A0A077YVK4_TRITR Loading...

Glutamine-dependent NAD(+) synthetase

AlphaFold DB , UniProt , Accession A0A077YVK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 635 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	75.7	Confident	89.5	Confident	61 Å²	61	18.4 Å²	18.4	30%	0.3	8%	0.082	S	C	.	.				0	133	0	169.9	173.1	122.9	0	0	106.5	V3 R35 L36 M152 I181 L260	M1-V3 HydrophobicContact CE-CG1 3.32Å; M1-R35 HydrophobicContact CG-CB 4.05Å; M1-R35 HydrophobicContact SD-CB 4.2Å; M1-L36 HydrophobicContact CE-CB 3.54Å; M1-L36 HydrophobicContact CE-CD2 3.96Å; M1-L36 HydrophobicContact CE-CG 4.41Å; M1-M152 HydrophobicContact CB-CE 3.37Å; M1-I181 HydrophobicContact CE-CD1 3.89Å; M1-L260 PolarHBondContact N-O 3.28Å; M1-L260 WeakPolarHBondContact O-CB 3.25Å; M1-L260 PolarHBondContact O-N 3.14Å
2	I	83.5	Confident	90.1	Very high	47 Å²	47	18.7 Å²	18.7	24%	0.241	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.4	173.5	-61.2	173.8	0	0	0	107.8	A32 A34 R35 D257 S258 L259	I2-A32 WeakPolarHBondContact CD1-O 3.31Å; I2-A34 HydrophobicContact CG2-CB 3.94Å; I2-A34 WeakPolarHBondContact O-CA 3.37Å; I2-R35 PolarHBondContact O-N 3.2Å; I2-D257 HydrophobicContact CG2-CB 4.34Å; I2-S258 WeakPolarHBondContact CA-O 3.42Å; I2-L259 HydrophobicContact CD1-CD1 4.47Å; I2-L259 HydrophobicContact CG1-CB 4.49Å; I2-L259 HydrophobicContact CG1-CD1 3.68Å
3	V	84.2	Confident	90.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.2	170.6	-69.2	0	0	0	0	108.8	M1 L36 I215 I235 D257 S258 L260	M1-V3 HydrophobicContact CE-CG1 3.32Å; V3-L36 HydrophobicContact CG1-CB 4.23Å; V3-L36 HydrophobicContact CG1-CD2 4.14Å; V3-I215 HydrophobicContact CB-CD1 3.83Å; V3-I215 HydrophobicContact CG1-CD1 3.91Å; V3-I215 HydrophobicContact CG2-CD1 4.09Å; V3-I235 HydrophobicContact CG2-CD1 3.89Å; V3-I235 HydrophobicContact CG2-CG2 4.23Å; V3-D257 WeakPolarHBondContact O-CA 3.4Å; V3-S258 PolarHBondContact N-O 2.75Å; V3-S258 PolarHBondContact O-N 3.46Å; V3-L260 HydrophobicContact CB-CD1 4.19Å; V3-L260 HydrophobicContact CG1-CD1 3.44Å; V3-L260 VanDerWaalsContact CG1-CD1 3.44Å; V3-L260 HydrophobicContact CG1-CG 4.45Å; V3-L260 HydrophobicContact CG2-CD1 3.64Å; V3-L260 HydrophobicContact CG2-CD2 4.27Å; V3-L260 HydrophobicContact CG2-CG 3.89Å
4	S	87.7	Confident	91.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.4	178.5	-165.4	0	0	0	0	110	L36 R37 V38 R255 T256 D257	S4-L36 PolarHBondContact N-O 3.35Å; S4-R37 CarbonylContact O-C 3.58Å; S4-R37 VanDerWaalsContact O-CA 3.22Å; S4-R37 WeakPolarHBondContact O-CA 2.97Å; S4-V38 PolarHBondContact O-N 3.47Å; S4-R255 WeakPolarHBondContact OG-CD 3.46Å; S4-R255 WeakPolarHBondContact OG-CG 3.32Å; S4-T256 WeakPolarHBondContact CA-O 2.91Å; S4-D257 WeakPolarHBondContact CB-OD1 3.4Å; S4-D257 PolarHBondContact OG-OD1 3.04Å
5	V	88.9	Confident	91.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.8	172	68	0	0	0	0	108.7	I215 R216 A217 I235 T256	V5-I215 HydrophobicContact CB-CG2 3.86Å; V5-I215 HydrophobicContact CG2-CG2 3.92Å; V5-R216 WeakPolarHBondContact CG2-O 3.24Å; V5-A217 HydrophobicContact CG2-CB 3.63Å; V5-I235 HydrophobicContact CG1-CD1 4.2Å; V5-I235 HydrophobicContact CG1-CG1 4.09Å; V5-T256 HydrophobicContact CG1-CG2 4.46Å; V5-T256 PolarHBondContact N-O 3.19Å; V5-T256 PolarHBondContact O-N 2.92Å
6	S	90	Very high	91.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.9	-174.8	-59	0	0	0	0	110.8	R37 V38 V254	S6-R37 PolarHBondContact OG-NE 3.04Å; S6-V38 PolarHBondContact N-O 3.35Å; S6-V254 WeakPolarHBondContact CA-O 3.24Å
7	C	91.1	Very high	92.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.7	167.6	-38.3	0	0	0	0	107.4	R220 G231 S233 S245 V254	C7-R220 HydrophobicContact CB-CB 4.2Å; C7-R220 PolarHBondContact SG-NH2 3.5Å; C7-R220 VanDerWaalsContact SG-NH2 3.39Å; C7-G231 PolarHBondContact SG-O 2.67Å; C7-S233 WeakPolarHBondContact SG-CB 3.31Å; C7-S233 PolarHBondContact SG-OG 2.73Å; C7-S245 VanDerWaalsContact SG-CB 3.59Å; C7-S245 PolarHBondContact SG-OG 2.74Å; C7-V254 HydrophobicContact CB-CB 4.47Å; C7-V254 PolarHBondContact N-O 3.15Å; C7-V254 PolarHBondContact O-N 3.17Å
