40	L3-L60 HydrophobicContact CB-CD2 4.3Å; N4-L60 WeakPolarHBondContact O-CA 3.46Å; V5-L60 HydrophobicContact CB-CD2 4.27Å; V5-L60 HydrophobicContact CG1-CD2 4.18Å; V5-L60 HydrophobicContact CG2-CD2 3.66Å; F40-L60 HydrophobicContact CB-CB 4.12Å; F40-L60 HydrophobicContact CD1-CB 3.56Å; F40-L60 HydrophobicContact CD1-CD1 3.26Å; F40-L60 HydrophobicContact CD1-CG 3.99Å; F40-L60 HydrophobicContact CE1-CB 4.44Å; F40-L60 HydrophobicContact CE1-CD1 3.24Å; F40-L60 HydrophobicContact CE1-CG 4.42Å; F40-L60 HydrophobicContact CG-CB 4.28Å; F40-L60 HydrophobicContact CG-CD1 4.47Å; F40-L60 HydrophobicContact CZ-CD1 4.47Å; F40-L60 PolarHBondContact N-O 3.26Å; F40-L60 PolarHBondContact O-N 3.09Å
61	F	51.8	Low	46.9	Very low	18 Å²	18	65.3 Å²	65.3	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.5	178.9	-58.6	-99.9	0	0	0	110.1	N4 V6 Y39 V59 H63 A64 I66	N4-F61 HydrophobicContact CB-CB 4.2Å; N4-F61 PolarHBondContact N-O 2.83Å; N4-F61 PolarHBondContact O-N 3.32Å; V6-F61 HydrophobicContact CB-CE2 3.75Å; V6-F61 HydrophobicContact CG2-CD2 3.85Å; V6-F61 HydrophobicContact CG2-CE2 3.34Å; V6-F61 HydrophobicContact CG2-CZ 4.29Å; Y39-F61 AromaticContact CD1-CD1 3.73Å; Y39-F61 HydrophobicContact CD1-CD1 3.73Å; Y39-F61 AromaticContact CD1-CE1 3.28Å; Y39-F61 HydrophobicContact CD1-CE1 3.28Å; Y39-F61 HydrophobicContact CD1-CZ 4.1Å; Y39-F61 HydrophobicContact CE1-CD1 4.02Å; Y39-F61 AromaticContact CE1-CE1 3.41Å; Y39-F61 HydrophobicContact CE1-CE1 3.41Å; Y39-F61 VanDerWaalsContact CE1-CE1 3.41Å; Y39-F61 HydrophobicContact CE1-CZ 4.37Å; Y39-F61 HydrophobicContact CG-CE1 4.4Å; V59-F61 HydrophobicContact CB-CE2 3.88Å; V59-F61 HydrophobicContact CB-CZ 4.3Å; V59-F61 HydrophobicContact CG1-CD2 4.25Å; V59-F61 HydrophobicContact CG1-CE1 4.33Å; V59-F61 HydrophobicContact CG1-CE2 3.54Å; V59-F61 HydrophobicContact CG1-CZ 3.62Å; F61-H63 PolarHBondContact O-N 3.36Å; F61-A64 HydrophobicContact CB-CB 4.39Å; F61-I66 HydrophobicContact CD1-CD1 3.66Å; F61-I66 HydrophobicContact CD1-CG1 4.49Å; F61-I66 HydrophobicContact CD2-CD1 4.38Å; F61-I66 HydrophobicContact CE1-CD1 3.65Å; F61-I66 HydrophobicContact CE2-CD1 4.44Å; F61-I66 HydrophobicContact CG-CD1 4.02Å; F61-I66 HydrophobicContact CZ-CD1 4.08Å
62	P	41.1	Very low	45.6	Very low	46 Å²	46	65.4 Å²	65.4	30%	0.299	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	113.4	163.9	26.9	-28.4	0	0	0	108.9	M1 L3 A64	M1-P62 HydrophobicContact CE-CB 4.02Å; L3-P62 HydrophobicContact CD2-CB 4.07Å; P62-A64 VanDerWaalsContact C-N 3.34Å; P62-A64 PolarHBondContact O-N 2.9Å; P62-A64 VanDerWaalsContact O-N 3.07Å
63	H	42.7	Very low	44.6	Very low	127 Å²	127	61.3 Å²	61.3	59%	0.588	34%	0.342	S	S	*	.	S	Bend	trans	60.7	23.5	159.4	-76.9	-101.1	0	0	0	119	M1 F61 R65	M1-H63 VanDerWaalsContact CG-CD2 3.48Å; M1-H63 WeakPolarHBondContact CG-CD2 3.15Å; M1-H63 WeakPolarHBondContact CG-NE2 3.01Å; F61-H63 PolarHBondContact O-N 3.36Å; H63-R65 PolarHBondContact O-N 3.1Å
64	A	33	Very low	43.5	Very low	31 Å²	31	62.8 Å²	62.8	26%	0.256	35%	0.354	S	S	.	.			trans	-83.2	107.9	176.8	0	0	0	0	0	111.7	N4 F61 P62 I66	N4-A64 PolarHBondContact ND2-O 3.15Å; F61-A64 HydrophobicContact CB-CB 4.39Å; P62-A64 VanDerWaalsContact C-N 3.34Å; P62-A64 PolarHBondContact O-N 2.9Å; P62-A64 VanDerWaalsContact O-N 3.07Å; A64-I66 HydrophobicContact CB-CB 4.33Å; A64-I66 HydrophobicContact CB-CD1 4.19Å; A64-I66 HydrophobicContact CB-CG1 3.32Å; A64-I66 PolarHBondContact O-N 2.89Å
65	R	32.3	Very low	42.7	Very low	241 Å²	241	65 Å²	65	91%	0.909	37%	0.366	S	S	*	.				-57.8	99.6	127	-87	-173.6	-176.6	176.4	3.3	103.3	H63 S67	H63-R65 PolarHBondContact O-N 3.1Å; R65-S67 PolarHBondContact O-N 3.31Å
66	I	35.4	Very low	41.8	Very low	31 Å²	31	67.1 Å²	67.1	16%	0.159	37%	0.374	C	S	.	.			trans	-70	85.3	176.6	-52.5	175.9	0	0	0	105.9	F61 A64 G68 I69 Y71	F61-I66 HydrophobicContact CD1-CD1 3.66Å; F61-I66 HydrophobicContact CD1-CG1 4.49Å; F61-I66 HydrophobicContact CD2-CD1 4.38Å; F61-I66 HydrophobicContact CE1-CD1 3.65Å; F61-I66 HydrophobicContact CE2-CD1 4.44Å; F61-I66 HydrophobicContact CG-CD1 4.02Å; F61-I66 HydrophobicContact CZ-CD1 4.08Å; A64-I66 HydrophobicContact CB-CB 4.33Å; A64-I66 HydrophobicContact CB-CD1 4.19Å; A64-I66 HydrophobicContact CB-CG1 3.32Å; A64-I66 PolarHBondContact O-N 2.89Å; I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 2.93Å; I66-I69 HydrophobicContact CB-CB 4.16Å; I66-I69 HydrophobicContact CB-CD1 4.28Å; I66-I69 HydrophobicContact CB-CG1 4.29Å; I66-I69 HydrophobicContact CD1-CD1 4.24Å; I66-I69 HydrophobicContact CG2-CB 3.93Å; I66-I69 HydrophobicContact CG2-CD1 3.63Å; I66-I69 HydrophobicContact CG2-CG1 3.56Å; I66-I69 PolarHBondContact O-N 3.11Å; I66-Y71 HydrophobicContact CB-CE2 3.55Å; I66-Y71 VanDerWaalsContact CB-OH 3.26Å; I66-Y71 WeakPolarHBondContact CB-OH 3.34Å; I66-Y71 HydrophobicContact CD1-CE2 4.43Å; I66-Y71 WeakPolarHBondContact CD1-OH 3.47Å; I66-Y71 HydrophobicContact CG1-CE2 4.05Å; I66-Y71 WeakPolarHBondContact CG1-OH 3.46Å
67	S	28.9	Very low	41	Very low	122 Å²	122	73.6 Å²	73.6	85%	0.853	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	97.8	170.9	37.5	0	0	0	0	106.7	R65	R65-S67 PolarHBondContact O-N 3.31Å
68	G	32.8	Very low	40	Very low	79 Å²	79	76.6 Å²	76.6	81%	0.814	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.5	-22.3	-173.3	0	0	0	0	0	113.5	I66	I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 2.93Å
69	I	32.4	Very low	39.1	Very low	82 Å²	82	79.2 Å²	79.2	42%	0.421	44%	0.441	S	S	.	.	S	Bend	trans	-104.4	110.7	169	-61.5	-179.9	0	0	0	107.2	I66 Y71	I66-I69 HydrophobicContact CB-CB 4.16Å; I66-I69 HydrophobicContact CB-CD1 4.28Å; I66-I69 HydrophobicContact CB-CG1 4.29Å; I66-I69 HydrophobicContact CD1-CD1 4.24Å; I66-I69 HydrophobicContact CG2-CB 3.93Å; I66-I69 HydrophobicContact CG2-CD1 3.63Å; I66-I69 HydrophobicContact CG2-CG1 3.56Å; I66-I69 PolarHBondContact O-N 3.11Å; I69-Y71 VanDerWaalsContact C-N 3.27Å; I69-Y71 HydrophobicContact CB-CD2 4.49Å; I69-Y71 HydrophobicContact CB-CE1 4.3Å; I69-Y71 HydrophobicContact CB-CE2 3.87Å; I69-Y71 WeakPolarHBondContact CD1-OH 3.45Å; I69-Y71 HydrophobicContact CG2-CD1 4.04Å; I69-Y71 HydrophobicContact CG2-CD2 4.4Å; I69-Y71 HydrophobicContact CG2-CE1 3.58Å; I69-Y71 HydrophobicContact CG2-CE2 4.01Å; I69-Y71 HydrophobicContact CG2-CG 4.39Å; I69-Y71 WeakPolarHBondContact O-CD2 3.5Å; I69-Y71 PolarHBondContact O-N 2.86Å
70	N	31.9	Very low	38.6	Very low	116 Å²	116	82.6 Å²	82.6	62%	0.62	45%	0.454	S	S	*	.			trans	-70.4	85.9	174.2	-173.1	-0.4	0	0	0	109.5	N72 G73	N70-N72 PolarHBondContact O-N 3.43Å; N70-N72 VanDerWaalsContact O-N 3.13Å; N70-N72 PolarHBondContact OD1-N 2.86Å; N70-N72 VanDerWaalsContact OD1-N 3.16Å; N70-G73 PolarHBondContact O-N 3.31Å; N70-G73 PolarHBondContact OD1-N 2.87Å
71	Y	35.8	Very low	38.3	Very low	75 Å²	75	83.5 Å²	83.5	29%	0.294	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.7	175.3	-69.6	-67.6	0	0	0	114.5	I66 I69	I66-Y71 HydrophobicContact CB-CE2 3.55Å; I66-Y71 VanDerWaalsContact CB-OH 3.26Å; I66-Y71 WeakPolarHBondContact CB-OH 3.34Å; I66-Y71 HydrophobicContact CD1-CE2 4.43Å; I66-Y71 WeakPolarHBondContact CD1-OH 3.47Å; I66-Y71 HydrophobicContact CG1-CE2 4.05Å; I66-Y71 WeakPolarHBondContact CG1-OH 3.46Å; I69-Y71 VanDerWaalsContact C-N 3.27Å; I69-Y71 HydrophobicContact CB-CD2 4.49Å; I69-Y71 HydrophobicContact CB-CE1 4.3Å; I69-Y71 HydrophobicContact CB-CE2 3.87Å; I69-Y71 WeakPolarHBondContact CD1-OH 3.45Å; I69-Y71 HydrophobicContact CG2-CD1 4.04Å; I69-Y71 HydrophobicContact CG2-CD2 4.4Å; I69-Y71 HydrophobicContact CG2-CE1 3.58Å; I69-Y71 HydrophobicContact CG2-CE2 4.01Å; I69-Y71 HydrophobicContact CG2-CG 4.39Å; I69-Y71 WeakPolarHBondContact O-CD2 3.5Å; I69-Y71 PolarHBondContact O-N 2.86Å
72	N	33.5	Very low	38	Very low	158 Å²	158	87.2 Å²	87.2	85%	0.845	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	5.3	-178.1	-71	-4.6	0	0	0	112.7	N70	N70-N72 PolarHBondContact O-N 3.43Å; N70-N72 VanDerWaalsContact O-N 3.13Å; N70-N72 PolarHBondContact OD1-N 2.86Å; N70-N72 VanDerWaalsContact OD1-N 3.16Å
73	G	34.8	Very low	38.2	Very low	24 Å²	24	85.7 Å²	85.7	25%	0.247	47%	0.47	C	S	.	.	S	Bend	trans	-96.7	138.5	168.9	0	0	0	0	0	110.9	N70 I75	N70-G73 PolarHBondContact O-N 3.31Å; N70-G73 PolarHBondContact OD1-N 2.87Å; G73-I75 PolarHBondContact O-N 2.94Å
74	S	34.7	Very low	38.7	Very low	107 Å²	107	84.9 Å²	84.9	75%	0.748	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	17.3	177.7	48.4	0	0	0	0	117.5
75	I	37.3	Very low	39.5	Very low	67 Å²	67	89.4 Å²	89.4	34%	0.344	48%	0.482	S	S	.	.	H	α-helix	trans	-78.4	-26.3	-169.4	-62.1	171.5	0	0	0	112.1	G73 E77 A78 E79	G73-I75 PolarHBondContact O-N 2.94Å; I75-E77 PolarHBondContact O-N 3.25Å; I75-A78 CarbonylContact O-C 3.45Å; I75-A78 PolarHBondContact O-N 2.68Å; I75-A78 VanDerWaalsContact O-N 3.16Å; I75-E79 HydrophobicContact CG2-CG 4.06Å; I75-E79 PolarHBondContact O-N 3.27Å
76	K	42.9	Very low	40.4	Very low	84 Å²	84	81.3 Å²	81.3	37%	0.365	46%	0.459	S	S	.	.	H	α-helix	trans	-64.5	-38.4	179.9	-72.7	-171.5	177.6	-179.7	0	113.5	Y80	K76-Y80 WeakPolarHBondContact O-CB 3.47Å; K76-Y80 PolarHBondContact O-N 3.12Å
77	E	43.8	Very low	41.3	Very low	136 Å²	136	81.4 Å²	81.4	64%	0.636	46%	0.46	S	S	*	.	H	α-helix	trans	-72.6	-35.2	174.3	-71.6	-178.4	162.7	0	0	111.2	I75 G81 L109	I75-E77 PolarHBondContact O-N 3.25Å; E77-G81 PolarHBondContact O-N 3.49Å; E77-L109 HydrophobicContact CG-CD2 4.39Å
78	A	41.4	Very low	42.3	Very low	62 Å²	62	84.7 Å²	84.7	51%	0.512	46%	0.459	S	S	.	.	H	α-helix	trans	-67.8	-40.6	176.4	0	0	0	0	0	112.4	I75 F82	I75-A78 CarbonylContact O-C 3.45Å; I75-A78 PolarHBondContact O-N 2.68Å; I75-A78 VanDerWaalsContact O-N 3.16Å; A78-F82 WeakPolarHBondContact O-CB 3.36Å; A78-F82 PolarHBondContact O-N 3.32Å
79	E	43	Very low	43	Very low	57 Å²	57	83.6 Å²	83.6	27%	0.266	45%	0.447	S	S	.	.	H	α-helix	trans	-64.5	-49.5	176	-80.7	-173.8	149.2	0	0	111.9	Y14 I75 F82 C83	Y14-E79 HydrophobicContact CD1-CG 3.52Å; Y14-E79 WeakPolarHBondContact CD1-OE1 3.33Å; Y14-E79 HydrophobicContact CE1-CG 3.62Å; Y14-E79 WeakPolarHBondContact CE1-OE1 3.11Å; I75-E79 HydrophobicContact CG2-CG 4.06Å; I75-E79 PolarHBondContact O-N 3.27Å; E79-F82 PolarHBondContact O-N 3.28Å; E79-C83 PolarHBondContact O-N 2.86Å; E79-C83 PolarHBondContact O-SG 2.95Å
80	Y	46.4	Very low	43.7	Very low	71 Å²	71	83.9 Å²	83.9	28%	0.278	45%	0.447	S	S	.	.	H	α-helix	trans	-61.4	-47	176.7	178.3	-96.2	0	0	0	111.3	K76 F82 R84 L91 F94 E95	K76-Y80 WeakPolarHBondContact O-CB 3.47Å; K76-Y80 PolarHBondContact O-N 3.12Å; Y80-F82 PolarHBondContact O-N 2.71Å; Y80-R84 VanDerWaalsContact O-CB 3.26Å; Y80-R84 WeakPolarHBondContact O-CB 3.46Å; Y80-R84 PolarHBondContact O-N 2.03Å; Y80-R84 PolarHBondContact OH-NH2 2.69Å; Y80-L91 HydrophobicContact CE2-CD1 4.41Å; Y80-F94 HydrophobicContact CD2-CE1 4.3Å; Y80-F94 HydrophobicContact CE2-CD1 4.23Å; Y80-F94 HydrophobicContact CE2-CE1 4.31Å; Y80-E95 PolarHBondContact OH-OE1 3.41Å
81	G	48.1	Very low	44.7	Very low	20 Å²	20	78.8 Å²	78.8	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-62.3	-40.7	176.8	0	0	0	0	0	112.6	E77 R84 N85	E77-G81 PolarHBondContact O-N 3.49Å; G81-R84 PolarHBondContact O-N 2.97Å; G81-N85 VanDerWaalsContact O-CB 3.25Å; G81-N85 WeakPolarHBondContact O-CB 3.5Å; G81-N85 PolarHBondContact O-N 3.47Å; G81-N85 PolarHBondContact O-ND2 2.78Å; G81-N85 VanDerWaalsContact O-ND2 3.16Å
82	F	46.1	Very low	45.3	Very low	96 Å²	96	76.7 Å²	76.7	42%	0.421	42%	0.418	S	S	.	.	H	α-helix	trans	-69.9	-45.3	179.2	-169.8	-94.6	0	0	0	111.9	Y14 A78 E79 Y80 R84 N85 V86	Y14-F82 HydrophobicContact CD2-CD1 4.31Å; Y14-F82 HydrophobicContact CD2-CE1 4.38Å; A78-F82 WeakPolarHBondContact O-CB 3.36Å; A78-F82 PolarHBondContact O-N 3.32Å; E79-F82 PolarHBondContact O-N 3.28Å; Y80-F82 PolarHBondContact O-N 2.71Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.97Å; F82-N85 PolarHBondContact O-N 3Å; F82-V86 HydrophobicContact CD1-CG2 3.86Å; F82-V86 HydrophobicContact CD2-CG2 4.48Å; F82-V86 HydrophobicContact CE1-CG2 3.58Å; F82-V86 HydrophobicContact CE2-CG2 4.23Å; F82-V86 HydrophobicContact CG-CG2 4.31Å; F82-V86 HydrophobicContact CZ-CG2 3.78Å; F82-V86 WeakPolarHBondContact O-CB 3.33Å; F82-V86 VanDerWaalsContact O-CG2 3.26Å; F82-V86 WeakPolarHBondContact O-CG2 3.38Å; F82-V86 PolarHBondContact O-N 3.3Å
83	C	45.7	Very low	46.2	Very low	14 Å²	14	69.3 Å²	69.3	10%	0.095	38%	0.378	C	S	.	.	H	α-helix	trans	-60.5	-41.5	173.4	-60	0	0	0	0	110.9	C12 E79 N85 I87 L91	C12-C83 HydrophobicContact CB-CB 3.95Å; C12-C83 WeakPolarHBondContact CB-SG 3.24Å; C12-C83 WeakPolarHBondContact SG-CB 2.93Å; C12-C83 CovalentContact SG-SG 2.01Å; C12-C83 PolarHBondContact SG-SG 3.48Å; E79-C83 PolarHBondContact O-N 2.86Å; E79-C83 PolarHBondContact O-SG 2.95Å; C83-N85 PolarHBondContact O-N 3.39Å; C83-I87 VanDerWaalsContact O-CB 3.28Å; C83-I87 WeakPolarHBondContact O-CB 3.48Å; C83-I87 WeakPolarHBondContact O-CD1 3.2Å; C83-I87 WeakPolarHBondContact O-CG1 3.33Å; C83-I87 PolarHBondContact O-N 3.41Å; C83-L91 HydrophobicContact CB-CD1 4.4Å
84	R	52.9	Low	46.9	Very low	109 Å²	109	69.5 Å²	69.5	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-44.7	175.9	-170.8	-176.8	-114.1	-162.9	-2.5	112	Y80 G81 F82 K88 G89 L91 E95	Y80-R84 VanDerWaalsContact O-CB 3.26Å; Y80-R84 WeakPolarHBondContact O-CB 3.46Å; Y80-R84 PolarHBondContact O-N 2.03Å; Y80-R84 PolarHBondContact OH-NH2 2.69Å; G81-R84 PolarHBondContact O-N 2.97Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.97Å; R84-K88 PolarHBondContact O-N 2.79Å; R84-G89 PolarHBondContact O-N 2.85Å; R84-L91 VanDerWaalsContact CA-CD1 3.49Å; R84-L91 HydrophobicContact CB-CD1 3.67Å; R84-L91 HydrophobicContact CG-CD1 4.23Å; R84-E95 IonicContact NH2-OE1 3.8Å; R84-E95 PolarHBondContact NH2-OE1 2.9Å
85	N	49.6	Very low	48	Very low	126 Å²	126	67.5 Å²	67.5	67%	0.674	35%	0.351	S	S	*	.	H	α-helix	trans	-72.8	-38	-177.7	-70.5	-18.8	0	0	0	112.4	G81 F82 C83	G81-N85 VanDerWaalsContact O-CB 3.25Å; G81-N85 WeakPolarHBondContact O-CB 3.5Å; G81-N85 PolarHBondContact O-N 3.47Å; G81-N85 PolarHBondContact O-ND2 2.78Å; G81-N85 VanDerWaalsContact O-ND2 3.16Å; F82-N85 PolarHBondContact O-N 3Å; C83-N85 PolarHBondContact O-N 3.39Å
86	V	51.6	Low	49	Very low	71 Å²	71	66.6 Å²	66.6	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-72.9	-33.3	178.4	173.3	0	0	0	0	111.6	F82 K88	F82-V86 HydrophobicContact CD1-CG2 3.86Å; F82-V86 HydrophobicContact CD2-CG2 4.48Å; F82-V86 HydrophobicContact CE1-CG2 3.58Å; F82-V86 HydrophobicContact CE2-CG2 4.23Å; F82-V86 HydrophobicContact CG-CG2 4.31Å; F82-V86 HydrophobicContact CZ-CG2 3.78Å; F82-V86 WeakPolarHBondContact O-CB 3.33Å; F82-V86 VanDerWaalsContact O-CG2 3.26Å; F82-V86 WeakPolarHBondContact O-CG2 3.38Å; F82-V86 PolarHBondContact O-N 3.3Å; V86-K88 VanDerWaalsContact C-N 3.26Å; V86-K88 PolarHBondContact O-N 3.17Å
87	I	53	Low	49.5	Very low	34 Å²	34	62.6 Å²	62.6	17%	0.174	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	15.4	-179.7	-57.1	169.3	0	0	0	111.7	C83 G89 E90 L91	C83-I87 VanDerWaalsContact O-CB 3.28Å; C83-I87 WeakPolarHBondContact O-CB 3.48Å; C83-I87 WeakPolarHBondContact O-CD1 3.2Å; C83-I87 WeakPolarHBondContact O-CG1 3.33Å; C83-I87 PolarHBondContact O-N 3.41Å; I87-G89 PolarHBondContact O-N 2.91Å; I87-G89 VanDerWaalsContact O-N 3.16Å; I87-E90 HydrophobicContact CG2-CB 3.9Å; I87-E90 WeakPolarHBondContact CG2-O 2.9Å; I87-E90 PolarHBondContact O-N 3.43Å; I87-L91 HydrophobicContact CD1-CD2 4.11Å
88	K	50.3	Low	50	Low	191 Å²	191	57 Å²	57	83%	0.83	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	44	179.4	-67.3	-172.9	176.1	-178.6	0	113.4	R84 V86 E90	R84-K88 PolarHBondContact O-N 2.79Å; V86-K88 VanDerWaalsContact C-N 3.26Å; V86-K88 PolarHBondContact O-N 3.17Å; K88-E90 PolarHBondContact O-N 3.21Å
89	G	46.8	Very low	51	Low	56 Å²	56	60.9 Å²	60.9	58%	0.577	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-1.2	178.3	0	0	0	0	0	115.8	R84 I87 L91	R84-G89 PolarHBondContact O-N 2.85Å; I87-G89 PolarHBondContact O-N 2.91Å; I87-G89 VanDerWaalsContact O-N 3.16Å; G89-L91 PolarHBondContact O-N 2.99Å
90	E	47.9	Very low	51.6	Low	88 Å²	88	63.6 Å²	63.6	41%	0.411	32%	0.32	S	S	.	.			trans	-84.3	50	179.3	-59.3	-174.6	171.7	0	0	112.3	R52 I87 K88 A92	R52-E90 IonicContact NH1-OE2 2.72Å; R52-E90 PolarHBondContact NH1-OE2 2.72Å; I87-E90 HydrophobicContact CG2-CB 3.9Å; I87-E90 WeakPolarHBondContact CG2-O 2.9Å; I87-E90 PolarHBondContact O-N 3.43Å; K88-E90 PolarHBondContact O-N 3.21Å; E90-A92 VanDerWaalsContact C-N 3.26Å
91	L	52.5	Low	52	Low	8 Å²	8	60.6 Å²	60.6	4%	0.042	31%	0.309	C	S	.	.			trans	-89.9	16.4	169.4	-85.9	175.4	0	0	0	112.8	Y80 C83 R84 I87 G89 P93 F94 E95	Y80-L91 HydrophobicContact CE2-CD1 4.41Å; C83-L91 HydrophobicContact CB-CD1 4.4Å; R84-L91 VanDerWaalsContact CA-CD1 3.49Å; R84-L91 HydrophobicContact CB-CD1 3.67Å; R84-L91 HydrophobicContact CG-CD1 4.23Å; I87-L91 HydrophobicContact CD1-CD2 4.11Å; G89-L91 PolarHBondContact O-N 2.99Å; L91-P93 VanDerWaalsContact O-N 3.1Å; L91-F94 HydrophobicContact CB-CB 4.47Å; L91-F94 HydrophobicContact CD2-CB 3.81Å; L91-F94 HydrophobicContact CD2-CG 4.5Å; L91-F94 PolarHBondContact O-N 2.86Å; L91-E95 PolarHBondContact O-N 2.73Å
92	A	49.2	Very low	52.5	Low	32 Å²	32	64.9 Å²	64.9	26%	0.264	33%	0.327	S	S	.	.	H	α-helix	trans	-42.4	-43.1	171.4	0	0	0	0	0	112.8	E90 F94 E95 E96	E90-A92 VanDerWaalsContact C-N 3.26Å; A92-F94 VanDerWaalsContact C-N 3.33Å; A92-F94 PolarHBondContact O-N 2.92Å; A92-E95 PolarHBondContact O-N 2.9Å; A92-E96 WeakPolarHBondContact O-CB 3.44Å; A92-E96 VanDerWaalsContact O-CD 3.31Å; A92-E96 VanDerWaalsContact O-CG 3.23Å; A92-E96 WeakPolarHBondContact O-CG 3.24Å; A92-E96 PolarHBondContact O-N 2.73Å
93	P	51.6	Low	52.8	Low	2 Å²	2	61.1 Å²	61.1	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-31.8	178.7	-17.4	28.1	0	0	0	114.2	I46 D48 Y54 L91 A97	I46-P93 HydrophobicContact CG2-CB 4.33Å; D48-P93 HydrophobicContact CB-CG 4.06Å; Y54-P93 HydrophobicContact CD1-CB 4.23Å; Y54-P93 HydrophobicContact CD1-CG 3.75Å; Y54-P93 HydrophobicContact CD2-CB 3.63Å; Y54-P93 HydrophobicContact CD2-CG 3.15Å; Y54-P93 HydrophobicContact CE1-CG 3.82Å; Y54-P93 HydrophobicContact CE2-CB 4.23Å; Y54-P93 HydrophobicContact CE2-CG 3.26Å; Y54-P93 HydrophobicContact CG-CB 3.63Å; Y54-P93 HydrophobicContact CG-CG 3.42Å; Y54-P93 VanDerWaalsContact CG-CG 3.42Å; L91-P93 VanDerWaalsContact O-N 3.1Å; P93-A97 VanDerWaalsContact O-CB 3.32Å; P93-A97 WeakPolarHBondContact O-CB 3.39Å; P93-A97 PolarHBondContact O-N 3.03Å
94	F	51	Low	52.8	Low	29 Å²	29	63.8 Å²	63.8	13%	0.127	33%	0.326	C	S	.	.	H	α-helix	trans	-81.1	-38.6	-179.8	-168.5	-97.9	0	0	0	111.2	L7 N9 Y80 L91 A92 E96 A97 Q98	L7-F94 HydrophobicContact CB-CE2 3.59Å; L7-F94 HydrophobicContact CB-CZ 3.89Å; L7-F94 HydrophobicContact CD1-CE2 4.14Å; L7-F94 HydrophobicContact CD1-CZ 4.11Å; N9-F94 HydrophobicContact CB-CD2 4.47Å; Y80-F94 HydrophobicContact CD2-CE1 4.3Å; Y80-F94 HydrophobicContact CE2-CD1 4.23Å; Y80-F94 HydrophobicContact CE2-CE1 4.31Å; L91-F94 HydrophobicContact CB-CB 4.47Å; L91-F94 HydrophobicContact CD2-CB 3.81Å; L91-F94 HydrophobicContact CD2-CG 4.5Å; L91-F94 PolarHBondContact O-N 2.86Å; A92-F94 VanDerWaalsContact C-N 3.33Å; A92-F94 PolarHBondContact O-N 2.92Å; F94-E96 VanDerWaalsContact C-N 3.33Å; F94-A97 WeakPolarHBondContact O-CB 3.46Å; F94-A97 PolarHBondContact O-N 2.86Å; F94-Q98 HydrophobicContact CD1-CG 4.3Å; F94-Q98 HydrophobicContact CE1-CG 4.21Å; F94-Q98 VanDerWaalsContact CE1-NE2 3.26Å; F94-Q98 WeakPolarHBondContact O-CB 3.46Å; F94-Q98 VanDerWaalsContact O-CG 3.24Å; F94-Q98 WeakPolarHBondContact O-CG 3.39Å; F94-Q98 PolarHBondContact O-N 2.03Å
95	E	56.6	Low	51.9	Low	64 Å²	64	66 Å²	66	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-36.6	171.2	-75.1	-172.6	-174	0	0	111.6	Y80 R84 L91 A92 Q98 K99	Y80-E95 PolarHBondContact OH-OE1 3.41Å; R84-E95 IonicContact NH2-OE1 3.8Å; R84-E95 PolarHBondContact NH2-OE1 2.9Å; L91-E95 PolarHBondContact O-N 2.73Å; A92-E95 PolarHBondContact O-N 2.9Å; E95-Q98 WeakPolarHBondContact O-CB 3Å; E95-Q98 PolarHBondContact O-N 3.39Å; E95-K99 WeakPolarHBondContact O-CB 3.17Å; E95-K99 VanDerWaalsContact O-CG 3.26Å; E95-K99 WeakPolarHBondContact O-CG 3.02Å; E95-K99 PolarHBondContact O-N 3.04Å
96	E	57.6	Low	51	Low	49 Å²	49	66.3 Å²	66.3	23%	0.229	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-44.9	170.5	-78	158.1	-170.1	0	0	111.5	I46 A92 F94 Q98 K99 E100	I46-E96 HydrophobicContact CG2-CB 4.28Å; A92-E96 WeakPolarHBondContact O-CB 3.44Å; A92-E96 VanDerWaalsContact O-CD 3.31Å; A92-E96 VanDerWaalsContact O-CG 3.23Å; A92-E96 WeakPolarHBondContact O-CG 3.24Å; A92-E96 PolarHBondContact O-N 2.73Å; F94-E96 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 2.92Å; E96-K99 PolarHBondContact O-N 3.26Å; E96-K99 VanDerWaalsContact O-N 3.14Å; E96-E100 VanDerWaalsContact O-CB 3.27Å; E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 PolarHBondContact O-N 2.74Å
97	A	53.5	Low	50.4	Low	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-53.1	-45.7	170.7	0	0	0	0	0	111.2	I46 I56 P93 F94 E100 I101	I46-A97 HydrophobicContact CD1-CB 3.26Å; I56-A97 HydrophobicContact CD1-CB 3.47Å; I56-A97 VanDerWaalsContact CD1-CB 3.47Å; P93-A97 VanDerWaalsContact O-CB 3.32Å; P93-A97 WeakPolarHBondContact O-CB 3.39Å; P93-A97 PolarHBondContact O-N 3.03Å; F94-A97 WeakPolarHBondContact O-CB 3.46Å; F94-A97 PolarHBondContact O-N 2.86Å; A97-E100 PolarHBondContact O-N 3.28Å; A97-I101 WeakPolarHBondContact O-CB 3.46Å; A97-I101 VanDerWaalsContact O-CD1 3.3Å; A97-I101 WeakPolarHBondContact O-CD1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.4Å; A97-I101 PolarHBondContact O-N 3.08Å
98	Q	55.8	Low	49.7	Very low	18 Å²	18	69.1 Å²	69.1	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-40	-179.5	-76.1	179.9	-25	0	0	112.3	L7 F94 E95 E96 N102 F103	L7-Q98 HydrophobicContact CD1-CG 3.98Å; F94-Q98 HydrophobicContact CD1-CG 4.3Å; F94-Q98 HydrophobicContact CE1-CG 4.21Å; F94-Q98 VanDerWaalsContact CE1-NE2 3.26Å; F94-Q98 WeakPolarHBondContact O-CB 3.46Å; F94-Q98 VanDerWaalsContact O-CG 3.24Å; F94-Q98 WeakPolarHBondContact O-CG 3.39Å; F94-Q98 PolarHBondContact O-N 2.03Å; E95-Q98 WeakPolarHBondContact O-CB 3Å; E95-Q98 PolarHBondContact O-N 3.39Å; E96-Q98 PolarHBondContact O-N 2.92Å; Q98-N102 PolarHBondContact O-N 3.26Å; Q98-N102 VanDerWaalsContact O-N 3.15Å; Q98-F103 HydrophobicContact CB-CB 4.35Å; Q98-F103 HydrophobicContact CB-CD2 4.44Å; Q98-F103 HydrophobicContact CG-CD2 4.28Å; Q98-F103 PolarHBondContact O-N 3.21Å
99	K	62.6	Low	48.9	Very low	143 Å²	143	65.2 Å²	65.2	62%	0.622	34%	0.337	S	S	*	.	H	α-helix	trans	-66.2	-42.4	175.2	-75.6	170.2	-175.8	172.1	0	111.2	E95 E96 I101 N102	E95-K99 WeakPolarHBondContact O-CB 3.17Å; E95-K99 VanDerWaalsContact O-CG 3.26Å; E95-K99 WeakPolarHBondContact O-CG 3.02Å; E95-K99 PolarHBondContact O-N 3.04Å; E96-K99 PolarHBondContact O-N 3.26Å; E96-K99 VanDerWaalsContact O-N 3.14Å; K99-I101 VanDerWaalsContact C-N 3.31Å; K99-I101 PolarHBondContact O-N 2.79Å; K99-N102 WeakPolarHBondContact O-CA 3.26Å; K99-N102 PolarHBondContact O-N 3.26Å
100	E	55.7	Low	48.4	Very low	115 Å²	115	67.1 Å²	67.1	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-31.3	-179.1	-155.2	-172.8	169.5	0	0	112.1	K44 E96 A97 N102	K44-E100 WeakPolarHBondContact CE-OE2 2.81Å; K44-E100 IonicContact NZ-OE1 3.04Å; K44-E100 PolarHBondContact NZ-OE1 2.97Å; K44-E100 IonicContact NZ-OE2 2.81Å; K44-E100 PolarHBondContact NZ-OE2 3.34Å; E96-E100 VanDerWaalsContact O-CB 3.27Å; E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 PolarHBondContact O-N 2.74Å; A97-E100 PolarHBondContact O-N 3.28Å; E100-N102 VanDerWaalsContact C-N 3.29Å
101	I	54.7	Low	48.3	Very low	8 Å²	8	65 Å²	65	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	2	173.4	-53.7	160.9	0	0	0	111.5	L7 I58 A97 K99 F103	L7-I101 HydrophobicContact CD1-CD1 4.25Å; L7-I101 HydrophobicContact CD2-CD1 3.64Å; I58-I101 HydrophobicContact CD1-CD1 3.6Å; I58-I101 HydrophobicContact CD1-CG1 4.5Å; A97-I101 WeakPolarHBondContact O-CB 3.46Å; A97-I101 VanDerWaalsContact O-CD1 3.3Å; A97-I101 WeakPolarHBondContact O-CD1 3.26Å; A97-I101 WeakPolarHBondContact O-CG1 3.4Å; A97-I101 PolarHBondContact O-N 3.08Å; K99-I101 VanDerWaalsContact C-N 3.31Å; K99-I101 PolarHBondContact O-N 2.79Å; I101-F103 VanDerWaalsContact C-N 3.34Å; I101-F103 HydrophobicContact CB-CD2 3.85Å; I101-F103 HydrophobicContact CB-CE2 3.72Å; I101-F103 HydrophobicContact CB-CZ 4.47Å; I101-F103 HydrophobicContact CD1-CE2 3.97Å; I101-F103 HydrophobicContact CG1-CE2 4.47Å; I101-F103 HydrophobicContact CG2-CD2 3.87Å; I101-F103 HydrophobicContact CG2-CE1 4.34Å; I101-F103 HydrophobicContact CG2-CE2 3.34Å; I101-F103 HydrophobicContact CG2-CZ 3.62Å; I101-F103 PolarHBondContact O-N 3.41Å
102	N	57.4	Low	48.1	Very low	109 Å²	109	66.3 Å²	66.3	58%	0.583	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	34.6	180	-160.5	27.2	0	0	0	115.1	Q98 K99 E100 T104	Q98-N102 PolarHBondContact O-N 3.26Å; Q98-N102 VanDerWaalsContact O-N 3.15Å; K99-N102 WeakPolarHBondContact O-CA 3.26Å; K99-N102 PolarHBondContact O-N 3.26Å; E100-N102 VanDerWaalsContact C-N 3.29Å; N102-T104 PolarHBondContact O-N 3.49Å
103	F	52.9	Low	48	Very low	18 Å²	18	69.1 Å²	69.1	8%	0.079	34%	0.343	C	S	.	.			trans	-73	111.4	175.2	-74.8	-56	0	0	0	111.2	V5 L7 Q98 I101 R108 W112	V5-F103 HydrophobicContact CB-CZ 4.05Å; V5-F103 HydrophobicContact CG1-CZ 4.03Å; V5-F103 HydrophobicContact CG2-CZ 4.48Å; L7-F103 HydrophobicContact CD1-CD2 4.15Å; L7-F103 HydrophobicContact CD1-CE2 3.84Å; L7-F103 HydrophobicContact CD2-CE2 4.34Å; L7-F103 HydrophobicContact CG-CE2 4.19Å; Q98-F103 HydrophobicContact CB-CB 4.35Å; Q98-F103 HydrophobicContact CB-CD2 4.44Å; Q98-F103 HydrophobicContact CG-CD2 4.28Å; Q98-F103 PolarHBondContact O-N 3.21Å; I101-F103 VanDerWaalsContact C-N 3.34Å; I101-F103 HydrophobicContact CB-CD2 3.85Å; I101-F103 HydrophobicContact CB-CE2 3.72Å; I101-F103 HydrophobicContact CB-CZ 4.47Å; I101-F103 HydrophobicContact CD1-CE2 3.97Å; I101-F103 HydrophobicContact CG1-CE2 4.47Å; I101-F103 HydrophobicContact CG2-CD2 3.87Å; I101-F103 HydrophobicContact CG2-CE1 4.34Å; I101-F103 HydrophobicContact CG2-CE2 3.34Å; I101-F103 HydrophobicContact CG2-CZ 3.62Å; I101-F103 PolarHBondContact O-N 3.41Å; F103-R108 HydrophobicContact CB-CG 4.47Å; F103-R108 VanDerWaalsContact O-CZ 3.27Å; F103-R108 PolarHBondContact O-NE 2.87Å; F103-R108 PolarHBondContact O-NH2 3.4Å; F103-W112 HydrophobicContact CD1-CB 4.11Å; F103-W112 HydrophobicContact CD1-CD2 4.09Å; F103-W112 HydrophobicContact CD1-CE3 4.18Å; F103-W112 HydrophobicContact CD1-CG 4.01Å; F103-W112 HydrophobicContact CE1-CB 3.44Å; F103-W112 VanDerWaalsContact CE1-CB 3.44Å; F103-W112 AromaticContact CE1-CD2 3.52Å; F103-W112 HydrophobicContact CE1-CD2 3.52Å; F103-W112 AromaticContact CE1-CE3 3.31Å; F103-W112 HydrophobicContact CE1-CE3 3.31Å; F103-W112 AromaticContact CE1-CG 3.55Å; F103-W112 HydrophobicContact CE1-CG 3.55Å; F103-W112 HydrophobicContact CE1-CZ3 4.11Å; F103-W112 HydrophobicContact CZ-CB 4.38Å; F103-W112 AromaticContact CZ-CE3 3.95Å; F103-W112 HydrophobicContact CZ-CE3 3.95Å