8	L	94.1	Very high	92.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.7	-177	-54.8	-170	0	0	0	110.5	Q10 R21 I22 R37 E43 R220 V253	L8-Q10 HydrophobicContact CB-CG 3.91Å; L8-Q10 PolarHBondContact O-N 3.33Å; L8-Q10 VanDerWaalsContact O-N 3.1Å; L8-R21 HydrophobicContact CD1-CB 4.39Å; L8-I22 HydrophobicContact CD1-CB 4.33Å; L8-I22 HydrophobicContact CD1-CG1 3.57Å; L8-R37 VanDerWaalsContact CD1-NH2 3.32Å; L8-E43 WeakPolarHBondContact CD1-OE2 3.37Å; L8-R220 PolarHBondContact O-N 3.35Å; L8-V253 HydrophobicContact CD2-CB 4.3Å; L8-V253 HydrophobicContact CD2-CG1 3.88Å; L8-V253 HydrophobicContact CD2-CG2 4.02Å
9	N	95.7	Very high	92.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.			trans	-83.9	65.3	172.1	-161.8	-15.4	0	0	0	111.2	R21 R220 G221 E252 D296 R299 R300	N9-R21 WeakPolarHBondContact O-CD 3.43Å; N9-R21 VanDerWaalsContact O-CZ 3.32Å; N9-R21 PolarHBondContact O-NE 2.77Å; N9-R220 VanDerWaalsContact CA-O 3.27Å; N9-R220 WeakPolarHBondContact CA-O 3.27Å; N9-R220 PolarHBondContact OD1-O 3.39Å; N9-G221 WeakPolarHBondContact OD1-CA 3.48Å; N9-E252 PolarHBondContact N-O 3.06Å; N9-D296 VanDerWaalsContact ND2-CG 3.35Å; N9-D296 PolarHBondContact ND2-OD1 3.16Å; N9-D296 VanDerWaalsContact ND2-OD1 3.08Å; N9-D296 PolarHBondContact ND2-OD2 3.13Å; N9-R299 PolarHBondContact ND2-NH2 3.16Å; N9-R300 VanDerWaalsContact CG-NH2 3.33Å; N9-R300 PolarHBondContact O-NH2 3.05Å; N9-R300 PolarHBondContact OD1-NH2 2.87Å
10	Q	95.9	Very high	92.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.			trans	-65.9	157.2	-178.3	-57.1	-55.1	48.3	0	0	111.9	L8 N18 E43 D223 R300	L8-Q10 HydrophobicContact CB-CG 3.91Å; L8-Q10 PolarHBondContact O-N 3.33Å; L8-Q10 VanDerWaalsContact O-N 3.1Å; Q10-N18 WeakPolarHBondContact CA-OD1 3.27Å; Q10-N18 WeakPolarHBondContact CB-OD1 3.41Å; Q10-N18 PolarHBondContact OE1-OD1 3.33Å; Q10-E43 VanDerWaalsContact CD-O 3.28Å; Q10-E43 HydrophobicContact CG-CB 4.37Å; Q10-E43 WeakPolarHBondContact CG-O 3.46Å; Q10-E43 PolarHBondContact NE2-O 3.07Å; Q10-D223 WeakPolarHBondContact O-CB 3.08Å; Q10-R300 PolarHBondContact O-NH1 3.36Å; Q10-R300 PolarHBondContact O-NH2 3.36Å
11	W	97.5	Very high	92.8	Very high	94 Å²	94	30.1 Å²	30.1	36%	0.356	16%	0.155	S	C	.	.			trans	-129.5	129.6	175.9	-171.7	20.4	0	0	0	108.7	L13 D14 N18 R300	W11-L13 PolarHBondContact O-N 2.99Å; W11-D14 HydrophobicContact CB-CB 3.65Å; W11-D14 HydrophobicContact CD2-CB 4.08Å; W11-D14 HydrophobicContact CE3-CB 3.79Å; W11-D14 HydrophobicContact CG-CB 4.07Å; W11-D14 WeakPolarHBondContact O-CB 3.43Å; W11-D14 PolarHBondContact O-N 3.3Å; W11-N18 PolarHBondContact N-OD1 2.92Å; W11-N18 PolarHBondContact O-ND2 3.46Å; W11-N18 PolarHBondContact O-OD1 3.2Å; W11-R300 VanDerWaalsContact CB-NH1 3.35Å; W11-R300 HydrophobicContact CD2-CG 4.3Å; W11-R300 HydrophobicContact CH2-CB 4.29Å; W11-R300 HydrophobicContact CZ2-CB 3.97Å; W11-R300 HydrophobicContact CZ2-CG 4.48Å
12	S	96.8	Very high	93.6	Very high	22 Å²	22	27.2 Å²	27.2	15%	0.154	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	125.5	-175.7	-57	0	0	0	0	110.4	D14 C45 G48 D223	S12-D14 PolarHBondContact O-N 3.48Å; S12-C45 CarbonylContact C-O 3.55Å; S12-C45 WeakPolarHBondContact CA-O 3.44Å; S12-G48 WeakPolarHBondContact OG-CA 3.4Å; S12-G48 PolarHBondContact OG-O 3.39Å; S12-D223 VanDerWaalsContact CB-O 3.29Å; S12-D223 WeakPolarHBondContact CB-O 3.36Å; S12-D223 PolarHBondContact N-O 3.09Å; S12-D223 PolarHBondContact OG-O 3.27Å
13	L	97.1	Very high	94	Very high	61 Å²	61	26 Å²	26	32%	0.319	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	2.9	-177.4	-47.2	175.3	0	0	0	116.3	W11 F15 C45 C49 H52 L58	W11-L13 PolarHBondContact O-N 2.99Å; L13-F15 HydrophobicContact CB-CE2 4.42Å; L13-F15 HydrophobicContact CD2-CE2 4.32Å; L13-F15 HydrophobicContact CD2-CZ 4.32Å; L13-F15 VanDerWaalsContact O-CD2 3.28Å; L13-F15 WeakPolarHBondContact O-CD2 3.41Å; L13-F15 PolarHBondContact O-N 3.5Å; L13-C45 PolarHBondContact N-O 2.75Å; L13-C49 HydrophobicContact CD2-CB 4.5Å; L13-H52 HydrophobicContact CD1-CB 4.29Å; L13-H52 HydrophobicContact CD2-CB 4.13Å; L13-L58 HydrophobicContact CD2-CD1 3.87Å; L13-L58 HydrophobicContact CD2-CG 4.34Å
14	D	97.7	Very high	94.5	Very high	37 Å²	37	30 Å²	30	20%	0.198	15%	0.153	C	C	.	.			trans	-78.2	62.7	172.6	178.9	23.7	0	0	0	110.4	W11 S12 A16 G17 N18 R21	W11-D14 HydrophobicContact CB-CB 3.65Å; W11-D14 HydrophobicContact CD2-CB 4.08Å; W11-D14 HydrophobicContact CE3-CB 3.79Å; W11-D14 HydrophobicContact CG-CB 4.07Å; W11-D14 WeakPolarHBondContact O-CB 3.43Å; W11-D14 PolarHBondContact O-N 3.3Å; S12-D14 PolarHBondContact O-N 3.48Å; D14-A16 PolarHBondContact O-N 3.05Å; D14-G17 PolarHBondContact O-N 2.55Å; D14-G17 PolarHBondContact OD1-N 3.04Å; D14-G17 WeakPolarHBondContact OD2-CA 3.46Å; D14-N18 WeakPolarHBondContact O-CB 3.48Å; D14-N18 PolarHBondContact O-N 3.33Å; D14-N18 PolarHBondContact O-ND2 2.82Å; D14-R21 IonicContact OD2-CZ 2.61Å; D14-R21 IonicContact OD2-NH1 3.54Å; D14-R21 PolarHBondContact OD2-NH1 3.17Å; D14-R21 IonicContact OD2-NH2 3.76Å; D14-R21 PolarHBondContact OD2-NH2 3.45Å
15	F	97.3	Very high	94.7	Very high	31 Å²	31	30 Å²	30	14%	0.136	15%	0.153	C	C	.	.	H	α-helix	trans	-54.7	-38.8	-174.5	-68.9	-71.5	0	0	0	112.7	L13 Y19 V44 C45 L58 H61 V65	L13-F15 HydrophobicContact CB-CE2 4.42Å; L13-F15 HydrophobicContact CD2-CE2 4.32Å; L13-F15 HydrophobicContact CD2-CZ 4.32Å; L13-F15 VanDerWaalsContact O-CD2 3.28Å; L13-F15 WeakPolarHBondContact O-CD2 3.41Å; L13-F15 PolarHBondContact O-N 3.5Å; F15-Y19 WeakPolarHBondContact O-CB 3.23Å; F15-Y19 PolarHBondContact O-N 3.34Å; F15-V44 HydrophobicContact CD1-CG1 4.26Å; F15-V44 HydrophobicContact CE1-CG1 4.47Å; F15-C45 HydrophobicContact CE1-CB 3.9Å; F15-C45 HydrophobicContact CZ-CB 4.33Å; F15-L58 HydrophobicContact CZ-CG 4.46Å; F15-H61 HydrophobicContact CD1-CB 3.95Å; F15-H61 HydrophobicContact CD2-CB 3.62Å; F15-H61 HydrophobicContact CE1-CB 3.79Å; F15-H61 HydrophobicContact CE2-CB 3.45Å; F15-H61 VanDerWaalsContact CE2-CB 3.45Å; F15-H61 AromaticContact CE2-CD2 3.93Å; F15-H61 HydrophobicContact CG-CB 3.87Å; F15-H61 HydrophobicContact CZ-CB 3.55Å; F15-V65 HydrophobicContact CB-CG2 3.83Å; F15-V65 HydrophobicContact CD1-CG2 4.09Å; F15-V65 HydrophobicContact CG-CG2 4.39Å
16	A	97.5	Very high	94.7	Very high	67 Å²	67	30.3 Å²	30.3	55%	0.554	16%	0.155	S	C	*	.	H	α-helix	trans	-67.4	-51.6	177.9	0	0	0	0	0	112.1	D14 N18 Y19 E20	D14-A16 PolarHBondContact O-N 3.05Å; A16-N18 PolarHBondContact O-N 3.36Å; A16-Y19 WeakPolarHBondContact O-CB 3.42Å; A16-Y19 PolarHBondContact O-N 3.07Å; A16-E20 WeakPolarHBondContact O-CG 3.45Å; A16-E20 PolarHBondContact O-N 3.31Å
17	G	96.9	Very high	94.7	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-67.2	-36.2	178.3	0	0	0	0	0	112.7	D14 E20 R21	D14-G17 PolarHBondContact O-N 2.55Å; D14-G17 PolarHBondContact OD1-N 3.04Å; D14-G17 WeakPolarHBondContact OD2-CA 3.46Å; G17-E20 PolarHBondContact O-N 3.08Å; G17-R21 VanDerWaalsContact O-CG 3.27Å; G17-R21 WeakPolarHBondContact O-CG 3.38Å; G17-R21 PolarHBondContact O-N 3.41Å; G17-R21 PolarHBondContact O-NH1 2.94Å
18	N	96	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-43.2	175.6	-67.6	-15.1	0	0	0	111	Q10 W11 D14 A16 R21 I22 V44	Q10-N18 WeakPolarHBondContact CA-OD1 3.27Å; Q10-N18 WeakPolarHBondContact CB-OD1 3.41Å; Q10-N18 PolarHBondContact OE1-OD1 3.33Å; W11-N18 PolarHBondContact N-OD1 2.92Å; W11-N18 PolarHBondContact O-ND2 3.46Å; W11-N18 PolarHBondContact O-OD1 3.2Å; D14-N18 WeakPolarHBondContact O-CB 3.48Å; D14-N18 PolarHBondContact O-N 3.33Å; D14-N18 PolarHBondContact O-ND2 2.82Å; A16-N18 PolarHBondContact O-N 3.36Å; N18-R21 PolarHBondContact O-N 3.45Å; N18-R21 PolarHBondContact OD1-NH1 3.01Å; N18-I22 WeakPolarHBondContact O-CB 3.47Å; N18-I22 WeakPolarHBondContact O-CD1 3.32Å; N18-I22 WeakPolarHBondContact O-CG1 3.41Å; N18-I22 PolarHBondContact O-N 2.85Å; N18-V44 VanDerWaalsContact CB-O 3.29Å; N18-V44 WeakPolarHBondContact CB-O 3.19Å; N18-V44 PolarHBondContact ND2-O 2.84Å