104	T	45	Very low	47.8	Very low	69 Å²	69	69 Å²	69	42%	0.423	34%	0.342	S	S	.	.			trans	-76.4	143.1	173.1	59.6	0	0	0	0	111.7	N102 V106 Q107 R108	N102-T104 PolarHBondContact O-N 3.49Å; T104-V106 PolarHBondContact O-N 2.77Å; T104-Q107 WeakPolarHBondContact O-CB 3.39Å; T104-Q107 PolarHBondContact O-N 2.78Å; T104-Q107 WeakPolarHBondContact OG1-CG 2.98Å; T104-Q107 PolarHBondContact OG1-OE1 2.64Å; T104-R108 WeakPolarHBondContact O-CG 3.37Å
105	F	34.2	Very low	47.6	Very low	155 Å²	155	70.4 Å²	70.4	68%	0.68	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-53.9	-30.9	-172.3	-166.5	-97.8	0	0	0	114.3	Q107 R108	F105-Q107 VanDerWaalsContact C-N 3.33Å; F105-Q107 PolarHBondContact O-N 3.27Å; F105-R108 WeakPolarHBondContact O-CB 3.35Å; F105-R108 PolarHBondContact O-N 2.74Å
106	V	32.1	Very low	47.1	Very low	133 Å²	133	71.2 Å²	71.2	81%	0.806	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-73	-24.2	179.5	-175.4	0	0	0	0	112.7	T104	T104-V106 PolarHBondContact O-N 2.77Å
107	Q	38.2	Very low	46.8	Very low	79 Å²	79	74.4 Å²	74.4	37%	0.369	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-86.5	-6.1	176.7	-67.6	169.7	-26.3	0	0	112.8	T104 F105	T104-Q107 WeakPolarHBondContact O-CB 3.39Å; T104-Q107 PolarHBondContact O-N 2.78Å; T104-Q107 WeakPolarHBondContact OG1-CG 2.98Å; T104-Q107 PolarHBondContact OG1-OE1 2.64Å; F105-Q107 VanDerWaalsContact C-N 3.33Å; F105-Q107 PolarHBondContact O-N 3.27Å
108	R	38.9	Very low	46.9	Very low	86 Å²	86	77.9 Å²	77.9	33%	0.325	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.8	-166.2	-65.2	-177.3	-166.7	176.3	-1	115.9	F103 T104 F105	F103-R108 HydrophobicContact CB-CG 4.47Å; F103-R108 VanDerWaalsContact O-CZ 3.27Å; F103-R108 PolarHBondContact O-NE 2.87Å; F103-R108 PolarHBondContact O-NH2 3.4Å; T104-R108 WeakPolarHBondContact O-CG 3.37Å; F105-R108 WeakPolarHBondContact O-CB 3.35Å; F105-R108 PolarHBondContact O-N 2.74Å
109	L	32.3	Very low	46.6	Very low	109 Å²	109	77 Å²	77	57%	0.571	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13	-178.9	-69.7	166.5	0	0	0	113.1	E77	E77-L109 HydrophobicContact CG-CD2 4.39Å
110	T	37.3	Very low	46	Very low	96 Å²	96	75 Å²	75	59%	0.589	37%	0.374	S	S	*	.	S	Bend	trans	-130.9	145.7	-179.3	50.3	0	0	0	0	109.1	W112	T110-W112 PolarHBondContact O-N 2.79Å; T110-W112 VanDerWaalsContact O-N 3.15Å
111	T	46.1	Very low	46	Very low	42 Å²	42	74.9 Å²	74.9	26%	0.258	38%	0.381	S	S	.	.			trans	-40.6	121.4	173.2	41.8	0	0	0	0	111.3	N4 Q113	N4-T111 HydrophobicContact CB-CG2 4.02Å; N4-T111 VanDerWaalsContact OD1-CB 3.28Å; N4-T111 WeakPolarHBondContact OD1-CB 3.18Å; N4-T111 PolarHBondContact OD1-OG1 3.36Å; T111-Q113 PolarHBondContact O-N 2.75Å
112	W	46.9	Very low	45.8	Very low	37 Å²	37	78.9 Å²	78.9	14%	0.14	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.9	177.1	-169.5	62.1	0	0	0	109.3	N4 V5 F103 T110 M114	N4-W112 VanDerWaalsContact CA-O 3.27Å; N4-W112 WeakPolarHBondContact CA-O 3.25Å; V5-W112 HydrophobicContact CG2-CE3 3.82Å; V5-W112 PolarHBondContact N-O 3.16Å; F103-W112 HydrophobicContact CD1-CB 4.11Å; F103-W112 HydrophobicContact CD1-CD2 4.09Å; F103-W112 HydrophobicContact CD1-CE3 4.18Å; F103-W112 HydrophobicContact CD1-CG 4.01Å; F103-W112 HydrophobicContact CE1-CB 3.44Å; F103-W112 VanDerWaalsContact CE1-CB 3.44Å; F103-W112 AromaticContact CE1-CD2 3.52Å; F103-W112 HydrophobicContact CE1-CD2 3.52Å; F103-W112 AromaticContact CE1-CE3 3.31Å; F103-W112 HydrophobicContact CE1-CE3 3.31Å; F103-W112 AromaticContact CE1-CG 3.55Å; F103-W112 HydrophobicContact CE1-CG 3.55Å; F103-W112 HydrophobicContact CE1-CZ3 4.11Å; F103-W112 HydrophobicContact CZ-CB 4.38Å; F103-W112 AromaticContact CZ-CE3 3.95Å; F103-W112 HydrophobicContact CZ-CE3 3.95Å; T110-W112 PolarHBondContact O-N 2.79Å; T110-W112 VanDerWaalsContact O-N 3.15Å; W112-M114 HydrophobicContact CD2-CG 3.91Å; W112-M114 HydrophobicContact CE3-CB 4.43Å; W112-M114 HydrophobicContact CE3-CE 4.41Å; W112-M114 HydrophobicContact CE3-CG 3.05Å; W112-M114 HydrophobicContact CE3-SD 3.62Å; W112-M114 HydrophobicContact CH2-CE 3.69Å; W112-M114 HydrophobicContact CH2-CG 3.52Å; W112-M114 HydrophobicContact CH2-SD 4.01Å; W112-M114 HydrophobicContact CZ2-CG 4.23Å; W112-M114 HydrophobicContact CZ3-CB 4.32Å; W112-M114 HydrophobicContact CZ3-CE 3.39Å; W112-M114 HydrophobicContact CZ3-CG 2.93Å; W112-M114 HydrophobicContact CZ3-SD 3.16Å; W112-M114 WeakPolarHBondContact CZ3-SD 3.26Å
113	Q	47.7	Very low	45.4	Very low	90 Å²	90	75.5 Å²	75.5	42%	0.421	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.2	-178.5	-73.4	-175.2	-30.1	0	0	109.1	K2 L3 T111	K2-Q113 HydrophobicContact CB-CB 3.92Å; K2-Q113 HydrophobicContact CB-CG 4.13Å; K2-Q113 HydrophobicContact CD-CB 3.98Å; K2-Q113 HydrophobicContact CD-CG 4.32Å; K2-Q113 VanDerWaalsContact CD-OE1 3.26Å; K2-Q113 HydrophobicContact CG-CB 3.96Å; L3-Q113 VanDerWaalsContact O-CA 3.31Å; L3-Q113 WeakPolarHBondContact O-CA 3.48Å; T111-Q113 PolarHBondContact O-N 2.75Å
114	M	46.2	Very low	44.8	Very low	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.4	171.2	-65.1	-172.2	79.7	0	0	111.3	K2 L3 V5 W112 E118 V119 H122 F123	K2-M114 CarbonylContact C-O 3.41Å; K2-M114 VanDerWaalsContact CA-O 3.31Å; K2-M114 WeakPolarHBondContact CA-O 3.43Å; L3-M114 HydrophobicContact CB-CB 4.49Å; L3-M114 PolarHBondContact N-O 2.93Å; L3-M114 PolarHBondContact O-N 3.14Å; V5-M114 HydrophobicContact CG2-CG 3.72Å; V5-M114 HydrophobicContact CG2-SD 3.6Å; V5-M114 VanDerWaalsContact CG2-SD 3.6Å; W112-M114 HydrophobicContact CD2-CG 3.91Å; W112-M114 HydrophobicContact CE3-CB 4.43Å; W112-M114 HydrophobicContact CE3-CE 4.41Å; W112-M114 HydrophobicContact CE3-CG 3.05Å; W112-M114 HydrophobicContact CE3-SD 3.62Å; W112-M114 HydrophobicContact CH2-CE 3.69Å; W112-M114 HydrophobicContact CH2-CG 3.52Å; W112-M114 HydrophobicContact CH2-SD 4.01Å; W112-M114 HydrophobicContact CZ2-CG 4.23Å; W112-M114 HydrophobicContact CZ3-CB 4.32Å; W112-M114 HydrophobicContact CZ3-CE 3.39Å; W112-M114 HydrophobicContact CZ3-CG 2.93Å; W112-M114 HydrophobicContact CZ3-SD 3.16Å; W112-M114 WeakPolarHBondContact CZ3-SD 3.26Å; M114-E118 VanDerWaalsContact CE-C 3.5Å; M114-E118 HydrophobicContact CE-CB 3.8Å; M114-E118 WeakPolarHBondContact CE-O 3.38Å; M114-V119 HydrophobicContact CB-CG2 3.66Å; M114-V119 HydrophobicContact CE-CB 4.45Å; M114-V119 HydrophobicContact CE-CG2 3.85Å; M114-V119 HydrophobicContact CG-CG2 4.29Å; M114-V119 HydrophobicContact SD-CG2 3.73Å; M114-H122 HydrophobicContact CE-CB 4.35Å; M114-F123 HydrophobicContact CE-CD2 4.49Å; M114-F123 HydrophobicContact CE-CE2 3.58Å; M114-F123 HydrophobicContact CE-CZ 4.07Å; M114-F123 HydrophobicContact SD-CE2 3.62Å; M114-F123 HydrophobicContact SD-CZ 4.01Å
115	T	47.6	Very low	44.5	Very low	58 Å²	58	80.2 Å²	80.2	36%	0.356	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	155.6	157.9	65	0	0	0	0	110.2	E117 E118 V119	T115-E117 PolarHBondContact O-N 2.69Å; T115-E118 WeakPolarHBondContact CB-OE2 3.09Å; T115-E118 PolarHBondContact N-OE2 2.86Å; T115-E118 PolarHBondContact O-N 3.26Å; T115-E118 WeakPolarHBondContact OG1-CB 3.06Å; T115-E118 VanDerWaalsContact OG1-CD 3.23Å; T115-E118 WeakPolarHBondContact OG1-CG 3.22Å; T115-E118 PolarHBondContact OG1-N 3.13Å; T115-E118 PolarHBondContact OG1-OE2 2.91Å; T115-V119 PolarHBondContact O-N 3.42Å; T115-V119 VanDerWaalsContact O-N 3.12Å
116	F	46.8	Very low	44.5	Very low	82 Å²	82	82 Å²	82	36%	0.36	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-36.8	176.4	-173.2	-91.2	0	0	0	112.1	V119 K120 L128 I130	F116-V119 WeakPolarHBondContact O-CB 3.36Å; F116-V119 PolarHBondContact O-N 3.27Å; F116-K120 PolarHBondContact O-N 2.8Å; F116-L128 HydrophobicContact CD2-CD2 4.07Å; F116-L128 HydrophobicContact CE2-CD2 3.44Å; F116-L128 VanDerWaalsContact CE2-CD2 3.44Å; F116-L128 HydrophobicContact CZ-CD2 3.97Å; F116-I130 HydrophobicContact CD2-CD1 4.37Å; F116-I130 HydrophobicContact CE2-CD1 4.08Å
117	E	51.1	Low	44.4	Very low	116 Å²	116	80.5 Å²	80.5	54%	0.542	41%	0.409	S	S	.	.	H	α-helix	trans	-63.1	-44.5	175.2	-68.7	-54.9	142	0	0	111.8	T115 V119 K120 T121	T115-E117 PolarHBondContact O-N 2.69Å; E117-V119 VanDerWaalsContact C-N 3.28Å; E117-V119 PolarHBondContact O-N 3.48Å; E117-K120 PolarHBondContact O-N 2.86Å; E117-K120 VanDerWaalsContact O-N 3.15Å; E117-T121 WeakPolarHBondContact O-CB 3.32Å; E117-T121 PolarHBondContact O-N 3.02Å; E117-T121 PolarHBondContact O-OG1 3.5Å
118	E	55.3	Low	44	Very low	73 Å²	73	78.8 Å²	78.8	34%	0.341	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-37.2	175.3	-73.4	162.3	147.8	0	0	112.1	M114 T115 H122	M114-E118 VanDerWaalsContact CE-C 3.5Å; M114-E118 HydrophobicContact CE-CB 3.8Å; M114-E118 WeakPolarHBondContact CE-O 3.38Å; T115-E118 WeakPolarHBondContact CB-OE2 3.09Å; T115-E118 PolarHBondContact N-OE2 2.86Å; T115-E118 PolarHBondContact O-N 3.26Å; T115-E118 WeakPolarHBondContact OG1-CB 3.06Å; T115-E118 VanDerWaalsContact OG1-CD 3.23Å; T115-E118 WeakPolarHBondContact OG1-CG 3.22Å; T115-E118 PolarHBondContact OG1-N 3.13Å; T115-E118 PolarHBondContact OG1-OE2 2.91Å; E118-H122 VanDerWaalsContact O-CB 3.3Å; E118-H122 WeakPolarHBondContact O-CB 3.45Å; E118-H122 PolarHBondContact O-CD2 3.4Å; E118-H122 PolarHBondContact O-N 3.16Å
119	V	50.4	Low	43.5	Very low	0 Å²	0	80.5 Å²	80.5	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-64.1	-46.8	175	172.2	0	0	0	0	110.3	L3 M114 T115 F116 E117 T121 H122 F123 L128	L3-V119 HydrophobicContact CD1-CG2 3.74Å; M114-V119 HydrophobicContact CB-CG2 3.66Å; M114-V119 HydrophobicContact CE-CB 4.45Å; M114-V119 HydrophobicContact CE-CG2 3.85Å; M114-V119 HydrophobicContact CG-CG2 4.29Å; M114-V119 HydrophobicContact SD-CG2 3.73Å; T115-V119 PolarHBondContact O-N 3.42Å; T115-V119 VanDerWaalsContact O-N 3.12Å; F116-V119 WeakPolarHBondContact O-CB 3.36Å; F116-V119 PolarHBondContact O-N 3.27Å; E117-V119 VanDerWaalsContact C-N 3.28Å; E117-V119 PolarHBondContact O-N 3.48Å; V119-T121 PolarHBondContact O-N 3.35Å; V119-H122 PolarHBondContact O-N 2.79Å; V119-F123 HydrophobicContact CB-CD2 4.07Å; V119-F123 HydrophobicContact CB-CE2 4.35Å; V119-F123 HydrophobicContact CG1-CD2 3.65Å; V119-F123 HydrophobicContact CG1-CE2 4.22Å; V119-F123 HydrophobicContact CG2-CD2 4.46Å; V119-F123 HydrophobicContact CG2-CE2 4.27Å; V119-F123 WeakPolarHBondContact O-CB 3.39Å; V119-F123 WeakPolarHBondContact O-CD2 3.41Å; V119-F123 PolarHBondContact O-N 3.3Å; V119-L128 HydrophobicContact CG1-CD1 3.75Å; V119-L128 HydrophobicContact CG1-CD2 3.88Å
120	K	49.4	Very low	43.3	Very low	99 Å²	99	76.8 Å²	76.8	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-64.6	-40.3	179.5	-167.5	178.8	178.5	-174.6	0	111.9	F116 E117 G124	F116-K120 PolarHBondContact O-N 2.8Å; E117-K120 PolarHBondContact O-N 2.86Å; E117-K120 VanDerWaalsContact O-N 3.15Å; K120-G124 WeakPolarHBondContact O-CA 3.49Å; K120-G124 PolarHBondContact O-N 3.02Å; K120-G124 VanDerWaalsContact O-N 3.1Å
121	T	54.9	Low	42.7	Very low	113 Å²	113	79.2 Å²	79.2	69%	0.693	41%	0.412	S	S	*	.	H	α-helix	trans	-66.5	-45.6	176.1	-55.3	0	0	0	0	111.9	E117 V119	E117-T121 WeakPolarHBondContact O-CB 3.32Å; E117-T121 PolarHBondContact O-N 3.02Å; E117-T121 PolarHBondContact O-OG1 3.5Å; V119-T121 PolarHBondContact O-N 3.35Å
122	H	50.5	Low	41.9	Very low	92 Å²	92	78.6 Å²	78.6	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-79.7	-31.5	-176	-82.5	-60.8	0	0	0	114.3	M114 E118 V119	M114-H122 HydrophobicContact CE-CB 4.35Å; E118-H122 VanDerWaalsContact O-CB 3.3Å; E118-H122 WeakPolarHBondContact O-CB 3.45Å; E118-H122 PolarHBondContact O-CD2 3.4Å; E118-H122 PolarHBondContact O-N 3.16Å; V119-H122 PolarHBondContact O-N 2.79Å
123	F	50.4	Low	40.9	Very low	38 Å²	38	77.3 Å²	77.3	17%	0.167	41%	0.408	C	S	.	.	H	α-helix	trans	-112.1	1.3	-171.7	-49.5	-60.7	0	0	0	114	Y42 M114 V119	Y42-F123 AromaticContact CE1-CD1 3.93Å; Y42-F123 HydrophobicContact CE1-CD1 3.93Å; Y42-F123 HydrophobicContact CE1-CE1 4.07Å; Y42-F123 HydrophobicContact CE1-CG 4.36Å; Y42-F123 AromaticContact CZ-CD1 3.79Å; Y42-F123 AromaticContact CZ-CE1 3.86Å; Y42-F123 WeakPolarHBondContact OH-CD1 3.34Å; Y42-F123 WeakPolarHBondContact OH-CE1 3.47Å; M114-F123 HydrophobicContact CE-CD2 4.49Å; M114-F123 HydrophobicContact CE-CE2 3.58Å; M114-F123 HydrophobicContact CE-CZ 4.07Å; M114-F123 HydrophobicContact SD-CE2 3.62Å; M114-F123 HydrophobicContact SD-CZ 4.01Å; V119-F123 HydrophobicContact CB-CD2 4.07Å; V119-F123 HydrophobicContact CB-CE2 4.35Å; V119-F123 HydrophobicContact CG1-CD2 3.65Å; V119-F123 HydrophobicContact CG1-CE2 4.22Å; V119-F123 HydrophobicContact CG2-CD2 4.46Å; V119-F123 HydrophobicContact CG2-CE2 4.27Å; V119-F123 WeakPolarHBondContact O-CB 3.39Å; V119-F123 WeakPolarHBondContact O-CD2 3.41Å; V119-F123 PolarHBondContact O-N 3.3Å
124	G	40.6	Very low	39.9	Very low	35 Å²	35	77.4 Å²	77.4	36%	0.361	41%	0.407	S	S	.	.			trans	74.8	-177.6	172.8	0	0	0	0	0	114.5	K120 R126	K120-G124 WeakPolarHBondContact O-CA 3.49Å; K120-G124 PolarHBondContact O-N 3.02Å; K120-G124 VanDerWaalsContact O-N 3.1Å; G124-R126 PolarHBondContact O-N 3.15Å
125	N	37.6	Very low	39	Very low	152 Å²	152	80 Å²	80	81%	0.813	43%	0.425	S	S	*	.	S	Bend	trans	-70.4	19.2	179.9	-107.7	3.9	0	0	0	114	S127	N125-S127 PolarHBondContact O-N 2.01Å
126	R	35.1	Very low	38.1	Very low	192 Å²	192	82.6 Å²	82.6	73%	0.725	43%	0.429	S	S	*	.	S	Bend	trans	-58.9	118.1	170	-67.9	-170.3	179.2	-154.8	-0.5	106.1	G124 L128	G124-R126 PolarHBondContact O-N 3.15Å; R126-L128 PolarHBondContact O-N 3.25Å
127	S	29.8	Very low	37.2	Very low	101 Å²	101	83.1 Å²	83.1	71%	0.706	44%	0.435	S	S	*	.			trans	-51.3	98.7	-170.6	51	0	0	0	0	110.2	N125 T129	N125-S127 PolarHBondContact O-N 2.01Å; S127-T129 PolarHBondContact O-N 3.4Å
128	L	28.6	Very low	36.1	Very low	44 Å²	44	88 Å²	88	23%	0.23	45%	0.449	C	S	.	.			trans	-79	66.8	174.3	-135.5	100.4	0	0	0	106.8	F40 F116 V119 R126 I130	F40-L128 HydrophobicContact CE1-CD1 3.65Å; F40-L128 HydrophobicContact CE1-CD2 4.38Å; F40-L128 HydrophobicContact CE1-CG 3.92Å; F40-L128 HydrophobicContact CZ-CD1 3.49Å; F40-L128 VanDerWaalsContact CZ-CD1 3.49Å; F40-L128 HydrophobicContact CZ-CG 3.75Å; F116-L128 HydrophobicContact CD2-CD2 4.07Å; F116-L128 HydrophobicContact CE2-CD2 3.44Å; F116-L128 VanDerWaalsContact CE2-CD2 3.44Å; F116-L128 HydrophobicContact CZ-CD2 3.97Å; V119-L128 HydrophobicContact CG1-CD1 3.75Å; V119-L128 HydrophobicContact CG1-CD2 3.88Å; R126-L128 PolarHBondContact O-N 3.25Å; L128-I130 HydrophobicContact CD2-CD1 3.44Å; L128-I130 VanDerWaalsContact CD2-CD1 3.44Å; L128-I130 HydrophobicContact CD2-CG1 3.6Å; L128-I130 HydrophobicContact CG-CD1 4.29Å; L128-I130 HydrophobicContact CG-CG1 3.91Å; L128-I130 PolarHBondContact O-N 3Å
129	T	28	Very low	35	Very low	122 Å²	122	89 Å²	89	75%	0.748	46%	0.456	S	S	*	.			trans	-74.5	76.5	159	37	0	0	0	0	106.3	S127 D131	S127-T129 PolarHBondContact O-N 3.4Å; T129-D131 VanDerWaalsContact C-N 3.33Å; T129-D131 PolarHBondContact O-N 3.07Å; T129-D131 VanDerWaalsContact O-N 3.09Å
130	I	28.2	Very low	34.2	Very low	31 Å²	31	97.9 Å²	97.9	16%	0.159	50%	0.498	C	S	.	.			trans	-67.9	104.9	160.6	-51.6	-179.8	0	0	0	104.1	L3 F116 L128 S132	L3-I130 HydrophobicContact CD1-CD1 4.43Å; F116-I130 HydrophobicContact CD2-CD1 4.37Å; F116-I130 HydrophobicContact CE2-CD1 4.08Å; L128-I130 HydrophobicContact CD2-CD1 3.44Å; L128-I130 VanDerWaalsContact CD2-CD1 3.44Å; L128-I130 HydrophobicContact CD2-CG1 3.6Å; L128-I130 HydrophobicContact CG-CD1 4.29Å; L128-I130 HydrophobicContact CG-CG1 3.91Å; L128-I130 PolarHBondContact O-N 3Å; I130-S132 PolarHBondContact O-N 3.24Å
131	D	26.6	Very low	33.4	Very low	147 Å²	147	100.6 Å²	100.6	79%	0.786	51%	0.512	S	S	*	.			trans	-71.6	66.3	161.8	-164.9	5.8	0	0	0	107.8	T129 G133	T129-D131 VanDerWaalsContact C-N 3.33Å; T129-D131 PolarHBondContact O-N 3.07Å; T129-D131 VanDerWaalsContact O-N 3.09Å; D131-G133 PolarHBondContact O-N 2.76Å
132	S	28.9	Very low	32.4	Very low	28 Å²	28	101.1 Å²	101.1	20%	0.196	52%	0.517	C	S	.	.	S	Bend	trans	-79.5	6.2	175	53	0	0	0	0	111.4	I130 F134	I130-S132 PolarHBondContact O-N 3.24Å; S132-F134 WeakPolarHBondContact O-CD2 3.29Å; S132-F134 WeakPolarHBondContact O-CE2 3.16Å; S132-F134 PolarHBondContact O-N 2.62Å; S132-F134 WeakPolarHBondContact OG-CD2 3.35Å
133	G	26	Very low	31.9	Very low	11 Å²	11	102.2 Å²	102.2	11%	0.113	52%	0.523	C	S	.	.	S	Bend	trans	57.2	24.7	-166.1	0	0	0	0	0	112.7	D131 N161 W162	D131-G133 PolarHBondContact O-N 2.76Å; G133-N161 VanDerWaalsContact O-O 3.04Å; G133-W162 WeakPolarHBondContact O-CA 3.31Å
134	F	26.7	Very low	31.2	Very low	92 Å²	92	106.3 Å²	106.3	40%	0.404	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	110.7	177.7	-60.4	-63.1	0	0	0	110	M1 S132 Y136 V160 N161	M1-F134 HydrophobicContact CE-CD2 3.65Å; M1-F134 HydrophobicContact CE-CE2 3.68Å; S132-F134 WeakPolarHBondContact O-CD2 3.29Å; S132-F134 WeakPolarHBondContact O-CE2 3.16Å; S132-F134 PolarHBondContact O-N 2.62Å; S132-F134 WeakPolarHBondContact OG-CD2 3.35Å; F134-Y136 HydrophobicContact CB-CE1 3.86Å; F134-Y136 HydrophobicContact CB-CE2 4.1Å; F134-Y136 WeakPolarHBondContact CB-OH 3.5Å; F134-Y136 HydrophobicContact CG-CE1 4.39Å; F134-V160 HydrophobicContact CD1-CG1 3.52Å; F134-V160 HydrophobicContact CE1-CG1 3.99Å; F134-N161 WeakPolarHBondContact CA-O 3.25Å
135	S	27.5	Very low	30.9	Very low	53 Å²	53	112 Å²	112	37%	0.371	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	122.4	160	125.3	0	0	0	0	107.7	N161	S135-N161 PolarHBondContact N-O 3.27Å; S135-N161 PolarHBondContact O-N 3.44Å; S135-N161 VanDerWaalsContact O-N 3.16Å; S135-N161 WeakPolarHBondContact OG-CB 3.22Å; S135-N161 PolarHBondContact OG-ND2 2.75Å
136	Y	28.7	Very low	30.9	Very low	113 Å²	113	112.2 Å²	112.2	44%	0.443	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	129.5	170.6	-43.6	-74.9	0	0	0	108.2	M1 F134	M1-Y136 PolarHBondContact SD-OH 3.11Å; M1-Y136 VanDerWaalsContact SD-OH 3.36Å; F134-Y136 HydrophobicContact CB-CE1 3.86Å; F134-Y136 HydrophobicContact CB-CE2 4.1Å; F134-Y136 WeakPolarHBondContact CB-OH 3.5Å; F134-Y136 HydrophobicContact CG-CE1 4.39Å
137	I	26.8	Very low	30.7	Very low	93 Å²	93	110.7 Å²	110.7	48%	0.477	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	122.8	165.6	-59.2	174.1	0	0	0	105.7
138	W	28.9	Very low	30.9	Very low	219 Å²	219	112.1 Å²	112.1	83%	0.83	56%	0.559	S	S	*	*			trans	-81	111.1	170	-62.5	86.1	0	0	0	107.2
139	D	31	Very low	31.3	Very low	95 Å²	95	117.9 Å²	117.9	51%	0.508	59%	0.59	S	S	.	*			trans	-87.2	110.9	162.2	-96.5	-22.3	0	0	0	107.2	E141	D139-E141 PolarHBondContact O-N 3.25Å
140	E	34.3	Very low	31.8	Very low	186 Å²	186	116 Å²	116	87%	0.869	60%	0.596	S	S	*	*			trans	-78.4	16.5	177.9	-71.1	-175.2	161.3	0	0	113.5	P142	E140-P142 WeakPolarHBondContact O-CD 3.26Å
141	E	33	Very low	31.9	Very low	155 Å²	155	118.9 Å²	118.9	72%	0.724	61%	0.608	S	S	*	*			trans	-90.1	111.1	-177.6	-74.3	-167.7	170.5	0	0	112.8	D139 H143	D139-E141 PolarHBondContact O-N 3.25Å; E141-H143 PolarHBondContact O-N 2.66Å
142	P	33.6	Very low	32	Very low	125 Å²	125	118.4 Å²	118.4	81%	0.812	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-68.7	131.1	175.3	27.6	-31.9	0	0	0	110.8	E140	E140-P142 WeakPolarHBondContact O-CD 3.26Å
143	H	39.8	Very low	32.1	Very low	115 Å²	115	122.5 Å²	122.5	53%	0.532	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-92.3	152.5	174	-84.7	4.6	0	0	0	112	E141	E141-H143 PolarHBondContact O-N 2.66Å
144	P	36.5	Very low	32.4	Very low	123 Å²	123	129.4 Å²	129.4	80%	0.799	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-63.1	136.9	-168.3	-17	29.4	0	0	0	113.2	E146	P144-E146 PolarHBondContact O-N 3Å
145	E	34.3	Very low	32.5	Very low	156 Å²	156	130.7 Å²	130.7	73%	0.729	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-58.3	121.4	-176.5	-63.1	164.3	-171.2	0	0	112.8
146	E	36.3	Very low	32.6	Very low	155 Å²	155	136.1 Å²	136.1	72%	0.724	68%	0.681	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.2	111.8	166.3	-84.9	-170.1	175.1	0	0	110.2	P144	P144-E146 PolarHBondContact O-N 3Å
147	M	30.6	Very low	32.5	Very low	160 Å²	160	139.3 Å²	139.3	79%	0.788	69%	0.692	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.6	120.8	167.3	-76.8	-160.5	170.5	0	0	110.7
148	R	34.6	Very low	32.5	Very low	131 Å²	131	141 Å²	141	49%	0.494	70%	0.701	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.3	123.7	163.5	-108.4	-174.1	176.9	-171.6	5.3	110.1	G150 Q151 Y153	R148-G150 PolarHBondContact O-N 2.98Å; R148-Q151 PolarHBondContact O-N 3.21Å; R148-Y153 HydrophobicContact CB-CE2 4.36Å
149	N	36.6	Very low	32.4	Very low	165 Å²	165	133.7 Å²	133.7	88%	0.882	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.8	42	177.8	-65.4	-7.9	0	0	0	115.1	Q151	N149-Q151 PolarHBondContact O-N 3.32Å
150	G	39.5	Very low	32.2	Very low	84 Å²	84	132.5 Å²	132.5	87%	0.866	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.7	14.1	177.3	0	0	0	0	0	114.5	R148	R148-G150 PolarHBondContact O-N 2.98Å
151	Q	29.2	Very low	31.8	Very low	91 Å²	91	127.1 Å²	127.1	43%	0.425	65%	0.65	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	130	171.9	-81	-176.4	-17.4	0	0	109.9	R148 N149 Y153	R148-Q151 PolarHBondContact O-N 3.21Å; N149-Q151 PolarHBondContact O-N 3.32Å; Q151-Y153 HydrophobicContact CB-CE2 3.87Å; Q151-Y153 VanDerWaalsContact O-CD2 3.25Å; Q151-Y153 WeakPolarHBondContact O-CD2 3.5Å; Q151-Y153 WeakPolarHBondContact O-CE2 3.39Å; Q151-Y153 PolarHBondContact OE1-OH 3.42Å
152	E	30.1	Very low	31.6	Very low	137 Å²	137	127.3 Å²	127.3	64%	0.64	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.8	129.9	171	-126.8	168.9	-173.4	0	0	109.3
153	Y	30.7	Very low	31.4	Very low	113 Å²	113	123.7 Å²	123.7	44%	0.443	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	113.1	175.2	-70.8	-90.5	0	0	0	109.8	R148 Q151	R148-Y153 HydrophobicContact CB-CE2 4.36Å; Q151-Y153 HydrophobicContact CB-CE2 3.87Å; Q151-Y153 VanDerWaalsContact O-CD2 3.25Å; Q151-Y153 WeakPolarHBondContact O-CD2 3.5Å; Q151-Y153 WeakPolarHBondContact O-CE2 3.39Å; Q151-Y153 PolarHBondContact OE1-OH 3.42Å
154	H	32.4	Very low	31	Very low	157 Å²	157	121 Å²	121	73%	0.727	61%	0.613	S	S	*	*			trans	-90.5	121.7	166.3	-68.6	-60	0	0	0	109.4
155	C	28.9	Very low	30.6	Very low	118 Å²	118	120.1 Å²	120.1	80%	0.797	61%	0.61	S	S	*	*			trans	-107.7	108.1	170.1	-72.3	0	0	0	0	108.9
156	E	28.3	Very low	30.5	Very low	168 Å²	168	122.2 Å²	122.2	79%	0.785	62%	0.616	S	S	*	*			trans	-83.6	137.2	170.7	-75.5	178.4	165.2	0	0	110.7
157	R	27.5	Very low	30	Very low	180 Å²	180	119 Å²	119	68%	0.679	62%	0.617	S	S	*	*			trans	-91.1	116.3	173.7	-137.6	-174.3	-147	166.9	10.1	108.2
158	I	27.6	Very low	29.7	Very low	129 Å²	129	119.3 Å²	119.3	66%	0.662	62%	0.621	S	S	*	*			trans	-103.3	114.7	174.5	-56.4	176.4	0	0	0	108.4	V160	I158-V160 HydrophobicContact CG2-CG2 3.91Å
159	I	26.5	Very low	29.3	Very low	64 Å²	64	115.9 Å²	115.9	33%	0.328	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.3	122.2	171	-58.2	174.4	0	0	0	107.7
160	V	26.8	Very low	28.7	Very low	71 Å²	71	115 Å²	115	43%	0.43	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	110.1	177.3	-171	0	0	0	0	108.4	F134 I158	F134-V160 HydrophobicContact CD1-CG1 3.52Å; F134-V160 HydrophobicContact CE1-CG1 3.99Å; I158-V160 HydrophobicContact CG2-CG2 3.91Å
161	N	25.2	Very low	28	Very low	73 Å²	73	120.3 Å²	120.3	39%	0.39	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.2	132.8	170.4	-77.8	-26.6	0	0	0	110	G133 F134 S135	G133-N161 VanDerWaalsContact O-O 3.04Å; F134-N161 WeakPolarHBondContact CA-O 3.25Å; S135-N161 PolarHBondContact N-O 3.27Å; S135-N161 PolarHBondContact O-N 3.44Å; S135-N161 VanDerWaalsContact O-N 3.16Å; S135-N161 WeakPolarHBondContact OG-CB 3.22Å; S135-N161 PolarHBondContact OG-ND2 2.75Å
162	W	28.7	Very low	27.8	Very low	159 Å²	159	123.7 Å²	123.7	60%	0.602	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.2	143.2	-177.5	174.7	66.7	0	0	0	111.9	G133 P164 T229	G133-W162 WeakPolarHBondContact O-CA 3.31Å; W162-P164 HydrophobicContact CD2-CB 4.48Å; W162-P164 HydrophobicContact CD2-CG 4.2Å; W162-P164 HydrophobicContact CE3-CG 4.2Å; W162-P164 HydrophobicContact CH2-CB 3.92Å; W162-P164 HydrophobicContact CH2-CG 3.37Å; W162-P164 HydrophobicContact CZ2-CB 3.29Å; W162-P164 HydrophobicContact CZ2-CG 3.31Å; W162-P164 HydrophobicContact CZ3-CG 3.8Å; W162-T229 HydrophobicContact CE3-CG2 4.43Å
163	T	28.7	Very low	27.6	Very low	49 Å²	49	125.1 Å²	125.1	30%	0.301	65%	0.651	S	S	.	*			trans	-140.6	114.2	164.7	38.3	0	0	0	0	109.4	A227	T163-A227 WeakPolarHBondContact CG2-O 3.28Å
164	P	31.7	Very low	27.2	Very low	58 Å²	58	123.8 Å²	123.8	38%	0.377	66%	0.657	S	S	.	*			trans	-93.1	141.8	179.3	35.6	-34.2	0	0	0	112.8	W162	W162-P164 HydrophobicContact CD2-CB 4.48Å; W162-P164 HydrophobicContact CD2-CG 4.2Å; W162-P164 HydrophobicContact CE3-CG 4.2Å; W162-P164 HydrophobicContact CH2-CB 3.92Å; W162-P164 HydrophobicContact CH2-CG 3.37Å; W162-P164 HydrophobicContact CZ2-CB 3.29Å; W162-P164 HydrophobicContact CZ2-CG 3.31Å; W162-P164 HydrophobicContact CZ3-CG 3.8Å
165	S	29	Very low	26.8	Very low	105 Å²	105	122.8 Å²	122.8	73%	0.734	66%	0.656	S	S	*	*			trans	-109.7	122.3	152.3	72.3	0	0	0	0	109.5
166	K	30.7	Very low	26.6	Very low	200 Å²	200	122.9 Å²	122.9	87%	0.87	65%	0.645	S	S	*	*	S	Bend	trans	77.1	101.7	169.1	-60.8	179.7	179.1	173.3	0	119.4
167	A	26.5	Very low	26.4	Very low	88 Å²	88	117.2 Å²	117.2	73%	0.727	63%	0.626	S	S	*	*			trans	70.1	117.3	140.1	0	0	0	0	0	121.2
168	D	25	Very low	26.3	Very low	166 Å²	166	115.5 Å²	115.5	89%	0.888	62%	0.621	S	S	*	*			trans	55	95.2	146.5	-55.2	-24.6	0	0	0	119.8
169	G	25.9	Very low	26.3	Very low	59 Å²	59	118.5 Å²	118.5	61%	0.608	63%	0.632	S	S	*	*			trans	174.7	117.5	159.4	0	0	0	0	0	113.8	F171	G169-F171 PolarHBondContact O-N 2.83Å
170	V	23.8	Very low	26.3	Very low	145 Å²	145	122.2 Å²	122.2	88%	0.879	65%	0.653	S	S	*	*			trans	-64.4	115.1	160.9	175.6	0	0	0	0	107.1
171	F	25.6	Very low	26.5	Very low	196 Å²	196	119.3 Å²	119.3	86%	0.86	64%	0.637	S	S	*	*			trans	-104	103.3	162.6	-84.7	-86.7	0	0	0	108.9	G169 M173	G169-F171 PolarHBondContact O-N 2.83Å; F171-M173 PolarHBondContact O-N 2.73Å
172	E	23.7	Very low	26.8	Very low	163 Å²	163	117.7 Å²	117.7	76%	0.762	63%	0.63	S	S	*	*			trans	-62	109	147.9	-79	-176.7	146.6	0	0	106.9	C174	E172-C174 PolarHBondContact O-N 3.46Å
173	M	26	Very low	27	Very low	167 Å²	167	119.4 Å²	119.4	82%	0.823	64%	0.637	S	S	*	*			trans	-76.7	82.4	152	59.2	166.1	69.6	0	0	107.5	F171 I175	F171-M173 PolarHBondContact O-N 2.73Å; M173-I175 PolarHBondContact O-N 3.47Å
174	C	23.1	Very low	27.4	Very low	85 Å²	85	121.7 Å²	121.7	57%	0.574	64%	0.643	S	S	*	*			trans	-60.3	119.8	142.1	-75.8	0	0	0	0	105.1	E172 E176	E172-C174 PolarHBondContact O-N 3.46Å; C174-E176 PolarHBondContact O-N 3.07Å
175	I	24	Very low	27.4	Very low	135 Å²	135	125.8 Å²	125.8	69%	0.692	67%	0.67	S	S	*	*			trans	-55.1	102.8	146.3	-62.7	172.4	0	0	0	102.8	M173 A177 T182	M173-I175 PolarHBondContact O-N 3.47Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.18Å; I175-T182 HydrophobicContact CG2-CG2 3.57Å
176	E	24.3	Very low	27.7	Very low	121 Å²	121	126.4 Å²	126.4	57%	0.565	67%	0.665	S	S	*	*			trans	-55.6	99.8	-179.3	-84.8	-174.5	166.1	0	0	107.2	C174 Y178	C174-E176 PolarHBondContact O-N 3.07Å; E176-Y178 VanDerWaalsContact C-N 3.28Å; E176-Y178 HydrophobicContact CB-CE2 4.21Å; E176-Y178 PolarHBondContact O-N 2.71Å; E176-Y178 VanDerWaalsContact O-N 3.1Å; E176-Y178 VanDerWaalsContact OE2-CZ 3.24Å; E176-Y178 PolarHBondContact OE2-OH 3.16Å
177	A	24.1	Very low	27.6	Very low	49 Å²	49	119.6 Å²	119.6	41%	0.405	65%	0.652	S	S	.	*			trans	-78.3	91.6	166.9	0	0	0	0	0	105.1	I175 L192	I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.18Å; A177-L192 HydrophobicContact CB-CD1 3.83Å; A177-L192 HydrophobicContact CB-CD2 3.84Å; A177-L192 HydrophobicContact CB-CG 4.05Å
178	Y	26.2	Very low	28	Very low	143 Å²	143	120.9 Å²	120.9	56%	0.561	64%	0.641	S	S	*	*			trans	-54.1	148.2	166.8	-63.5	-78.4	0	0	0	108.7	E176 N180 G181	E176-Y178 VanDerWaalsContact C-N 3.28Å; E176-Y178 HydrophobicContact CB-CE2 4.21Å; E176-Y178 PolarHBondContact O-N 2.71Å; E176-Y178 VanDerWaalsContact O-N 3.1Å; E176-Y178 VanDerWaalsContact OE2-CZ 3.24Å; E176-Y178 PolarHBondContact OE2-OH 3.16Å; Y178-N180 PolarHBondContact O-N 2.86Å; Y178-G181 PolarHBondContact O-N 3.28Å
179	E	26.3	Very low	28.3	Very low	193 Å²	193	118.2 Å²	118.2	90%	0.902	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-15.1	169.7	-91.3	-176.3	141.3	0	0	112.8
180	N	27.2	Very low	28.8	Very low	142 Å²	142	118.7 Å²	118.7	76%	0.759	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	13.8	179.2	-67.4	-17.3	0	0	0	116.3	Y178	Y178-N180 PolarHBondContact O-N 2.86Å
181	G	31.6	Very low	29.2	Very low	9 Å²	9	115.8 Å²	115.8	9%	0.093	60%	0.596	C	S	.	*			trans	96	167.2	172.1	0	0	0	0	0	115.7	Y178 I190	Y178-G181 PolarHBondContact O-N 3.28Å; G181-I190 WeakPolarHBondContact CA-O 3.5Å
182	T	31.1	Very low	29.5	Very low	39 Å²	39	110.5 Å²	110.5	24%	0.239	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.5	135.4	-171.2	-30.8	0	0	0	0	111.5	I175	I175-T182 HydrophobicContact CG2-CG2 3.57Å
183	Y	32.4	Very low	30.1	Very low	195 Å²	195	113.1 Å²	113.1	77%	0.765	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.4	121.7	173.6	-108.1	-94.8	0	0	0	110.5
184	F	36.3	Very low	30.9	Very low	98 Å²	98	108.8 Å²	108.8	43%	0.43	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-96.5	155	166	-73.2	-85.6	0	0	0	111.1	N186 G187 I190	F184-N186 WeakPolarHBondContact CB-OD1 3.07Å; F184-N186 PolarHBondContact O-N 3.42Å; F184-G187 PolarHBondContact O-N 3.03Å; F184-I190 HydrophobicContact CE2-CB 4.49Å; F184-I190 HydrophobicContact CE2-CD1 4.13Å; F184-I190 HydrophobicContact CE2-CG1 4.37Å
185	P	31.6	Very low	31.6	Very low	144 Å²	144	107.1 Å²	107.1	94%	0.935	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-9.2	179.9	-21.9	32.4	0	0	0	115.1
186	N	36.1	Very low	32.1	Very low	118 Å²	118	111.2 Å²	111.2	63%	0.631	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	13.2	178.5	53.8	6.9	0	0	0	113.5	F184 K188	F184-N186 WeakPolarHBondContact CB-OD1 3.07Å; F184-N186 PolarHBondContact O-N 3.42Å; N186-K188 VanDerWaalsContact C-N 3.27Å; N186-K188 PolarHBondContact O-N 3.16Å
187	G	28.4	Very low	32.9	Very low	57 Å²	57	110.5 Å²	110.5	59%	0.588	56%	0.561	S	S	*	*	S	Bend	trans	72.4	8.1	171.2	0	0	0	0	0	116	F184	F184-G187 PolarHBondContact O-N 3.03Å
188	K	34.5	Very low	33.5	Very low	114 Å²	114	110.4 Å²	110.4	50%	0.496	56%	0.557	S	S	.	*			trans	-87.8	132	173.2	-88.9	-177.8	174.9	177.8	0	111.3	N186	N186-K188 VanDerWaalsContact C-N 3.27Å; N186-K188 PolarHBondContact O-N 3.16Å
189	I	32.8	Very low	33.9	Very low	110 Å²	110	108.9 Å²	108.9	56%	0.564	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.9	125.8	173.1	-59.2	171.6	0	0	0	108.3
190	I	36	Very low	34.3	Very low	69 Å²	69	108.3 Å²	108.3	35%	0.354	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.4	126	171.3	-57.2	-179	0	0	0	109	G181 F184	G181-I190 WeakPolarHBondContact CA-O 3.5Å; F184-I190 HydrophobicContact CE2-CB 4.49Å; F184-I190 HydrophobicContact CE2-CD1 4.13Å; F184-I190 HydrophobicContact CE2-CG1 4.37Å
191	T	32.6	Very low	34.5	Very low	84 Å²	84	106.2 Å²	106.2	52%	0.515	55%	0.547	S	S	.	.			trans	-78.7	147	-177.2	55.2	0	0	0	0	113.3	R193 T194	T191-R193 PolarHBondContact O-N 3.48Å; T191-T194 PolarHBondContact O-N 3.42Å; T191-T194 PolarHBondContact O-OG1 2.94Å
192	L	31.3	Very low	34.5	Very low	86 Å²	86	115 Å²	115	45%	0.45	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-56.5	-17.9	178.2	-88.9	159.7	0	0	0	115.9	A177 T194 A195	A177-L192 HydrophobicContact CB-CD1 3.83Å; A177-L192 HydrophobicContact CB-CD2 3.84Å; A177-L192 HydrophobicContact CB-CG 4.05Å; L192-T194 PolarHBondContact O-N 3.49Å; L192-A195 PolarHBondContact O-N 2.87Å
193	R	36	Very low	34.5	Very low	217 Å²	217	120.6 Å²	120.6	82%	0.819	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-61.9	-27.8	175.6	-84.9	-175.4	-179.4	-174.1	0.8	113	T191	T191-R193 PolarHBondContact O-N 3.48Å
194	T	43.5	Very low	34.4	Very low	77 Å²	77	117.5 Å²	117.5	47%	0.472	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-79.6	-17.8	-177.8	-4.3	0	0	0	0	113.4	T191 L192 R196	T191-T194 PolarHBondContact O-N 3.42Å; T191-T194 PolarHBondContact O-OG1 2.94Å; L192-T194 PolarHBondContact O-N 3.49Å; T194-R196 VanDerWaalsContact C-N 3.35Å; T194-R196 PolarHBondContact O-N 3.25Å
195	A	37	Very low	34.2	Very low	49 Å²	49	119.3 Å²	119.3	41%	0.405	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-77.1	-14.6	-179	0	0	0	0	0	114.4	L192 N197 C198	L192-A195 PolarHBondContact O-N 2.87Å; A195-N197 PolarHBondContact O-N 3.21Å; A195-C198 PolarHBondContact O-N 2.97Å
196	R	35.6	Very low	34.1	Very low	221 Å²	221	117 Å²	117	83%	0.834	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-66.6	-17.9	176	-72.1	-173.4	-169.8	-172.2	2.9	113.7	T194	T194-R196 VanDerWaalsContact C-N 3.35Å; T194-R196 PolarHBondContact O-N 3.25Å
197	N	40.5	Very low	33.7	Very low	107 Å²	107	115.5 Å²	115.5	57%	0.572	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-100	17.7	-176.3	-69.1	-12.9	0	0	0	113.8	A195	A195-N197 PolarHBondContact O-N 3.21Å
198	C	36.8	Very low	33.7	Very low	47 Å²	47	118.8 Å²	118.8	32%	0.318	60%	0.597	S	S	.	*			trans	-119.3	95.3	-179.7	-71.7	0	0	0	0	111.5	A195 K200 L201	A195-C198 PolarHBondContact O-N 2.97Å; C198-K200 VanDerWaalsContact C-N 3.3Å; C198-K200 PolarHBondContact O-N 3.26Å; C198-L201 HydrophobicContact CB-CB 4.31Å; C198-L201 HydrophobicContact CB-CD1 4.22Å; C198-L201 PolarHBondContact O-N 3.02Å
199	P	33.7	Very low	33.6	Very low	110 Å²	110	123.8 Å²	123.8	71%	0.714	61%	0.612	S	S	*	*	H	α-helix	trans	-62.5	-28.6	-173.2	-22.2	31.8	0	0	0	115
200	K	35.7	Very low	33.6	Very low	182 Å²	182	124.7 Å²	124.7	79%	0.791	63%	0.625	S	S	*	*	H	α-helix	trans	-78.2	-31.2	-179.5	-77.3	-178.7	177.7	173.4	0	113.4	C198 K203 I204	C198-K200 VanDerWaalsContact C-N 3.3Å; C198-K200 PolarHBondContact O-N 3.26Å; K200-K203 PolarHBondContact O-N 2.89Å; K200-I204 WeakPolarHBondContact O-CG1 3.22Å
201	L	31.3	Very low	33.6	Very low	97 Å²	97	127.6 Å²	127.6	51%	0.508	64%	0.641	S	S	.	*	H	α-helix	trans	-69.8	-38.1	175.3	-102.9	101.6	0	0	0	112	C198 K203 I204 I205	C198-L201 HydrophobicContact CB-CB 4.31Å; C198-L201 HydrophobicContact CB-CD1 4.22Å; C198-L201 PolarHBondContact O-N 3.02Å; L201-K203 PolarHBondContact O-N 2.73Å; L201-I204 PolarHBondContact O-N 3.06Å; L201-I205 WeakPolarHBondContact O-CG1 3.26Å; L201-I205 PolarHBondContact O-N 3.07Å
202	R	30.6	Very low	33.8	Very low	193 Å²	193	126 Å²	126	73%	0.728	63%	0.633	S	S	*	*	H	α-helix	trans	-61.3	-34.2	177.2	-160.7	176.4	-173.9	-169.6	0.9	112.2	T206	R202-T206 WeakPolarHBondContact O-CG2 3.39Å; R202-T206 PolarHBondContact O-N 3.37Å; R202-T206 PolarHBondContact O-OG1 2.94Å
203	K	31.2	Very low	34.1	Very low	157 Å²	157	126 Å²	126	68%	0.683	64%	0.636	S	S	*	*	H	α-helix	trans	-75.2	-24.8	-179	-153.7	175.8	-174.2	179.6	0	113.5	K200 L201 T207	K200-K203 PolarHBondContact O-N 2.89Å; L201-K203 PolarHBondContact O-N 2.73Å; K203-T207 WeakPolarHBondContact O-CG2 2.75Å; K203-T207 PolarHBondContact O-OG1 3.28Å
204	I	31.6	Very low	34.4	Very low	130 Å²	130	116 Å²	116	67%	0.667	60%	0.599	S	S	*	*	H	α-helix	trans	-79.7	-37.9	176.9	-65.6	166.8	0	0	0	110.5	K200 L201	K200-I204 WeakPolarHBondContact O-CG1 3.22Å; L201-I204 PolarHBondContact O-N 3.06Å
205	I	30.6	Very low	34.2	Very low	136 Å²	136	116.4 Å²	116.4	70%	0.697	60%	0.596	S	S	*	*	H	α-helix	trans	-74.9	-25.5	-178.1	-62.7	166.3	0	0	0	112.1	L201	L201-I205 WeakPolarHBondContact O-CG1 3.26Å; L201-I205 PolarHBondContact O-N 3.07Å
206	T	30.8	Very low	34.4	Very low	95 Å²	95	116 Å²	116	58%	0.583	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	11.3	-171.1	64	0	0	0	0	115.5	R202 P208	R202-T206 WeakPolarHBondContact O-CG2 3.39Å; R202-T206 PolarHBondContact O-N 3.37Å; R202-T206 PolarHBondContact O-OG1 2.94Å; T206-P208 VanDerWaalsContact O-CD 3.29Å; T206-P208 WeakPolarHBondContact O-CD 3.46Å
207	T	28.1	Very low	34.7	Very low	88 Å²	88	111.8 Å²	111.8	54%	0.54	57%	0.569	S	S	.	*			trans	-104.7	104	177.4	45.7	0	0	0	0	112.1	K203 R209	K203-T207 WeakPolarHBondContact O-CG2 2.75Å; K203-T207 PolarHBondContact O-OG1 3.28Å; T207-R209 PolarHBondContact O-N 2.79Å; T207-R209 VanDerWaalsContact O-N 3.12Å
208	P	27.7	Very low	34.7	Very low	126 Å²	126	108.2 Å²	108.2	82%	0.818	55%	0.551	S	S	*	*			trans	-79	93	170.7	32	-29.7	0	0	0	108.1	T206	T206-P208 VanDerWaalsContact O-CD 3.29Å; T206-P208 WeakPolarHBondContact O-CD 3.46Å
209	R	31.7	Very low	34.8	Very low	219 Å²	219	111.2 Å²	111.2	83%	0.826	56%	0.559	S	S	*	*			trans	-128.6	123.9	162.3	-75.5	-168.2	-177.5	-177.8	1.4	108.5	T207 L211	T207-R209 PolarHBondContact O-N 2.79Å; T207-R209 VanDerWaalsContact O-N 3.12Å; R209-L211 PolarHBondContact O-N 3.15Å; R209-L211 VanDerWaalsContact O-N 3.12Å
210	P	34.2	Very low	34.9	Very low	129 Å²	129	110.4 Å²	110.4	84%	0.838	54%	0.544	S	S	*	.			trans	-65.5	116.8	176	27.7	-30.6	0	0	0	107.7	S212	P210-S212 PolarHBondContact O-N 3.27Å
211	L	34.9	Very low	34.8	Very low	130 Å²	130	107.3 Å²	107.3	68%	0.681	54%	0.543	S	S	*	.			trans	-71	111.9	166.6	-73.9	163.5	0	0	0	106.6	R209 L231	R209-L211 PolarHBondContact O-N 3.15Å; R209-L211 VanDerWaalsContact O-N 3.12Å; L211-L231 HydrophobicContact CB-CD2 4.15Å; L211-L231 HydrophobicContact CD2-CD2 4.09Å
212	S	37.7	Very low	34.8	Very low	49 Å²	49	105.9 Å²	105.9	34%	0.343	55%	0.552	S	S	.	*			trans	-75.2	125.9	174.3	49.1	0	0	0	0	109.7	P210 C232	P210-S212 PolarHBondContact O-N 3.27Å; S212-C232 VanDerWaalsContact C-SG 3.52Å; S212-C232 PolarHBondContact O-N 2.02Å; S212-C232 PolarHBondContact O-SG 3.18Å; S212-C232 VanDerWaalsContact O-SG 3.42Å
213	V	38.1	Very low	35.1	Very low	87 Å²	87	101.5 Å²	101.5	53%	0.527	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.4	-179.4	-177.6	0	0	0	0	108.4	T229	V213-T229 HydrophobicContact CG1-CG2 3.02Å
214	C	40.4	Very low	35.1	Very low	6 Å²	6	99.1 Å²	99.1	4%	0.041	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.8	-178.3	-78.4	0	0	0	0	109.2	T229 V230 C232 F241	C214-T229 WeakPolarHBondContact O-CA 3.2Å; C214-V230 HydrophobicContact CB-CG2 4.14Å; C214-V230 PolarHBondContact N-O 2.96Å; C214-V230 PolarHBondContact O-N 2.91Å; C214-C232 HydrophobicContact CB-CB 4.2Å; C214-C232 WeakPolarHBondContact CB-SG 3.47Å; C214-C232 PolarHBondContact N-SG 3.31Å; C214-C232 VanDerWaalsContact N-SG 3.37Å; C214-C232 VanDerWaalsContact SG-CA 3.56Å; C214-C232 WeakPolarHBondContact SG-CB 2.83Å; C214-C232 CovalentContact SG-SG 2.05Å; C214-C232 PolarHBondContact SG-SG 3.38Å; C214-F241 HydrophobicContact CB-CB 4.2Å; C214-F241 HydrophobicContact CB-CD2 4.09Å; C214-F241 HydrophobicContact CB-CG 4.18Å
215	E	40	Very low	35.3	Very low	87 Å²	87	97.9 Å²	97.9	41%	0.407	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	-177.2	-175.5	-178.7	-162.9	0	0	111.5	K228 F241	E215-K228 CarbonylContact C-O 3.54Å; E215-K228 VanDerWaalsContact CA-O 3.31Å; E215-K228 WeakPolarHBondContact CA-O 3.45Å; E215-F241 WeakPolarHBondContact O-CD1 3.08Å; E215-F241 WeakPolarHBondContact O-CE1 2.96Å
216	Y	41.7	Very low	35.6	Very low	39 Å²	39	94.3 Å²	94.3	15%	0.153	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156	179.2	70.3	-88.5	0	0	0	113.4	V218 A227 K228 V230 L239 F241	Y216-V218 HydrophobicContact CD2-CG2 3.98Å; Y216-V218 HydrophobicContact CE2-CG2 3.7Å; Y216-A227 CarbonylContact O-C 3.23Å; Y216-A227 WeakPolarHBondContact O-CA 3.39Å; Y216-K228 HydrophobicContact CD1-CB 3.72Å; Y216-K228 VanDerWaalsContact CD1-O 3.24Å; Y216-K228 WeakPolarHBondContact CD1-O 3.33Å; Y216-K228 HydrophobicContact CD2-CB 4Å; Y216-K228 HydrophobicContact CE1-CB 3.35Å; Y216-K228 HydrophobicContact CE1-CD 4.3Å; Y216-K228 HydrophobicContact CE1-CG 4.46Å; Y216-K228 HydrophobicContact CE2-CB 3.65Å; Y216-K228 HydrophobicContact CE2-CD 3.59Å; Y216-K228 HydrophobicContact CE2-CG 4.09Å; Y216-K228 HydrophobicContact CG-CB 4.02Å; Y216-K228 VanDerWaalsContact CZ-CD 3.42Å; Y216-K228 PolarHBondContact N-O 3.14Å; Y216-K228 PolarHBondContact O-N 3.14Å; Y216-K228 WeakPolarHBondContact OH-CD 3.43Å; Y216-V230 HydrophobicContact CD1-CG2 4.33Å; Y216-V230 HydrophobicContact CE1-CG1 3.82Å; Y216-V230 HydrophobicContact CE1-CG2 4.22Å; Y216-L239 HydrophobicContact CD1-CD1 4.43Å; Y216-L239 HydrophobicContact CD2-CD1 4.06Å; Y216-L239 HydrophobicContact CE2-CD1 4.23Å; Y216-L239 HydrophobicContact CG-CD1 4.16Å; Y216-F241 HydrophobicContact CD1-CE2 4.47Å; Y216-F241 HydrophobicContact CG-CE2 4.38Å; Y216-F241 HydrophobicContact CG-CZ 4.2Å
217	Y	42.2	Very low	36	Very low	134 Å²	134	91 Å²	91	53%	0.525	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.5	-178.3	-63.2	-91.9	0	0	0	111.4	I225 A227	Y217-I225 HydrophobicContact CD1-CG2 3.92Å; Y217-A227 HydrophobicContact CD1-CB 4.28Å; Y217-A227 HydrophobicContact CE1-CB 4.09Å
218	V	40.2	Very low	36.7	Very low	31 Å²	31	91.1 Å²	91.1	19%	0.188	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.2	176.8	-177.3	0	0	0	0	109.4	Y216 K220 I225 V226 K228	Y216-V218 HydrophobicContact CD2-CG2 3.98Å; Y216-V218 HydrophobicContact CE2-CG2 3.7Å; V218-K220 HydrophobicContact CG1-CG 4.38Å; V218-I225 WeakPolarHBondContact O-CA 3.2Å; V218-V226 HydrophobicContact CB-CB 4.5Å; V218-V226 PolarHBondContact N-O 2.87Å; V218-V226 PolarHBondContact O-N 2.85Å; V218-K228 HydrophobicContact CG2-CD 3.82Å; V218-K228 HydrophobicContact CG2-CG 4.16Å
219	F	37.7	Very low	37.3	Very low	110 Å²	110	86.7 Å²	86.7	48%	0.482	46%	0.464	S	S	.	.			trans	-109.1	124.7	175	-62.3	-95.2	0	0	0	109.4	I225	F219-I225 HydrophobicContact CD1-CD1 3.98Å; F219-I225 HydrophobicContact CD1-CG1 3.72Å; F219-I225 HydrophobicContact CD1-CG2 4.42Å; F219-I225 HydrophobicContact CE1-CD1 3.43Å; F219-I225 VanDerWaalsContact CE1-CD1 3.43Å; F219-I225 HydrophobicContact CE1-CG1 3.66Å; F219-I225 HydrophobicContact CE1-CG2 4.07Å; F219-I225 HydrophobicContact CZ-CD1 4.3Å; F219-I225 HydrophobicContact CZ-CG2 4.18Å
220	K	36.8	Very low	38	Very low	94 Å²	94	77.7 Å²	77.7	41%	0.409	43%	0.434	S	S	.	.			trans	-133.7	128.7	171.2	-75.7	171.2	172.1	-173	0	108.5	V218 G222 E223	V218-K220 HydrophobicContact CG1-CG 4.38Å; K220-G222 PolarHBondContact O-N 3.06Å; K220-E223 HydrophobicContact CB-CB 3.99Å; K220-E223 HydrophobicContact CB-CG 4.23Å; K220-E223 HydrophobicContact CD-CG 4.29Å; K220-E223 WeakPolarHBondContact CD-OE1 3.36Å; K220-E223 WeakPolarHBondContact CD-OE2 3.01Å; K220-E223 VanDerWaalsContact NZ-CD 3.28Å; K220-E223 IonicContact NZ-OE1 3Å; K220-E223 PolarHBondContact NZ-OE1 2.65Å; K220-E223 IonicContact NZ-OE2 3.41Å; K220-E223 PolarHBondContact NZ-OE2 3.19Å; K220-E223 PolarHBondContact O-N 2.93Å
221	P	32.4	Very low	38.6	Very low	117 Å²	117	74.3 Å²	74.3	76%	0.76	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	124.8	176.9	-24.1	33.6	0	0	0	111.3
222	G	31.9	Very low	39.2	Very low	67 Å²	67	68.7 Å²	68.7	69%	0.691	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-0.5	-178.7	0	0	0	0	0	115.7	K220	K220-G222 PolarHBondContact O-N 3.06Å
223	E	37.8	Very low	39.7	Very low	100 Å²	100	74 Å²	74	47%	0.467	40%	0.396	S	S	.	.	S	Bend	trans	-115.3	150.5	171.4	-63.7	-177.1	-155	0	0	110.5	K220	K220-E223 HydrophobicContact CB-CB 3.99Å; K220-E223 HydrophobicContact CB-CG 4.23Å; K220-E223 HydrophobicContact CD-CG 4.29Å; K220-E223 WeakPolarHBondContact CD-OE1 3.36Å; K220-E223 WeakPolarHBondContact CD-OE2 3.01Å; K220-E223 VanDerWaalsContact NZ-CD 3.28Å; K220-E223 IonicContact NZ-OE1 3Å; K220-E223 PolarHBondContact NZ-OE1 2.65Å; K220-E223 IonicContact NZ-OE2 3.41Å; K220-E223 PolarHBondContact NZ-OE2 3.19Å; K220-E223 PolarHBondContact O-N 2.93Å
224	P	30.8	Very low	40.3	Very low	107 Å²	107	74.5 Å²	74.5	70%	0.695	40%	0.396	S	S	*	.			trans	-61.3	150	171	23.8	-31.2	0	0	0	111.5	V226	P224-V226 WeakPolarHBondContact O-CG2 3.46Å; P224-V226 PolarHBondContact O-N 2.85Å
225	I	36.1	Very low	40.7	Very low	104 Å²	104	78.1 Å²	78.1	53%	0.533	41%	0.409	S	S	.	.			trans	-64.6	123.4	174.9	-58.6	166.7	0	0	0	108.2	Y217 V218 F219	Y217-I225 HydrophobicContact CD1-CG2 3.92Å; V218-I225 WeakPolarHBondContact O-CA 3.2Å; F219-I225 HydrophobicContact CD1-CD1 3.98Å; F219-I225 HydrophobicContact CD1-CG1 3.72Å; F219-I225 HydrophobicContact CD1-CG2 4.42Å; F219-I225 HydrophobicContact CE1-CD1 3.43Å; F219-I225 VanDerWaalsContact CE1-CD1 3.43Å; F219-I225 HydrophobicContact CE1-CG1 3.66Å; F219-I225 HydrophobicContact CE1-CG2 4.07Å; F219-I225 HydrophobicContact CZ-CD1 4.3Å; F219-I225 HydrophobicContact CZ-CG2 4.18Å
226	V	36.9	Very low	41	Very low	61 Å²	61	76 Å²	76	37%	0.37	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.5	-179.1	-175.9	0	0	0	0	109.7	V218 P224 K228	V218-V226 HydrophobicContact CB-CB 4.5Å; V218-V226 PolarHBondContact N-O 2.87Å; V218-V226 PolarHBondContact O-N 2.85Å; P224-V226 WeakPolarHBondContact O-CG2 3.46Å; P224-V226 PolarHBondContact O-N 2.85Å; V226-K228 HydrophobicContact CG1-CG 4.21Å
227	A	38.2	Very low	41.1	Very low	27 Å²	27	84.1 Å²	84.1	22%	0.223	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.8	165.8	0	0	0	0	0	109.2	T163 Y216 Y217	T163-A227 WeakPolarHBondContact CG2-O 3.28Å; Y216-A227 CarbonylContact O-C 3.23Å; Y216-A227 WeakPolarHBondContact O-CA 3.39Å; Y217-A227 HydrophobicContact CD1-CB 4.28Å; Y217-A227 HydrophobicContact CE1-CB 4.09Å
228	K	42.4	Very low	41	Very low	89 Å²	89	84.1 Å²	84.1	39%	0.387	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.7	179.4	-73.8	-165.7	175.4	-174.5	0	110.1	E215 Y216 V218 V226	E215-K228 CarbonylContact C-O 3.54Å; E215-K228 VanDerWaalsContact CA-O 3.31Å; E215-K228 WeakPolarHBondContact CA-O 3.45Å; Y216-K228 HydrophobicContact CD1-CB 3.72Å; Y216-K228 VanDerWaalsContact CD1-O 3.24Å; Y216-K228 WeakPolarHBondContact CD1-O 3.33Å; Y216-K228 HydrophobicContact CD2-CB 4Å; Y216-K228 HydrophobicContact CE1-CB 3.35Å; Y216-K228 HydrophobicContact CE1-CD 4.3Å; Y216-K228 HydrophobicContact CE1-CG 4.46Å; Y216-K228 HydrophobicContact CE2-CB 3.65Å; Y216-K228 HydrophobicContact CE2-CD 3.59Å; Y216-K228 HydrophobicContact CE2-CG 4.09Å; Y216-K228 HydrophobicContact CG-CB 4.02Å; Y216-K228 VanDerWaalsContact CZ-CD 3.42Å; Y216-K228 PolarHBondContact N-O 3.14Å; Y216-K228 PolarHBondContact O-N 3.14Å; Y216-K228 WeakPolarHBondContact OH-CD 3.43Å; V218-K228 HydrophobicContact CG2-CD 3.82Å; V218-K228 HydrophobicContact CG2-CG 4.16Å; V226-K228 HydrophobicContact CG1-CG 4.21Å
229	T	41.2	Very low	40.7	Very low	34 Å²	34	83.9 Å²	83.9	21%	0.209	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.3	-173.2	-47.4	0	0	0	0	109.2	W162 V213 C214	W162-T229 HydrophobicContact CE3-CG2 4.43Å; V213-T229 HydrophobicContact CG1-CG2 3.02Å; C214-T229 WeakPolarHBondContact O-CA 3.2Å
230	V	46.2	Very low	40.5	Very low	30 Å²	30	84.7 Å²	84.7	18%	0.182	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152	179.5	-71.2	0	0	0	0	110.6	C214 Y216 C232 R235	C214-V230 HydrophobicContact CB-CG2 4.14Å; C214-V230 PolarHBondContact N-O 2.96Å; C214-V230 PolarHBondContact O-N 2.91Å; Y216-V230 HydrophobicContact CD1-CG2 4.33Å; Y216-V230 HydrophobicContact CE1-CG1 3.82Å; Y216-V230 HydrophobicContact CE1-CG2 4.22Å; V230-C232 PolarHBondContact O-N 3.02Å; V230-R235 HydrophobicContact CG2-CB 4.23Å
231	L	46.7	Very low	40.2	Very low	57 Å²	57	82.7 Å²	82.7	30%	0.298	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	132.6	163.2	-68.3	175.4	0	0	0	107.6	L211 K233 D234 R235	L211-L231 HydrophobicContact CB-CD2 4.15Å; L211-L231 HydrophobicContact CD2-CD2 4.09Å; L231-K233 HydrophobicContact CB-CG 4.05Å; L231-K233 PolarHBondContact O-N 3.38Å; L231-D234 HydrophobicContact CB-CB 4.37Å; L231-D234 WeakPolarHBondContact CB-OD2 3.05Å; L231-D234 WeakPolarHBondContact CD1-OD2 3.03Å; L231-D234 WeakPolarHBondContact O-CA 3.49Å; L231-D234 PolarHBondContact O-N 2.87Å; L231-R235 PolarHBondContact O-N 2.89Å
232	C	47	Very low	40.1	Very low	13 Å²	13	82.7 Å²	82.7	9%	0.088	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-59.4	-22.4	-175.4	-68.4	0	0	0	0	113.1	S212 C214 V230 R235	S212-C232 VanDerWaalsContact C-SG 3.52Å; S212-C232 PolarHBondContact O-N 2.02Å; S212-C232 PolarHBondContact O-SG 3.18Å; S212-C232 VanDerWaalsContact O-SG 3.42Å; C214-C232 HydrophobicContact CB-CB 4.2Å; C214-C232 WeakPolarHBondContact CB-SG 3.47Å; C214-C232 PolarHBondContact N-SG 3.31Å; C214-C232 VanDerWaalsContact N-SG 3.37Å; C214-C232 VanDerWaalsContact SG-CA 3.56Å; C214-C232 WeakPolarHBondContact SG-CB 2.83Å; C214-C232 CovalentContact SG-SG 2.05Å; C214-C232 PolarHBondContact SG-SG 3.38Å; V230-C232 PolarHBondContact O-N 3.02Å; C232-R235 WeakPolarHBondContact O-CD 3.42Å; C232-R235 WeakPolarHBondContact O-CG 3.49Å
233	K	48.1	Very low	39.9	Very low	159 Å²	159	81 Å²	81	69%	0.691	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-71.9	-28	172.8	76.7	-176.7	-171.4	-179.9	0	113.8	L231	L231-K233 HydrophobicContact CB-CG 4.05Å; L231-K233 PolarHBondContact O-N 3.38Å
234	D	51.7	Low	39.7	Very low	98 Å²	98	83.1 Å²	83.1	52%	0.524	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-102.7	11.4	-174	-59.6	-41.3	0	0	0	111.9	L231	L231-D234 HydrophobicContact CB-CB 4.37Å; L231-D234 WeakPolarHBondContact CB-OD2 3.05Å; L231-D234 WeakPolarHBondContact CD1-OD2 3.03Å; L231-D234 WeakPolarHBondContact O-CA 3.49Å; L231-D234 PolarHBondContact O-N 2.87Å
235	R	47.9	Very low	39.9	Very low	82 Å²	82	81.3 Å²	81.3	31%	0.309	43%	0.432	S	S	.	.	S	Bend	trans	-61.7	140.9	177.9	69.9	-174	177	-166.9	-1.7	111	V230 L231 C232 K237	V230-R235 HydrophobicContact CG2-CB 4.23Å; L231-R235 PolarHBondContact O-N 2.89Å; C232-R235 WeakPolarHBondContact O-CD 3.42Å; C232-R235 WeakPolarHBondContact O-CG 3.49Å; R235-K237 PolarHBondContact O-N 3.13Å
236	P	48.1	Very low	39.8	Very low	44 Å²	44	84.8 Å²	84.8	29%	0.286	44%	0.444	S	S	.	.			trans	-49.9	125.8	162.4	-25.2	34.2	0	0	0	109.1	D238 L239	P236-D238 WeakPolarHBondContact CA-OD1 3.45Å; P236-D238 WeakPolarHBondContact CB-OD1 3.43Å; P236-D238 PolarHBondContact O-N 2.88Å; P236-L239 HydrophobicContact CB-CB 4.46Å; P236-L239 HydrophobicContact CB-CD1 3.77Å; P236-L239 HydrophobicContact CB-CG 3.99Å; P236-L239 HydrophobicContact CG-CD1 3.61Å; P236-L239 HydrophobicContact CG-CG 4.38Å; P236-L239 PolarHBondContact O-N 2.97Å
237	K	43.6	Very low	39.7	Very low	208 Å²	208	86.2 Å²	86.2	90%	0.904	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.5	-170.5	-67.4	-177.7	-179.9	176.8	0	113	R235	R235-K237 PolarHBondContact O-N 3.13Å
238	D	40.3	Very low	39.7	Very low	134 Å²	134	88.6 Å²	88.6	72%	0.717	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.2	173.4	53.8	-44.8	0	0	0	113.8	P236	P236-D238 WeakPolarHBondContact CA-OD1 3.45Å; P236-D238 WeakPolarHBondContact CB-OD1 3.43Å; P236-D238 PolarHBondContact O-N 2.88Å
239	L	33.9	Very low	39.2	Very low	26 Å²	26	93.8 Å²	93.8	14%	0.136	49%	0.488	C	S	.	.			trans	-107	114.4	177.2	-61.5	173.5	0	0	0	111	Y216 P236 F241 F271	Y216-L239 HydrophobicContact CD1-CD1 4.43Å; Y216-L239 HydrophobicContact CD2-CD1 4.06Å; Y216-L239 HydrophobicContact CE2-CD1 4.23Å; Y216-L239 HydrophobicContact CG-CD1 4.16Å; P236-L239 HydrophobicContact CB-CB 4.46Å; P236-L239 HydrophobicContact CB-CD1 3.77Å; P236-L239 HydrophobicContact CB-CG 3.99Å; P236-L239 HydrophobicContact CG-CD1 3.61Å; P236-L239 HydrophobicContact CG-CG 4.38Å; P236-L239 PolarHBondContact O-N 2.97Å; L239-F241 HydrophobicContact CB-CD2 4.38Å; L239-F241 HydrophobicContact CB-CE2 3.62Å; L239-F241 HydrophobicContact CB-CZ 4.25Å; L239-F241 HydrophobicContact CD1-CE2 4.26Å; L239-F241 HydrophobicContact CG-CE2 4.45Å; L239-F271 HydrophobicContact CD2-CE1 4.28Å
240	I	33.3	Very low	38.8	Very low	128 Å²	128	99.6 Å²	99.6	66%	0.656	52%	0.518	S	S	*	.			trans	-100.2	111.9	174.9	-57.4	177.4	0	0	0	109.1
241	F	30.2	Very low	37.9	Very low	52 Å²	52	104 Å²	104	23%	0.228	55%	0.549	C	S	.	.			trans	-98.7	140.2	171	-72.2	-70.4	0	0	0	111.4	C214 E215 Y216 L239 C243	C214-F241 HydrophobicContact CB-CB 4.2Å; C214-F241 HydrophobicContact CB-CD2 4.09Å; C214-F241 HydrophobicContact CB-CG 4.18Å; E215-F241 WeakPolarHBondContact O-CD1 3.08Å; E215-F241 WeakPolarHBondContact O-CE1 2.96Å; Y216-F241 HydrophobicContact CD1-CE2 4.47Å; Y216-F241 HydrophobicContact CG-CE2 4.38Å; Y216-F241 HydrophobicContact CG-CZ 4.2Å; L239-F241 HydrophobicContact CB-CD2 4.38Å; L239-F241 HydrophobicContact CB-CE2 3.62Å; L239-F241 HydrophobicContact CB-CZ 4.25Å; L239-F241 HydrophobicContact CD1-CE2 4.26Å; L239-F241 HydrophobicContact CG-CE2 4.45Å; F241-C243 PolarHBondContact O-N 3.17Å
242	S	30	Very low	37.1	Very low	117 Å²	117	112.5 Å²	112.5	82%	0.818	58%	0.577	S	S	*	*			trans	-74.5	111.7	169.7	-178.7	0	0	0	0	109.1
243	C	27.4	Very low	36.3	Very low	30 Å²	30	122.3 Å²	122.3	20%	0.203	61%	0.612	C	S	.	*			trans	-82.5	121.5	175	-64	0	0	0	0	109.6	F241 T245 D248	F241-C243 PolarHBondContact O-N 3.17Å; C243-T245 PolarHBondContact O-N 2.84Å; C243-T245 VanDerWaalsContact O-N 3.14Å; C243-D248 HydrophobicContact CB-CB 3.53Å; C243-D248 WeakPolarHBondContact CB-OD2 3.02Å; C243-D248 PolarHBondContact SG-OD2 3.43Å
244	T	34.8	Very low	35.5	Very low	146 Å²	146	126.2 Å²	126.2	90%	0.896	62%	0.623	S	S	*	*			trans	-74.1	7.5	175.8	50.7	0	0	0	0	113.6
245	T	34.1	Very low	34.2	Very low	69 Å²	69	129.7 Å²	129.7	42%	0.423	63%	0.628	S	S	.	*	S	Bend	trans	-104.5	148.1	-174.5	73	0	0	0	0	112.5	C243 A247 D248	C243-T245 PolarHBondContact O-N 2.84Å; C243-T245 VanDerWaalsContact O-N 3.14Å; T245-A247 PolarHBondContact O-N 2.92Å; T245-D248 PolarHBondContact O-N 2.04Å
246	F	34.3	Very low	33.3	Very low	176 Å²	176	133.4 Å²	133.4	77%	0.772	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-15.7	-172.7	-142.7	-93.1	0	0	0	114.5
247	A	33.7	Very low	32.3	Very low	91 Å²	91	141 Å²	141	75%	0.752	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-12.8	-173.8	0	0	0	0	0	115.2	T245	T245-A247 PolarHBondContact O-N 2.92Å