19	Y	94.7	Very high	94.3	Very high	46 Å²	46	36.1 Å²	36.1	18%	0.18	18%	0.181	C	C	.	.	H	α-helix	trans	-55.6	-50	171.6	168.2	-98.4	0	0	0	111.7	F15 A16 R21 I22 L23 V65 E68 L69 H72	F15-Y19 WeakPolarHBondContact O-CB 3.23Å; F15-Y19 PolarHBondContact O-N 3.34Å; A16-Y19 WeakPolarHBondContact O-CB 3.42Å; A16-Y19 PolarHBondContact O-N 3.07Å; Y19-R21 PolarHBondContact O-N 2.93Å; Y19-I22 PolarHBondContact O-N 3.36Å; Y19-L23 HydrophobicContact CE1-CD2 4.16Å; Y19-L23 WeakPolarHBondContact O-CB 3.39Å; Y19-L23 PolarHBondContact O-N 3.1Å; Y19-V65 HydrophobicContact CD2-CG1 4.12Å; Y19-E68 HydrophobicContact CD2-CB 4.44Å; Y19-E68 HydrophobicContact CE2-CB 3.84Å; Y19-L69 HydrophobicContact CD2-CD1 4.45Å; Y19-L69 HydrophobicContact CD2-CD2 3.51Å; Y19-L69 HydrophobicContact CD2-CG 3.66Å; Y19-L69 HydrophobicContact CE2-CD2 3.46Å; Y19-L69 VanDerWaalsContact CE2-CD2 3.46Å; Y19-L69 HydrophobicContact CE2-CG 3.75Å; Y19-H72 PolarHBondContact OH-CD2 3.4Å
20	E	95.6	Very high	93.9	Very high	132 Å²	132	38.6 Å²	38.6	62%	0.617	19%	0.194	S	C	*	.	H	α-helix	trans	-61.1	-43.2	179.8	-73.1	179.8	-175	0	0	112.5	A16 G17 L23 Q24	A16-E20 WeakPolarHBondContact O-CG 3.45Å; A16-E20 PolarHBondContact O-N 3.31Å; G17-E20 PolarHBondContact O-N 3.08Å; E20-L23 PolarHBondContact O-N 3.1Å; E20-Q24 VanDerWaalsContact O-CB 3.31Å; E20-Q24 WeakPolarHBondContact O-CB 3.29Å; E20-Q24 PolarHBondContact O-N 2.99Å
21	R	95.2	Very high	93.5	Very high	24 Å²	24	47.7 Å²	47.7	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-43.3	177.5	-70.6	168	-165.5	113	6.1	111.6	L8 N9 D14 G17 N18 Y19 S25 E252 V253	L8-R21 HydrophobicContact CD1-CB 4.39Å; N9-R21 WeakPolarHBondContact O-CD 3.43Å; N9-R21 VanDerWaalsContact O-CZ 3.32Å; N9-R21 PolarHBondContact O-NE 2.77Å; D14-R21 IonicContact OD2-CZ 2.61Å; D14-R21 IonicContact OD2-NH1 3.54Å; D14-R21 PolarHBondContact OD2-NH1 3.17Å; D14-R21 IonicContact OD2-NH2 3.76Å; D14-R21 PolarHBondContact OD2-NH2 3.45Å; G17-R21 VanDerWaalsContact O-CG 3.27Å; G17-R21 WeakPolarHBondContact O-CG 3.38Å; G17-R21 PolarHBondContact O-N 3.41Å; G17-R21 PolarHBondContact O-NH1 2.94Å; N18-R21 PolarHBondContact O-N 3.45Å; N18-R21 PolarHBondContact OD1-NH1 3.01Å; Y19-R21 PolarHBondContact O-N 2.93Å; R21-S25 WeakPolarHBondContact O-CB 3.31Å; R21-S25 PolarHBondContact O-N 3.23Å; R21-E252 HydrophobicContact CG-CB 4.31Å; R21-E252 IonicContact CZ-OE2 3.47Å; R21-E252 IonicContact NE-OE2 3.94Å; R21-E252 PolarHBondContact NE-OE2 3.49Å; R21-E252 IonicContact NH2-OE2 3.34Å; R21-E252 PolarHBondContact NH2-OE2 2.99Å; R21-V253 HydrophobicContact CB-CG2 3.95Å; R21-V253 HydrophobicContact CG-CG2 4.17Å
22	I	92.7	Very high	93.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-52.3	175.5	-67.9	164	0	0	0	109.5	L8 N18 Y19 Q24 S25 I26 E43 V44 L69 F81	L8-I22 HydrophobicContact CD1-CB 4.33Å; L8-I22 HydrophobicContact CD1-CG1 3.57Å; N18-I22 WeakPolarHBondContact O-CB 3.47Å; N18-I22 WeakPolarHBondContact O-CD1 3.32Å; N18-I22 WeakPolarHBondContact O-CG1 3.41Å; N18-I22 PolarHBondContact O-N 2.85Å; Y19-I22 PolarHBondContact O-N 3.36Å; I22-Q24 VanDerWaalsContact C-N 3.35Å; I22-Q24 PolarHBondContact O-N 3.31Å; I22-S25 WeakPolarHBondContact O-CB 3.4Å; I22-S25 PolarHBondContact O-N 3.32Å; I22-S25 VanDerWaalsContact O-N 3.08Å; I22-S25 PolarHBondContact O-OG 3.17Å; I22-I26 HydrophobicContact CG2-CD1 3.92Å; I22-I26 WeakPolarHBondContact O-CG1 3.11Å; I22-I26 PolarHBondContact O-N 3.42Å; I22-E43 HydrophobicContact CD1-CB 4.43Å; I22-E43 HydrophobicContact CD1-CG 3.87Å; I22-E43 HydrophobicContact CG1-CG 4.22Å; I22-V44 HydrophobicContact CD1-CG2 3.61Å; I22-L69 HydrophobicContact CD1-CD1 4.43Å; I22-L69 HydrophobicContact CG2-CD1 4.15Å; I22-L69 HydrophobicContact CG2-CD2 4.02Å; I22-F81 HydrophobicContact CG2-CD1 4.08Å; I22-F81 HydrophobicContact CG2-CE1 3.54Å
23	L	92.1	Very high	92.6	Very high	23 Å²	23	45 Å²	45	12%	0.12	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-46.5	-179.6	-179.4	62.1	0	0	0	111.9	Y19 E20 S25 I26 E27 I74	Y19-L23 HydrophobicContact CE1-CD2 4.16Å; Y19-L23 WeakPolarHBondContact O-CB 3.39Å; Y19-L23 PolarHBondContact O-N 3.1Å; E20-L23 PolarHBondContact O-N 3.1Å; L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.41Å; L23-I26 WeakPolarHBondContact O-CB 3.48Å; L23-I26 PolarHBondContact O-N 3.44Å; L23-I26 VanDerWaalsContact O-N 3.14Å; L23-E27 PolarHBondContact O-N 3.29Å; L23-I74 HydrophobicContact CD1-CD1 4.34Å
24	Q	92.9	Very high	91.9	Very high	84 Å²	84	42.1 Å²	42.1	39%	0.393	21%	0.214	S	C	.	.	H	α-helix	trans	-61.2	-38	177.4	-169.7	-170.8	71.6	0	0	111.8	E20 I22 I26 K28 V253	E20-Q24 VanDerWaalsContact O-CB 3.31Å; E20-Q24 WeakPolarHBondContact O-CB 3.29Å; E20-Q24 PolarHBondContact O-N 2.99Å; I22-Q24 VanDerWaalsContact C-N 3.35Å; I22-Q24 PolarHBondContact O-N 3.31Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 3.2Å; Q24-K28 HydrophobicContact CG-CD 4.29Å; Q24-K28 WeakPolarHBondContact O-CB 3.36Å; Q24-K28 VanDerWaalsContact O-CG 3.27Å; Q24-K28 WeakPolarHBondContact O-CG 3.28Å; Q24-K28 PolarHBondContact O-N 3.04Å; Q24-V253 HydrophobicContact CB-CG2 4.34Å; Q24-V253 VanDerWaalsContact OE1-CB 3.24Å
25	S	92.1	Very high	91	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-36.8	177.2	80.8	0	0	0	0	112.3	R21 I22 L23 K28 A29 R37	R21-S25 WeakPolarHBondContact O-CB 3.31Å; R21-S25 PolarHBondContact O-N 3.23Å; I22-S25 WeakPolarHBondContact O-CB 3.4Å; I22-S25 PolarHBondContact O-N 3.32Å; I22-S25 VanDerWaalsContact O-N 3.08Å; I22-S25 PolarHBondContact O-OG 3.17Å; L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.41Å; S25-K28 PolarHBondContact O-N 2.96Å; S25-A29 WeakPolarHBondContact O-CB 3.43Å; S25-A29 PolarHBondContact O-N 2.9Å; S25-R37 VanDerWaalsContact OG-CZ 3.24Å; S25-R37 PolarHBondContact OG-NE 3.46Å; S25-R37 PolarHBondContact OG-NH2 3.37Å
26	I	89.7	Confident	90.2	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-46.2	177.4	-68.1	175.5	0	0	0	110.8	I22 L23 Q24 K28 A29 L30 I74 F79 F81	I22-I26 HydrophobicContact CG2-CD1 3.92Å; I22-I26 WeakPolarHBondContact O-CG1 3.11Å; I22-I26 PolarHBondContact O-N 3.42Å; L23-I26 WeakPolarHBondContact O-CB 3.48Å; L23-I26 PolarHBondContact O-N 3.44Å; L23-I26 VanDerWaalsContact O-N 3.14Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 3.2Å; I26-K28 VanDerWaalsContact C-N 3.33Å; I26-K28 PolarHBondContact O-N 3.08Å; I26-A29 PolarHBondContact O-N 3.09Å; I26-L30 HydrophobicContact CG2-CD1 4.05Å; I26-L30 WeakPolarHBondContact O-CB 3.28Å; I26-L30 PolarHBondContact O-N 2.83Å; I26-I74 HydrophobicContact CG2-CG2 3.99Å; I26-F79 HydrophobicContact CB-CD1 4.04Å; I26-F79 HydrophobicContact CB-CE1 4.22Å; I26-F79 HydrophobicContact CD1-CB 4.43Å; I26-F79 HydrophobicContact CD1-CD1 4.34Å; I26-F79 HydrophobicContact CG1-CD1 3.69Å; I26-F79 HydrophobicContact CG1-CE1 4.2Å; I26-F79 HydrophobicContact CG1-CG 4.37Å; I26-F79 HydrophobicContact CG2-CB 4.31Å; I26-F79 HydrophobicContact CG2-CD1 3.68Å; I26-F79 HydrophobicContact CG2-CD2 4.14Å; I26-F79 HydrophobicContact CG2-CE1 3.96Å; I26-F79 HydrophobicContact CG2-CE2 4.49Å; I26-F79 HydrophobicContact CG2-CG 3.77Å; I26-F79 HydrophobicContact CG2-CZ 4.4Å; I26-F81 HydrophobicContact CD1-CD1 4.1Å; I26-F81 HydrophobicContact CD1-CE1 3.07Å; I26-F81 HydrophobicContact CD1-CE2 3.93Å; I26-F81 HydrophobicContact CD1-CZ 2.97Å; I26-F81 HydrophobicContact CG1-CZ 4.46Å
27	E	89.8	Confident	89.8	Confident	54 Å²	54	43.6 Å²	43.6	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-55.8	-46.7	174	-79.5	-175.6	-172.1	0	0	112.4	L23 L30 R31 I74	L23-E27 PolarHBondContact O-N 3.29Å; E27-L30 WeakPolarHBondContact O-CB 3.3Å; E27-L30 PolarHBondContact O-N 2.66Å; E27-R31 VanDerWaalsContact O-CG 3.32Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 2.9Å; E27-R31 IonicContact OE2-NH2 2.78Å; E27-R31 PolarHBondContact OE2-NH2 3.2Å; E27-I74 HydrophobicContact CG-CD1 3.42Å; E27-I74 VanDerWaalsContact CG-CD1 3.42Å; E27-I74 WeakPolarHBondContact OE1-CD1 3.26Å
28	K	89.9	Confident	89.2	Confident	68 Å²	68	43.5 Å²	43.5	30%	0.296	20%	0.201	S	C	.	.	H	α-helix	trans	-63.8	-43.2	179	-72.5	170.5	172.8	169.6	0	111.6	Q24 S25 I26 R31 A32 V253	Q24-K28 HydrophobicContact CG-CD 4.29Å; Q24-K28 WeakPolarHBondContact O-CB 3.36Å; Q24-K28 VanDerWaalsContact O-CG 3.27Å; Q24-K28 WeakPolarHBondContact O-CG 3.28Å; Q24-K28 PolarHBondContact O-N 3.04Å; S25-K28 PolarHBondContact O-N 2.96Å; I26-K28 VanDerWaalsContact C-N 3.33Å; I26-K28 PolarHBondContact O-N 3.08Å; K28-R31 PolarHBondContact O-N 3.4Å; K28-A32 PolarHBondContact O-N 3.32Å; K28-V253 HydrophobicContact CD-CG1 4.16Å; K28-V253 PolarHBondContact NZ-O 2.94Å