248	D	38.1	Very low	31.7	Very low	78 Å²	78	139.1 Å²	139.1	42%	0.417	67%	0.67	S	S	.	*			trans	-106	17.5	-168.2	-87.5	-45.9	0	0	0	115.3	C243 T245 N250	C243-D248 HydrophobicContact CB-CB 3.53Å; C243-D248 WeakPolarHBondContact CB-OD2 3.02Å; C243-D248 PolarHBondContact SG-OD2 3.43Å; T245-D248 PolarHBondContact O-N 2.04Å; D248-N250 PolarHBondContact O-N 3.44Å
249	R	33.5	Very low	31.4	Very low	198 Å²	198	136.5 Å²	136.5	75%	0.747	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	5.6	-176.6	-81.9	-172.3	-176.1	-165.2	1.2	117
250	N	31.3	Very low	31.6	Very low	155 Å²	155	139.2 Å²	139.2	83%	0.829	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	15.3	-162.4	-95.1	-11.9	0	0	0	118.4	D248	D248-N250 PolarHBondContact O-N 3.44Å
251	C	28.8	Very low	32	Very low	123 Å²	123	139.8 Å²	139.8	83%	0.831	68%	0.677	S	S	*	*			trans	-102.4	91.7	176.6	-78.4	0	0	0	0	113.6
252	R	29.1	Very low	32.6	Very low	235 Å²	235	142.1 Å²	142.1	89%	0.887	69%	0.685	S	S	*	*			trans	-82.4	137.4	170.4	-103.6	177.4	174.6	-178.4	-1	111.4
253	R	29.9	Very low	33	Very low	219 Å²	219	140.7 Å²	140.7	83%	0.826	68%	0.68	S	S	*	*			trans	98.3	109.3	151.5	-67.4	176.2	168.7	176.5	-3	120.6
254	R	31.2	Very low	33.6	Very low	242 Å²	242	145.7 Å²	145.7	91%	0.913	70%	0.7	S	S	*	*				96.8	122.4	128.3	-75.7	-175	167.3	-176.7	-4.5	120.9
255	R	26	Very low	33.9	Very low	170 Å²	170	145.5 Å²	145.5	64%	0.642	68%	0.684	S	S	*	*			trans	-59.4	159.9	174.1	-61.1	172.9	174.7	164.7	3.3	114.1	I275	R255-I275 HydrophobicContact CG-CD1 3.77Å
256	I	28.8	Very low	33.9	Very low	160 Å²	160	145.1 Å²	145.1	82%	0.821	69%	0.694	S	S	*	*				-163.7	140.8	114	-86.8	146.3	0	0	0	109.5
257	W	26.8	Very low	34	Very low	204 Å²	204	137.5 Å²	137.5	77%	0.773	66%	0.662	S	S	*	*			trans	-84.1	135	174.7	-75.5	34.5	0	0	0	109.6
258	E	31.3	Very low	34.2	Very low	169 Å²	169	136 Å²	136	79%	0.79	65%	0.645	S	S	*	*			trans	177.6	138.4	154.5	-100.5	158.7	-148.5	0	0	108.9	T260	E258-T260 PolarHBondContact O-N 3.49Å; E258-T260 PolarHBondContact O-OG1 2.92Å
259	C	32.8	Very low	34.2	Very low	78 Å²	78	135.4 Å²	135.4	53%	0.527	64%	0.637	S	S	.	*			trans	-60.7	112.4	173.8	-157	0	0	0	0	107.5	F261 C268	C259-F261 PolarHBondContact O-N 3.29Å; C259-C268 WeakPolarHBondContact CB-SG 3.28Å; C259-C268 WeakPolarHBondContact SG-CB 3.45Å; C259-C268 CovalentContact SG-SG 2.08Å; C259-C268 PolarHBondContact SG-SG 3.31Å
260	T	39.6	Very low	34.3	Very low	84 Å²	84	133.9 Å²	133.9	52%	0.515	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	101.7	178.2	-49.6	0	0	0	0	107.7	E258 R262	E258-T260 PolarHBondContact O-N 3.49Å; E258-T260 PolarHBondContact O-OG1 2.92Å; T260-R262 HydrophobicContact CG2-CG 4.41Å; T260-R262 PolarHBondContact O-N 3.44Å
261	F	39.7	Very low	34.6	Very low	139 Å²	139	132.9 Å²	132.9	61%	0.61	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.9	116.6	168.8	-179.9	-97.9	0	0	0	108.7	C259 A263	C259-F261 PolarHBondContact O-N 3.29Å; F261-A263 HydrophobicContact CE1-CB 4.31Å
262	R	44.7	Very low	34.9	Very low	102 Å²	102	136.8 Å²	136.8	39%	0.385	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	107	175.6	-59	-153.8	97.1	-124.5	-4.3	109.8	T260 E264 Y265 G266 T267 Y269	T260-R262 HydrophobicContact CG2-CG 4.41Å; T260-R262 PolarHBondContact O-N 3.44Å; R262-E264 IonicContact CZ-OE2 2.85Å; R262-E264 IonicContact NH1-OE2 3.32Å; R262-E264 PolarHBondContact NH1-OE2 3.14Å; R262-E264 IonicContact NH2-OE2 3.89Å; R262-E264 PolarHBondContact O-N 3.29Å; R262-E264 VanDerWaalsContact O-N 3.17Å; R262-Y265 HydrophobicContact CB-CD2 3.94Å; R262-Y265 PolarHBondContact O-N 3.38Å; R262-G266 PolarHBondContact O-N 3.24Å; R262-G266 VanDerWaalsContact O-N 3.08Å; R262-T267 PolarHBondContact N-O 2.66Å; R262-Y269 HydrophobicContact CB-CD2 4.47Å; R262-Y269 HydrophobicContact CB-CE2 4.08Å; R262-Y269 HydrophobicContact CG-CD2 4.07Å; R262-Y269 HydrophobicContact CG-CE2 4.05Å
263	A	37.4	Very low	35.1	Very low	87 Å²	87	131.4 Å²	131.4	72%	0.719	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-27.8	177.9	0	0	0	0	0	113	F261 Y265	F261-A263 HydrophobicContact CE1-CB 4.31Å; A263-Y265 PolarHBondContact O-N 3.29Å
264	E	39.5	Very low	35.3	Very low	135 Å²	135	128.7 Å²	128.7	63%	0.631	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-23.6	175.8	-68	163.1	-163.4	0	0	113.6	R262	R262-E264 IonicContact CZ-OE2 2.85Å; R262-E264 IonicContact NH1-OE2 3.32Å; R262-E264 PolarHBondContact NH1-OE2 3.14Å; R262-E264 IonicContact NH2-OE2 3.89Å; R262-E264 PolarHBondContact O-N 3.29Å; R262-E264 VanDerWaalsContact O-N 3.17Å
265	Y	40.7	Very low	35.3	Very low	142 Å²	142	121.3 Å²	121.3	56%	0.557	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-1.8	-173.6	-56.1	-54.3	0	0	0	113.8	R262 A263 T267 Y269	R262-Y265 HydrophobicContact CB-CD2 3.94Å; R262-Y265 PolarHBondContact O-N 3.38Å; A263-Y265 PolarHBondContact O-N 3.29Å; Y265-T267 PolarHBondContact O-N 3.48Å; Y265-T267 VanDerWaalsContact O-N 3.14Å; Y265-Y269 HydrophobicContact CD2-CE2 4.08Å; Y265-Y269 VanDerWaalsContact CD2-OH 3.3Å; Y265-Y269 WeakPolarHBondContact CD2-OH 3.29Å
266	G	35.9	Very low	35.6	Very low	61 Å²	61	119.2 Å²	119.2	63%	0.629	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.9	22.6	179.8	0	0	0	0	0	114.7	R262	R262-G266 PolarHBondContact O-N 3.24Å; R262-G266 VanDerWaalsContact O-N 3.08Å
267	T	36	Very low	35.6	Very low	16 Å²	16	118.8 Å²	118.8	10%	0.098	58%	0.584	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.5	148.1	-173	-169.5	0	0	0	0	112.4	R262 Y265 Y269	R262-T267 PolarHBondContact N-O 2.66Å; Y265-T267 PolarHBondContact O-N 3.48Å; Y265-T267 VanDerWaalsContact O-N 3.14Å; T267-Y269 HydrophobicContact CG2-CD2 4.14Å; T267-Y269 HydrophobicContact CG2-CE1 4.27Å; T267-Y269 HydrophobicContact CG2-CE2 3.39Å; T267-Y269 VanDerWaalsContact CG2-CZ 3.47Å; T267-Y269 WeakPolarHBondContact CG2-OH 3.4Å
268	C	37.3	Very low	35.6	Very low	58 Å²	58	119 Å²	119	39%	0.392	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	133.9	173.2	-144.3	0	0	0	0	108.7	C259	C259-C268 WeakPolarHBondContact CB-SG 3.28Å; C259-C268 WeakPolarHBondContact SG-CB 3.45Å; C259-C268 CovalentContact SG-SG 2.08Å; C259-C268 PolarHBondContact SG-SG 3.31Å
269	Y	37.3	Very low	35.4	Very low	66 Å²	66	114.5 Å²	114.5	26%	0.259	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	126.4	177.2	-65	-96.8	0	0	0	109.6	R262 Y265 T267 F271	R262-Y269 HydrophobicContact CB-CD2 4.47Å; R262-Y269 HydrophobicContact CB-CE2 4.08Å; R262-Y269 HydrophobicContact CG-CD2 4.07Å; R262-Y269 HydrophobicContact CG-CE2 4.05Å; Y265-Y269 HydrophobicContact CD2-CE2 4.08Å; Y265-Y269 VanDerWaalsContact CD2-OH 3.3Å; Y265-Y269 WeakPolarHBondContact CD2-OH 3.29Å; T267-Y269 HydrophobicContact CG2-CD2 4.14Å; T267-Y269 HydrophobicContact CG2-CE1 4.27Å; T267-Y269 HydrophobicContact CG2-CE2 3.39Å; T267-Y269 VanDerWaalsContact CG2-CZ 3.47Å; T267-Y269 WeakPolarHBondContact CG2-OH 3.4Å; Y269-F271 VanDerWaalsContact CB-CE2 3.41Å; Y269-F271 HydrophobicContact CD1-CZ 4.1Å; Y269-F271 HydrophobicContact CG-CE2 4.36Å; Y269-F271 HydrophobicContact CG-CZ 4.22Å
270	Q	37.4	Very low	35.3	Very low	167 Å²	167	120.7 Å²	120.7	78%	0.78	60%	0.599	S	S	*	*			trans	-110	128.9	174.4	-168.5	176.4	9.4	0	0	109.3
271	F	36.7	Very low	35	Very low	134 Å²	134	126.8 Å²	126.8	59%	0.588	62%	0.621	S	S	*	*			trans	-129.2	143.1	-178.8	-57.8	-78.2	0	0	0	110.2	L239 Y269	L239-F271 HydrophobicContact CD2-CE1 4.28Å; Y269-F271 VanDerWaalsContact CB-CE2 3.41Å; Y269-F271 HydrophobicContact CD1-CZ 4.1Å; Y269-F271 HydrophobicContact CG-CE2 4.36Å; Y269-F271 HydrophobicContact CG-CZ 4.22Å
272	Y	34.4	Very low	34.3	Very low	205 Å²	205	121.6 Å²	121.6	80%	0.804	61%	0.607	S	S	*	*			trans	-117.3	142.1	170.3	85.4	-88.2	0	0	0	110.1
273	N	33.3	Very low	33.6	Very low	121 Å²	121	118.7 Å²	118.7	65%	0.647	61%	0.609	S	S	*	*			trans	-151.3	129.8	168.7	-93.3	-34.1	0	0	0	109.6
274	Q	35.1	Very low	33.4	Very low	163 Å²	163	120.8 Å²	120.8	76%	0.762	60%	0.603	S	S	*	*			trans	-105.5	134.1	177.8	-175	175.8	0.8	0	0	110.8
275	I	31.3	Very low	33.2	Very low	86 Å²	86	116.2 Å²	116.2	44%	0.441	59%	0.592	S	S	.	*			trans	-94.1	129.4	173	-57.9	-161	0	0	0	108.4	R255 E277	R255-I275 HydrophobicContact CG-CD1 3.77Å; I275-E277 HydrophobicContact CG2-CG 4.11Å
276	I	31.5	Very low	33	Very low	127 Å²	127	117 Å²	117	65%	0.651	61%	0.605	S	S	*	*			trans	-107.4	103.2	162.9	-54.2	176.2	0	0	0	106.2	L312	I276-L312 HydrophobicContact CD1-CD1 3.67Å
277	E	29.7	Very low	33.1	Very low	150 Å²	150	124.4 Å²	124.4	70%	0.701	61%	0.614	S	S	*	*			trans	-76.2	135.7	160.3	-76.1	-179.4	164.6	0	0	107.5	I275 A279	I275-E277 HydrophobicContact CG2-CG 4.11Å; E277-A279 PolarHBondContact O-N 3.32Å
278	E	25.5	Very low	33.2	Very low	210 Å²	210	127.5 Å²	127.5	98%	0.981	64%	0.635	S	S	*	*			trans	-61.9	86.8	157.1	-82.9	-178.5	161.3	0	0	107.2
279	A	27.5	Very low	33.7	Very low	73 Å²	73	128.3 Å²	128.3	60%	0.603	64%	0.638	S	S	*	*			trans	-118.3	109.7	166.9	0	0	0	0	0	106.6	E277	E277-A279 PolarHBondContact O-N 3.32Å
280	Y	30.8	Very low	34.2	Very low	209 Å²	209	134.2 Å²	134.2	82%	0.82	67%	0.668	S	S	*	*			trans	106.3	119	130.1	-135.9	-105.6	0	0	0	117.3	G282	Y280-G282 PolarHBondContact O-N 3.4Å
281	H	33.2	Very low	34.6	Very low	211 Å²	211	135.2 Å²	135.2	98%	0.977	67%	0.673	S	S	*	*	S	Bend	trans	-65.8	38.6	167.8	-67.3	-79.3	0	0	0	113.9
282	G	26.2	Very low	35	Very low	31 Å²	31	136.6 Å²	136.6	32%	0.32	68%	0.678	S	S	.	*	S	Bend	trans	-138.4	127.9	-172.7	0	0	0	0	0	113	Y280	Y280-G282 PolarHBondContact O-N 3.4Å
283	G	29.5	Very low	35.3	Very low	41 Å²	41	133.5 Å²	133.5	42%	0.423	67%	0.666	S	S	.	*			trans	-51.3	147.8	-167.9	0	0	0	0	0	117
284	H	33.2	Very low	36	Very low	131 Å²	131	130.7 Å²	130.7	61%	0.606	65%	0.651	S	S	*	*			trans	-86	117.8	-178	-64.9	-68.8	0	0	0	112
285	G	34.2	Very low	36.7	Very low	39 Å²	39	128.2 Å²	128.2	40%	0.402	65%	0.649	S	S	.	*			trans	-144.6	140.3	160.9	0	0	0	0	0	109.1	R287	G285-R287 PolarHBondContact O-N 3.02Å
286	I	38.3	Very low	37.5	Very low	159 Å²	159	132 Å²	132	82%	0.815	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-66.5	119.1	174.3	-61.8	170.9	0	0	0	107.6	C288	I286-C288 PolarHBondContact O-N 3.31Å
287	R	36.8	Very low	37.9	Very low	216 Å²	216	133.4 Å²	133.4	82%	0.815	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-57.4	127.5	173.7	-116.8	-176.5	-168.2	-176.8	2.6	109.8	G285	G285-R287 PolarHBondContact O-N 3.02Å
288	C	39.1	Very low	38.5	Very low	80 Å²	80	132.3 Å²	132.3	54%	0.541	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-65.3	134.3	168.4	-66.7	0	0	0	0	109.3	I286	I286-C288 PolarHBondContact O-N 3.31Å
289	T	46.3	Very low	38.9	Very low	76 Å²	76	124.9 Å²	124.9	47%	0.466	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-67	141.4	171.5	50.8	0	0	0	0	109.7	E291 K292	T289-E291 PolarHBondContact O-N 3.04Å; T289-E291 VanDerWaalsContact O-N 3.1Å; T289-K292 PolarHBondContact O-N 2.87Å; T289-K292 WeakPolarHBondContact OG1-CG 3.32Å
290	E	48.6	Very low	39.8	Very low	189 Å²	189	126.4 Å²	126.4	88%	0.883	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-54.9	-29.7	178.8	-72	-179.7	168.7	0	0	112.2	K292 Y293	E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.49Å; E290-Y293 WeakPolarHBondContact O-CB 3.45Å; E290-Y293 PolarHBondContact O-N 3.07Å
291	E	45.7	Very low	40.3	Very low	189 Å²	189	118.9 Å²	118.9	88%	0.883	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-70.7	-16.3	176.6	-61.2	177.6	174.4	0	0	114.6	T289	T289-E291 PolarHBondContact O-N 3.04Å; T289-E291 VanDerWaalsContact O-N 3.1Å
292	K	45.1	Very low	40.9	Very low	162 Å²	162	112.5 Å²	112.5	70%	0.704	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-100.3	6.6	176.4	-75.9	-176.4	178.1	178.7	0	112.8	T289 E290 D294	T289-K292 PolarHBondContact O-N 2.87Å; T289-K292 WeakPolarHBondContact OG1-CG 3.32Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.49Å; K292-D294 PolarHBondContact O-N 3.25Å
293	Y	41.5	Very low	41.8	Very low	140 Å²	140	111.7 Å²	111.7	55%	0.549	58%	0.576	S	S	.	*			trans	-87	104.1	176.5	-167.7	-96.3	0	0	0	109.6	E290 P295	E290-Y293 WeakPolarHBondContact O-CB 3.45Å; E290-Y293 PolarHBondContact O-N 3.07Å; Y293-P295 HydrophobicContact CD1-CG 4.4Å; Y293-P295 HydrophobicContact CE1-CG 4.48Å; Y293-P295 WeakPolarHBondContact O-CD 3.44Å
294	D	46.7	Very low	42.5	Very low	62 Å²	62	119 Å²	119	33%	0.332	60%	0.597	S	S	.	*			trans	-94.7	111.8	170.2	-166	-34.6	0	0	0	109.7	K292 K296 Y297 N298	K292-D294 PolarHBondContact O-N 3.25Å; D294-K296 PolarHBondContact O-N 3.05Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-K296 WeakPolarHBondContact OD1-CA 3.44Å; D294-K296 WeakPolarHBondContact OD1-CB 3.43Å; D294-K296 PolarHBondContact OD1-N 3.23Å; D294-Y297 HydrophobicContact CB-CD2 3.86Å; D294-Y297 PolarHBondContact O-N 3.29Å; D294-Y297 VanDerWaalsContact O-N 3.11Å; D294-Y297 WeakPolarHBondContact OD2-CD2 3.39Å; D294-Y297 WeakPolarHBondContact OD2-CE2 3.41Å; D294-N298 PolarHBondContact O-N 2.83Å
295	P	51	Low	42.8	Very low	111 Å²	111	116.2 Å²	116.2	72%	0.721	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-19.6	177	-18.8	30.7	0	0	0	113.4	Y293	Y293-P295 HydrophobicContact CD1-CG 4.4Å; Y293-P295 HydrophobicContact CE1-CG 4.48Å; Y293-P295 WeakPolarHBondContact O-CD 3.44Å
296	K	47	Very low	43	Very low	165 Å²	165	118.8 Å²	118.8	72%	0.717	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-23.8	179.1	-164.8	178.6	177.8	-179.2	0	112.8	D294	D294-K296 PolarHBondContact O-N 3.05Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-K296 WeakPolarHBondContact OD1-CA 3.44Å; D294-K296 WeakPolarHBondContact OD1-CB 3.43Å; D294-K296 PolarHBondContact OD1-N 3.23Å
297	Y	39.1	Very low	43.1	Very low	157 Å²	157	115.4 Å²	115.4	62%	0.616	58%	0.58	S	S	*	*	S	Bend	trans	-119.7	33	-176.6	-55.7	-64.2	0	0	0	114	D294 C299	D294-Y297 HydrophobicContact CB-CD2 3.86Å; D294-Y297 PolarHBondContact O-N 3.29Å; D294-Y297 VanDerWaalsContact O-N 3.11Å; D294-Y297 WeakPolarHBondContact OD2-CD2 3.39Å; D294-Y297 WeakPolarHBondContact OD2-CE2 3.41Å; Y297-C299 PolarHBondContact O-N 2.84Å
298	N	44.3	Very low	43.2	Very low	128 Å²	128	108.7 Å²	108.7	68%	0.684	56%	0.559	S	S	*	*			trans	25.6	66.2	161	-146.8	14.5	0	0	0	114.2	D294 T300	D294-N298 PolarHBondContact O-N 2.83Å; N298-T300 PolarHBondContact O-N 2.8Å
299	C	34	Very low	42.9	Very low	53 Å²	53	111.7 Å²	111.7	36%	0.358	57%	0.566	S	S	.	*			trans	-58.9	101.7	-173.8	-75.3	0	0	0	0	110.7	Y297 C301 K341	Y297-C299 PolarHBondContact O-N 2.84Å; C299-C301 PolarHBondContact O-N 3.25Å; C299-K341 PolarHBondContact O-NZ 2.73Å
300	T	44.5	Very low	42.4	Very low	105 Å²	105	109.9 Å²	109.9	64%	0.644	55%	0.55	S	S	*	.			trans	-74.7	112.5	161.1	43	0	0	0	0	106.8	N298 P302	N298-T300 PolarHBondContact O-N 2.8Å; T300-P302 WeakPolarHBondContact O-CD 3.32Å
301	C	41.6	Very low	41.7	Very low	52 Å²	52	103.3 Å²	103.3	35%	0.351	53%	0.525	S	S	.	.			trans	-54.9	107.8	160.5	-78.7	0	0	0	0	107	C299 C303	C299-C301 PolarHBondContact O-N 3.25Å; C301-C303 PolarHBondContact O-N 2.85Å
302	P	45.9	Very low	41.2	Very low	76 Å²	76	100.3 Å²	100.3	49%	0.494	52%	0.515	S	S	.	.			trans	-74.2	125.2	171.3	-3.1	23.4	0	0	0	104.7	T300 K304 S305	T300-P302 WeakPolarHBondContact O-CD 3.32Å; P302-K304 HydrophobicContact CB-CB 3.72Å; P302-K304 CarbonylContact O-C 3.51Å; P302-K304 PolarHBondContact O-N 3.29Å; P302-S305 PolarHBondContact O-N 2.81Å
303	C	45	Very low	40.6	Very low	14 Å²	14	102.6 Å²	102.6	10%	0.095	52%	0.519	C	S	.	.	S	Bend	trans	-60.1	-4.1	156.8	-59.5	0	0	0	0	110.6	C301 S305 P327 I329 C345	C301-C303 PolarHBondContact O-N 2.85Å; C303-S305 PolarHBondContact O-N 3.12Å; C303-S305 VanDerWaalsContact O-N 3.14Å; C303-P327 HydrophobicContact CB-CB 4.24Å; C303-P327 VanDerWaalsContact O-O 3.08Å; C303-I329 HydrophobicContact CB-CG1 3.71Å; C303-I329 VanDerWaalsContact SG-CG1 3.54Å; C303-C345 HydrophobicContact CB-CB 4.26Å; C303-C345 WeakPolarHBondContact CB-SG 3.22Å; C303-C345 VanDerWaalsContact SG-CA 3.59Å; C303-C345 WeakPolarHBondContact SG-CB 2.96Å; C303-C345 CovalentContact SG-SG 2.07Å; C303-C345 PolarHBondContact SG-SG 3.43Å
304	K	43.8	Very low	40.3	Very low	196 Å²	196	96.1 Å²	96.1	85%	0.852	49%	0.494	S	S	*	.			trans	-76	61.4	160.6	-70	179.2	168.9	179.9	0	111.7	P302	P302-K304 HydrophobicContact CB-CB 3.72Å; P302-K304 CarbonylContact O-C 3.51Å; P302-K304 PolarHBondContact O-N 3.29Å
305	S	40	Very low	39.6	Very low	72 Å²	72	95.9 Å²	95.9	50%	0.503	50%	0.501	S	S	.	.			trans	-103.4	142.4	156.4	55.5	0	0	0	0	108.8	P302 C303 W307	P302-S305 PolarHBondContact O-N 2.81Å; C303-S305 PolarHBondContact O-N 3.12Å; C303-S305 VanDerWaalsContact O-N 3.14Å; S305-W307 PolarHBondContact O-N 3.09Å
306	S	38.6	Very low	38.6	Very low	93 Å²	93	94.5 Å²	94.5	65%	0.65	49%	0.494	S	S	*	.			trans	-47.3	135	175.8	46.4	0	0	0	0	110.4
307	W	39.7	Very low	37.8	Very low	87 Å²	87	91 Å²	91	33%	0.33	49%	0.489	S	S	.	.			trans	-2.7	127.5	170.5	-48.9	92.7	0	0	0	115.4	S305 E309 R324 E350 N365	S305-W307 PolarHBondContact O-N 3.09Å; W307-E309 PolarHBondContact O-N 2.9Å; W307-E309 VanDerWaalsContact O-N 3.09Å; W307-R324 HydrophobicContact CE3-CB 4.46Å; W307-R324 HydrophobicContact CZ3-CB 4.22Å; W307-E350 WeakPolarHBondContact CH2-OE2 3.32Å; W307-E350 WeakPolarHBondContact CZ3-OE2 3.45Å; W307-N365 HydrophobicContact CB-CB 3.8Å; W307-N365 HydrophobicContact CG-CB 3.98Å
308	M	39	Very low	37.6	Very low	75 Å²	75	85.2 Å²	85.2	37%	0.369	48%	0.477	S	S	.	.			trans	-57.3	124.3	158.3	-76.8	-177.1	-86.4	0	0	106.8	W310 L325 Q347	M308-W310 PolarHBondContact O-N 3.09Å; M308-L325 HydrophobicContact CE-CB 4.15Å; M308-Q347 HydrophobicContact CE-CG 3.82Å
309	E	34.7	Very low	36.9	Very low	144 Å²	144	86.3 Å²	86.3	67%	0.673	48%	0.481	S	S	*	.			trans	-41.3	140.2	161.8	-71.6	175.3	169.6	0	0	107.3	W307 S311	W307-E309 PolarHBondContact O-N 2.9Å; W307-E309 VanDerWaalsContact O-N 3.09Å; E309-S311 PolarHBondContact O-N 2.72Å
310	W	34.5	Very low	36.9	Very low	37 Å²	37	86 Å²	86	14%	0.14	48%	0.482	C	S	.	.			trans	-31.3	111.3	172.9	-68.2	99.3	0	0	0	108.6	M308 S314 T321 Y360 T364	M308-W310 PolarHBondContact O-N 3.09Å; W310-S314 WeakPolarHBondContact CA-OG 3.3Å; W310-S314 WeakPolarHBondContact CB-OG 3.34Å; W310-S314 VanDerWaalsContact CD2-O 3.24Å; W310-S314 VanDerWaalsContact CE3-OG 3.26Å; W310-S314 WeakPolarHBondContact CZ3-O 3.42Å; W310-T321 HydrophobicContact CZ3-CG2 4.08Å; W310-T321 WeakPolarHBondContact CZ3-O 2.89Å; W310-Y360 HydrophobicContact CZ2-CD2 4.5Å; W310-Y360 HydrophobicContact CZ2-CG 4.17Å; W310-T364 PolarHBondContact NE1-O 2.89Å
311	S	34.2	Very low	36.6	Very low	51 Å²	51	81.4 Å²	81.4	36%	0.357	45%	0.454	S	S	.	.			trans	-52.6	152	169.8	63.4	0	0	0	0	106.5	E309 W313 S314	E309-S311 PolarHBondContact O-N 2.72Å; S311-W313 PolarHBondContact O-N 2.78Å; S311-S314 PolarHBondContact N-OG 2.84Å; S311-S314 WeakPolarHBondContact O-CA 3.26Å; S311-S314 WeakPolarHBondContact O-CB 3.18Å; S311-S314 PolarHBondContact O-N 2.8Å; S311-S314 PolarHBondContact O-OG 3.43Å; S311-S314 PolarHBondContact OG-OG 2.89Å
312	L	34.6	Very low	36.5	Very low	127 Å²	127	87.6 Å²	87.6	67%	0.665	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-11.9	177.5	-81.6	153.2	0	0	0	113.8	I276 S314	I276-L312 HydrophobicContact CD1-CD1 3.67Å; L312-S314 VanDerWaalsContact C-N 3.34Å
313	W	32.9	Very low	36.4	Very low	209 Å²	209	87.2 Å²	87.2	79%	0.792	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-6	172.4	-67.5	77.4	0	0	0	115.4	S311 A320	S311-W313 PolarHBondContact O-N 2.78Å; W313-A320 WeakPolarHBondContact O-CB 3.48Å
314	S	34.7	Very low	36.5	Very low	5 Å²	5	88.1 Å²	88.1	4%	0.035	47%	0.465	C	S	.	.	S	Bend	trans	-129.1	23	-169.7	68.1	0	0	0	0	111.3	W310 S311 L312 T321	W310-S314 WeakPolarHBondContact CA-OG 3.3Å; W310-S314 WeakPolarHBondContact CB-OG 3.34Å; W310-S314 VanDerWaalsContact CD2-O 3.24Å; W310-S314 VanDerWaalsContact CE3-OG 3.26Å; W310-S314 WeakPolarHBondContact CZ3-O 3.42Å; S311-S314 PolarHBondContact N-OG 2.84Å; S311-S314 WeakPolarHBondContact O-CA 3.26Å; S311-S314 WeakPolarHBondContact O-CB 3.18Å; S311-S314 PolarHBondContact O-N 2.8Å; S311-S314 PolarHBondContact O-OG 3.43Å; S311-S314 PolarHBondContact OG-OG 2.89Å; L312-S314 VanDerWaalsContact C-N 3.34Å; S314-T321 VanDerWaalsContact C-CG2 3.45Å; S314-T321 WeakPolarHBondContact O-CG2 3.32Å
315	A	33.1	Very low	36.6	Very low	57 Å²	57	80.8 Å²	80.8	47%	0.471	44%	0.435	S	S	.	.	S	Bend	trans	-99.8	12.1	178	0	0	0	0	0	113.6
316	S	29.7	Very low	37.1	Very low	82 Å²	82	82.2 Å²	82.2	57%	0.573	43%	0.429	S	S	*	.	S	Bend	trans	-144.1	122.7	-178.8	58.6	0	0	0	0	111.8	G318 T321	S316-G318 VanDerWaalsContact C-N 3.33Å; S316-G318 PolarHBondContact O-N 3.32Å; S316-T321 VanDerWaalsContact C-CG2 3.42Å; S316-T321 WeakPolarHBondContact O-CG2 3.09Å; S316-T321 PolarHBondContact O-OG1 3.12Å
317	C	30.8	Very low	37.5	Very low	92 Å²	92	78.8 Å²	78.8	62%	0.622	40%	0.404	S	S	*	.	S	Bend	trans	-55.6	87.8	-176.5	-68.8	0	0	0	0	112.3
318	G	33.4	Very low	38.4	Very low	35 Å²	35	80.3 Å²	80.3	36%	0.361	41%	0.41	S	S	.	.	S	Bend	trans	-155.8	-178.9	-175.7	0	0	0	0	0	111.9	S316 A320 T321	S316-G318 VanDerWaalsContact C-N 3.33Å; S316-G318 PolarHBondContact O-N 3.32Å; G318-A320 PolarHBondContact O-N 3.33Å; G318-T321 PolarHBondContact N-OG1 3.3Å; G318-T321 PolarHBondContact O-N 3.19Å; G318-T321 PolarHBondContact O-OG1 3.28Å
319	I	30.9	Very low	39.4	Very low	151 Å²	151	81.6 Å²	81.6	77%	0.774	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-56.4	-24.8	-178.5	-95.2	165.4	0	0	0	113.2
320	A	33.1	Very low	40.8	Very low	46 Å²	46	76.7 Å²	76.7	38%	0.38	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-77.8	-22.2	176.8	0	0	0	0	0	114.5	W313 G318 R322	W313-A320 WeakPolarHBondContact O-CB 3.48Å; G318-A320 PolarHBondContact O-N 3.33Å; A320-R322 VanDerWaalsContact C-N 3.25Å; A320-R322 PolarHBondContact O-N 3.49Å
321	T	39.3	Very low	42	Very low	8 Å²	8	83.8 Å²	83.8	5%	0.049	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-78.2	-0.5	177.8	38.7	0	0	0	0	114.7	W310 S314 S316 G318 L323 C357	W310-T321 HydrophobicContact CZ3-CG2 4.08Å; W310-T321 WeakPolarHBondContact CZ3-O 2.89Å; S314-T321 VanDerWaalsContact C-CG2 3.45Å; S314-T321 WeakPolarHBondContact O-CG2 3.32Å; S316-T321 VanDerWaalsContact C-CG2 3.42Å; S316-T321 WeakPolarHBondContact O-CG2 3.09Å; S316-T321 PolarHBondContact O-OG1 3.12Å; G318-T321 PolarHBondContact N-OG1 3.3Å; G318-T321 PolarHBondContact O-N 3.19Å; G318-T321 PolarHBondContact O-OG1 3.28Å; T321-L323 VanDerWaalsContact C-N 3.32Å; T321-C357 VanDerWaalsContact CB-SG 3.53Å; T321-C357 PolarHBondContact OG1-SG 2.82Å; T321-C357 VanDerWaalsContact OG1-SG 3.41Å
322	R	39.9	Very low	43.4	Very low	183 Å²	183	92.5 Å²	92.5	69%	0.691	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-89.6	0.9	178.9	-65.5	-176.4	177.9	162	-0.6	113.7	A320	A320-R322 VanDerWaalsContact C-N 3.25Å; A320-R322 PolarHBondContact O-N 3.49Å
323	L	42.8	Very low	44.7	Very low	67 Å²	67	88 Å²	88	35%	0.351	44%	0.435	S	S	.	.			trans	-111.7	100.5	-174	-73.2	154.6	0	0	0	109.4	T321 D349	T321-L323 VanDerWaalsContact C-N 3.32Å; L323-D349 HydrophobicContact CD2-CB 3.59Å
324	R	47.6	Very low	45.9	Very low	34 Å²	34	83.5 Å²	83.5	13%	0.128	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.7	167	-60.7	-178.7	85	168.3	8.1	108.1	W307 E350 Y360	W307-R324 HydrophobicContact CE3-CB 4.46Å; W307-R324 HydrophobicContact CZ3-CB 4.22Å; R324-E350 HydrophobicContact CB-CB 4.32Å; R324-E350 PolarHBondContact O-N 2.92Å; R324-Y360 PolarHBondContact NH1-OH 3.49Å
325	L	45.5	Very low	47.1	Very low	41 Å²	41	86.9 Å²	86.9	22%	0.215	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116	174.9	-58.3	177.2	0	0	0	108.3	M308 Q347 D349	M308-L325 HydrophobicContact CE-CB 4.15Å; L325-Q347 HydrophobicContact CB-CB 4.44Å; L325-Q347 HydrophobicContact CB-CG 4.35Å; L325-Q347 HydrophobicContact CD1-CB 4.46Å; L325-Q347 HydrophobicContact CD1-CG 4.35Å; L325-Q347 HydrophobicContact CD2-CB 4.3Å; L325-D349 WeakPolarHBondContact CD2-OD1 3.41Å
326	R	49.8	Very low	48.3	Very low	103 Å²	103	86.5 Å²	86.5	39%	0.389	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.5	169.1	69.7	-179.1	-173.2	171.5	-1.3	110.1	R328 H348	R326-R328 PolarHBondContact O-N 3.24Å; R326-H348 PolarHBondContact N-O 2.9Å; R326-H348 PolarHBondContact O-N 3.43Å
327	P	48.4	Very low	49.5	Very low	20 Å²	20	89.9 Å²	89.9	13%	0.13	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.1	170.5	18.2	-17.3	0	0	0	109.6	C303 C345	C303-P327 HydrophobicContact CB-CB 4.24Å; C303-P327 VanDerWaalsContact O-O 3.08Å; P327-C345 HydrophobicContact CB-CB 4.04Å
328	R	58	Low	50.4	Low	120 Å²	120	90.4 Å²	90.4	45%	0.453	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.4	173	-166.1	-179.6	-176	173.1	-0.8	109	R326 N330 C345 E346	R326-R328 PolarHBondContact O-N 3.24Å; R328-N330 PolarHBondContact O-N 2.94Å; R328-N330 VanDerWaalsContact O-N 3.15Å; R328-C345 CarbonylContact O-C 3.52Å; R328-C345 VanDerWaalsContact O-CA 3.27Å; R328-C345 WeakPolarHBondContact O-CA 3.23Å; R328-E346 HydrophobicContact CB-CG 4.24Å; R328-E346 PolarHBondContact N-O 3.33Å; R328-E346 PolarHBondContact O-N 3.42Å
329	I	60.4	Low	51.4	Low	102 Å²	102	93.7 Å²	93.7	52%	0.523	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	117.5	174.5	-61.3	174.2	0	0	0	108.3	C303 Q331 C344	C303-I329 HydrophobicContact CB-CG1 3.71Å; C303-I329 VanDerWaalsContact SG-CG1 3.54Å; I329-Q331 PolarHBondContact O-N 3.36Å; I329-Q331 VanDerWaalsContact O-N 3.11Å; I329-C344 CarbonylContact C-O 3.59Å; I329-C344 WeakPolarHBondContact CA-O 3.18Å
330	N	62.4	Low	52.6	Low	40 Å²	40	89 Å²	89	21%	0.214	44%	0.444	C	S	.	.			trans	-71.4	99.6	168.8	-176.9	-13.7	0	0	0	108.5	R328 R332 S333 C344 E346	R328-N330 PolarHBondContact O-N 2.94Å; R328-N330 VanDerWaalsContact O-N 3.15Å; N330-R332 PolarHBondContact O-N 2.87Å; N330-R332 VanDerWaalsContact O-N 3.14Å; N330-R332 WeakPolarHBondContact OD1-CA 3.4Å; N330-R332 WeakPolarHBondContact OD1-CB 3.46Å; N330-R332 PolarHBondContact OD1-N 3.37Å; N330-S333 PolarHBondContact O-N 2.73Å; N330-S333 PolarHBondContact OD1-N 2.82Å; N330-C344 PolarHBondContact N-O 2.82Å; N330-E346 HydrophobicContact CB-CB 4.19Å; N330-E346 HydrophobicContact CB-CG 4.09Å
331	Q	61.3	Low	53.6	Low	186 Å²	186	89.9 Å²	89.9	87%	0.869	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.7	-180	-66.9	-175.5	-21.5	0	0	113.8	I329	I329-Q331 PolarHBondContact O-N 3.36Å; I329-Q331 VanDerWaalsContact O-N 3.11Å
332	R	62.3	Low	54.2	Low	234 Å²	234	91.3 Å²	91.3	88%	0.883	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-6.6	-179.1	-62.4	-178.9	179.2	-177.9	-0	113.5	N330 S334	N330-R332 PolarHBondContact O-N 2.87Å; N330-R332 VanDerWaalsContact O-N 3.14Å; N330-R332 WeakPolarHBondContact OD1-CA 3.4Å; N330-R332 WeakPolarHBondContact OD1-CB 3.46Å; N330-R332 PolarHBondContact OD1-N 3.37Å; R332-S334 PolarHBondContact O-N 3.48Å
333	S	61.9	Low	54.9	Low	32 Å²	32	87.1 Å²	87.1	22%	0.224	43%	0.434	C	S	.	.			trans	-78.2	118.2	179.6	-172.6	0	0	0	0	110.3	N330 D335 C336 C344	N330-S333 PolarHBondContact O-N 2.73Å; N330-S333 PolarHBondContact OD1-N 2.82Å; S333-D335 PolarHBondContact OG-N 2.05Å; S333-C336 PolarHBondContact O-SG 3.31Å; S333-C344 PolarHBondContact OG-SG 3.01Å