29	A	87.6	Confident	88.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-40.3	177	0	0	0	0	0	111.8	S25 I26 A32 G33 A34 R37 F79	S25-A29 WeakPolarHBondContact O-CB 3.43Å; S25-A29 PolarHBondContact O-N 2.9Å; I26-A29 PolarHBondContact O-N 3.09Å; A29-A32 PolarHBondContact O-N 3.4Å; A29-G33 PolarHBondContact O-N 2.95Å; A29-A34 HydrophobicContact CB-CB 4Å; A29-A34 WeakPolarHBondContact O-CB 3.3Å; A29-A34 PolarHBondContact O-N 3.33Å; A29-R37 HydrophobicContact CB-CB 4.31Å; A29-R37 HydrophobicContact CB-CG 4.39Å; A29-F79 HydrophobicContact CB-CE1 3.51Å; A29-F79 HydrophobicContact CB-CZ 3.59Å
30	L	86.7	Confident	88.4	Confident	51 Å²	51	41.8 Å²	41.8	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-62.3	-46.3	175.2	-92.9	170.7	0	0	0	113.8	I26 E27 A32 G33 I74 A77 F79	I26-L30 HydrophobicContact CG2-CD1 4.05Å; I26-L30 WeakPolarHBondContact O-CB 3.28Å; I26-L30 PolarHBondContact O-N 2.83Å; E27-L30 WeakPolarHBondContact O-CB 3.3Å; E27-L30 PolarHBondContact O-N 2.66Å; L30-A32 PolarHBondContact O-N 3.07Å; L30-G33 WeakPolarHBondContact O-CA 3.4Å; L30-G33 PolarHBondContact O-N 3.46Å; L30-I74 HydrophobicContact CD1-CB 4.41Å; L30-I74 HydrophobicContact CD1-CG2 2.99Å; L30-I74 HydrophobicContact CG-CG2 4.48Å; L30-A77 HydrophobicContact CD2-CB 3.14Å; L30-A77 HydrophobicContact CG-CB 4.16Å; L30-F79 HydrophobicContact CD1-CD2 4.46Å; L30-F79 HydrophobicContact CD1-CE2 4.1Å; L30-F79 HydrophobicContact CD2-CD2 4.49Å; L30-F79 HydrophobicContact CD2-CE2 3.68Å; L30-F79 HydrophobicContact CD2-CZ 4.36Å; L30-F79 HydrophobicContact CG-CD2 4.21Å; L30-F79 HydrophobicContact CG-CE2 3.4Å; L30-F79 VanDerWaalsContact CG-CE2 3.4Å; L30-F79 HydrophobicContact CG-CZ 3.75Å
31	R	88.6	Confident	87.8	Confident	192 Å²	192	35.7 Å²	35.7	73%	0.725	17%	0.168	S	C	*	.	H	α-helix	trans	-60.3	-31.4	176.3	-71.7	176.4	-162.5	158.8	12.8	111.7	E27 K28 G33	E27-R31 VanDerWaalsContact O-CG 3.32Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 2.9Å; E27-R31 IonicContact OE2-NH2 2.78Å; E27-R31 PolarHBondContact OE2-NH2 3.2Å; K28-R31 PolarHBondContact O-N 3.4Å; R31-G33 VanDerWaalsContact C-N 3.25Å; R31-G33 PolarHBondContact O-N 2.95Å
32	A	87.4	Confident	87.4	Confident	32 Å²	32	35.2 Å²	35.2	26%	0.264	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.7	173.8	0	0	0	0	0	113.9	I2 K28 A29 L30 A34 D257	I2-A32 WeakPolarHBondContact CD1-O 3.31Å; K28-A32 PolarHBondContact O-N 3.32Å; A29-A32 PolarHBondContact O-N 3.4Å; L30-A32 PolarHBondContact O-N 3.07Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-D257 WeakPolarHBondContact CB-OD2 3.48Å
33	G	86.1	Confident	87.3	Confident	27 Å²	27	35.5 Å²	35.5	28%	0.278	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	12.9	-178.5	0	0	0	0	0	114.4	A29 L30 R31 R35	A29-G33 PolarHBondContact O-N 2.95Å; L30-G33 WeakPolarHBondContact O-CA 3.4Å; L30-G33 PolarHBondContact O-N 3.46Å; R31-G33 VanDerWaalsContact C-N 3.25Å; R31-G33 PolarHBondContact O-N 2.95Å; G33-R35 PolarHBondContact O-NH1 2.89Å
34	A	84.1	Confident	87.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.			trans	-58.4	139.8	176.4	0	0	0	0	0	111.2	I2 A29 A32	I2-A34 HydrophobicContact CG2-CB 3.94Å; I2-A34 WeakPolarHBondContact O-CA 3.37Å; A29-A34 HydrophobicContact CB-CB 4Å; A29-A34 WeakPolarHBondContact O-CB 3.3Å; A29-A34 PolarHBondContact O-N 3.33Å; A32-A34 VanDerWaalsContact C-N 3.33Å
35	R	78.8	Confident	87.3	Confident	135 Å²	135	30.6 Å²	30.6	51%	0.509	15%	0.146	S	C	.	.	S	Bend	trans	-105.1	-11.3	175.9	-66.7	-65.1	-168.1	-87.9	5.1	112.9	M1 I2 G33	M1-R35 HydrophobicContact CG-CB 4.05Å; M1-R35 HydrophobicContact SD-CB 4.2Å; I2-R35 PolarHBondContact O-N 3.2Å; G33-R35 PolarHBondContact O-NH1 2.89Å
36	L	80.7	Confident	87.2	Confident	20 Å²	20	30.6 Å²	30.6	11%	0.105	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.5	176.3	176.1	65.5	0	0	0	108.2	M1 V3 S4 V38 I181 I215	M1-L36 HydrophobicContact CE-CB 3.54Å; M1-L36 HydrophobicContact CE-CD2 3.96Å; M1-L36 HydrophobicContact CE-CG 4.41Å; V3-L36 HydrophobicContact CG1-CB 4.23Å; V3-L36 HydrophobicContact CG1-CD2 4.14Å; S4-L36 PolarHBondContact N-O 3.35Å; L36-V38 HydrophobicContact CG-CG2 4.34Å; L36-I181 HydrophobicContact CD2-CG2 4.05Å; L36-I215 HydrophobicContact CD2-CD1 4.06Å
37	R	87.7	Confident	87.2	Confident	11 Å²	11	31 Å²	31	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	170.3	173	-92.7	-176.3	-164.1	-5.7	109.5	S4 S6 L8 S25 A29 E43 F79	S4-R37 CarbonylContact O-C 3.58Å; S4-R37 VanDerWaalsContact O-CA 3.22Å; S4-R37 WeakPolarHBondContact O-CA 2.97Å; S6-R37 PolarHBondContact OG-NE 3.04Å; L8-R37 VanDerWaalsContact CD1-NH2 3.32Å; S25-R37 VanDerWaalsContact OG-CZ 3.24Å; S25-R37 PolarHBondContact OG-NE 3.46Å; S25-R37 PolarHBondContact OG-NH2 3.37Å; A29-R37 HydrophobicContact CB-CB 4.31Å; A29-R37 HydrophobicContact CB-CG 4.39Å; R37-E43 IonicContact CZ-OE1 3.14Å; R37-E43 IonicContact CZ-OE2 2.75Å; R37-E43 VanDerWaalsContact NH1-CD 3.32Å; R37-E43 IonicContact NH1-OE1 3Å; R37-E43 PolarHBondContact NH1-OE1 3.39Å; R37-E43 IonicContact NH1-OE2 3.35Å; R37-E43 PolarHBondContact NH1-OE2 3.05Å; R37-E43 IonicContact NH2-OE1 2.94Å; R37-E43 IonicContact NH2-OE2 3.69Å; R37-E43 PolarHBondContact NH2-OE2 3.23Å; R37-F79 HydrophobicContact CB-CD1 3.38Å; R37-F79 HydrophobicContact CB-CE1 3.17Å; R37-F79 HydrophobicContact CB-CZ 4.24Å; R37-F79 HydrophobicContact CG-CD1 4.11Å; R37-F79 HydrophobicContact CG-CE1 3.91Å
38	V	84.6	Confident	87.2	Confident	9 Å²	9	29 Å²	29	6%	0.055	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127	177.6	-169.7	0	0	0	0	108.6	S4 S6 L36 C183 I215 A217	S4-V38 PolarHBondContact O-N 3.47Å; S6-V38 PolarHBondContact N-O 3.35Å; L36-V38 HydrophobicContact CG-CG2 4.34Å; V38-C183 HydrophobicContact CG1-CB 4.15Å; V38-C183 HydrophobicContact CG2-CB 4.06Å; V38-I215 HydrophobicContact CB-CG2 3.99Å; V38-I215 HydrophobicContact CG2-CB 4.28Å; V38-I215 HydrophobicContact CG2-CD1 4.3Å; V38-I215 HydrophobicContact CG2-CG2 3.72Å; V38-A217 HydrophobicContact CB-CB 4.29Å; V38-A217 HydrophobicContact CG1-CB 3.77Å
39	G	86.2	Confident	87.4	Confident	6 Å²	6	25.9 Å²	25.9	6%	0.062	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-103.7	169.6	173.9	0	0	0	0	0	111.7	E43 S185 A217	G39-E43 WeakPolarHBondContact CA-OE2 3.46Å; G39-S185 WeakPolarHBondContact O-CB 3.31Å; G39-S185 PolarHBondContact O-OG 2.89Å; G39-A217 VanDerWaalsContact C-CB 3.43Å; G39-A217 WeakPolarHBondContact O-CB 3.32Å
40	S	87.2	Confident	87.7	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.021	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-72.8	166.4	178.4	59.3	0	0	0	0	112.2	Q219	S40-Q219 VanDerWaalsContact CB-N 3.28Å
41	E	84	Confident	88.1	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.019	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	141	171.3	165.1	170	-131.7	0	0	110.7	E43 Y89 Q160 T186 V187	E41-E43 PolarHBondContact O-N 3.06Å; E41-Y89 WeakPolarHBondContact OE1-CE1 3.46Å; E41-Y89 PolarHBondContact OE1-OH 3.19Å; E41-Q160 VanDerWaalsContact CD-NE2 3.26Å; E41-Q160 PolarHBondContact OE1-NE2 3.07Å; E41-T186 WeakPolarHBondContact OE2-CA 3.36Å; E41-V187 HydrophobicContact CB-CB 4.48Å; E41-V187 HydrophobicContact CB-CG1 3.73Å; E41-V187 HydrophobicContact CB-CG2 4.44Å; E41-V187 HydrophobicContact CG-CG1 4.01Å; E41-V187 HydrophobicContact CG-CG2 3.97Å; E41-V187 WeakPolarHBondContact O-CG1 3.34Å; E41-V187 WeakPolarHBondContact OE2-CG2 3.41Å; E41-V187 PolarHBondContact OE2-N 2.83Å
42	L	87.2	Confident	88.4	Confident	15 Å²	15	23.5 Å²	23.5	8%	0.079	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	31	-179.6	-64.6	173.4	0	0	0	115.6	V44 C45 G46 A47 F53 E87 F104	L42-V44 PolarHBondContact O-N 2.85Å; L42-C45 PolarHBondContact O-N 3.34Å; L42-G46 CarbonylContact O-C 3.51Å; L42-G46 WeakPolarHBondContact O-CA 3.35Å; L42-G46 PolarHBondContact O-N 3.08Å; L42-A47 HydrophobicContact CB-CB 4.32Å; L42-F53 HydrophobicContact CD1-CE1 4.03Å; L42-F53 HydrophobicContact CD1-CZ 3.62Å; L42-E87 HydrophobicContact CD2-CG 4.3Å; L42-E87 VanDerWaalsContact CD2-OE1 3.3Å; L42-E87 WeakPolarHBondContact CD2-OE1 3.34Å; L42-E87 WeakPolarHBondContact CD2-OE2 3.3Å; L42-E87 VanDerWaalsContact CG-OE1 3.27Å; L42-E87 WeakPolarHBondContact CG-OE1 3.41Å; L42-E87 WeakPolarHBondContact CG-OE2 3.4Å; L42-E87 PolarHBondContact N-OE1 2.89Å; L42-F104 HydrophobicContact CD1-CE2 4.39Å; L42-F104 HydrophobicContact CD1-CZ 4.12Å