334	S	59	Low	55.7	Low	116 Å²	116	84.3 Å²	84.3	81%	0.811	42%	0.42	S	S	*	.	S	Bend	trans	-78.1	-9.1	172.5	54.9	0	0	0	0	113	R332 C336	R332-S334 PolarHBondContact O-N 3.48Å; S334-C336 PolarHBondContact O-N 2.76Å
335	D	59.8	Low	56	Low	76 Å²	76	83.8 Å²	83.8	41%	0.406	42%	0.421	S	S	.	.			trans	-100.4	26.7	-165.8	-143.5	26.2	0	0	0	112.3	S333 E337 N340 K343	S333-D335 PolarHBondContact OG-N 2.05Å; D335-E337 PolarHBondContact O-N 3.17Å; D335-N340 VanDerWaalsContact O-CB 3.3Å; D335-N340 WeakPolarHBondContact O-CB 3.24Å; D335-K343 IonicContact OD2-NZ 3.24Å; D335-K343 PolarHBondContact OD2-NZ 3.04Å
336	C	57.7	Low	56.4	Low	49 Å²	49	85.4 Å²	85.4	33%	0.331	43%	0.428	S	S	.	.			trans	-82.2	14.4	-173.9	-57.3	0	0	0	0	115.4	S333 S334 C344	S333-C336 PolarHBondContact O-SG 3.31Å; S334-C336 PolarHBondContact O-N 2.76Å; C336-C344 WeakPolarHBondContact CA-SG 3Å; C336-C344 HydrophobicContact CB-CB 3.97Å; C336-C344 WeakPolarHBondContact CB-SG 3.34Å; C336-C344 PolarHBondContact N-SG 3.38Å; C336-C344 WeakPolarHBondContact SG-CB 3.45Å; C336-C344 CovalentContact SG-SG 2Å; C336-C344 PolarHBondContact SG-SG 3.31Å
337	E	56.3	Low	56.5	Low	153 Å²	153	85.2 Å²	85.2	72%	0.715	43%	0.431	S	S	*	.	S	Bend	trans	-79.4	153.4	178.1	-61.9	-173.9	168.7	0	0	110.8	D335 N340 K341	D335-E337 PolarHBondContact O-N 3.17Å; E337-N340 CarbonylContact O-C 3.59Å; E337-N340 VanDerWaalsContact O-CA 3.29Å; E337-N340 WeakPolarHBondContact O-CA 3.31Å; E337-N340 WeakPolarHBondContact O-CB 3.18Å; E337-N340 PolarHBondContact O-N 2.86Å; E337-K341 PolarHBondContact O-N 3.46Å
338	V	49.1	Very low	56.7	Low	103 Å²	103	88 Å²	88	62%	0.624	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	131.9	172.7	179.5	0	0	0	0	108	K341	V338-K341 HydrophobicContact CG2-CD 4.09Å; V338-K341 HydrophobicContact CG2-CG 4.29Å
339	P	53.7	Low	56.5	Low	104 Å²	104	86.6 Å²	86.6	68%	0.675	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.3	7	14.2	37.3	-35.2	0	0	0	115.1	K341	P339-K341 PolarHBondContact O-N 3.42Å
340	N	56.3	Low	56.2	Low	51 Å²	51	84.4 Å²	84.4	27%	0.273	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-91	15.8	-170.9	-68.6	-25.1	0	0	0	114.8	D335 E337 D342 K343	D335-N340 VanDerWaalsContact O-CB 3.3Å; D335-N340 WeakPolarHBondContact O-CB 3.24Å; E337-N340 CarbonylContact O-C 3.59Å; E337-N340 VanDerWaalsContact O-CA 3.29Å; E337-N340 WeakPolarHBondContact O-CA 3.31Å; E337-N340 WeakPolarHBondContact O-CB 3.18Å; E337-N340 PolarHBondContact O-N 2.86Å; N340-D342 PolarHBondContact O-N 2.01Å; N340-K343 HydrophobicContact CB-CD 3.92Å; N340-K343 HydrophobicContact CB-CG 4.15Å; N340-K343 PolarHBondContact ND2-NZ 3.22Å; N340-K343 VanDerWaalsContact O-CB 3.29Å; N340-K343 WeakPolarHBondContact O-CB 3.08Å; N340-K343 PolarHBondContact O-N 3.34Å; N340-K343 WeakPolarHBondContact OD1-CE 3.3Å
341	K	54.6	Low	55.8	Low	65 Å²	65	89.5 Å²	89.5	28%	0.283	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-52.2	-31.3	178.2	-78	-173.5	176.7	172.7	0	112.9	C299 E337 V338 P339 K343 C344	C299-K341 PolarHBondContact O-NZ 2.73Å; E337-K341 PolarHBondContact O-N 3.46Å; V338-K341 HydrophobicContact CG2-CD 4.09Å; V338-K341 HydrophobicContact CG2-CG 4.29Å; P339-K341 PolarHBondContact O-N 3.42Å; K341-K343 PolarHBondContact O-N 3.47Å; K341-C344 WeakPolarHBondContact O-CB 3.45Å; K341-C344 PolarHBondContact O-N 2.89Å; K341-C344 VanDerWaalsContact O-N 3.13Å
342	D	51.5	Low	55.4	Low	38 Å²	38	83.1 Å²	83.1	20%	0.203	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-64.1	-28.2	178.5	-47	-24.2	0	0	0	112.4	N340 C344 C345	N340-D342 PolarHBondContact O-N 2.01Å; D342-C344 PolarHBondContact O-N 2.08Å; D342-C345 PolarHBondContact O-N 2.94Å
343	K	55.1	Low	54.8	Low	95 Å²	95	80.6 Å²	80.6	41%	0.413	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-72.1	-8.5	176.7	-58.9	-171.8	-172.4	168.4	0	113.4	D335 N340 K341	D335-K343 IonicContact OD2-NZ 3.24Å; D335-K343 PolarHBondContact OD2-NZ 3.04Å; N340-K343 HydrophobicContact CB-CD 3.92Å; N340-K343 HydrophobicContact CB-CG 4.15Å; N340-K343 PolarHBondContact ND2-NZ 3.22Å; N340-K343 VanDerWaalsContact O-CB 3.29Å; N340-K343 WeakPolarHBondContact O-CB 3.08Å; N340-K343 PolarHBondContact O-N 3.34Å; N340-K343 WeakPolarHBondContact OD1-CE 3.3Å; K341-K343 PolarHBondContact O-N 3.47Å
344	C	59.3	Low	54.6	Low	8 Å²	8	85.2 Å²	85.2	5%	0.054	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-96.3	3.7	179.7	-67.7	0	0	0	0	114.3	I329 N330 S333 C336 K341 D342	I329-C344 CarbonylContact C-O 3.59Å; I329-C344 WeakPolarHBondContact CA-O 3.18Å; N330-C344 PolarHBondContact N-O 2.82Å; S333-C344 PolarHBondContact OG-SG 3.01Å; C336-C344 WeakPolarHBondContact CA-SG 3Å; C336-C344 HydrophobicContact CB-CB 3.97Å; C336-C344 WeakPolarHBondContact CB-SG 3.34Å; C336-C344 PolarHBondContact N-SG 3.38Å; C336-C344 WeakPolarHBondContact SG-CB 3.45Å; C336-C344 CovalentContact SG-SG 2Å; C336-C344 PolarHBondContact SG-SG 3.31Å; K341-C344 WeakPolarHBondContact O-CB 3.45Å; K341-C344 PolarHBondContact O-N 2.89Å; K341-C344 VanDerWaalsContact O-N 3.13Å; D342-C344 PolarHBondContact O-N 2.08Å
345	C	53.8	Low	54.5	Low	24 Å²	24	82.3 Å²	82.3	16%	0.162	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.5	166.4	-57.5	0	0	0	0	110	C303 P327 R328 D342	C303-C345 HydrophobicContact CB-CB 4.26Å; C303-C345 WeakPolarHBondContact CB-SG 3.22Å; C303-C345 VanDerWaalsContact SG-CA 3.59Å; C303-C345 WeakPolarHBondContact SG-CB 2.96Å; C303-C345 CovalentContact SG-SG 2.07Å; C303-C345 PolarHBondContact SG-SG 3.43Å; P327-C345 HydrophobicContact CB-CB 4.04Å; R328-C345 CarbonylContact O-C 3.52Å; R328-C345 VanDerWaalsContact O-CA 3.27Å; R328-C345 WeakPolarHBondContact O-CA 3.23Å; D342-C345 PolarHBondContact O-N 2.94Å
346	E	53.7	Low	54.6	Low	74 Å²	74	84.8 Å²	84.8	35%	0.346	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	147.8	168.2	62	-176.7	-170.9	0	0	110.4	R328 N330	R328-E346 HydrophobicContact CB-CG 4.24Å; R328-E346 PolarHBondContact N-O 3.33Å; R328-E346 PolarHBondContact O-N 3.42Å; N330-E346 HydrophobicContact CB-CB 4.19Å; N330-E346 HydrophobicContact CB-CG 4.09Å
347	Q	51.2	Low	54.4	Low	100 Å²	100	83.7 Å²	83.7	47%	0.467	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127	171	-78.2	179.2	-11.7	0	0	109	M308 L325	M308-Q347 HydrophobicContact CE-CG 3.82Å; L325-Q347 HydrophobicContact CB-CB 4.44Å; L325-Q347 HydrophobicContact CB-CG 4.35Å; L325-Q347 HydrophobicContact CD1-CB 4.46Å; L325-Q347 HydrophobicContact CD1-CG 4.35Å; L325-Q347 HydrophobicContact CD2-CB 4.3Å
348	H	54.1	Low	54.5	Low	79 Å²	79	79.8 Å²	79.8	37%	0.366	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130	175.1	-162.9	-65.9	0	0	0	110.6	R326 E350	R326-H348 PolarHBondContact N-O 2.9Å; R326-H348 PolarHBondContact O-N 3.43Å; H348-E350 PolarHBondContact O-N 3.27Å
349	D	54	Low	55.4	Low	89 Å²	89	75.1 Å²	75.1	48%	0.476	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124	173.3	-66.4	-20.1	0	0	0	110.5	L323 L325	L323-D349 HydrophobicContact CD2-CB 3.59Å; L325-D349 WeakPolarHBondContact CD2-OD1 3.41Å
350	E	52.4	Low	55.8	Low	56 Å²	56	71.3 Å²	71.3	26%	0.262	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.5	169.6	-168.6	165.2	-162.9	0	0	109.3	W307 R324 H348 V352	W307-E350 WeakPolarHBondContact CH2-OE2 3.32Å; W307-E350 WeakPolarHBondContact CZ3-OE2 3.45Å; R324-E350 HydrophobicContact CB-CB 4.32Å; R324-E350 PolarHBondContact O-N 2.92Å; H348-E350 PolarHBondContact O-N 3.27Å; E350-V352 HydrophobicContact CG-CG2 4.1Å; E350-V352 PolarHBondContact O-N 3.04Å
351	K	54.2	Low	55.9	Low	148 Å²	148	69.6 Å²	69.6	64%	0.643	34%	0.335	S	S	*	.			trans	-77	100.2	168.4	-68.8	-177.1	-178.6	178.7	0	107.9	F353	K351-F353 HydrophobicContact CB-CD2 4.29Å; K351-F353 HydrophobicContact CB-CE2 3.82Å; K351-F353 HydrophobicContact CB-CZ 4.15Å; K351-F353 HydrophobicContact CD-CE2 4.47Å; K351-F353 HydrophobicContact CD-CZ 4.05Å; K351-F353 WeakPolarHBondContact O-CD2 3.05Å; K351-F353 PolarHBondContact O-N 3.37Å
352	V	52.8	Low	55.7	Low	51 Å²	51	71.3 Å²	71.3	31%	0.309	35%	0.352	S	S	.	.			trans	-86	104.2	169.5	-167	0	0	0	0	107.3	E350 D354 D355	E350-V352 HydrophobicContact CG-CG2 4.1Å; E350-V352 PolarHBondContact O-N 3.04Å; V352-D354 PolarHBondContact O-N 3.47Å; V352-D355 HydrophobicContact CB-CB 3.95Å; V352-D355 HydrophobicContact CG1-CB 3.55Å; V352-D355 VanDerWaalsContact CG1-CG 3.43Å; V352-D355 WeakPolarHBondContact CG1-OD2 3.38Å
353	F	51.4	Low	55.4	Low	181 Å²	181	73.9 Å²	73.9	79%	0.794	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.9	-174.4	-74.6	-87	0	0	0	113.5	K351	K351-F353 HydrophobicContact CB-CD2 4.29Å; K351-F353 HydrophobicContact CB-CE2 3.82Å; K351-F353 HydrophobicContact CB-CZ 4.15Å; K351-F353 HydrophobicContact CD-CE2 4.47Å; K351-F353 HydrophobicContact CD-CZ 4.05Å; K351-F353 WeakPolarHBondContact O-CD2 3.05Å; K351-F353 PolarHBondContact O-N 3.37Å
354	D	57.3	Low	55	Low	130 Å²	130	71 Å²	71	70%	0.695	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	0.5	-173.6	-67	-35.2	0	0	0	114.9	V352	V352-D354 PolarHBondContact O-N 3.47Å
355	D	56.8	Low	54.7	Low	54 Å²	54	73.4 Å²	73.4	29%	0.289	37%	0.369	S	S	.	.			trans	-100.1	120.9	-178.7	-84.3	-2.1	0	0	0	111.3	V352 Y360	V352-D355 HydrophobicContact CB-CB 3.95Å; V352-D355 HydrophobicContact CG1-CB 3.55Å; V352-D355 VanDerWaalsContact CG1-CG 3.43Å; V352-D355 WeakPolarHBondContact CG1-OD2 3.38Å; D355-Y360 HydrophobicContact CB-CE2 4.02Å; D355-Y360 WeakPolarHBondContact OD2-CE2 3.23Å; D355-Y360 PolarHBondContact OD2-OH 2.94Å
356	F	61.1	Low	55	Low	128 Å²	128	75.1 Å²	75.1	56%	0.561	38%	0.376	S	S	*	.			trans	-84.5	134.9	171.9	-65.2	-79.1	0	0	0	109	E358 D359	F356-E358 WeakPolarHBondContact CB-OE2 3.19Å; F356-E358 PolarHBondContact O-N 2.97Å; F356-E358 VanDerWaalsContact O-N 3.12Å; F356-D359 WeakPolarHBondContact O-CB 3.33Å; F356-D359 PolarHBondContact O-N 3.47Å
357	C	53.3	Low	55.9	Low	27 Å²	27	71.9 Å²	71.9	18%	0.182	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-57.6	-30.3	178.6	-62.4	0	0	0	0	111.2	T321 D359 Y360	T321-C357 VanDerWaalsContact CB-SG 3.53Å; T321-C357 PolarHBondContact OG1-SG 2.82Å; T321-C357 VanDerWaalsContact OG1-SG 3.41Å; C357-D359 PolarHBondContact O-N 3.32Å; C357-Y360 PolarHBondContact O-N 3.03Å
358	E	59.1	Low	57.1	Low	71 Å²	71	68.3 Å²	68.3	33%	0.332	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-65.2	-17.3	176.8	-62.9	83.2	-180	0	0	114.4	F356 Y360 R386	F356-E358 WeakPolarHBondContact CB-OE2 3.19Å; F356-E358 PolarHBondContact O-N 2.97Å; F356-E358 VanDerWaalsContact O-N 3.12Å; E358-Y360 VanDerWaalsContact C-N 3.35Å; E358-R386 HydrophobicContact CB-CG 3.98Å; E358-R386 VanDerWaalsContact CG-NH2 3.33Å
359	D	68	Low	58.5	Low	4 Å²	4	68.2 Å²	68.2	2%	0.021	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-85.5	-6.7	177.8	-73.8	-18.8	0	0	0	112.6	F356 C357 S367 L368 R369	F356-D359 WeakPolarHBondContact O-CB 3.33Å; F356-D359 PolarHBondContact O-N 3.47Å; C357-D359 PolarHBondContact O-N 3.32Å; D359-S367 CarbonylContact O-C 3.56Å; D359-S367 WeakPolarHBondContact O-CA 3.41Å; D359-S367 PolarHBondContact O-OG 3.1Å; D359-L368 WeakPolarHBondContact O-CB 3.42Å; D359-L368 PolarHBondContact O-N 2.74Å; D359-R369 HydrophobicContact CB-CB 4.5Å; D359-R369 IonicContact OD2-CZ 3.21Å; D359-R369 IonicContact OD2-NE 2.9Å; D359-R369 PolarHBondContact OD2-NE 3.02Å; D359-R369 IonicContact OD2-NH2 2.69Å; D359-R369 PolarHBondContact OD2-NH2 2.95Å
360	Y	61.5	Low	59.9	Low	25 Å²	25	68.9 Å²	68.9	10%	0.098	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-102.6	144.3	-179.1	-76.3	-96	0	0	0	111.7	W310 R324 D355 C357 E358 I366	W310-Y360 HydrophobicContact CZ2-CD2 4.5Å; W310-Y360 HydrophobicContact CZ2-CG 4.17Å; R324-Y360 PolarHBondContact NH1-OH 3.49Å; D355-Y360 HydrophobicContact CB-CE2 4.02Å; D355-Y360 WeakPolarHBondContact OD2-CE2 3.23Å; D355-Y360 PolarHBondContact OD2-OH 2.94Å; C357-Y360 PolarHBondContact O-N 3.03Å; E358-Y360 VanDerWaalsContact C-N 3.35Å; Y360-I366 WeakPolarHBondContact CA-O 3.37Å
361	I	59.1	Low	61.4	Low	14 Å²	14	66.9 Å²	66.9	7%	0.072	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65.7	128.2	167.6	-66.9	174.1	0	0	0	107.8	N363 T364 I366 L368 L398 L399	I361-N363 PolarHBondContact O-N 3.15Å; I361-T364 HydrophobicContact CB-CG2 4.29Å; I361-T364 VanDerWaalsContact CB-OG1 3.24Å; I361-T364 WeakPolarHBondContact CB-OG1 3.42Å; I361-T364 HydrophobicContact CG2-CG2 3.68Å; I361-T364 PolarHBondContact O-N 2.85Å; I361-T364 PolarHBondContact O-OG1 3.27Å; I361-I366 HydrophobicContact CD1-CB 4.23Å; I361-I366 HydrophobicContact CD1-CG2 3.96Å; I361-I366 PolarHBondContact N-O 3.35Å; I361-L368 HydrophobicContact CD1-CD2 3.84Å; I361-L368 HydrophobicContact CD1-CG 4.5Å; I361-L368 HydrophobicContact CG1-CD1 4.18Å; I361-L368 HydrophobicContact CG1-CD2 3.54Å; I361-L368 HydrophobicContact CG1-CG 3.72Å; I361-L398 HydrophobicContact CB-CD1 4.26Å; I361-L398 HydrophobicContact CD1-CB 3.84Å; I361-L398 HydrophobicContact CD1-CD1 4.08Å; I361-L398 HydrophobicContact CG1-CB 4.37Å; I361-L398 HydrophobicContact CG1-CD1 4.02Å; I361-L398 HydrophobicContact CG2-CD1 3.39Å; I361-L399 HydrophobicContact CD1-CD1 4.45Å; I361-L399 HydrophobicContact CD1-CD2 4.18Å; I361-L399 HydrophobicContact CD1-CG 4.12Å
362	P	50.2	Low	63.1	Low	101 Å²	101	66.7 Å²	66.7	66%	0.656	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	134.8	-179.7	-28.8	35	0	0	0	112.5	T364	P362-T364 PolarHBondContact O-N 2.8Å
363	N	44.9	Very low	64.8	Low	92 Å²	92	65 Å²	65	49%	0.492	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	15.3	-179.1	-52.5	-42.4	0	0	0	115.8	I361	I361-N363 PolarHBondContact O-N 3.15Å
364	T	47.8	Very low	66.6	Low	35 Å²	35	59.3 Å²	59.3	22%	0.215	32%	0.323	C	S	.	.	S	Bend	trans	-125.9	160.7	174.5	77.9	0	0	0	0	112.3	W310 I361 P362 I366	W310-T364 PolarHBondContact NE1-O 2.89Å; I361-T364 HydrophobicContact CB-CG2 4.29Å; I361-T364 VanDerWaalsContact CB-OG1 3.24Å; I361-T364 WeakPolarHBondContact CB-OG1 3.42Å; I361-T364 HydrophobicContact CG2-CG2 3.68Å; I361-T364 PolarHBondContact O-N 2.85Å; I361-T364 PolarHBondContact O-OG1 3.27Å; P362-T364 PolarHBondContact O-N 2.8Å; T364-I366 PolarHBondContact O-N 2.85Å; T364-I366 WeakPolarHBondContact OG1-CB 3.38Å; T364-I366 PolarHBondContact OG1-N 3.32Å
365	N	51.7	Low	68.1	Low	58 Å²	58	55.6 Å²	55.6	31%	0.31	30%	0.303	S	S	.	.	S	Bend	trans	-83.5	9.2	169.7	65	6.7	0	0	0	113.3	W307	W307-N365 HydrophobicContact CB-CB 3.8Å; W307-N365 HydrophobicContact CG-CB 3.98Å
366	I	60.2	Low	69.6	Low	61 Å²	61	53.7 Å²	53.7	31%	0.313	30%	0.297	S	S	.	.			trans	-88.1	111.8	-174.6	-57	174.3	0	0	0	108.7	Y360 I361 T364 A371 L399	Y360-I366 WeakPolarHBondContact CA-O 3.37Å; I361-I366 HydrophobicContact CD1-CB 4.23Å; I361-I366 HydrophobicContact CD1-CG2 3.96Å; I361-I366 PolarHBondContact N-O 3.35Å; T364-I366 PolarHBondContact O-N 2.85Å; T364-I366 WeakPolarHBondContact OG1-CB 3.38Å; T364-I366 PolarHBondContact OG1-N 3.32Å; I366-A371 HydrophobicContact CG2-CB 3.59Å; I366-L399 HydrophobicContact CG2-CD1 4.28Å
367	S	73.8	Confident	71	Confident	5 Å²	5	52.2 Å²	52.2	4%	0.035	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-80.6	120.7	170.4	-178.1	0	0	0	0	110	D359 R369 T370 A371	D359-S367 CarbonylContact O-C 3.56Å; D359-S367 WeakPolarHBondContact O-CA 3.41Å; D359-S367 PolarHBondContact O-OG 3.1Å; S367-R369 PolarHBondContact O-N 2.9Å; S367-R369 WeakPolarHBondContact OG-CB 3.38Å; S367-R369 PolarHBondContact OG-N 3.39Å; S367-T370 WeakPolarHBondContact CB-OG1 3.26Å; S367-T370 PolarHBondContact O-N 2.86Å; S367-T370 PolarHBondContact O-OG1 3.29Å; S367-A371 WeakPolarHBondContact O-CB 3.45Å; S367-A371 PolarHBondContact O-N 3Å
368	L	76.5	Confident	72.7	Confident	25 Å²	25	55 Å²	55	13%	0.131	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.5	171	-68.1	167.9	0	0	0	112	D359 I361 Y387 L399	D359-L368 WeakPolarHBondContact O-CB 3.42Å; D359-L368 PolarHBondContact O-N 2.74Å; I361-L368 HydrophobicContact CD1-CD2 3.84Å; I361-L368 HydrophobicContact CD1-CG 4.5Å; I361-L368 HydrophobicContact CG1-CD1 4.18Å; I361-L368 HydrophobicContact CG1-CD2 3.54Å; I361-L368 HydrophobicContact CG1-CG 3.72Å; L368-Y387 WeakPolarHBondContact CD1-O 3.5Å; L368-L399 HydrophobicContact CD2-CD2 4.14Å
369	R	82.3	Confident	74.1	Confident	77 Å²	77	53.2 Å²	53.2	29%	0.291	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-46.9	171.3	-179.2	-178.5	-67.6	-123.2	8.7	111.2	D359 S367 K378 Y387	D359-R369 HydrophobicContact CB-CB 4.5Å; D359-R369 IonicContact OD2-CZ 3.21Å; D359-R369 IonicContact OD2-NE 2.9Å; D359-R369 PolarHBondContact OD2-NE 3.02Å; D359-R369 IonicContact OD2-NH2 2.69Å; D359-R369 PolarHBondContact OD2-NH2 2.95Å; S367-R369 PolarHBondContact O-N 2.9Å; S367-R369 WeakPolarHBondContact OG-CB 3.38Å; S367-R369 PolarHBondContact OG-N 3.39Å; R369-K378 PolarHBondContact O-NZ 3.06Å; R369-Y387 HydrophobicContact CB-CD2 3.64Å; R369-Y387 HydrophobicContact CB-CE2 3.57Å; R369-Y387 HydrophobicContact CB-CG 4.21Å; R369-Y387 HydrophobicContact CG-CD2 4.12Å; R369-Y387 HydrophobicContact CG-CE1 4.43Å; R369-Y387 HydrophobicContact CG-CE2 3.5Å
370	T	83.9	Confident	75	Confident	104 Å²	104	57.8 Å²	57.8	64%	0.638	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-26.3	-173.4	60.7	0	0	0	0	114.3	S367 K378	S367-T370 WeakPolarHBondContact CB-OG1 3.26Å; S367-T370 PolarHBondContact O-N 2.86Å; S367-T370 PolarHBondContact O-OG1 3.29Å; T370-K378 PolarHBondContact O-NZ 3.16Å
371	A	83.7	Confident	75.6	Confident	13 Å²	13	58.6 Å²	58.6	11%	0.107	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-60.2	150	-177.1	0	0	0	0	0	112.8	I366 S367 K378 L399	I366-A371 HydrophobicContact CG2-CB 3.59Å; S367-A371 WeakPolarHBondContact O-CB 3.45Å; S367-A371 PolarHBondContact O-N 3Å; A371-K378 WeakPolarHBondContact O-CE 3.31Å; A371-K378 PolarHBondContact O-NZ 2.92Å; A371-L399 HydrophobicContact CB-CD1 4.36Å; A371-L399 HydrophobicContact CB-CD2 3.63Å
372	I	89.4	Confident	76.5	Confident	144 Å²	144	63 Å²	63	74%	0.738	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-95.7	133	177.6	-60.5	173.8	0	0	0	108.5
373	C	88.6	Confident	77.3	Confident	15 Å²	15	68.5 Å²	68.5	10%	0.101	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-77	121.1	171.1	-50.3	0	0	0	0	108.7	G376 C389 L399	C373-G376 WeakPolarHBondContact CB-O 3.27Å; C373-C389 VanDerWaalsContact CA-SG 3.53Å; C373-C389 HydrophobicContact CB-CB 3.7Å; C373-C389 WeakPolarHBondContact CB-SG 3.5Å; C373-C389 VanDerWaalsContact SG-CA 3.52Å; C373-C389 WeakPolarHBondContact SG-CB 3.32Å; C373-C389 CovalentContact SG-SG 2.03Å; C373-C389 PolarHBondContact SG-SG 3.06Å; C373-L399 CarbonylContact C-O 3.38Å; C373-L399 WeakPolarHBondContact CA-O 3.49Å
374	A	89.9	Confident	78.4	Confident	62 Å²	62	67.3 Å²	67.3	51%	0.512	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-47.9	-175.6	0	0	0	0	0	112	L399 E401	A374-L399 PolarHBondContact N-O 3.42Å; A374-E401 HydrophobicContact CB-CB 4.43Å
375	N	88.6	Confident	79.6	Confident	52 Å²	52	71.3 Å²	71.3	28%	0.278	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	56.5	178.9	-57.1	-77.3	0	0	0	110.7	F392 F395 C400	N375-F392 HydrophobicContact CB-CD2 4.24Å; N375-F392 WeakPolarHBondContact O-CD2 3.47Å; N375-F392 WeakPolarHBondContact O-CG 3.4Å; N375-F392 PolarHBondContact O-N 3.28Å; N375-F395 HydrophobicContact CB-CB 4.01Å; N375-F395 HydrophobicContact CB-CD1 3.65Å; N375-F395 HydrophobicContact CB-CD2 3.66Å; N375-F395 HydrophobicContact CB-CE1 3.97Å; N375-F395 HydrophobicContact CB-CE2 3.98Å; N375-F395 HydrophobicContact CB-CG 3.48Å; N375-F395 VanDerWaalsContact CB-CG 3.48Å; N375-F395 HydrophobicContact CB-CZ 4.12Å; N375-F395 VanDerWaalsContact CG-CE1 3.45Å; N375-F395 WeakPolarHBondContact ND2-CD1 3.24Å; N375-F395 VanDerWaalsContact ND2-CE1 3.33Å; N375-F395 WeakPolarHBondContact ND2-CE1 3.42Å; N375-C400 HydrophobicContact CB-CB 4.33Å; N375-C400 PolarHBondContact N-O 2.86Å; N375-C400 PolarHBondContact ND2-O 3.38Å; N375-C400 VanDerWaalsContact ND2-O 3.08Å; N375-C400 WeakPolarHBondContact O-CB 3.09Å
376	G	87.6	Confident	80.4	Confident	14 Å²	14	73.8 Å²	73.8	14%	0.144	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	178.2	-179.7	0	0	0	0	0	113.5	C373 D390	C373-G376 WeakPolarHBondContact CB-O 3.27Å; G376-D390 CarbonylContact C-O 3.58Å; G376-D390 WeakPolarHBondContact CA-O 3.38Å
377	I	90.1	Very high	81.5	Confident	97 Å²	97	73.1 Å²	73.1	50%	0.497	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129	177.8	-58.5	174.5	0	0	0	108.9	S379 D390 F392	I377-S379 PolarHBondContact O-N 2.85Å; I377-D390 PolarHBondContact N-O 3.36Å; I377-D390 PolarHBondContact O-N 2.99Å; I377-F392 HydrophobicContact CD1-CE1 4.16Å; I377-F392 HydrophobicContact CG1-CE1 3.8Å; I377-F392 HydrophobicContact CG1-CZ 4.14Å
378	K	89.8	Confident	81.8	Confident	85 Å²	85	76.9 Å²	76.9	37%	0.37	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.6	172.2	-176.6	-177.4	-66.1	-178.5	0	109.5	R369 T370 A371 Y387	R369-K378 PolarHBondContact O-NZ 3.06Å; T370-K378 PolarHBondContact O-NZ 3.16Å; A371-K378 WeakPolarHBondContact O-CE 3.31Å; A371-K378 PolarHBondContact O-NZ 2.92Å; K378-Y387 HydrophobicContact CD-CD1 4.3Å; K378-Y387 HydrophobicContact CG-CD1 4.36Å
379	S	88.6	Confident	82.2	Confident	34 Å²	34	76.6 Å²	76.6	24%	0.238	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	162.9	-176.9	-70	0	0	0	0	110.9	I377 Y387 F388	I377-S379 PolarHBondContact O-N 2.85Å; S379-Y387 WeakPolarHBondContact O-CA 3.12Å; S379-F388 VanDerWaalsContact CB-CZ 3.47Å; S379-F388 PolarHBondContact N-O 3.19Å; S379-F388 PolarHBondContact O-N 3.1Å; S379-F388 VanDerWaalsContact O-O 3.14Å
380	R	86.4	Confident	82.2	Confident	100 Å²	100	76.1 Å²	76.1	38%	0.377	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.5	174.5	-172.7	-171.6	-97	-117.3	15.1	109	I382 K385 R386 Y387	R380-I382 PolarHBondContact O-N 3.38Å; R380-K385 WeakPolarHBondContact CG-O 3.3Å; R380-K385 VanDerWaalsContact CZ-O 3.3Å; R380-K385 PolarHBondContact NH1-O 3.09Å; R380-R386 CarbonylContact C-O 3.54Å; R380-R386 WeakPolarHBondContact CA-O 3.23Å; R380-Y387 HydrophobicContact CB-CD1 4.37Å; R380-Y387 HydrophobicContact CB-CE1 4.48Å; R380-Y387 VanDerWaalsContact CZ-CE2 3.42Å; R380-Y387 VanDerWaalsContact NE-CZ 3.28Å; R380-Y387 PolarHBondContact NE-OH 2.04Å; R380-Y387 PolarHBondContact NH2-OH 3.46Å
381	D	74	Confident	82	Confident	43 Å²	43	72.9 Å²	72.9	23%	0.23	36%	0.361	C	S	.	.			trans	-66.9	129.5	179.9	177.5	-85.6	0	0	0	110.2	R383 T384 K385 R386 F388	D381-R383 VanDerWaalsContact C-N 3.26Å; D381-R383 PolarHBondContact O-N 2.95Å; D381-R383 WeakPolarHBondContact OD1-CA 3.32Å; D381-R383 WeakPolarHBondContact OD1-CB 3.14Å; D381-R383 PolarHBondContact OD1-N 2.81Å; D381-T384 WeakPolarHBondContact CB-OG1 3.22Å; D381-T384 VanDerWaalsContact CG-OG1 3.3Å; D381-T384 PolarHBondContact OD1-N 2.97Å; D381-T384 PolarHBondContact OD1-OG1 3.21Å; D381-K385 WeakPolarHBondContact O-CA 3.46Å; D381-K385 PolarHBondContact O-N 3.06Å; D381-R386 PolarHBondContact N-O 2.82Å; D381-F388 HydrophobicContact CB-CD1 4.31Å; D381-F388 HydrophobicContact CB-CE1 4.02Å
382	I	78.3	Confident	82	Confident	107 Å²	107	77.4 Å²	77.4	55%	0.549	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.1	-171.8	-62.7	172.1	0	0	0	111.5	R380 K385	R380-I382 PolarHBondContact O-N 3.38Å; I382-K385 WeakPolarHBondContact O-CE 3.48Å; I382-K385 PolarHBondContact O-NZ 2.88Å
383	R	67.8	Low	81.1	Confident	215 Å²	215	74.3 Å²	74.3	81%	0.811	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-50.2	-172.1	-178.5	176.1	62.5	-164	-1.5	112.3	D381	D381-R383 VanDerWaalsContact C-N 3.26Å; D381-R383 PolarHBondContact O-N 2.95Å; D381-R383 WeakPolarHBondContact OD1-CA 3.32Å; D381-R383 WeakPolarHBondContact OD1-CB 3.14Å; D381-R383 PolarHBondContact OD1-N 2.81Å
384	T	67.1	Low	80	Confident	68 Å²	68	74 Å²	74	42%	0.417	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.1	-177.2	63.4	0	0	0	0	112.7	D381 R386	D381-T384 WeakPolarHBondContact CB-OG1 3.22Å; D381-T384 VanDerWaalsContact CG-OG1 3.3Å; D381-T384 PolarHBondContact OD1-N 2.97Å; D381-T384 PolarHBondContact OD1-OG1 3.21Å; T384-R386 PolarHBondContact O-N 2.78Å; T384-R386 VanDerWaalsContact O-N 3.11Å; T384-R386 PolarHBondContact OG1-N 3.21Å
385	K	74.2	Confident	79.2	Confident	119 Å²	119	74.3 Å²	74.3	52%	0.517	36%	0.359	S	S	.	.			trans	59.9	12.7	-174.3	-57.1	-56.6	-172.6	-158.1	0	113.9	R380 D381 I382	R380-K385 WeakPolarHBondContact CG-O 3.3Å; R380-K385 VanDerWaalsContact CZ-O 3.3Å; R380-K385 PolarHBondContact NH1-O 3.09Å; D381-K385 WeakPolarHBondContact O-CA 3.46Å; D381-K385 PolarHBondContact O-N 3.06Å; I382-K385 WeakPolarHBondContact O-CE 3.48Å; I382-K385 PolarHBondContact O-NZ 2.88Å
386	R	68.3	Low	78.3	Confident	110 Å²	110	74.9 Å²	74.9	42%	0.415	37%	0.365	S	S	.	.			trans	-80.4	145.2	179.7	-65.9	-175.7	179.9	171.5	-4.5	112	E358 R380 D381 T384	E358-R386 HydrophobicContact CB-CG 3.98Å; E358-R386 VanDerWaalsContact CG-NH2 3.33Å; R380-R386 CarbonylContact C-O 3.54Å; R380-R386 WeakPolarHBondContact CA-O 3.23Å; D381-R386 PolarHBondContact N-O 2.82Å; T384-R386 PolarHBondContact O-N 2.78Å; T384-R386 VanDerWaalsContact O-N 3.11Å; T384-R386 PolarHBondContact OG1-N 3.21Å
387	Y	82.1	Confident	77.2	Confident	46 Å²	46	75.3 Å²	75.3	18%	0.18	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.1	171.5	-70.2	-89.2	0	0	0	111.3	L368 R369 K378 S379 R380	L368-Y387 WeakPolarHBondContact CD1-O 3.5Å; R369-Y387 HydrophobicContact CB-CD2 3.64Å; R369-Y387 HydrophobicContact CB-CE2 3.57Å; R369-Y387 HydrophobicContact CB-CG 4.21Å; R369-Y387 HydrophobicContact CG-CD2 4.12Å; R369-Y387 HydrophobicContact CG-CE1 4.43Å; R369-Y387 HydrophobicContact CG-CE2 3.5Å; K378-Y387 HydrophobicContact CD-CD1 4.3Å; K378-Y387 HydrophobicContact CG-CD1 4.36Å; S379-Y387 WeakPolarHBondContact O-CA 3.12Å; R380-Y387 HydrophobicContact CB-CD1 4.37Å; R380-Y387 HydrophobicContact CB-CE1 4.48Å; R380-Y387 VanDerWaalsContact CZ-CE2 3.42Å; R380-Y387 VanDerWaalsContact NE-CZ 3.28Å; R380-Y387 PolarHBondContact NE-OH 2.04Å; R380-Y387 PolarHBondContact NH2-OH 3.46Å
388	F	81.4	Confident	76.4	Confident	85 Å²	85	75.6 Å²	75.6	37%	0.373	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	164.2	172.1	67.1	-85.5	0	0	0	110.5	S379 D381 D390	S379-F388 VanDerWaalsContact CB-CZ 3.47Å; S379-F388 PolarHBondContact N-O 3.19Å; S379-F388 PolarHBondContact O-N 3.1Å; S379-F388 VanDerWaalsContact O-O 3.14Å; D381-F388 HydrophobicContact CB-CD1 4.31Å; D381-F388 HydrophobicContact CB-CE1 4.02Å; F388-D390 HydrophobicContact CE2-CB 4.11Å
389	C	83.3	Confident	76.1	Confident	19 Å²	19	73 Å²	73	13%	0.128	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.5	171.2	-69.2	0	0	0	0	109.9	C373 C400	C373-C389 VanDerWaalsContact CA-SG 3.53Å; C373-C389 HydrophobicContact CB-CB 3.7Å; C373-C389 WeakPolarHBondContact CB-SG 3.5Å; C373-C389 VanDerWaalsContact SG-CA 3.52Å; C373-C389 WeakPolarHBondContact SG-CB 3.32Å; C373-C389 CovalentContact SG-SG 2.03Å; C373-C389 PolarHBondContact SG-SG 3.06Å; C389-C400 WeakPolarHBondContact CB-SG 3.07Å
390	D	82.4	Confident	75.9	Confident	66 Å²	66	71.4 Å²	71.4	35%	0.353	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	103.7	171.5	-170.7	9.7	0	0	0	108.7	G376 I377 F388	G376-D390 CarbonylContact C-O 3.58Å; G376-D390 WeakPolarHBondContact CA-O 3.38Å; I377-D390 PolarHBondContact N-O 3.36Å; I377-D390 PolarHBondContact O-N 2.99Å; F388-D390 HydrophobicContact CE2-CB 4.11Å
391	C	81.3	Confident	75.6	Confident	37 Å²	37	71.1 Å²	71.1	25%	0.25	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	137.9	-169.5	-57.2	0	0	0	0	112.5	F395 C400	C391-F395 HydrophobicContact CB-CB 4.36Å; C391-F395 WeakPolarHBondContact CB-O 2.91Å; C391-C400 WeakPolarHBondContact CA-SG 2.96Å; C391-C400 HydrophobicContact CB-CB 3.7Å; C391-C400 WeakPolarHBondContact CB-SG 3.45Å; C391-C400 WeakPolarHBondContact SG-CA 3.17Å; C391-C400 WeakPolarHBondContact SG-CB 3.45Å; C391-C400 CovalentContact SG-SG 2.03Å; C391-C400 PolarHBondContact SG-SG 3.26Å
392	F	82.1	Confident	75.6	Confident	107 Å²	107	74.1 Å²	74.1	47%	0.469	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-62.1	153.4	169.7	-58.8	-38.5	0	0	0	110.6	N375 I377 G394 F395	N375-F392 HydrophobicContact CB-CD2 4.24Å; N375-F392 WeakPolarHBondContact O-CD2 3.47Å; N375-F392 WeakPolarHBondContact O-CG 3.4Å; N375-F392 PolarHBondContact O-N 3.28Å; I377-F392 HydrophobicContact CD1-CE1 4.16Å; I377-F392 HydrophobicContact CG1-CE1 3.8Å; I377-F392 HydrophobicContact CG1-CZ 4.14Å; F392-G394 PolarHBondContact O-N 3.25Å; F392-F395 HydrophobicContact CB-CD2 4.27Å; F392-F395 PolarHBondContact O-N 3.03Å
393	S	72.1	Confident	75.3	Confident	80 Å²	80	73.3 Å²	73.3	56%	0.559	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	129.6	-179.8	-53.9	0	0	0	0	111.6
394	G	64.8	Low	75.3	Confident	8 Å²	8	65.8 Å²	65.8	8%	0.082	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	5.5	-176.7	0	0	0	0	0	114.7	F392 S403 I404 G421	F392-G394 PolarHBondContact O-N 3.25Å; G394-S403 CarbonylContact O-C 3.52Å; G394-S403 WeakPolarHBondContact O-CA 3.43Å; G394-I404 PolarHBondContact O-N 3.25Å; G394-G421 VanDerWaalsContact CA-C 3.41Å; G394-G421 WeakPolarHBondContact CA-O 3.43Å
395	F	73.1	Confident	75.5	Confident	68 Å²	68	66.7 Å²	66.7	30%	0.298	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.6	173.7	-61.5	-88.6	0	0	0	112.1	N375 C391 F392 C400 Q402	N375-F395 HydrophobicContact CB-CB 4.01Å; N375-F395 HydrophobicContact CB-CD1 3.65Å; N375-F395 HydrophobicContact CB-CD2 3.66Å; N375-F395 HydrophobicContact CB-CE1 3.97Å; N375-F395 HydrophobicContact CB-CE2 3.98Å; N375-F395 HydrophobicContact CB-CG 3.48Å; N375-F395 VanDerWaalsContact CB-CG 3.48Å; N375-F395 HydrophobicContact CB-CZ 4.12Å; N375-F395 VanDerWaalsContact CG-CE1 3.45Å; N375-F395 WeakPolarHBondContact ND2-CD1 3.24Å; N375-F395 VanDerWaalsContact ND2-CE1 3.33Å; N375-F395 WeakPolarHBondContact ND2-CE1 3.42Å; C391-F395 HydrophobicContact CB-CB 4.36Å; C391-F395 WeakPolarHBondContact CB-O 2.91Å; F392-F395 HydrophobicContact CB-CD2 4.27Å; F392-F395 PolarHBondContact O-N 3.03Å; F395-C400 HydrophobicContact CB-CB 4.45Å; F395-Q402 CarbonylContact C-O 3.51Å; F395-Q402 WeakPolarHBondContact CA-O 3.44Å
396	T	70.1	Confident	75.1	Confident	65 Å²	65	61.8 Å²	61.8	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	-177.2	179.5	-168.6	0	0	0	0	110	C400 E401 Q402 I404	T396-C400 CarbonylContact O-C 3.5Å; T396-C400 VanDerWaalsContact O-CA 3.26Å; T396-C400 WeakPolarHBondContact O-CA 2.97Å; T396-E401 PolarHBondContact O-N 3.27Å; T396-Q402 HydrophobicContact CG2-CB 3.78Å; T396-Q402 PolarHBondContact N-O 2.8Å; T396-Q402 WeakPolarHBondContact O-CB 3.43Å; T396-Q402 PolarHBondContact O-N 2.95Å; T396-I404 HydrophobicContact CG2-CG1 3.85Å
397	G	64.2	Low	75.5	Confident	23 Å²	23	57.5 Å²	57.5	24%	0.237	31%	0.314	C	S	.	.	S	Bend	trans	95.6	162.6	-171.3	0	0	0	0	0	112.1	L399 C400	G397-L399 PolarHBondContact O-N 3.09Å; G397-C400 PolarHBondContact O-N 2.84Å
398	L	73.5	Confident	75.1	Confident	102 Å²	102	58.4 Å²	58.4	53%	0.534	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.3	-175.7	-70.5	171.3	0	0	0	112.9	I361	I361-L398 HydrophobicContact CB-CD1 4.26Å; I361-L398 HydrophobicContact CD1-CB 3.84Å; I361-L398 HydrophobicContact CD1-CD1 4.08Å; I361-L398 HydrophobicContact CG1-CB 4.37Å; I361-L398 HydrophobicContact CG1-CD1 4.02Å; I361-L398 HydrophobicContact CG2-CD1 3.39Å
399	L	83.1	Confident	74.8	Confident	31 Å²	31	57.9 Å²	57.9	16%	0.162	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	16.1	176.1	-58.5	178.3	0	0	0	111.9	I361 I366 L368 A371 C373 A374 G397 E401	I361-L399 HydrophobicContact CD1-CD1 4.45Å; I361-L399 HydrophobicContact CD1-CD2 4.18Å; I361-L399 HydrophobicContact CD1-CG 4.12Å; I366-L399 HydrophobicContact CG2-CD1 4.28Å; L368-L399 HydrophobicContact CD2-CD2 4.14Å; A371-L399 HydrophobicContact CB-CD1 4.36Å; A371-L399 HydrophobicContact CB-CD2 3.63Å; C373-L399 CarbonylContact C-O 3.38Å; C373-L399 WeakPolarHBondContact CA-O 3.49Å; A374-L399 PolarHBondContact N-O 3.42Å; G397-L399 PolarHBondContact O-N 3.09Å; L399-E401 VanDerWaalsContact C-OE2 3.27Å; L399-E401 WeakPolarHBondContact CA-OE2 3.35Å; L399-E401 WeakPolarHBondContact CB-OE2 3.33Å; L399-E401 PolarHBondContact N-OE2 3.43Å; L399-E401 PolarHBondContact O-N 3.29Å
400	C	83.6	Confident	74.6	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.365	C	S	.	.	S	Bend	trans	57	34	-176.9	-47.5	0	0	0	0	113.4	N375 C389 C391 F395 T396 G397	N375-C400 HydrophobicContact CB-CB 4.33Å; N375-C400 PolarHBondContact N-O 2.86Å; N375-C400 PolarHBondContact ND2-O 3.38Å; N375-C400 VanDerWaalsContact ND2-O 3.08Å; N375-C400 WeakPolarHBondContact O-CB 3.09Å; C389-C400 WeakPolarHBondContact CB-SG 3.07Å; C391-C400 WeakPolarHBondContact CA-SG 2.96Å; C391-C400 HydrophobicContact CB-CB 3.7Å; C391-C400 WeakPolarHBondContact CB-SG 3.45Å; C391-C400 WeakPolarHBondContact SG-CA 3.17Å; C391-C400 WeakPolarHBondContact SG-CB 3.45Å; C391-C400 CovalentContact SG-SG 2.03Å; C391-C400 PolarHBondContact SG-SG 3.26Å; F395-C400 HydrophobicContact CB-CB 4.45Å; T396-C400 CarbonylContact O-C 3.5Å; T396-C400 VanDerWaalsContact O-CA 3.26Å; T396-C400 WeakPolarHBondContact O-CA 2.97Å; G397-C400 PolarHBondContact O-N 2.84Å
401	E	81.5	Confident	74.4	Confident	95 Å²	95	60.9 Å²	60.9	44%	0.444	35%	0.354	S	S	.	.			trans	-85.9	-15.1	-175.8	74.6	-71.8	171.8	0	0	113.6	A374 T396 L399	A374-E401 HydrophobicContact CB-CB 4.43Å; T396-E401 PolarHBondContact O-N 3.27Å; L399-E401 VanDerWaalsContact C-OE2 3.27Å; L399-E401 WeakPolarHBondContact CA-OE2 3.35Å; L399-E401 WeakPolarHBondContact CB-OE2 3.33Å; L399-E401 PolarHBondContact N-OE2 3.43Å; L399-E401 PolarHBondContact O-N 3.29Å
402	Q	72.7	Confident	74.7	Confident	106 Å²	106	60 Å²	60	50%	0.495	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.8	-175.5	-55	179	17.7	0	0	109.9	F395 T396	F395-Q402 CarbonylContact C-O 3.51Å; F395-Q402 WeakPolarHBondContact CA-O 3.44Å; T396-Q402 HydrophobicContact CG2-CB 3.78Å; T396-Q402 PolarHBondContact N-O 2.8Å; T396-Q402 WeakPolarHBondContact O-CB 3.43Å; T396-Q402 PolarHBondContact O-N 2.95Å
403	S	73.3	Confident	75.1	Confident	90 Å²	90	61.9 Å²	61.9	63%	0.629	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.5	167.2	56.5	0	0	0	0	110.1	G394 D405	G394-S403 CarbonylContact O-C 3.52Å; G394-S403 WeakPolarHBondContact O-CA 3.43Å; S403-D405 PolarHBondContact O-N 3.22Å
404	I	66.5	Low	75.9	Confident	57 Å²	57	61.8 Å²	61.8	29%	0.292	35%	0.346	S	S	.	.			trans	-73.1	117.7	174	-61.2	172.8	0	0	0	108.6	G394 T396 S406 N422	G394-I404 PolarHBondContact O-N 3.25Å; T396-I404 HydrophobicContact CG2-CG1 3.85Å; I404-S406 PolarHBondContact O-N 3.45Å; I404-N422 HydrophobicContact CD1-CB 4.28Å
405	D	71.8	Confident	77.1	Confident	86 Å²	86	62.6 Å²	62.6	46%	0.46	36%	0.355	S	S	.	.			trans	-92.4	88.8	165.9	-173.7	-3.1	0	0	0	109.6	S403 C407 A408 N419	S403-D405 PolarHBondContact O-N 3.22Å; D405-C407 PolarHBondContact O-N 2.93Å; D405-C407 WeakPolarHBondContact OD1-CA 3.22Å; D405-C407 WeakPolarHBondContact OD1-CB 3.44Å; D405-C407 PolarHBondContact OD1-N 3.45Å; D405-A408 HydrophobicContact CB-CB 4.07Å; D405-A408 VanDerWaalsContact O-CB 3.25Å; D405-A408 WeakPolarHBondContact O-CB 3.16Å; D405-A408 PolarHBondContact O-N 3.45Å; D405-A408 PolarHBondContact OD1-N 2.96Å; D405-N419 WeakPolarHBondContact CA-ND2 3.01Å; D405-N419 PolarHBondContact OD1-ND2 3.03Å
406	S	65.4	Low	78	Confident	16 Å²	16	68.6 Å²	68.6	11%	0.112	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.7	177	-47.9	0	0	0	0	112.9	I404 N419 N422 H423	I404-S406 PolarHBondContact O-N 3.45Å; S406-N419 VanDerWaalsContact CA-OD1 3.31Å; S406-N419 WeakPolarHBondContact CA-OD1 3.36Å; S406-N419 WeakPolarHBondContact CB-OD1 3.39Å; S406-N419 PolarHBondContact N-OD1 2.71Å; S406-N419 PolarHBondContact OG-OD1 3.23Å; S406-N422 VanDerWaalsContact OG-C 3.24Å; S406-N422 PolarHBondContact OG-O 3.27Å; S406-H423 VanDerWaalsContact CB-O 3.29Å; S406-H423 WeakPolarHBondContact CB-O 3.49Å; S406-H423 PolarHBondContact OG-N 3.26Å; S406-H423 PolarHBondContact OG-O 2.97Å
407	C	77.5	Confident	78.8	Confident	20 Å²	20	67.1 Å²	67.1	14%	0.135	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-10.6	173.3	-71.7	0	0	0	0	113.4	D405 S409 N410 C417 T418 N419	D405-C407 PolarHBondContact O-N 2.93Å; D405-C407 WeakPolarHBondContact OD1-CA 3.22Å; D405-C407 WeakPolarHBondContact OD1-CB 3.44Å; D405-C407 PolarHBondContact OD1-N 3.45Å; C407-S409 PolarHBondContact O-N 2.97Å; C407-N410 PolarHBondContact O-N 3.3Å; C407-C417 WeakPolarHBondContact CA-SG 3.33Å; C407-C417 HydrophobicContact CB-CB 3.87Å; C407-C417 WeakPolarHBondContact CB-SG 3.43Å; C407-C417 VanDerWaalsContact SG-C 3.51Å; C407-C417 WeakPolarHBondContact SG-CB 3.34Å; C407-C417 CovalentContact SG-SG 2.04Å; C407-C417 PolarHBondContact SG-SG 3.32Å; C407-T418 PolarHBondContact SG-N 3.28Å; C407-T418 VanDerWaalsContact SG-N 3.43Å; C407-N419 PolarHBondContact N-OD1 2.91Å
408	A	74.6	Confident	79.7	Confident	66 Å²	66	68.6 Å²	68.6	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.2	-174.7	0	0	0	0	0	113.8	D405 N410	D405-A408 HydrophobicContact CB-CB 4.07Å; D405-A408 VanDerWaalsContact O-CB 3.25Å; D405-A408 WeakPolarHBondContact O-CB 3.16Å; D405-A408 PolarHBondContact O-N 3.45Å; D405-A408 PolarHBondContact OD1-N 2.96Å; A408-N410 VanDerWaalsContact C-N 3.26Å; A408-N410 PolarHBondContact O-N 2.93Å
409	S	73.8	Confident	79.6	Confident	74 Å²	74	67.3 Å²	67.3	52%	0.517	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.3	175.6	56.9	0	0	0	0	114	C407	C407-S409 PolarHBondContact O-N 2.97Å
410	N	80	Confident	78.7	Confident	127 Å²	127	69.7 Å²	69.7	68%	0.679	38%	0.381	S	S	*	.			trans	49.7	59	-174	-63.1	-55.5	0	0	0	113.4	C407 A408 C412	C407-N410 PolarHBondContact O-N 3.3Å; A408-N410 VanDerWaalsContact C-N 3.26Å; A408-N410 PolarHBondContact O-N 2.93Å; N410-C412 VanDerWaalsContact C-N 3.29Å; N410-C412 PolarHBondContact O-N 3.46Å
411	P	78.4	Confident	77.7	Confident	20 Å²	20	71.6 Å²	71.6	13%	0.13	40%	0.401	C	S	.	.			trans	-67.4	-27.8	-175.7	26.8	-33.8	0	0	0	113.3	K413 Y424 N436	P411-K413 PolarHBondContact O-N 3.41Å; P411-Y424 HydrophobicContact CB-CD1 4.08Å; P411-Y424 HydrophobicContact CB-CD2 3.82Å; P411-Y424 HydrophobicContact CB-CE1 3.8Å; P411-Y424 HydrophobicContact CB-CE2 3.53Å; P411-Y424 HydrophobicContact CB-CG 4.1Å; P411-Y424 HydrophobicContact CG-CD1 3.67Å; P411-Y424 HydrophobicContact CG-CD2 3.38Å; P411-Y424 HydrophobicContact CG-CE1 3.94Å; P411-Y424 HydrophobicContact CG-CE2 3.69Å; P411-Y424 HydrophobicContact CG-CG 3.4Å; P411-N436 WeakPolarHBondContact O-CB 3.04Å; P411-N436 PolarHBondContact O-OD1 2.67Å
412	C	87.2	Confident	76.4	Confident	18 Å²	18	70.3 Å²	70.3	12%	0.122	40%	0.397	C	S	.	.			trans	-81	115.8	-179	-47.1	0	0	0	0	111.7	N410 C417 C426 N436	N410-C412 VanDerWaalsContact C-N 3.29Å; N410-C412 PolarHBondContact O-N 3.46Å; C412-C417 HydrophobicContact CB-CB 4.39Å; C412-C417 VanDerWaalsContact SG-CA 3.55Å; C412-C417 WeakPolarHBondContact SG-CB 3.48Å; C412-C426 WeakPolarHBondContact CA-SG 3.45Å; C412-C426 HydrophobicContact CB-CB 3.7Å; C412-C426 WeakPolarHBondContact CB-SG 3.32Å; C412-C426 WeakPolarHBondContact SG-CA 3.3Å; C412-C426 WeakPolarHBondContact SG-CB 3.47Å; C412-C426 CovalentContact SG-SG 2.01Å; C412-C426 PolarHBondContact SG-SG 2.88Å; C412-N436 CarbonylContact C-O 3.52Å; C412-N436 WeakPolarHBondContact CA-O 3.44Å
413	K	89.3	Confident	75.5	Confident	148 Å²	148	69.9 Å²	69.9	64%	0.643	40%	0.395	S	S	*	.	S	Bend	trans	-75.8	-52.4	177.8	-65.4	-61.2	-173.9	-174.5	0	112.5	P411 N436 D438	P411-K413 PolarHBondContact O-N 3.41Å; K413-N436 PolarHBondContact N-O 3.36Å; K413-D438 HydrophobicContact CB-CB 4.36Å; K413-D438 HydrophobicContact CG-CB 3.96Å
414	H	89.4	Confident	75.5	Confident	77 Å²	77	69.3 Å²	69.3	36%	0.356	38%	0.38	S	S	.	.	S	Bend	trans	-128.1	59.5	-178.7	-52.5	98.4	0	0	0	111	S429 Y432 C437	H414-S429 WeakPolarHBondContact O-CB 3.39Å; H414-S429 PolarHBondContact O-N 3.25Å; H414-S429 PolarHBondContact O-OG 2.93Å; H414-Y432 HydrophobicContact CB-CD1 3.76Å; H414-Y432 HydrophobicContact CB-CD2 3.62Å; H414-Y432 HydrophobicContact CB-CE1 4.09Å; H414-Y432 HydrophobicContact CB-CE2 3.96Å; H414-Y432 HydrophobicContact CB-CG 3.51Å; H414-Y432 AromaticContact CD2-CE1 3.91Å; H414-Y432 AromaticContact CD2-CZ 3.76Å; H414-Y432 AromaticContact CE1-CE1 3.55Å; H414-Y432 AromaticContact CG-CD1 3.61Å; H414-Y432 AromaticContact CG-CE1 3.51Å; H414-Y432 AromaticContact CG-CE2 3.98Å; H414-Y432 AromaticContact CG-CG 3.89Å; H414-Y432 AromaticContact CG-CZ 3.7Å; H414-Y432 AromaticContact ND1-CD1 3.37Å; H414-Y432 WeakPolarHBondContact ND1-CD1 3.48Å; H414-Y432 AromaticContact ND1-CE1 3.28Å; H414-Y432 VanDerWaalsContact ND1-CE1 3.28Å; H414-Y432 WeakPolarHBondContact ND1-CE1 3.42Å; H414-Y432 AromaticContact ND1-CZ 3.94Å; H414-Y432 AromaticContact NE2-CE1 3.95Å; H414-C437 HydrophobicContact CB-CB 4.36Å; H414-C437 WeakPolarHBondContact CB-O 3.13Å; H414-C437 PolarHBondContact N-O 2.88Å; H414-C437 PolarHBondContact ND1-O 3.43Å; H414-C437 WeakPolarHBondContact O-CB 3.48Å
415	G	90.6	Very high	76	Confident	25 Å²	25	71.5 Å²	71.5	26%	0.258	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	173.5	179.6	0	0	0	0	0	112.8	S427	G415-S427 CarbonylContact C-O 3.43Å; G415-S427 WeakPolarHBondContact CA-O 3.35Å
416	R	91.3	Very high	76.7	Confident	195 Å²	195	67.8 Å²	67.8	74%	0.736	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.7	175.5	-175.4	176	179.8	137.6	0.4	110.2	S427	R416-S427 PolarHBondContact N-O 3.38Å; R416-S427 PolarHBondContact O-N 3.01Å
417	C	87.9	Confident	77.9	Confident	34 Å²	34	70 Å²	70	23%	0.23	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	139.1	173.8	-165.3	0	0	0	0	111.3	C407 C412 H425	C407-C417 WeakPolarHBondContact CA-SG 3.33Å; C407-C417 HydrophobicContact CB-CB 3.87Å; C407-C417 WeakPolarHBondContact CB-SG 3.43Å; C407-C417 VanDerWaalsContact SG-C 3.51Å; C407-C417 WeakPolarHBondContact SG-CB 3.34Å; C407-C417 CovalentContact SG-SG 2.04Å; C407-C417 PolarHBondContact SG-SG 3.32Å; C412-C417 HydrophobicContact CB-CB 4.39Å; C412-C417 VanDerWaalsContact SG-CA 3.55Å; C412-C417 WeakPolarHBondContact SG-CB 3.48Å; C417-H425 CarbonylContact C-O 3.55Å; C417-H425 WeakPolarHBondContact CA-O 3.29Å
418	T	83.4	Confident	78.5	Confident	54 Å²	54	71.5 Å²	71.5	33%	0.331	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.5	170.8	51.1	0	0	0	0	109.7	C407 Y424 H425	C407-T418 PolarHBondContact SG-N 3.28Å; C407-T418 VanDerWaalsContact SG-N 3.43Å; T418-Y424 CarbonylContact O-C 3.42Å; T418-Y424 WeakPolarHBondContact O-CA 3.3Å; T418-H425 PolarHBondContact N-O 3.36Å; T418-H425 PolarHBondContact O-N 2.92Å; T418-H425 PolarHBondContact OG1-O 3.14Å; T418-H425 VanDerWaalsContact OG1-O 3.13Å
419	N	70.5	Confident	79.3	Confident	74 Å²	74	71.5 Å²	71.5	40%	0.396	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.5	173.7	-97.5	-41.9	0	0	0	110.6	D405 S406 C407	D405-N419 WeakPolarHBondContact CA-ND2 3.01Å; D405-N419 PolarHBondContact OD1-ND2 3.03Å; S406-N419 VanDerWaalsContact CA-OD1 3.31Å; S406-N419 WeakPolarHBondContact CA-OD1 3.36Å; S406-N419 WeakPolarHBondContact CB-OD1 3.39Å; S406-N419 PolarHBondContact N-OD1 2.71Å; S406-N419 PolarHBondContact OG-OD1 3.23Å; C407-N419 PolarHBondContact N-OD1 2.91Å
420	V	64.2	Low	79.9	Confident	81 Å²	81	74 Å²	74	49%	0.491	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	82.3	176.3	-170.9	0	0	0	0	108.1	N422 H423 H425	V420-N422 PolarHBondContact O-N 2.9Å; V420-H423 CarbonylContact C-O 3.55Å; V420-H423 PolarHBondContact N-O 3.31Å; V420-H423 PolarHBondContact O-N 3.26Å; V420-H425 HydrophobicContact CG2-CB 3.99Å
421	G	63.1	Low	80	Confident	41 Å²	41	70 Å²	70	42%	0.423	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-115.8	-176.8	0	0	0	0	0	112	G394	G394-G421 VanDerWaalsContact CA-C 3.41Å; G394-G421 WeakPolarHBondContact CA-O 3.43Å
422	N	53.7	Low	80.4	Confident	68 Å²	68	72.9 Å²	72.9	36%	0.364	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.4	174.2	61	-31.8	0	0	0	113.9	I404 S406 V420	I404-N422 HydrophobicContact CD1-CB 4.28Å; S406-N422 VanDerWaalsContact OG-C 3.24Å; S406-N422 PolarHBondContact OG-O 3.27Å; V420-N422 PolarHBondContact O-N 2.9Å
423	H	53	Low	80.1	Confident	97 Å²	97	75.2 Å²	75.2	45%	0.449	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	167.1	-179.9	-61.6	80.5	0	0	0	111.4	S406 V420	S406-H423 VanDerWaalsContact CB-O 3.29Å; S406-H423 WeakPolarHBondContact CB-O 3.49Å; S406-H423 PolarHBondContact OG-N 3.26Å; S406-H423 PolarHBondContact OG-O 2.97Å; V420-H423 CarbonylContact C-O 3.55Å; V420-H423 PolarHBondContact N-O 3.31Å; V420-H423 PolarHBondContact O-N 3.26Å
424	Y	74.5	Confident	79.4	Confident	77 Å²	77	69.7 Å²	69.7	30%	0.302	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.2	166.9	65.4	-87.7	0	0	0	110.5	P411 T418 C426 I435 N436	P411-Y424 HydrophobicContact CB-CD1 4.08Å; P411-Y424 HydrophobicContact CB-CD2 3.82Å; P411-Y424 HydrophobicContact CB-CE1 3.8Å; P411-Y424 HydrophobicContact CB-CE2 3.53Å; P411-Y424 HydrophobicContact CB-CG 4.1Å; P411-Y424 HydrophobicContact CG-CD1 3.67Å; P411-Y424 HydrophobicContact CG-CD2 3.38Å; P411-Y424 HydrophobicContact CG-CE1 3.94Å; P411-Y424 HydrophobicContact CG-CE2 3.69Å; P411-Y424 HydrophobicContact CG-CG 3.4Å; T418-Y424 CarbonylContact O-C 3.42Å; T418-Y424 WeakPolarHBondContact O-CA 3.3Å; Y424-C426 VanDerWaalsContact CD2-SG 3.59Å; Y424-I435 HydrophobicContact CE2-CG2 4.44Å; Y424-N436 VanDerWaalsContact CE2-OD1 3.3Å; Y424-N436 WeakPolarHBondContact CE2-OD1 3.27Å; Y424-N436 PolarHBondContact OH-OD1 2.63Å
425	H	76.3	Confident	78.9	Confident	103 Å²	103	72.8 Å²	72.8	48%	0.477	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126	165.8	177.2	-14.8	0	0	0	109.1	C417 T418 V420	C417-H425 CarbonylContact C-O 3.55Å; C417-H425 WeakPolarHBondContact CA-O 3.29Å; T418-H425 PolarHBondContact N-O 3.36Å; T418-H425 PolarHBondContact O-N 2.92Å; T418-H425 PolarHBondContact OG1-O 3.14Å; T418-H425 VanDerWaalsContact OG1-O 3.13Å; V420-H425 HydrophobicContact CG2-CB 3.99Å
426	C	86.9	Confident	78.6	Confident	9 Å²	9	73.8 Å²	73.8	6%	0.061	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.5	170.5	-58.8	0	0	0	0	111.4	C412 Y424 C428 I435 C437	C412-C426 WeakPolarHBondContact CA-SG 3.45Å; C412-C426 HydrophobicContact CB-CB 3.7Å; C412-C426 WeakPolarHBondContact CB-SG 3.32Å; C412-C426 WeakPolarHBondContact SG-CA 3.3Å; C412-C426 WeakPolarHBondContact SG-CB 3.47Å; C412-C426 CovalentContact SG-SG 2.01Å; C412-C426 PolarHBondContact SG-SG 2.88Å; Y424-C426 VanDerWaalsContact CD2-SG 3.59Å; C426-C428 PolarHBondContact O-N 3.15Å; C426-I435 WeakPolarHBondContact CB-O 3.47Å; C426-I435 PolarHBondContact SG-O 3.22Å; C426-C437 WeakPolarHBondContact CB-SG 3.32Å
427	S	91.1	Very high	78.4	Confident	62 Å²	62	64.5 Å²	64.5	43%	0.434	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	100.9	168	-64	0	0	0	0	108.8	G415 R416	G415-S427 CarbonylContact C-O 3.43Å; G415-S427 WeakPolarHBondContact CA-O 3.35Å; R416-S427 PolarHBondContact N-O 3.38Å; R416-S427 PolarHBondContact O-N 3.01Å
428	C	89.9	Confident	78.3	Confident	52 Å²	52	66.9 Å²	66.9	35%	0.351	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.9	-172.1	-56.3	0	0	0	0	113.2	C426 Y432 C437	C426-C428 PolarHBondContact O-N 3.15Å; C428-Y432 WeakPolarHBondContact CB-O 3.48Å; C428-C437 WeakPolarHBondContact CA-SG 3.34Å; C428-C437 HydrophobicContact CB-CB 3.69Å; C428-C437 WeakPolarHBondContact CB-SG 3.48Å; C428-C437 PolarHBondContact N-SG 3.49Å; C428-C437 WeakPolarHBondContact SG-CA 3.44Å; C428-C437 WeakPolarHBondContact SG-CB 3.44Å; C428-C437 CovalentContact SG-SG 2.04Å; C428-C437 PolarHBondContact SG-SG 2.9Å
429	S	90.7	Very high	78	Confident	66 Å²	66	67 Å²	67	46%	0.462	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-65.5	151.4	169.4	-64.8	0	0	0	0	110.2	H414 G431 Y432	H414-S429 WeakPolarHBondContact O-CB 3.39Å; H414-S429 PolarHBondContact O-N 3.25Å; H414-S429 PolarHBondContact O-OG 2.93Å; S429-G431 PolarHBondContact O-N 3.46Å; S429-Y432 PolarHBondContact O-N 2.78Å; S429-Y432 VanDerWaalsContact O-N 3.09Å
430	S	87.6	Confident	78.3	Confident	127 Å²	127	64.7 Å²	64.7	89%	0.888	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	129.3	178.5	-58.2	0	0	0	0	112
431	G	82.2	Confident	78.4	Confident	41 Å²	41	64.3 Å²	64.3	42%	0.423	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	2.6	-178.7	0	0	0	0	0	115.1	S429 M441	S429-G431 PolarHBondContact O-N 3.46Å; G431-M441 VanDerWaalsContact O-CB 3.31Å; G431-M441 WeakPolarHBondContact O-CB 3.38Å; G431-M441 WeakPolarHBondContact O-CG 3.43Å; G431-M441 PolarHBondContact O-N 3.06Å
432	Y	86.3	Confident	78.4	Confident	82 Å²	82	68.3 Å²	68.3	32%	0.322	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.3	174.2	-64.5	-90	0	0	0	111.8	H414 C428 S429 I439	H414-Y432 HydrophobicContact CB-CD1 3.76Å; H414-Y432 HydrophobicContact CB-CD2 3.62Å; H414-Y432 HydrophobicContact CB-CE1 4.09Å; H414-Y432 HydrophobicContact CB-CE2 3.96Å; H414-Y432 HydrophobicContact CB-CG 3.51Å; H414-Y432 AromaticContact CD2-CE1 3.91Å; H414-Y432 AromaticContact CD2-CZ 3.76Å; H414-Y432 AromaticContact CE1-CE1 3.55Å; H414-Y432 AromaticContact CG-CD1 3.61Å; H414-Y432 AromaticContact CG-CE1 3.51Å; H414-Y432 AromaticContact CG-CE2 3.98Å; H414-Y432 AromaticContact CG-CG 3.89Å; H414-Y432 AromaticContact CG-CZ 3.7Å; H414-Y432 AromaticContact ND1-CD1 3.37Å; H414-Y432 WeakPolarHBondContact ND1-CD1 3.48Å; H414-Y432 AromaticContact ND1-CE1 3.28Å; H414-Y432 VanDerWaalsContact ND1-CE1 3.28Å; H414-Y432 WeakPolarHBondContact ND1-CE1 3.42Å; H414-Y432 AromaticContact ND1-CZ 3.94Å; H414-Y432 AromaticContact NE2-CE1 3.95Å; C428-Y432 WeakPolarHBondContact CB-O 3.48Å; S429-Y432 PolarHBondContact O-N 2.78Å; S429-Y432 VanDerWaalsContact O-N 3.09Å; Y432-I439 CarbonylContact C-O 3.59Å; Y432-I439 VanDerWaalsContact CA-O 3.24Å; Y432-I439 WeakPolarHBondContact CA-O 3.17Å
433	E	80.2	Confident	78.3	Confident	66 Å²	66	71.7 Å²	71.7	31%	0.308	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	-173.3	176.2	68.9	163.8	-151.4	0	0	111.5	C437 D438 I439 M441 Y444	E433-C437 CarbonylContact O-C 3.58Å; E433-C437 WeakPolarHBondContact O-CA 3.49Å; E433-D438 PolarHBondContact O-N 3.03Å; E433-I439 HydrophobicContact CG-CB 3.9Å; E433-I439 HydrophobicContact CG-CG2 3.91Å; E433-I439 PolarHBondContact N-O 3.06Å; E433-I439 WeakPolarHBondContact O-CB 3.16Å; E433-I439 PolarHBondContact O-N 3.44Å; E433-M441 HydrophobicContact CB-SD 4.04Å; E433-M441 HydrophobicContact CG-CG 4.41Å; E433-M441 HydrophobicContact CG-SD 3.61Å; E433-Y444 HydrophobicContact CG-CE2 4.38Å; E433-Y444 WeakPolarHBondContact OE1-CE2 3.31Å; E433-Y444 PolarHBondContact OE1-OH 3.12Å
434	G	75.2	Confident	78.2	Confident	32 Å²	32	72.4 Å²	72.4	33%	0.33	40%	0.398	S	S	.	.	S	Bend	trans	91.6	163.4	-173.2	0	0	0	0	0	112.4	N436 C437	G434-N436 PolarHBondContact O-N 3.33Å; G434-C437 PolarHBondContact O-N 3.28Å; G434-C437 VanDerWaalsContact O-N 3.1Å
435	I	77.8	Confident	77	Confident	142 Å²	142	73.9 Å²	73.9	73%	0.728	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.9	-177.8	-64.7	172	0	0	0	111.2	Y424 C426	Y424-I435 HydrophobicContact CE2-CG2 4.44Å; C426-I435 WeakPolarHBondContact CB-O 3.47Å; C426-I435 PolarHBondContact SG-O 3.22Å
436	N	85.6	Confident	75.7	Confident	46 Å²	46	77.2 Å²	77.2	25%	0.246	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	6	-179.1	-69.8	-27.6	0	0	0	113.6	P411 C412 K413 Y424 G434 D438	P411-N436 WeakPolarHBondContact O-CB 3.04Å; P411-N436 PolarHBondContact O-OD1 2.67Å; C412-N436 CarbonylContact C-O 3.52Å; C412-N436 WeakPolarHBondContact CA-O 3.44Å; K413-N436 PolarHBondContact N-O 3.36Å; Y424-N436 VanDerWaalsContact CE2-OD1 3.3Å; Y424-N436 WeakPolarHBondContact CE2-OD1 3.27Å; Y424-N436 PolarHBondContact OH-OD1 2.63Å; G434-N436 PolarHBondContact O-N 3.33Å; N436-D438 HydrophobicContact CB-CB 4.18Å; N436-D438 PolarHBondContact O-N 2.75Å
437	C	87.4	Confident	73.7	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	45%	0.451	C	S	.	.	S	Bend	trans	53.5	36.7	-171.3	-46.3	0	0	0	0	112.4	H414 C426 C428 E433 G434	H414-C437 HydrophobicContact CB-CB 4.36Å; H414-C437 WeakPolarHBondContact CB-O 3.13Å; H414-C437 PolarHBondContact N-O 2.88Å; H414-C437 PolarHBondContact ND1-O 3.43Å; H414-C437 WeakPolarHBondContact O-CB 3.48Å; C426-C437 WeakPolarHBondContact CB-SG 3.32Å; C428-C437 WeakPolarHBondContact CA-SG 3.34Å; C428-C437 HydrophobicContact CB-CB 3.69Å; C428-C437 WeakPolarHBondContact CB-SG 3.48Å; C428-C437 PolarHBondContact N-SG 3.49Å; C428-C437 WeakPolarHBondContact SG-CA 3.44Å; C428-C437 WeakPolarHBondContact SG-CB 3.44Å; C428-C437 CovalentContact SG-SG 2.04Å; C428-C437 PolarHBondContact SG-SG 2.9Å; E433-C437 CarbonylContact O-C 3.58Å; E433-C437 WeakPolarHBondContact O-CA 3.49Å; G434-C437 PolarHBondContact O-N 3.28Å; G434-C437 VanDerWaalsContact O-N 3.1Å
438	D	84.8	Confident	71.7	Confident	84 Å²	84	79.8 Å²	79.8	45%	0.449	44%	0.443	S	S	.	.			trans	-97.6	-12.7	-176.1	57.9	-28.1	0	0	0	112.6	K413 E433 N436	K413-D438 HydrophobicContact CB-CB 4.36Å; K413-D438 HydrophobicContact CG-CB 3.96Å; E433-D438 PolarHBondContact O-N 3.03Å; N436-D438 HydrophobicContact CB-CB 4.18Å; N436-D438 PolarHBondContact O-N 2.75Å
439	I	76.3	Confident	69.8	Low	56 Å²	56	84.8 Å²	84.8	29%	0.287	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.6	178.1	-55.3	173	0	0	0	108	Y432 E433 Y444	Y432-I439 CarbonylContact C-O 3.59Å; Y432-I439 VanDerWaalsContact CA-O 3.24Å; Y432-I439 WeakPolarHBondContact CA-O 3.17Å; E433-I439 HydrophobicContact CG-CB 3.9Å; E433-I439 HydrophobicContact CG-CG2 3.91Å; E433-I439 PolarHBondContact N-O 3.06Å; E433-I439 WeakPolarHBondContact O-CB 3.16Å; E433-I439 PolarHBondContact O-N 3.44Å; I439-Y444 HydrophobicContact CG2-CD2 4.43Å; I439-Y444 HydrophobicContact CG2-CE2 3.63Å
440	S	76.7	Confident	68.2	Low	26 Å²	26	87.6 Å²	87.6	18%	0.182	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.2	168.8	177.3	0	0	0	0	109.2	L442 Q443	S440-L442 PolarHBondContact O-N 2.81Å; S440-L442 VanDerWaalsContact O-N 3.14Å; S440-L442 PolarHBondContact OG-N 3.14Å; S440-Q443 VanDerWaalsContact O-CB 3.29Å; S440-Q443 WeakPolarHBondContact O-CB 2.95Å; S440-Q443 PolarHBondContact O-N 3.08Å
441	M	67.3	Low	67.2	Low	73 Å²	73	83.6 Å²	83.6	36%	0.36	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	173.9	-70.5	-69.4	-71	0	0	111.9	G431 E433 Q443 Y444 F445	G431-M441 VanDerWaalsContact O-CB 3.31Å; G431-M441 WeakPolarHBondContact O-CB 3.38Å; G431-M441 WeakPolarHBondContact O-CG 3.43Å; G431-M441 PolarHBondContact O-N 3.06Å; E433-M441 HydrophobicContact CB-SD 4.04Å; E433-M441 HydrophobicContact CG-CG 4.41Å; E433-M441 HydrophobicContact CG-SD 3.61Å; M441-Q443 PolarHBondContact O-N 2.65Å; M441-Y444 PolarHBondContact O-N 2.8Å; M441-F445 WeakPolarHBondContact O-CD2 3.44Å
442	L	63.8	Low	66.3	Low	125 Å²	125	83 Å²	83	65%	0.654	43%	0.433	S	S	*	.	H	α-helix	trans	-66	-26.6	174.1	-64.5	174.9	0	0	0	112.5	S440 Y444 F445	S440-L442 PolarHBondContact O-N 2.81Å; S440-L442 VanDerWaalsContact O-N 3.14Å; S440-L442 PolarHBondContact OG-N 3.14Å; L442-Y444 VanDerWaalsContact C-N 3.26Å; L442-Y444 PolarHBondContact O-N 3.31Å; L442-F445 PolarHBondContact O-N 2.72Å
443	Q	50.9	Low	64.8	Low	140 Å²	140	85 Å²	85	65%	0.654	46%	0.455	S	S	*	.	H	α-helix	trans	-72.6	-21.1	-178.2	-160.5	166	17.9	0	0	112.7	S440 M441 F445	S440-Q443 VanDerWaalsContact O-CB 3.29Å; S440-Q443 WeakPolarHBondContact O-CB 2.95Å; S440-Q443 PolarHBondContact O-N 3.08Å; M441-Q443 PolarHBondContact O-N 2.65Å; Q443-F445 VanDerWaalsContact C-N 3.29Å
444	Y	50.1	Low	63.6	Low	111 Å²	111	91 Å²	91	44%	0.435	48%	0.476	S	S	.	.	H	α-helix	trans	-67.1	-35	166	-73.3	-85	0	0	0	111	E433 I439 M441 L442 E446 F448	E433-Y444 HydrophobicContact CG-CE2 4.38Å; E433-Y444 WeakPolarHBondContact OE1-CE2 3.31Å; E433-Y444 PolarHBondContact OE1-OH 3.12Å; I439-Y444 HydrophobicContact CG2-CD2 4.43Å; I439-Y444 HydrophobicContact CG2-CE2 3.63Å; M441-Y444 PolarHBondContact O-N 2.8Å; L442-Y444 VanDerWaalsContact C-N 3.26Å; L442-Y444 PolarHBondContact O-N 3.31Å; Y444-E446 PolarHBondContact O-N 3Å; Y444-F448 VanDerWaalsContact C-CE2 3.42Å; Y444-F448 WeakPolarHBondContact O-CD2 3.31Å; Y444-F448 WeakPolarHBondContact O-CE2 3.24Å
445	F	50.9	Low	62.7	Low	108 Å²	108	100.2 Å²	100.2	47%	0.474	50%	0.501	S	S	.	.	H	α-helix	trans	-76.2	-19.5	-170.6	-70.2	-74.5	0	0	0	115.9	M441 L442 Q443 F448 Y482	M441-F445 WeakPolarHBondContact O-CD2 3.44Å; L442-F445 PolarHBondContact O-N 2.72Å; Q443-F445 VanDerWaalsContact C-N 3.29Å; F445-F448 HydrophobicContact CD1-CD2 4.06Å; F445-F448 HydrophobicContact CD1-CE2 4.23Å; F445-Y482 HydrophobicContact CE1-CE2 4.43Å
446	E	48.5	Very low	62.4	Low	174 Å²	174	94.6 Å²	94.6	81%	0.813	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-1	-177.9	-68.4	-176	165	0	0	114.4	Y444	Y444-E446 PolarHBondContact O-N 3Å
447	G	44.1	Very low	62.3	Low	65 Å²	65	93 Å²	93	67%	0.67	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	2.4	176.9	0	0	0	0	0	115.8
448	F	49.3	Very low	62.1	Low	60 Å²	60	98 Å²	98	26%	0.263	49%	0.49	S	S	.	.			trans	-97.3	23.3	-164.2	-74.4	-54.5	0	0	0	116.2	Y444 F445 Q450 L456	Y444-F448 VanDerWaalsContact C-CE2 3.42Å; Y444-F448 WeakPolarHBondContact O-CD2 3.31Å; Y444-F448 WeakPolarHBondContact O-CE2 3.24Å; F445-F448 HydrophobicContact CD1-CD2 4.06Å; F445-F448 HydrophobicContact CD1-CE2 4.23Å; F448-Q450 PolarHBondContact O-N 3.17Å; F448-L456 HydrophobicContact CB-CD1 4.43Å; F448-L456 HydrophobicContact CB-CD2 3.9Å; F448-L456 HydrophobicContact CD1-CD1 3.12Å; F448-L456 HydrophobicContact CD1-CD2 3.57Å; F448-L456 HydrophobicContact CD1-CG 3.64Å; F448-L456 HydrophobicContact CD2-CD2 4.07Å; F448-L456 HydrophobicContact CE1-CD1 3.46Å; F448-L456 VanDerWaalsContact CE1-CD1 3.46Å; F448-L456 HydrophobicContact CE1-CD2 3.98Å; F448-L456 HydrophobicContact CE1-CG 3.74Å; F448-L456 HydrophobicContact CE2-CD2 4.5Å; F448-L456 HydrophobicContact CG-CD1 4.01Å; F448-L456 HydrophobicContact CG-CD2 3.63Å; F448-L456 HydrophobicContact CG-CG 4.24Å; F448-L456 HydrophobicContact CZ-CD2 4.46Å; F448-L456 HydrophobicContact CZ-CG 4.46Å
449	E	49.5	Very low	62.1	Low	157 Å²	157	97.5 Å²	97.5	73%	0.734	49%	0.487	S	S	*	.	S	Bend	trans	-76.9	2.4	178.2	-67	-172.8	162.7	0	0	113.7
450	Q	57.3	Low	62.4	Low	124 Å²	124	98.1 Å²	98.1	58%	0.579	51%	0.507	S	S	*	.	S	Bend	trans	-136.5	143.7	-175.9	-58.6	-167.5	25	0	0	112.3	F448 G452	F448-Q450 PolarHBondContact O-N 3.17Å; Q450-G452 PolarHBondContact O-N 3.47Å
451	C	67.8	Low	62.9	Low	43 Å²	43	97.6 Å²	97.6	29%	0.291	51%	0.506	S	S	.	.			trans	-63.8	84.2	162.1	-62.4	0	0	0	0	109.4	C463 T464 K465	C451-C463 WeakPolarHBondContact CA-SG 3.47Å; C451-C463 HydrophobicContact CB-CB 4.03Å; C451-C463 WeakPolarHBondContact CB-SG 3.41Å; C451-C463 WeakPolarHBondContact SG-CB 3.46Å; C451-C463 CovalentContact SG-SG 2.04Å; C451-C463 PolarHBondContact SG-SG 3.42Å; C451-T464 PolarHBondContact SG-N 3.18Å; C451-K465 HydrophobicContact CB-CG 4.32Å
452	G	61.6	Low	63.8	Low	30 Å²	30	98.8 Å²	98.8	31%	0.309	51%	0.514	S	S	.	.			trans	-89.8	-179	176.9	0	0	0	0	0	113.1	Q450 Y454	Q450-G452 PolarHBondContact O-N 3.47Å; G452-Y454 PolarHBondContact O-N 3.3Å; G452-Y454 VanDerWaalsContact O-N 3.15Å
453	P	55.4	Low	64.9	Low	122 Å²	122	94.3 Å²	94.3	79%	0.792	49%	0.492	S	S	*	.	S	Bend	trans	-59.9	-23.3	176.8	23.3	-32	0	0	0	112.9	R455	P453-R455 PolarHBondContact O-N 2.93Å
454	Y	55.3	Low	66.4	Low	192 Å²	192	89.2 Å²	89.2	75%	0.753	47%	0.471	S	S	*	.	S	Bend	trans	-83.7	81.2	169.4	-47.7	-73.5	0	0	0	109.2	G452 L456	G452-Y454 PolarHBondContact O-N 3.3Å; G452-Y454 VanDerWaalsContact O-N 3.15Å; Y454-L456 WeakPolarHBondContact O-CD1 3.37Å; Y454-L456 PolarHBondContact O-N 2.99Å
455	R	57.3	Low	67.5	Low	227 Å²	227	89.8 Å²	89.8	86%	0.857	48%	0.476	S	S	*	.			trans	-55.1	109.3	178.4	-78.3	178.8	170.9	172.7	-2.7	111	P453	P453-R455 PolarHBondContact O-N 2.93Å
456	L	71.6	Confident	68.6	Low	23 Å²	23	88.7 Å²	88.7	12%	0.12	47%	0.471	C	S	.	.			trans	-72.1	-33.6	179.4	-86	87.4	0	0	0	114.5	F448 Y454 M458 M470 Y482	F448-L456 HydrophobicContact CB-CD1 4.43Å; F448-L456 HydrophobicContact CB-CD2 3.9Å; F448-L456 HydrophobicContact CD1-CD1 3.12Å; F448-L456 HydrophobicContact CD1-CD2 3.57Å; F448-L456 HydrophobicContact CD1-CG 3.64Å; F448-L456 HydrophobicContact CD2-CD2 4.07Å; F448-L456 HydrophobicContact CE1-CD1 3.46Å; F448-L456 VanDerWaalsContact CE1-CD1 3.46Å; F448-L456 HydrophobicContact CE1-CD2 3.98Å; F448-L456 HydrophobicContact CE1-CG 3.74Å; F448-L456 HydrophobicContact CE2-CD2 4.5Å; F448-L456 HydrophobicContact CG-CD1 4.01Å; F448-L456 HydrophobicContact CG-CD2 3.63Å; F448-L456 HydrophobicContact CG-CG 4.24Å; F448-L456 HydrophobicContact CZ-CD2 4.46Å; F448-L456 HydrophobicContact CZ-CG 4.46Å; Y454-L456 WeakPolarHBondContact O-CD1 3.37Å; Y454-L456 PolarHBondContact O-N 2.99Å; L456-M458 PolarHBondContact O-N 3.35Å; L456-M470 HydrophobicContact CB-CE 3.69Å; L456-M470 HydrophobicContact CB-SD 3.89Å; L456-M470 HydrophobicContact CD1-CE 4.41Å; L456-M470 HydrophobicContact CD1-SD 3.87Å; L456-M470 HydrophobicContact CD2-CE 3.68Å; L456-M470 HydrophobicContact CD2-SD 4.23Å; L456-M470 HydrophobicContact CG-CE 4.13Å; L456-M470 HydrophobicContact CG-SD 4.22Å; L456-Y482 HydrophobicContact CB-CD1 4.09Å; L456-Y482 HydrophobicContact CD2-CD1 3.67Å; L456-Y482 HydrophobicContact CD2-CE1 3.35Å
457	C	81.7	Confident	69.6	Low	14 Å²	14	89.2 Å²	89.2	10%	0.095	48%	0.479	C	S	.	.			trans	-71.9	108.9	-172.3	-52.2	0	0	0	0	109.9	G461 C463 C472	C457-G461 WeakPolarHBondContact CB-O 3.19Å; C457-C463 VanDerWaalsContact SG-CA 3.58Å; C457-C472 WeakPolarHBondContact CA-SG 3.14Å; C457-C472 HydrophobicContact CB-CB 3.8Å; C457-C472 WeakPolarHBondContact CB-SG 3.28Å; C457-C472 VanDerWaalsContact SG-CA 3.5Å; C457-C472 WeakPolarHBondContact SG-CB 3.36Å; C457-C472 CovalentContact SG-SG 2.03Å; C457-C472 PolarHBondContact SG-SG 2.92Å
458	M	83.3	Confident	70.7	Confident	104 Å²	104	92.1 Å²	92.1	51%	0.512	48%	0.48	S	S	.	.			trans	-71.2	166.9	178.6	-58.9	-169.9	-179.8	0	0	110.9	L456 G460 G461 Y482 C483 E484	L456-M458 PolarHBondContact O-N 3.35Å; M458-G460 PolarHBondContact O-N 3.25Å; M458-G461 PolarHBondContact O-N 3.48Å; M458-Y482 WeakPolarHBondContact CB-O 3.31Å; M458-Y482 PolarHBondContact N-O 3.46Å; M458-C483 VanDerWaalsContact O-CB 3.31Å; M458-C483 WeakPolarHBondContact O-CB 3.34Å; M458-E484 HydrophobicContact SD-CB 3.75Å
459	N	85.9	Confident	71.5	Confident	73 Å²	73	90 Å²	90	39%	0.39	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	30	169	-58.5	-56.6	0	0	0	115.4	P475 W478 C483	N459-P475 WeakPolarHBondContact O-CG 3.44Å; N459-W478 HydrophobicContact CB-CD2 3.52Å; N459-W478 VanDerWaalsContact CB-CE2 3.47Å; N459-W478 HydrophobicContact CB-CE3 4.04Å; N459-W478 HydrophobicContact CB-CG 3.72Å; N459-W478 HydrophobicContact CB-CH2 4.45Å; N459-W478 HydrophobicContact CB-CZ2 3.97Å; N459-W478 HydrophobicContact CB-CZ3 4.48Å; N459-W478 VanDerWaalsContact CG-CE2 3.48Å; N459-W478 VanDerWaalsContact CG-CZ2 3.49Å; N459-W478 WeakPolarHBondContact ND2-CZ3 3.29Å; N459-W478 WeakPolarHBondContact OD1-CH2 2.96Å; N459-W478 WeakPolarHBondContact OD1-CZ2 3.2Å; N459-C483 PolarHBondContact ND2-O 3.1Å
460	G	82.1	Confident	72.7	Confident	69 Å²	69	83.6 Å²	83.6	71%	0.711	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	20	179.9	0	0	0	0	0	114.6	M458	M458-G460 PolarHBondContact O-N 3.25Å
461	G	87.1	Confident	73.9	Confident	15 Å²	15	83.3 Å²	83.3	16%	0.155	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-64.9	144.3	172.9	0	0	0	0	0	112.7	C457 M458 Q473	C457-G461 WeakPolarHBondContact CB-O 3.19Å; M458-G461 PolarHBondContact O-N 3.48Å; G461-Q473 VanDerWaalsContact CA-O 3.29Å; G461-Q473 WeakPolarHBondContact CA-O 3.44Å
462	N	87.3	Confident	74.7	Confident	99 Å²	99	82 Å²	82	53%	0.529	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.3	178.4	-168.5	24	0	0	0	110.6	C472 Q473	N462-C472 CarbonylContact O-C 3.6Å; N462-C472 WeakPolarHBondContact O-CA 3.3Å; N462-Q473 HydrophobicContact CB-CB 4.27Å; N462-Q473 PolarHBondContact N-O 3.48Å; N462-Q473 PolarHBondContact O-N 2.93Å
463	C	85.2	Confident	76.1	Confident	30 Å²	30	85.9 Å²	85.9	20%	0.203	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.6	-178.1	-171.1	0	0	0	0	111	C451 C457 M470	C451-C463 WeakPolarHBondContact CA-SG 3.47Å; C451-C463 HydrophobicContact CB-CB 4.03Å; C451-C463 WeakPolarHBondContact CB-SG 3.41Å; C451-C463 WeakPolarHBondContact SG-CB 3.46Å; C451-C463 CovalentContact SG-SG 2.04Å; C451-C463 PolarHBondContact SG-SG 3.42Å; C457-C463 VanDerWaalsContact SG-CA 3.58Å; C463-M470 WeakPolarHBondContact SG-CG 3.47Å; C463-M470 PolarHBondContact SG-SD 2.77Å
464	T	83.5	Confident	77.6	Confident	34 Å²	34	82.1 Å²	82.1	21%	0.209	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.2	177.9	43.9	0	0	0	0	110.7	C451 F466 R471	C451-T464 PolarHBondContact SG-N 3.18Å; T464-F466 VanDerWaalsContact OG1-CE2 3.26Å; T464-F466 WeakPolarHBondContact OG1-CE2 3.17Å; T464-R471 PolarHBondContact N-O 2.96Å; T464-R471 PolarHBondContact O-N 3.26Å; T464-R471 PolarHBondContact OG1-O 3.47Å
465	K	73.9	Confident	79.1	Confident	122 Å²	122	75.4 Å²	75.4	53%	0.53	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.9	173.9	-69.9	-174.3	174.5	-170.1	0	109.4	C451	C451-K465 HydrophobicContact CB-CG 4.32Å
466	F	72.3	Confident	80.4	Confident	86 Å²	86	72.1 Å²	72.1	38%	0.377	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	167.7	170.9	-71.1	-88.5	0	0	0	109.4	T464 D468 G469 R471	T464-F466 VanDerWaalsContact OG1-CE2 3.26Å; T464-F466 WeakPolarHBondContact OG1-CE2 3.17Å; F466-D468 WeakPolarHBondContact CB-OD1 3.31Å; F466-D468 PolarHBondContact O-N 2.9Å; F466-G469 CarbonylContact C-O 3.55Å; F466-G469 WeakPolarHBondContact CA-O 3.4Å; F466-G469 WeakPolarHBondContact CB-O 3.43Å; F466-G469 PolarHBondContact N-O 3.5Å; F466-G469 PolarHBondContact O-N 3.2Å; F466-G469 VanDerWaalsContact O-N 3.08Å; F466-G469 VanDerWaalsContact O-O 3.05Å; F466-R471 HydrophobicContact CD2-CB 3.51Å; F466-R471 HydrophobicContact CD2-CG 4.47Å; F466-R471 HydrophobicContact CE2-CB 3.55Å; F466-R471 HydrophobicContact CE2-CG 4.18Å
467	D	69.3	Low	81	Confident	185 Å²	185	78.5 Å²	78.5	99%	0.989	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.9	-179.2	-61.2	-33.3	0	0	0	113
468	D	67.4	Low	81.2	Confident	126 Å²	126	81.2 Å²	81.2	67%	0.674	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	9	174.5	64.5	-22.9	0	0	0	113.2	F466 R471	F466-D468 WeakPolarHBondContact CB-OD1 3.31Å; F466-D468 PolarHBondContact O-N 2.9Å; D468-R471 IonicContact OD1-NH2 2.63Å; D468-R471 IonicContact OD2-NH2 2.67Å; D468-R471 PolarHBondContact OD2-NH2 3.31Å
469	G	67.5	Low	81.2	Confident	14 Å²	14	76.8 Å²	76.8	14%	0.144	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.9	-155.7	178.2	0	0	0	0	0	114.1	F466	F466-G469 CarbonylContact C-O 3.55Å; F466-G469 WeakPolarHBondContact CA-O 3.4Å; F466-G469 WeakPolarHBondContact CB-O 3.43Å; F466-G469 PolarHBondContact N-O 3.5Å; F466-G469 PolarHBondContact O-N 3.2Å; F466-G469 VanDerWaalsContact O-N 3.08Å; F466-G469 VanDerWaalsContact O-O 3.05Å
470	M	73.7	Confident	80.9	Confident	23 Å²	23	74.6 Å²	74.6	11%	0.113	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.2	-176	-173.4	-153.6	71.9	0	0	111.9	L456 C463 Y482	L456-M470 HydrophobicContact CB-CE 3.69Å; L456-M470 HydrophobicContact CB-SD 3.89Å; L456-M470 HydrophobicContact CD1-CE 4.41Å; L456-M470 HydrophobicContact CD1-SD 3.87Å; L456-M470 HydrophobicContact CD2-CE 3.68Å; L456-M470 HydrophobicContact CD2-SD 4.23Å; L456-M470 HydrophobicContact CG-CE 4.13Å; L456-M470 HydrophobicContact CG-SD 4.22Å; C463-M470 WeakPolarHBondContact SG-CG 3.47Å; C463-M470 PolarHBondContact SG-SD 2.77Å; M470-Y482 HydrophobicContact CE-CD1 3.85Å; M470-Y482 HydrophobicContact CE-CE1 3.76Å
471	R	82	Confident	81	Confident	119 Å²	119	78 Å²	78	45%	0.449	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.7	174.2	-167.4	177.9	-65	158.6	1.5	111.6	T464 F466 D468	T464-R471 PolarHBondContact N-O 2.96Å; T464-R471 PolarHBondContact O-N 3.26Å; T464-R471 PolarHBondContact OG1-O 3.47Å; F466-R471 HydrophobicContact CD2-CB 3.51Å; F466-R471 HydrophobicContact CD2-CG 4.47Å; F466-R471 HydrophobicContact CE2-CB 3.55Å; F466-R471 HydrophobicContact CE2-CG 4.18Å; D468-R471 IonicContact OD1-NH2 2.63Å; D468-R471 IonicContact OD2-NH2 2.67Å; D468-R471 PolarHBondContact OD2-NH2 3.31Å
472	C	86	Confident	80.8	Confident	15 Å²	15	79.4 Å²	79.4	10%	0.101	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.5	175.3	-67.7	0	0	0	0	111.4	C457 N462	C457-C472 WeakPolarHBondContact CA-SG 3.14Å; C457-C472 HydrophobicContact CB-CB 3.8Å; C457-C472 WeakPolarHBondContact CB-SG 3.28Å; C457-C472 VanDerWaalsContact SG-CA 3.5Å; C457-C472 WeakPolarHBondContact SG-CB 3.36Å; C457-C472 CovalentContact SG-SG 2.03Å; C457-C472 PolarHBondContact SG-SG 2.92Å; N462-C472 CarbonylContact O-C 3.6Å; N462-C472 WeakPolarHBondContact O-CA 3.3Å
473	Q	89.6	Confident	80.8	Confident	111 Å²	111	74.7 Å²	74.7	52%	0.519	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.3	168	-66.4	179	-5.8	0	0	109.2	G461 N462	G461-Q473 VanDerWaalsContact CA-O 3.29Å; G461-Q473 WeakPolarHBondContact CA-O 3.44Å; N462-Q473 HydrophobicContact CB-CB 4.27Å; N462-Q473 PolarHBondContact N-O 3.48Å; N462-Q473 PolarHBondContact O-N 2.93Å
474	C	87.9	Confident	80.8	Confident	44 Å²	44	76.9 Å²	76.9	30%	0.297	38%	0.377	S	S	.	.			trans	-87.5	143.4	-173.5	-55.6	0	0	0	0	113.3	W478 C483	C474-W478 HydrophobicContact CB-CB 4.4Å; C474-W478 WeakPolarHBondContact CB-O 3.45Å; C474-C483 WeakPolarHBondContact CA-SG 3.29Å; C474-C483 HydrophobicContact CB-CB 3.77Å; C474-C483 WeakPolarHBondContact CB-SG 3.4Å; C474-C483 WeakPolarHBondContact SG-CA 3.41Å; C474-C483 WeakPolarHBondContact SG-CB 3.02Å; C474-C483 CovalentContact SG-SG 2.04Å; C474-C483 PolarHBondContact SG-SG 3.15Å
475	P	87.2	Confident	80.8	Confident	51 Å²	51	78.7 Å²	78.7	33%	0.331	38%	0.383	S	S	.	.			trans	-61.6	155.3	169.7	-18.2	30.1	0	0	0	111.3	N459 K477 W478	N459-P475 WeakPolarHBondContact O-CG 3.44Å; P475-K477 PolarHBondContact O-N 2.82Å; P475-W478 PolarHBondContact O-N 3.33Å; P475-W478 VanDerWaalsContact O-O 3.12Å
476	K	84.9	Confident	81	Confident	158 Å²	158	79.6 Å²	79.6	69%	0.687	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-27.9	-173.3	-167.1	174	-177.9	176.7	0	115.8	N487 R489	K476-N487 PolarHBondContact O-ND2 3.23Å; K476-R489 VanDerWaalsContact CE-NH2 3.29Å
477	K	84.1	Confident	81	Confident	156 Å²	156	78.6 Å²	78.6	68%	0.678	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.1	-179.1	-66.9	-174.5	179.9	178.3	0	114.6	P475 K486 N487	P475-K477 PolarHBondContact O-N 2.82Å; K477-K486 CarbonylContact O-C 3.59Å; K477-N487 PolarHBondContact O-N 2.72Å
478	W	86.1	Confident	80.4	Confident	71 Å²	71	77.3 Å²	77.3	27%	0.269	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.4	-175.5	-60.3	100.7	0	0	0	111.4	N459 C474 P475 C483 E485 K486 N487	N459-W478 HydrophobicContact CB-CD2 3.52Å; N459-W478 VanDerWaalsContact CB-CE2 3.47Å; N459-W478 HydrophobicContact CB-CE3 4.04Å; N459-W478 HydrophobicContact CB-CG 3.72Å; N459-W478 HydrophobicContact CB-CH2 4.45Å; N459-W478 HydrophobicContact CB-CZ2 3.97Å; N459-W478 HydrophobicContact CB-CZ3 4.48Å; N459-W478 VanDerWaalsContact CG-CE2 3.48Å; N459-W478 VanDerWaalsContact CG-CZ2 3.49Å; N459-W478 WeakPolarHBondContact ND2-CZ3 3.29Å; N459-W478 WeakPolarHBondContact OD1-CH2 2.96Å; N459-W478 WeakPolarHBondContact OD1-CZ2 3.2Å; C474-W478 HydrophobicContact CB-CB 4.4Å; C474-W478 WeakPolarHBondContact CB-O 3.45Å; P475-W478 PolarHBondContact O-N 3.33Å; P475-W478 VanDerWaalsContact O-O 3.12Å; W478-C483 HydrophobicContact CB-CB 4.28Å; W478-E485 CarbonylContact C-O 3.59Å; W478-E485 WeakPolarHBondContact CA-O 3.37Å; W478-K486 HydrophobicContact CE3-CB 4.28Å; W478-K486 HydrophobicContact CZ3-CB 4.08Å; W478-N487 PolarHBondContact O-ND2 3.06Å
479	G	82.4	Confident	79.8	Confident	11 Å²	11	76.5 Å²	76.5	11%	0.113	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	-169.1	178.7	0	0	0	0	0	109.9	C483 E484 E485	G479-C483 CarbonylContact O-C 3.53Å; G479-C483 VanDerWaalsContact O-C 3.23Å; G479-C483 WeakPolarHBondContact O-CA 3.32Å; G479-E484 PolarHBondContact O-N 2.98Å; G479-E485 PolarHBondContact N-O 2.84Å; G479-E485 WeakPolarHBondContact O-CB 3.27Å; G479-E485 PolarHBondContact O-N 2.79Å
480	G	80.1	Confident	78.6	Confident	28 Å²	28	82.1 Å²	82.1	29%	0.289	39%	0.387	S	S	.	.	S	Bend	trans	88	168.3	-169.5	0	0	0	0	0	112.1	Y482 C483	G480-Y482 PolarHBondContact O-N 2.91Å; G480-C483 PolarHBondContact O-N 2.84Å
481	K	83.4	Confident	77.3	Confident	141 Å²	141	87 Å²	87	61%	0.613	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28.6	-174.1	-176.1	176.5	176.8	-176.8	0	111.9	E484	K481-E484 PolarHBondContact N-OE1 2.97Å; K481-E484 PolarHBondContact N-OE2 2.99Å
482	Y	84.1	Confident	75.5	Confident	44 Å²	44	86.9 Å²	86.9	17%	0.173	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	18.2	-176.9	-50.4	-64.4	0	0	0	112.1	F445 L456 M458 M470 G480 E484	F445-Y482 HydrophobicContact CE1-CE2 4.43Å; L456-Y482 HydrophobicContact CB-CD1 4.09Å; L456-Y482 HydrophobicContact CD2-CD1 3.67Å; L456-Y482 HydrophobicContact CD2-CE1 3.35Å; M458-Y482 WeakPolarHBondContact CB-O 3.31Å; M458-Y482 PolarHBondContact N-O 3.46Å; M470-Y482 HydrophobicContact CE-CD1 3.85Å; M470-Y482 HydrophobicContact CE-CE1 3.76Å; G480-Y482 PolarHBondContact O-N 2.91Å; Y482-E484 WeakPolarHBondContact CA-OE2 3.06Å; Y482-E484 WeakPolarHBondContact CB-OE2 3.02Å; Y482-E484 PolarHBondContact N-OE2 2.96Å; Y482-E484 PolarHBondContact O-N 3.2Å
483	C	87.1	Confident	74.1	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	44%	0.438	C	S	.	.	S	Bend	trans	63.1	25.1	-177.8	-46.4	0	0	0	0	114.8	M458 N459 C474 W478 G479 G480	M458-C483 VanDerWaalsContact O-CB 3.31Å; M458-C483 WeakPolarHBondContact O-CB 3.34Å; N459-C483 PolarHBondContact ND2-O 3.1Å; C474-C483 WeakPolarHBondContact CA-SG 3.29Å; C474-C483 HydrophobicContact CB-CB 3.77Å; C474-C483 WeakPolarHBondContact CB-SG 3.4Å; C474-C483 WeakPolarHBondContact SG-CA 3.41Å; C474-C483 WeakPolarHBondContact SG-CB 3.02Å; C474-C483 CovalentContact SG-SG 2.04Å; C474-C483 PolarHBondContact SG-SG 3.15Å; W478-C483 HydrophobicContact CB-CB 4.28Å; G479-C483 CarbonylContact O-C 3.53Å; G479-C483 VanDerWaalsContact O-C 3.23Å; G479-C483 WeakPolarHBondContact O-CA 3.32Å; G480-C483 PolarHBondContact O-N 2.84Å
484	E	84.3	Confident	72.2	Confident	75 Å²	75	92 Å²	92	35%	0.35	46%	0.458	S	S	.	.			trans	-77.5	-26.9	-178.9	70.8	-76.4	-172.8	0	0	113.3	M458 G479 K481 Y482	M458-E484 HydrophobicContact SD-CB 3.75Å; G479-E484 PolarHBondContact O-N 2.98Å; K481-E484 PolarHBondContact N-OE1 2.97Å; K481-E484 PolarHBondContact N-OE2 2.99Å; Y482-E484 WeakPolarHBondContact CA-OE2 3.06Å; Y482-E484 WeakPolarHBondContact CB-OE2 3.02Å; Y482-E484 PolarHBondContact N-OE2 2.96Å; Y482-E484 PolarHBondContact O-N 3.2Å
485	E	83.7	Confident	70.1	Confident	72 Å²	72	94.5 Å²	94.5	34%	0.336	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.1	-176.7	-59.4	-179.2	-165	0	0	110.8	W478 G479 N487 R499	W478-E485 CarbonylContact C-O 3.59Å; W478-E485 WeakPolarHBondContact CA-O 3.37Å; G479-E485 PolarHBondContact N-O 2.84Å; G479-E485 WeakPolarHBondContact O-CB 3.27Å; G479-E485 PolarHBondContact O-N 2.79Å; E485-N487 PolarHBondContact O-N 2.77Å; E485-R499 IonicContact OE2-CZ 2.78Å; E485-R499 IonicContact OE2-NH1 3.25Å; E485-R499 PolarHBondContact OE2-NH1 2.83Å; E485-R499 IonicContact OE2-NH2 2.95Å; E485-R499 PolarHBondContact OE2-NH2 3.14Å
486	K	78.3	Confident	68.1	Low	142 Å²	142	97.6 Å²	97.6	62%	0.617	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	123	168.8	-161.4	171.9	-175.2	175	0	108.2	K477 W478 Q488	K477-K486 CarbonylContact O-C 3.59Å; W478-K486 HydrophobicContact CE3-CB 4.28Å; W478-K486 HydrophobicContact CZ3-CB 4.08Å; K486-Q488 PolarHBondContact O-N 2.72Å
487	N	71.3	Confident	65.9	Low	64 Å²	64	96.3 Å²	96.3	34%	0.342	48%	0.48	S	S	.	.			trans	-66.5	82.3	169.8	-80.1	-19.2	0	0	0	108.7	K476 K477 W478 E485 R489	K476-N487 PolarHBondContact O-ND2 3.23Å; K477-N487 PolarHBondContact O-N 2.72Å; W478-N487 PolarHBondContact O-ND2 3.06Å; E485-N487 PolarHBondContact O-N 2.77Å; N487-R489 PolarHBondContact O-N 2.75Å
488	Q	57.9	Low	64.1	Low	158 Å²	158	98.4 Å²	98.4	74%	0.738	49%	0.489	S	S	*	.			trans	-70.2	90.4	159.5	-72.6	-177.8	-14.6	0	0	106.1	K486 L490	K486-Q488 PolarHBondContact O-N 2.72Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.96Å
489	R	53.6	Low	62.1	Low	110 Å²	110	102.7 Å²	102.7	42%	0.415	51%	0.505	S	S	.	.			trans	-59.5	103.7	162.4	-69.2	179.6	-176.4	-150	-16	106.4	K476 N487 F491 E496	K476-R489 VanDerWaalsContact CE-NH2 3.29Å; N487-R489 PolarHBondContact O-N 2.75Å; R489-F491 HydrophobicContact CB-CD2 3.94Å; R489-F491 HydrophobicContact CB-CE2 3.51Å; R489-F491 HydrophobicContact CB-CZ 4.07Å; R489-F491 HydrophobicContact CG-CE2 4.39Å; R489-F491 WeakPolarHBondContact O-CD2 3.04Å; R489-F491 PolarHBondContact O-N 3.39Å; R489-F491 VanDerWaalsContact O-N 3.16Å; R489-E496 IonicContact CZ-OE1 2.7Å; R489-E496 IonicContact NE-OE1 3.65Å; R489-E496 IonicContact NH1-OE1 3.18Å; R489-E496 PolarHBondContact NH1-OE1 3.41Å; R489-E496 IonicContact NH2-OE1 3.82Å; R489-E496 PolarHBondContact NH2-OE1 2.77Å
490	L	43	Very low	60.2	Low	132 Å²	132	107.3 Å²	107.3	69%	0.691	53%	0.533	S	S	*	.			trans	-69.7	104.3	162	-100.6	110.3	0	0	0	106.7	Q488	Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.96Å
491	F	45.8	Very low	58.4	Low	126 Å²	126	114.5 Å²	114.5	55%	0.553	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.3	113.8	164.7	-69.3	-86	0	0	0	107.6	R489	R489-F491 HydrophobicContact CB-CD2 3.94Å; R489-F491 HydrophobicContact CB-CE2 3.51Å; R489-F491 HydrophobicContact CB-CZ 4.07Å; R489-F491 HydrophobicContact CG-CE2 4.39Å; R489-F491 WeakPolarHBondContact O-CD2 3.04Å; R489-F491 PolarHBondContact O-N 3.39Å; R489-F491 VanDerWaalsContact O-N 3.16Å
492	I	45.7	Very low	56.3	Low	116 Å²	116	114 Å²	114	60%	0.595	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.8	95.1	161.3	-56.8	179.1	0	0	0	105.5	M497	I492-M497 HydrophobicContact CD1-SD 4.14Å
493	G	55.4	Low	54	Low	57 Å²	57	119.5 Å²	119.5	59%	0.588	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.3	-143	-172.2	0	0	0	0	0	113.2	V495	G493-V495 VanDerWaalsContact C-N 3.32Å; G493-V495 PolarHBondContact O-N 2.73Å
494	N	50.4	Low	51.5	Low	176 Å²	176	123.7 Å²	123.7	94%	0.941	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	11.8	-176.5	-67.2	-14.7	0	0	0	114.1
495	V	43.9	Very low	49.3	Very low	97 Å²	97	128.8 Å²	128.8	59%	0.588	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.7	118.6	-176.3	-175.5	0	0	0	0	109.9	G493 M497	G493-V495 VanDerWaalsContact C-N 3.32Å; G493-V495 PolarHBondContact O-N 2.73Å; V495-M497 PolarHBondContact O-N 2.91Å
496	E	43.7	Very low	47.3	Very low	115 Å²	115	132.1 Å²	132.1	54%	0.537	67%	0.672	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	100.8	171.9	-167.6	170.6	-152.2	0	0	108.6	R489 K498	R489-E496 IonicContact CZ-OE1 2.7Å; R489-E496 IonicContact NE-OE1 3.65Å; R489-E496 IonicContact NH1-OE1 3.18Å; R489-E496 PolarHBondContact NH1-OE1 3.41Å; R489-E496 IonicContact NH2-OE1 3.82Å; R489-E496 PolarHBondContact NH2-OE1 2.77Å; E496-K498 PolarHBondContact O-N 3.24Å
497	M	39.4	Very low	45.6	Very low	132 Å²	132	132.1 Å²	132.1	65%	0.65	68%	0.677	S	S	*	*			trans	-77.4	111.5	172.4	-65.3	-172.1	84.4	0	0	109.2	I492 V495 R499	I492-M497 HydrophobicContact CD1-SD 4.14Å; V495-M497 PolarHBondContact O-N 2.91Å; M497-R499 PolarHBondContact O-N 3.36Å
498	K	46.8	Very low	44.2	Very low	200 Å²	200	132.2 Å²	132.2	87%	0.87	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-63.6	130.3	163	-80.2	-176.6	175.7	-177.9	0	108.2	E496	E496-K498 PolarHBondContact O-N 3.24Å
499	R	43.8	Very low	44.1	Very low	161 Å²	161	130 Å²	130	61%	0.608	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-55.8	130.8	171.1	-171.5	-172.4	-76.4	-170.6	-1	107.4	E485 M497 E501	E485-R499 IonicContact OE2-CZ 2.78Å; E485-R499 IonicContact OE2-NH1 3.25Å; E485-R499 PolarHBondContact OE2-NH1 2.83Å; E485-R499 IonicContact OE2-NH2 2.95Å; E485-R499 PolarHBondContact OE2-NH2 3.14Å; M497-R499 PolarHBondContact O-N 3.36Å; R499-E501 PolarHBondContact O-N 3.31Å
500	P	42	Very low	44.4	Very low	108 Å²	108	129 Å²	129	70%	0.701	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-62	125.6	172.3	25.1	-29.5	0	0	0	107.7	V502	P500-V502 PolarHBondContact O-N 3.42Å
501	E	42.7	Very low	45.7	Very low	179 Å²	179	131 Å²	131	84%	0.836	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-57.5	124.1	167.8	-76.1	172.6	167.8	0	0	107	R499 E503	R499-E501 PolarHBondContact O-N 3.31Å; E501-E503 PolarHBondContact O-N 3.39Å
502	V	39.6	Very low	47.1	Very low	129 Å²	129	131.3 Å²	131.3	78%	0.782	71%	0.708	S	S	*	*			trans	-70.9	87.9	174.5	178.3	0	0	0	0	106.2	P500 A504	P500-V502 PolarHBondContact O-N 3.42Å; V502-A504 HydrophobicContact CG1-CB 3.8Å; V502-A504 PolarHBondContact O-N 3.37Å
503	E	35.2	Very low	48.7	Very low	160 Å²	160	130 Å²	130	75%	0.748	70%	0.702	S	S	*	*			trans	-69.3	76	157.6	-74	-172.8	162.6	0	0	107.7	E501 E505	E501-E503 PolarHBondContact O-N 3.39Å; E503-E505 PolarHBondContact O-N 2.94Å; E503-E505 VanDerWaalsContact O-N 3.1Å
504	A	34.9	Very low	49.8	Very low	89 Å²	89	131.7 Å²	131.7	74%	0.736	70%	0.697	S	S	*	*			trans	-80.5	63.4	163	0	0	0	0	0	108.9	V502	V502-A504 HydrophobicContact CG1-CB 3.8Å; V502-A504 PolarHBondContact O-N 3.37Å
505	E	38.6	Very low	51.2	Low	181 Å²	181	125.8 Å²	125.8	85%	0.846	67%	0.672	S	S	*	*			trans	-142.4	39.7	175.7	-139.8	175.2	-156.2	0	0	112	E503	E503-E505 PolarHBondContact O-N 2.94Å; E503-E505 VanDerWaalsContact O-N 3.1Å
506	I	41.9	Very low	53.4	Low	143 Å²	143	126.1 Å²	126.1	73%	0.733	67%	0.67	S	S	*	*	S	Bend	trans	-134.3	-7	172.9	-58	-178.1	0	0	0	114.8	G508	I506-G508 PolarHBondContact O-N 3.46Å
507	I	42.4	Very low	55.6	Low	142 Å²	142	123.8 Å²	123.8	73%	0.728	67%	0.665	S	S	*	*	S	Bend	trans	-105.3	41.3	179.3	-39.5	179.3	0	0	0	111.8	I514	I507-I514 HydrophobicContact CG2-CD1 4.29Å
508	G	40.8	Very low	58	Low	66 Å²	66	120.7 Å²	120.7	68%	0.68	66%	0.656	S	S	*	*	S	Bend	trans	-92.2	-18.2	175.8	0	0	0	0	0	114.6	I506	I506-G508 PolarHBondContact O-N 3.46Å
509	S	55.5	Low	60.2	Low	112 Å²	112	115.1 Å²	115.1	78%	0.783	64%	0.639	S	S	*	*	S	Bend	trans	-116.2	9.8	-161.3	-52.7	0	0	0	0	116.2
510	N	61.3	Low	62.5	Low	88 Å²	88	110 Å²	110	47%	0.471	63%	0.63	S	S	.	*			trans	-145.7	33.4	-175.9	-105.3	-23.8	0	0	0	116.1	L512 L513 I514	N510-L512 PolarHBondContact O-N 3.16Å; N510-L513 HydrophobicContact CB-CB 3.95Å; N510-L513 WeakPolarHBondContact ND2-CD2 3.43Å; N510-L513 PolarHBondContact O-N 2.94Å; N510-L513 VanDerWaalsContact O-N 3.14Å; N510-L513 VanDerWaalsContact OD1-CB 3.29Å; N510-L513 WeakPolarHBondContact OD1-CB 3.2Å; N510-I514 WeakPolarHBondContact O-CG1 3.33Å; N510-I514 PolarHBondContact O-N 3Å
511	K	69.5	Low	65	Low	174 Å²	174	109.6 Å²	109.6	76%	0.757	62%	0.621	S	S	*	*	H	α-helix	trans	-55.5	-35.3	171.3	-70.2	-174.8	178.7	179.4	0	112.2	A515	K511-A515 WeakPolarHBondContact O-CB 2.84Å; K511-A515 PolarHBondContact O-N 3.33Å
512	L	75.7	Confident	67.5	Low	132 Å²	132	106.4 Å²	106.4	69%	0.691	61%	0.61	S	S	*	*	H	α-helix	trans	-68.6	-42.7	176.8	-167.5	70.3	0	0	0	112.1	N510 A515 L516	N510-L512 PolarHBondContact O-N 3.16Å; L512-A515 PolarHBondContact O-N 2.99Å; L512-L516 HydrophobicContact CG-CD1 4.25Å; L512-L516 WeakPolarHBondContact O-CB 3.17Å; L512-L516 VanDerWaalsContact O-CG 3.26Å; L512-L516 WeakPolarHBondContact O-CG 3.43Å; L512-L516 PolarHBondContact O-N 2.81Å
513	L	78.5	Confident	70.2	Confident	89 Å²	89	105.2 Å²	105.2	47%	0.466	60%	0.598	S	S	.	*	H	α-helix	trans	-66	-42.2	178.8	-169.9	72.6	0	0	0	111.6	N510 L516 C517	N510-L513 HydrophobicContact CB-CB 3.95Å; N510-L513 WeakPolarHBondContact ND2-CD2 3.43Å; N510-L513 PolarHBondContact O-N 2.94Å; N510-L513 VanDerWaalsContact O-N 3.14Å; N510-L513 VanDerWaalsContact OD1-CB 3.29Å; N510-L513 WeakPolarHBondContact OD1-CB 3.2Å; L513-L516 PolarHBondContact O-N 3.41Å; L513-C517 PolarHBondContact O-N 3.02Å; L513-C517 PolarHBondContact O-SG 3.31Å; L513-C517 VanDerWaalsContact O-SG 3.34Å
514	I	79.8	Confident	73	Confident	93 Å²	93	101.5 Å²	101.5	48%	0.477	59%	0.587	S	S	.	*	H	α-helix	trans	-62.9	-44.5	176.3	-63.6	169.6	0	0	0	110.3	I507 N510 L516 C517 C518	I507-I514 HydrophobicContact CG2-CD1 4.29Å; N510-I514 WeakPolarHBondContact O-CG1 3.33Å; N510-I514 PolarHBondContact O-N 3Å; I514-L516 PolarHBondContact O-N 2.98Å; I514-C517 PolarHBondContact O-N 3.34Å; I514-C518 PolarHBondContact O-N 3.04Å; I514-C518 PolarHBondContact O-SG 3.25Å; I514-C518 VanDerWaalsContact O-SG 3.34Å
515	A	79.6	Confident	75.9	Confident	51 Å²	51	103.3 Å²	103.3	42%	0.421	58%	0.578	S	S	.	*	H	α-helix	trans	-61	-43.3	176.2	0	0	0	0	0	112.2	K511 L512 C518 V519	K511-A515 WeakPolarHBondContact O-CB 2.84Å; K511-A515 PolarHBondContact O-N 3.33Å; L512-A515 PolarHBondContact O-N 2.99Å; A515-C518 PolarHBondContact O-N 3.29Å; A515-V519 WeakPolarHBondContact O-CG2 2.92Å; A515-V519 PolarHBondContact O-N 3.15Å
516	L	88.9	Confident	78.6	Confident	105 Å²	105	100 Å²	100	55%	0.55	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-41	176.4	-72.1	170.9	0	0	0	112.1	L512 L513 I514 V519 A520	L512-L516 HydrophobicContact CG-CD1 4.25Å; L512-L516 WeakPolarHBondContact O-CB 3.17Å; L512-L516 VanDerWaalsContact O-CG 3.26Å; L512-L516 WeakPolarHBondContact O-CG 3.43Å; L512-L516 PolarHBondContact O-N 2.81Å; L513-L516 PolarHBondContact O-N 3.41Å; I514-L516 PolarHBondContact O-N 2.98Å; L516-V519 PolarHBondContact O-N 3.19Å; L516-A520 WeakPolarHBondContact O-CB 3.36Å; L516-A520 PolarHBondContact O-N 2.96Å
517	C	89.7	Confident	81.1	Confident	65 Å²	65	99 Å²	99	44%	0.439	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-42.8	174.5	-72	0	0	0	0	112	L513 I514 V519 A520 I521	L513-C517 PolarHBondContact O-N 3.02Å; L513-C517 PolarHBondContact O-SG 3.31Å; L513-C517 VanDerWaalsContact O-SG 3.34Å; I514-C517 PolarHBondContact O-N 3.34Å; C517-V519 PolarHBondContact O-N 2.95Å; C517-A520 PolarHBondContact O-N 3.5Å; C517-I521 VanDerWaalsContact O-CG1 3.27Å; C517-I521 WeakPolarHBondContact O-CG1 3.37Å; C517-I521 PolarHBondContact O-N 3.32Å
518	C	89.9	Confident	83.6	Confident	68 Å²	68	96.3 Å²	96.3	46%	0.459	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-42.5	176.6	-70.3	0	0	0	0	112.3	I514 A515 I521 L522	I514-C518 PolarHBondContact O-N 3.04Å; I514-C518 PolarHBondContact O-SG 3.25Å; I514-C518 VanDerWaalsContact O-SG 3.34Å; A515-C518 PolarHBondContact O-N 3.29Å; C518-I521 PolarHBondContact O-N 3.01Å; C518-L522 WeakPolarHBondContact O-CG 3.37Å; C518-L522 PolarHBondContact O-N 3.47Å
519	V	93	Very high	86.1	Confident	83 Å²	83	97.5 Å²	97.5	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-42.8	176	173.9	0	0	0	0	111	A515 L516 C517 I521 L522 L523	A515-V519 WeakPolarHBondContact O-CG2 2.92Å; A515-V519 PolarHBondContact O-N 3.15Å; L516-V519 PolarHBondContact O-N 3.19Å; C517-V519 PolarHBondContact O-N 2.95Å; V519-I521 PolarHBondContact O-N 2.03Å; V519-L522 PolarHBondContact O-N 3.05Å; V519-L523 HydrophobicContact CG1-CD1 4.19Å; V519-L523 WeakPolarHBondContact O-CG 3.27Å; V519-L523 PolarHBondContact O-N 3.45Å
520	A	93.4	Very high	87.9	Confident	52 Å²	52	95.4 Å²	95.4	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.8	0	0	0	0	0	112.2	L516 C517 L522 L523 V524	L516-A520 WeakPolarHBondContact O-CB 3.36Å; L516-A520 PolarHBondContact O-N 2.96Å; C517-A520 PolarHBondContact O-N 3.5Å; A520-L522 PolarHBondContact O-N 3.28Å; A520-L523 PolarHBondContact O-N 3.37Å; A520-V524 WeakPolarHBondContact O-CG2 3.45Å; A520-V524 PolarHBondContact O-N 3.43Å
521	I	94.7	Very high	89.4	Confident	100 Å²	100	97 Å²	97	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.1	-68	165.7	0	0	0	110.9	C517 C518 V519 V524 F525	C517-I521 VanDerWaalsContact O-CG1 3.27Å; C517-I521 WeakPolarHBondContact O-CG1 3.37Å; C517-I521 PolarHBondContact O-N 3.32Å; C518-I521 PolarHBondContact O-N 3.01Å; V519-I521 PolarHBondContact O-N 2.03Å; I521-V524 PolarHBondContact O-N 3.25Å; I521-F525 HydrophobicContact CG2-CD2 4Å; I521-F525 HydrophobicContact CG2-CE2 4.25Å; I521-F525 PolarHBondContact O-N 2.91Å
522	L	94.5	Very high	90.4	Very high	113 Å²	113	92.8 Å²	92.8	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-63	-41.6	176.7	-76.2	169.3	0	0	0	112.3	C518 V519 A520 F525 L526	C518-L522 WeakPolarHBondContact O-CG 3.37Å; C518-L522 PolarHBondContact O-N 3.47Å; V519-L522 PolarHBondContact O-N 3.05Å; A520-L522 PolarHBondContact O-N 3.28Å; L522-F525 PolarHBondContact O-N 3.31Å; L522-L526 WeakPolarHBondContact O-CG 3.25Å; L522-L526 PolarHBondContact O-N 2.04Å
523	L	95.5	Very high	91.2	Very high	103 Å²	103	90.7 Å²	90.7	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176.3	-71	174.4	0	0	0	112	V519 A520 L526 L527	V519-L523 HydrophobicContact CG1-CD1 4.19Å; V519-L523 WeakPolarHBondContact O-CG 3.27Å; V519-L523 PolarHBondContact O-N 3.45Å; A520-L523 PolarHBondContact O-N 3.37Å; L523-L526 PolarHBondContact O-N 3.21Å; L523-L527 WeakPolarHBondContact O-CG 3.44Å; L523-L527 PolarHBondContact O-N 3.25Å
524	V	95.5	Very high	91.7	Very high	83 Å²	83	89.6 Å²	89.6	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-44	174.9	172.9	0	0	0	0	110.9	A520 I521 L526 L527 I528	A520-V524 WeakPolarHBondContact O-CG2 3.45Å; A520-V524 PolarHBondContact O-N 3.43Å; I521-V524 PolarHBondContact O-N 3.25Å; V524-L526 PolarHBondContact O-N 3.34Å; V524-L527 PolarHBondContact O-N 2.7Å; V524-I528 HydrophobicContact CG1-CD1 3.88Å; V524-I528 HydrophobicContact CG1-CG1 4.49Å; V524-I528 VanDerWaalsContact O-CG1 3.31Å; V524-I528 WeakPolarHBondContact O-CG1 3.2Å; V524-I528 PolarHBondContact O-N 3.34Å
525	F	95.1	Very high	92.2	Very high	126 Å²	126	92.4 Å²	92.4	55%	0.553	50%	0.504	S	S	*	.	H	α-helix	trans	-60.7	-43.1	175.8	-100.8	-83.8	0	0	0	112.5	I521 L522 L527 I528 I529	I521-F525 HydrophobicContact CG2-CD2 4Å; I521-F525 HydrophobicContact CG2-CE2 4.25Å; I521-F525 PolarHBondContact O-N 2.91Å; L522-F525 PolarHBondContact O-N 3.31Å; F525-L527 PolarHBondContact O-N 2.92Å; F525-I528 PolarHBondContact O-N 3.3Å; F525-I529 VanDerWaalsContact O-CG1 3.29Å; F525-I529 WeakPolarHBondContact O-CG1 3.42Å; F525-I529 PolarHBondContact O-N 3.5Å
526	L	95.1	Very high	92.5	Very high	111 Å²	111	94 Å²	94	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-38.1	177.2	-71.3	173.5	0	0	0	112.4	L522 L523 V524 I529 S530	L522-L526 WeakPolarHBondContact O-CG 3.25Å; L522-L526 PolarHBondContact O-N 2.04Å; L523-L526 PolarHBondContact O-N 3.21Å; V524-L526 PolarHBondContact O-N 3.34Å; L526-I529 PolarHBondContact O-N 3.42Å; L526-S530 WeakPolarHBondContact O-CB 3.37Å; L526-S530 PolarHBondContact O-N 3.48Å
527	L	94.8	Very high	92.2	Very high	124 Å²	124	91.9 Å²	91.9	65%	0.649	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-41.3	174.4	-71.6	175.2	0	0	0	112.1	L523 V524 F525 S530 F531	L523-L527 WeakPolarHBondContact O-CG 3.44Å; L523-L527 PolarHBondContact O-N 3.25Å; V524-L527 PolarHBondContact O-N 2.7Å; F525-L527 PolarHBondContact O-N 2.92Å; L527-S530 PolarHBondContact O-N 3.32Å; L527-F531 WeakPolarHBondContact O-CB 3.28Å; L527-F531 PolarHBondContact O-N 3.33Å
528	I	94.4	Very high	92	Very high	85 Å²	85	96.7 Å²	96.7	44%	0.436	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-46.6	175.4	-67.5	167.2	0	0	0	110.4	V524 F525 S530 F531 I532	V524-I528 HydrophobicContact CG1-CD1 3.88Å; V524-I528 HydrophobicContact CG1-CG1 4.49Å; V524-I528 VanDerWaalsContact O-CG1 3.31Å; V524-I528 WeakPolarHBondContact O-CG1 3.2Å; V524-I528 PolarHBondContact O-N 3.34Å; F525-I528 PolarHBondContact O-N 3.3Å; I528-S530 PolarHBondContact O-N 3.47Å; I528-F531 PolarHBondContact O-N 2.96Å; I528-I532 HydrophobicContact CG2-CD1 3.82Å; I528-I532 HydrophobicContact CG2-CG1 4.48Å; I528-I532 VanDerWaalsContact O-CG1 3.3Å; I528-I532 WeakPolarHBondContact O-CG1 3.46Å; I528-I532 PolarHBondContact O-N 3.43Å
529	I	93	Very high	91.5	Very high	91 Å²	91	95.4 Å²	95.4	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-46.6	177.3	-68.7	167.2	0	0	0	110.4	F525 L526 F531 I532 V533	F525-I529 VanDerWaalsContact O-CG1 3.29Å; F525-I529 WeakPolarHBondContact O-CG1 3.42Å; F525-I529 PolarHBondContact O-N 3.5Å; L526-I529 PolarHBondContact O-N 3.42Å; I529-F531 VanDerWaalsContact C-N 3.34Å; I529-F531 PolarHBondContact O-N 3.02Å; I529-I532 PolarHBondContact O-N 3.33Å; I529-V533 HydrophobicContact CG2-CG2 4.39Å; I529-V533 VanDerWaalsContact O-CG2 3.32Å; I529-V533 WeakPolarHBondContact O-CG2 3.26Å; I529-V533 PolarHBondContact O-N 2.92Å
530	S	93	Very high	90.7	Very high	67 Å²	67	100.7 Å²	100.7	47%	0.469	52%	0.516	S	S	.	.	H	α-helix	trans	-57.3	-45.3	175.9	-179.6	0	0	0	0	112	L526 L527 I528 I532 V533 V534	L526-S530 WeakPolarHBondContact O-CB 3.37Å; L526-S530 PolarHBondContact O-N 3.48Å; L527-S530 PolarHBondContact O-N 3.32Å; I528-S530 PolarHBondContact O-N 3.47Å; S530-I532 PolarHBondContact O-N 3.48Å; S530-V533 PolarHBondContact O-N 2.04Å; S530-V534 WeakPolarHBondContact O-CG2 3.04Å; S530-V534 PolarHBondContact O-N 2.97Å
531	F	92.9	Very high	89.8	Confident	123 Å²	123	105.7 Å²	105.7	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-42.5	177.3	-176.1	-98.3	0	0	0	112.7	L527 I528 I529 V534 R535	L527-F531 WeakPolarHBondContact O-CB 3.28Å; L527-F531 PolarHBondContact O-N 3.33Å; I528-F531 PolarHBondContact O-N 2.96Å; I529-F531 VanDerWaalsContact C-N 3.34Å; I529-F531 PolarHBondContact O-N 3.02Å; F531-V534 PolarHBondContact O-N 2.97Å; F531-R535 HydrophobicContact CD1-CG 4.16Å; F531-R535 HydrophobicContact CE1-CG 3.88Å; F531-R535 HydrophobicContact CZ-CG 4.21Å; F531-R535 WeakPolarHBondContact O-CB 3.49Å; F531-R535 VanDerWaalsContact O-CG 3.32Å; F531-R535 WeakPolarHBondContact O-CG 3.12Å; F531-R535 PolarHBondContact O-N 3.48Å
532	I	92.3	Very high	88.6	Confident	85 Å²	85	108.1 Å²	108.1	44%	0.436	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-45.9	176.4	-67.8	167.7	0	0	0	110.4	I528 I529 S530 V534 R535 I536	I528-I532 HydrophobicContact CG2-CD1 3.82Å; I528-I532 HydrophobicContact CG2-CG1 4.48Å; I528-I532 VanDerWaalsContact O-CG1 3.3Å; I528-I532 WeakPolarHBondContact O-CG1 3.46Å; I528-I532 PolarHBondContact O-N 3.43Å; I529-I532 PolarHBondContact O-N 3.33Å; S530-I532 PolarHBondContact O-N 3.48Å; I532-V534 PolarHBondContact O-N 3.48Å; I532-R535 WeakPolarHBondContact O-CB 3.43Å; I532-R535 PolarHBondContact O-N 2.84Å; I532-I536 HydrophobicContact CG2-CD1 3.76Å; I532-I536 HydrophobicContact CG2-CG1 4.41Å; I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.48Å
533	V	90.9	Very high	87	Confident	87 Å²	87	108.7 Å²	108.7	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-60.5	-45	178.2	172.3	0	0	0	0	111.2	I529 S530 R535 I536 A537	I529-V533 HydrophobicContact CG2-CG2 4.39Å; I529-V533 VanDerWaalsContact O-CG2 3.32Å; I529-V533 WeakPolarHBondContact O-CG2 3.26Å; I529-V533 PolarHBondContact O-N 2.92Å; S530-V533 PolarHBondContact O-N 2.04Å; V533-R535 PolarHBondContact O-N 2.79Å; V533-I536 PolarHBondContact O-N 3.19Å; V533-A537 WeakPolarHBondContact O-CB 3.47Å; V533-A537 PolarHBondContact O-N 2.9Å
534	V	90.5	Very high	85.2	Confident	66 Å²	66	113.8 Å²	113.8	40%	0.4	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-39.9	176.9	172.8	0	0	0	0	111.7	S530 F531 I532 A537 R538	S530-V534 WeakPolarHBondContact O-CG2 3.04Å; S530-V534 PolarHBondContact O-N 2.97Å; F531-V534 PolarHBondContact O-N 2.97Å; I532-V534 PolarHBondContact O-N 3.48Å; V534-A537 PolarHBondContact O-N 3.1Å; V534-R538 WeakPolarHBondContact O-CB 3.26Å; V534-R538 WeakPolarHBondContact O-CG 3.46Å; V534-R538 PolarHBondContact O-N 3.27Å
535	R	89.3	Confident	83.1	Confident	153 Å²	153	118 Å²	118	58%	0.577	55%	0.55	S	S	*	*	H	α-helix	trans	-62.5	-45.1	175.3	-78.9	-84.8	-172.4	166.4	0.1	111.6	F531 I532 V533 R538 A539	F531-R535 HydrophobicContact CD1-CG 4.16Å; F531-R535 HydrophobicContact CE1-CG 3.88Å; F531-R535 HydrophobicContact CZ-CG 4.21Å; F531-R535 WeakPolarHBondContact O-CB 3.49Å; F531-R535 VanDerWaalsContact O-CG 3.32Å; F531-R535 WeakPolarHBondContact O-CG 3.12Å; F531-R535 PolarHBondContact O-N 3.48Å; I532-R535 WeakPolarHBondContact O-CB 3.43Å; I532-R535 PolarHBondContact O-N 2.84Å; V533-R535 PolarHBondContact O-N 2.79Å; R535-R538 PolarHBondContact O-N 2.89Å; R535-A539 WeakPolarHBondContact O-CB 3.29Å; R535-A539 PolarHBondContact O-N 2.88Å
536	I	86.7	Confident	81.1	Confident	85 Å²	85	122.4 Å²	122.4	44%	0.436	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-43.4	177.2	-66.4	168.3	0	0	0	110.6	I532 V533 A539 R540	I532-I536 HydrophobicContact CG2-CD1 3.76Å; I532-I536 HydrophobicContact CG2-CG1 4.41Å; I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.48Å; V533-I536 PolarHBondContact O-N 3.19Å; I536-A539 PolarHBondContact O-N 3.25Å; I536-R540 PolarHBondContact O-N 2.87Å
537	A	82.8	Confident	78.8	Confident	59 Å²	59	120.4 Å²	120.4	49%	0.488	57%	0.569	S	S	.	*	H	α-helix	trans	-62.2	-44.7	177	0	0	0	0	0	112.1	V533 V534 A539 R540 Y541	V533-A537 WeakPolarHBondContact O-CB 3.47Å; V533-A537 PolarHBondContact O-N 2.9Å; V534-A537 PolarHBondContact O-N 3.1Å; A537-A539 VanDerWaalsContact C-N 3.34Å; A537-A539 PolarHBondContact O-N 3.02Å; A537-R540 PolarHBondContact O-N 3.38Å; A537-Y541 PolarHBondContact O-N 2.92Å
538	R	84.9	Confident	76.2	Confident	167 Å²	167	122.9 Å²	122.9	63%	0.63	58%	0.575	S	S	*	*	H	α-helix	trans	-65	-34.7	175.1	-77.5	-178.3	175.6	175.2	-0.1	112.8	V534 R535 R542	V534-R538 WeakPolarHBondContact O-CB 3.26Å; V534-R538 WeakPolarHBondContact O-CG 3.46Å; V534-R538 PolarHBondContact O-N 3.27Å; R535-R538 PolarHBondContact O-N 2.89Å; R538-R542 PolarHBondContact O-N 3.31Å
539	A	79.9	Confident	73.7	Confident	41 Å²	41	124.5 Å²	124.5	34%	0.339	59%	0.589	S	S	.	*	H	α-helix	trans	-68.2	-44.9	175.3	0	0	0	0	0	111.3	R535 I536 A537 Y541 R542 N543	R535-A539 WeakPolarHBondContact O-CB 3.29Å; R535-A539 PolarHBondContact O-N 2.88Å; I536-A539 PolarHBondContact O-N 3.25Å; A537-A539 VanDerWaalsContact C-N 3.34Å; A537-A539 PolarHBondContact O-N 3.02Å; A539-Y541 VanDerWaalsContact C-N 3.34Å; A539-Y541 PolarHBondContact O-N 3.14Å; A539-R542 PolarHBondContact O-N 3.23Å; A539-N543 WeakPolarHBondContact O-CB 3.07Å; A539-N543 VanDerWaalsContact O-CG 3.28Å; A539-N543 PolarHBondContact O-N 2.93Å
540	R	75.9	Confident	71.2	Confident	193 Å²	193	127.2 Å²	127.2	73%	0.728	61%	0.61	S	S	*	*	H	α-helix	trans	-61.3	-40.1	174.2	-77	-175.8	175.4	174.1	-0.6	112.3	I536 A537 R544	I536-R540 PolarHBondContact O-N 2.87Å; A537-R540 PolarHBondContact O-N 3.38Å; R540-R544 PolarHBondContact O-N 3.07Å; R540-R544 VanDerWaalsContact O-N 3.14Å
541	Y	73.4	Confident	68.5	Low	157 Å²	157	127 Å²	127	62%	0.616	62%	0.618	S	S	*	*	H	α-helix	trans	-65.2	-44.4	175.7	-167.6	-94.8	0	0	0	111.8	A537 A539 N543 R544 W545	A537-Y541 PolarHBondContact O-N 2.92Å; A539-Y541 VanDerWaalsContact C-N 3.34Å; A539-Y541 PolarHBondContact O-N 3.14Å; Y541-N543 PolarHBondContact O-N 3.06Å; Y541-R544 PolarHBondContact O-N 3.18Å; Y541-W545 AromaticContact CE1-CD1 3.91Å; Y541-W545 AromaticContact CE1-NE1 3.94Å; Y541-W545 AromaticContact CE2-NE1 3.91Å; Y541-W545 AromaticContact CZ-NE1 3.58Å
542	R	69.4	Low	65.8	Low	152 Å²	152	127.9 Å²	127.9	57%	0.574	63%	0.634	S	S	*	*	H	α-helix	trans	-63.3	-41.2	176.2	-102.3	-175.9	-74	-170.2	-3.4	113.2	R538 A539 R544 W545 R546	R538-R542 PolarHBondContact O-N 3.31Å; A539-R542 PolarHBondContact O-N 3.23Å; R542-R544 PolarHBondContact O-N 3.48Å; R542-W545 PolarHBondContact O-N 3.34Å; R542-R546 PolarHBondContact O-N 3.32Å
543	N	60.9	Low	63.3	Low	124 Å²	124	128.6 Å²	128.6	66%	0.663	65%	0.646	S	S	*	*	H	α-helix	trans	-69.1	-25.5	179.7	-69.2	-3.3	0	0	0	112.2	A539 Y541 W545	A539-N543 WeakPolarHBondContact O-CB 3.07Å; A539-N543 VanDerWaalsContact O-CG 3.28Å; A539-N543 PolarHBondContact O-N 2.93Å; Y541-N543 PolarHBondContact O-N 3.06Å; N543-W545 VanDerWaalsContact C-N 3.31Å; N543-W545 PolarHBondContact O-N 2.79Å
544	R	57.8	Low	60.9	Low	210 Å²	210	133.9 Å²	133.9	79%	0.792	67%	0.665	S	S	*	*	H	α-helix	trans	-73.2	-20.2	175.5	-155.4	173.1	-162.3	171.1	4.3	113.8	R540 Y541 R542	R540-R544 PolarHBondContact O-N 3.07Å; R540-R544 VanDerWaalsContact O-N 3.14Å; Y541-R544 PolarHBondContact O-N 3.18Å; R542-R544 PolarHBondContact O-N 3.48Å
545	W	53	Low	58.4	Low	173 Å²	173	134 Å²	134	66%	0.655	68%	0.68	S	S	*	*	H	α-helix	trans	-107.6	-9.2	-177.6	-75.3	95	0	0	0	114.9	Y541 R542 N543	Y541-W545 AromaticContact CE1-CD1 3.91Å; Y541-W545 AromaticContact CE1-NE1 3.94Å; Y541-W545 AromaticContact CE2-NE1 3.91Å; Y541-W545 AromaticContact CZ-NE1 3.58Å; R542-W545 PolarHBondContact O-N 3.34Å; N543-W545 VanDerWaalsContact C-N 3.31Å; N543-W545 PolarHBondContact O-N 2.79Å
546	R	52.8	Low	55.9	Low	218 Å²	218	135 Å²	135	82%	0.823	70%	0.696	S	S	*	*	S	Bend	trans	-88.8	0.8	174.7	-83.7	-171.6	175.8	-169.3	-2.6	115.3	R542	R542-R546 PolarHBondContact O-N 3.32Å
547	G	46.1	Very low	53.8	Low	68 Å²	68	138.1 Å²	138.1	70%	0.701	72%	0.718	S	S	*	*	S	Bend	trans	-105.5	14.6	-177.3	0	0	0	0	0	116.3
548	K	41.2	Very low	51.6	Low	177 Å²	177	138.3 Å²	138.3	77%	0.77	73%	0.726	S	S	*	*			trans	-122.7	65.9	-178.3	-81.2	-172.1	174.3	-176.8	0	112.4
549	T	40.9	Very low	49.3	Very low	119 Å²	119	138.4 Å²	138.4	73%	0.73	74%	0.738	S	S	*	*	S	Bend	trans	-162.4	122.3	159.2	38	0	0	0	0	109
550	T	40.3	Very low	47.3	Very low	148 Å²	148	140.3 Å²	140.3	91%	0.908	75%	0.754	S	S	*	*			trans	62.8	127.5	163.8	62.3	0	0	0	0	116.8
551	G	36.3	Very low	45.5	Very low	63 Å²	63	138.8 Å²	138.8	65%	0.649	76%	0.76	S	S	*	*			cis	156.4	131.9	12.1	0	0	0	0	0	106.6
552	T	37	Very low	43.8	Very low	141 Å²	141	139.9 Å²	139.9	87%	0.865	77%	0.768	S	S	*	*			trans	62	124.2	153	46.6	0	0	0	0	122.6
553	S	39.3	Very low	42.1	Very low	100 Å²	100	138 Å²	138	70%	0.699	77%	0.769	S	S	*	*			trans	82.5	109.2	134.4	66.2	0	0	0	0	122.3
554	Q	39.8	Very low	40.9	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	78%	0.777	S	S	*	*				84.7	133.6	127	-68.8	-177.6	-14.1	0	0	121.2
555	G	38.3	Very low	39.8	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	77%	0.769	S	S	*	*			trans	114.8	75.3	158	0	0	0	0	0	114.2
556	L	37.9	Very low	38.9	Very low	174 Å²	174	132 Å²	132	91%	0.911	78%	0.78	S	S	*	*				50.6	107.4	100.6	-86.4	157.5	0	0	0	115.1
557	V	41.4	Very low	38	Very low	151 Å²	151	125.9 Å²	125.9	92%	0.915	78%	0.776	S	S	*	*				157.4	126.3	128.3	165.3	0	0	0	0	109.6
558	G	37.3	Very low	37.4	Very low	63 Å²	63	128.7 Å²	128.7	65%	0.649	78%	0.779	S	S	*	*			trans	111.4	71.2	165.5	0	0	0	0	0	115.3
559	L	36.5	Very low	36.9	Very low	169 Å²	169	128.2 Å²	128.2	89%	0.885	78%	0.78	S	S	*	*				57.6	100.3	109	-82.7	132.2	0	0	0	114.5
560	A	38.1	Very low	36.4	Very low	81 Å²	81	128.5 Å²	128.5	67%	0.669	78%	0.781	S	S	*	*				87.6	134.3	83.9	0	0	0	0	0	111.3
561	L	37.7	Very low	35.9	Very low	161 Å²	161	132.8 Å²	132.8	84%	0.843	78%	0.781	S	S	*	*			cis	-163.9	120.2	-0.9	-90.7	155.7	0	0	0	103.7
562	F	37.2	Very low	35.7	Very low	179 Å²	179	139.1 Å²	139.1	79%	0.785	79%	0.793	S	S	*	*				35.7	110	103.5	-99.7	-100.7	0	0	0	118.2
563	N	33.7	Very low	35.4	Very low	113 Å²	113	139.2 Å²	139.2	60%	0.604	79%	0.794	S	S	*	*				77.2	129.2	120.4	-89.7	4.2	0	0	0	123.8
564	Q	35.9	Very low	35.1	Very low	176 Å²	176	144 Å²	144	82%	0.822	81%	0.805	S	S	*	*			trans	86.1	125.8	135.9	-71.3	174.4	15.2	0	0	119.6
565	G	34.7	Very low	34.8	Very low	62 Å²	62	138.3 Å²	138.3	64%	0.639	80%	0.799	S	S	*	*				110.1	101.3	122.9	0	0	0	0	0	117.8
566	T	33.8	Very low	34.7	Very low	144 Å²	144	144.6 Å²	144.6	88%	0.883	81%	0.81	S	S	*	*			trans	65.4	144.6	134.3	56.9	0	0	0	0	122
567	A	33.9	Very low	34.7	Very low	88 Å²	88	145.1 Å²	145.1	73%	0.727	81%	0.805	S	S	*	*			trans	84.1	102.6	157	0	0	0	0	0	116.1
568	V	33.6	Very low	34.5	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	80%	0.8	S	S	*	*				94.4	122.1	87.2	164.6	0	0	0	0	111.7
569	Q	30.7	Very low	34.7	Very low	166 Å²	166	152.1 Å²	152.1	78%	0.776	81%	0.81	S	S	*	*			trans	75.9	114.2	157.2	-82	171.2	-23.3	0	0	121.5
570	T	30	Very low	34.8	Very low	125 Å²	125	152.3 Å²	152.3	77%	0.767	81%	0.809	S	S	*	*			trans	83.9	131.4	131.8	57	0	0	0	0	120.2
571	R	30.6	Very low	34.9	Very low	238 Å²	238	156.5 Å²	156.5	90%	0.898	82%	0.815	S	S	*	*			trans	88.5	97.5	165.7	-61.7	-178.5	179.2	176.1	0.1	116.4
572	E	31.7	Very low	35.2	Very low	196 Å²	196	157.6 Å²	157.6	92%	0.916	82%	0.815	S	S	*	*			trans	-165.5	82	134.2	-109	168.7	-175.2	0	0	109
573	V	32.1	Very low	35.3	Very low	143 Å²	143	153.4 Å²	153.4	87%	0.867	81%	0.813	S	S	*	*			trans	-128.7	78.5	162.1	-179.7	0	0	0	0	105.6
574	Q	31.4	Very low	35.8	Very low	202 Å²	202	156 Å²	156	94%	0.944	82%	0.824	S	S	*	*			trans	-162	93.4	170.5	-116.5	157.6	-38.6	0	0	108
575	G	34	Very low	35.7	Very low	76 Å²	76	151.4 Å²	151.4	78%	0.784	82%	0.824	S	S	*	*	S	Bend	trans	-178.8	-3.2	-179.8	0	0	0	0	0	116.3
576	Q	36.5	Very low	36	Very low	201 Å²	201	155.4 Å²	155.4	94%	0.939	84%	0.836	S	S	*	*	S	Bend	trans	-134.7	30.6	-177.3	-71.3	-166.1	-44	0	0	114.4
577	K	37.2	Very low	36.2	Very low	186 Å²	186	153.9 Å²	153.9	81%	0.809	83%	0.831	S	S	*	*	S	Bend	trans	-120.5	8	-178.8	-138.8	-179.9	-178.6	-177.7	0	115.9
578	E	38.4	Very low	36.2	Very low	176 Å²	176	158.3 Å²	158.3	82%	0.822	84%	0.842	S	S	*	*	S	Bend	trans	-111	-8.4	-174.4	-69.4	-177.7	166.6	0	0	115.2
579	E	40.3	Very low	36.5	Very low	185 Å²	185	156.3 Å²	156.3	86%	0.864	84%	0.838	S	S	*	*	S	Bend	trans	-97.2	-8.4	-178.9	-72.1	-172.7	152.1	0	0	115.5
580	M	38.2	Very low	37	Very low	173 Å²	173	157.5 Å²	157.5	85%	0.852	84%	0.844	S	S	*	*	S	Bend	trans	-97.1	-1.2	-179.8	-79.3	-178.2	69.4	0	0	115.3
581	Q	41.6	Very low	37.3	Very low	169 Å²	169	161.1 Å²	161.1	79%	0.79	85%	0.849	S	S	*	*	S	Bend	trans	-100.2	-1	179.9	-76.1	-174.2	-53.2	0	0	115
582	Q	42.6	Very low	37.7	Very low	184 Å²	184	154.7 Å²	154.7	86%	0.86	84%	0.839	S	S	*	*	S	Bend	trans	-93.4	-0.3	175.4	-80.6	178.5	-12.6	0	0	114.8
583	A	40.9	Very low	38.1	Very low	90 Å²	90	155.9 Å²	155.9	74%	0.744	83%	0.834	S	S	*	*	S	Bend	trans	-93.4	-1.3	-178.7	0	0	0	0	0	115.1
584	M	42.8	Very low	38.5	Very low	167 Å²	167	154.9 Å²	154.9	82%	0.823	82%	0.824	S	S	*	*			trans	-127.3	79.3	-179.1	-62	-168.4	-53.1	0	0	111	V586	M584-V586 PolarHBondContact O-N 3.08Å
585	G	34.5	Very low	38.9	Very low	81 Å²	81	151.7 Å²	151.7	84%	0.835	81%	0.814	S	S	*	*			trans	-76.4	106	175.8	0	0	0	0	0	112.6
586	V	41	Very low	39.2	Very low	145 Å²	145	153.1 Å²	153.1	88%	0.879	81%	0.812	S	S	*	*			trans	-143.8	128.2	155.1	-176.6	0	0	0	0	109.2	M584	M584-V586 PolarHBondContact O-N 3.08Å
587	S	38.3	Very low	39.4	Very low	113 Å²	113	154 Å²	154	79%	0.79	83%	0.831	S	S	*	*			trans	-72.7	140.6	-168.9	62.1	0	0	0	0	115
588	L	34.2	Very low	39.5	Very low	181 Å²	181	152.4 Å²	152.4	95%	0.948	83%	0.832	S	S	*	*			trans	-87.3	129.5	160.3	-84.5	156.7	0	0	0	110.1
589	A	40.4	Very low	39.5	Very low	85 Å²	85	151.2 Å²	151.2	70%	0.702	83%	0.833	S	S	*	*			trans	-115.7	112.3	163.1	0	0	0	0	0	110
590	E	39.9	Very low	39.5	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	83%	0.831	S	S	*	*			trans	58.4	109.3	137.8	-68.1	169.2	159.1	0	0	121.1
591	K	36.8	Very low	39.6	Very low	200 Å²	200	147.9 Å²	147.9	87%	0.87	83%	0.83	S	S	*	*			trans	-92.2	159.1	142.7	-126.5	176.7	-172.7	178.3	0	106.8
592	P	39.3	Very low	39.4	Very low	104 Å²	104	146.6 Å²	146.6	68%	0.675	83%	0.832	S	S	*	*				-161.9	171.4	85.7	41.8	-21.6	0	0	0	118
593	R	39.8	Very low	39.2	Very low	220 Å²	220	144.1 Å²	144.1	83%	0.83	83%	0.83	S	S	*	*			trans	68	152	152.9	-74.2	171.2	-169.7	-172.4	3.9	116.9
594	N	40.5	Very low	39.1	Very low	122 Å²	122	147.9 Å²	147.9	65%	0.652	84%	0.837	S	S	*	*			cis	-169	152.5	-11.1	-109.4	-2.9	0	0	0	105.5
595	N	38.8	Very low	38.8	Very low	136 Å²	136	146.5 Å²	146.5	73%	0.727	84%	0.838	S	S	*	*			trans	56.5	128.6	143.7	-66.3	-4.2	0	0	0	122.4
596	S	40.4	Very low	39.2	Very low	106 Å²	106	151.9 Å²	151.9	74%	0.741	84%	0.838	S	S	*	*			trans	63.4	99	135.8	65.7	0	0	0	0	119
597	T	40.9	Very low	39	Very low	219 Å²	219	152.5 Å²	152.5	100%	1.344	83%	0.834	S	S	*	*				-163.2	0	102.6	1.1	0	0	0	0	109.8

Retrieved 597 of 597 residues in 82.6 ms (Link to these results)

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