43	E	90.1	Very high	88.7	Confident	5 Å²	5	22.1 Å²	22.1	2%	0.023	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.5	-169.7	65.2	174.8	178.8	0	0	114.5	L8 Q10 I22 R37 G39 E41	L8-E43 WeakPolarHBondContact CD1-OE2 3.37Å; Q10-E43 VanDerWaalsContact CD-O 3.28Å; Q10-E43 HydrophobicContact CG-CB 4.37Å; Q10-E43 WeakPolarHBondContact CG-O 3.46Å; Q10-E43 PolarHBondContact NE2-O 3.07Å; I22-E43 HydrophobicContact CD1-CB 4.43Å; I22-E43 HydrophobicContact CD1-CG 3.87Å; I22-E43 HydrophobicContact CG1-CG 4.22Å; R37-E43 IonicContact CZ-OE1 3.14Å; R37-E43 IonicContact CZ-OE2 2.75Å; R37-E43 VanDerWaalsContact NH1-CD 3.32Å; R37-E43 IonicContact NH1-OE1 3Å; R37-E43 PolarHBondContact NH1-OE1 3.39Å; R37-E43 IonicContact NH1-OE2 3.35Å; R37-E43 PolarHBondContact NH1-OE2 3.05Å; R37-E43 IonicContact NH2-OE1 2.94Å; R37-E43 IonicContact NH2-OE2 3.69Å; R37-E43 PolarHBondContact NH2-OE2 3.23Å; G39-E43 WeakPolarHBondContact CA-OE2 3.46Å; E41-E43 PolarHBondContact O-N 3.06Å
44	V	91.5	Very high	89	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-48.2	-178.4	160.2	0	0	0	0	112.8	F15 N18 I22 L42 V65 L69 P83	F15-V44 HydrophobicContact CD1-CG1 4.26Å; F15-V44 HydrophobicContact CE1-CG1 4.47Å; N18-V44 VanDerWaalsContact CB-O 3.29Å; N18-V44 WeakPolarHBondContact CB-O 3.19Å; N18-V44 PolarHBondContact ND2-O 2.84Å; I22-V44 HydrophobicContact CD1-CG2 3.61Å; L42-V44 PolarHBondContact O-N 2.85Å; V44-V65 HydrophobicContact CB-CG1 4.38Å; V44-V65 HydrophobicContact CG1-CB 3.74Å; V44-V65 HydrophobicContact CG1-CG1 3.69Å; V44-V65 HydrophobicContact CG1-CG2 4.28Å; V44-V65 HydrophobicContact CG2-CG1 3.81Å; V44-L69 HydrophobicContact CG2-CD1 4.37Å; V44-P83 HydrophobicContact CB-CB 3.6Å; V44-P83 HydrophobicContact CB-CG 4.49Å; V44-P83 HydrophobicContact CG1-CB 4.44Å; V44-P83 HydrophobicContact CG2-CB 3.16Å; V44-P83 HydrophobicContact CG2-CG 3.6Å
45	C	92.8	Very high	89.6	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.02	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-21.3	178	51.7	0	0	0	0	112.5	S12 L13 F15 L42 C49 L58	S12-C45 CarbonylContact C-O 3.55Å; S12-C45 WeakPolarHBondContact CA-O 3.44Å; L13-C45 PolarHBondContact N-O 2.75Å; F15-C45 HydrophobicContact CE1-CB 3.9Å; F15-C45 HydrophobicContact CZ-CB 4.33Å; L42-C45 PolarHBondContact O-N 3.34Å; C45-C49 PolarHBondContact O-SG 3.33Å; C45-C49 VanDerWaalsContact O-SG 3.38Å; C45-L58 HydrophobicContact CB-CD1 4.49Å; C45-L58 HydrophobicContact CB-CD2 4.18Å; C45-L58 HydrophobicContact CB-CG 4.25Å
46	G	91.4	Very high	90.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.			trans	84.5	142.1	-164.9	0	0	0	0	0	110.5	L42 G48 C49	L42-G46 CarbonylContact O-C 3.51Å; L42-G46 WeakPolarHBondContact O-CA 3.35Å; L42-G46 PolarHBondContact O-N 3.08Å; G46-G48 PolarHBondContact O-N 2.94Å; G46-C49 PolarHBondContact O-SG 3.24Å
47	A	88.4	Confident	91	Very high	13 Å²	13	32.5 Å²	32.5	11%	0.107	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-72.9	-30.4	-173.2	0	0	0	0	0	114	L42 C49 V187	L42-A47 HydrophobicContact CB-CB 4.32Å; A47-C49 PolarHBondContact O-N 2.87Å; A47-C49 VanDerWaalsContact O-N 3.09Å; A47-V187 HydrophobicContact CB-CB 3.75Å; A47-V187 HydrophobicContact CB-CG1 3.26Å; A47-V187 HydrophobicContact CB-CG2 3.82Å
48	G	90.9	Very high	91.3	Very high	12 Å²	12	32 Å²	32	12%	0.124	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-75.9	19.9	-175.8	0	0	0	0	0	116.6	S12 G46 Q50 D223	S12-G48 WeakPolarHBondContact OG-CA 3.4Å; S12-G48 PolarHBondContact OG-O 3.39Å; G46-G48 PolarHBondContact O-N 2.94Å; G48-Q50 VanDerWaalsContact C-N 3.28Å; G48-Q50 PolarHBondContact O-N 2.96Å; G48-D223 WeakPolarHBondContact CA-OD2 3.44Å; G48-D223 PolarHBondContact N-OD2 2.96Å
49	C	93.9	Very high	91.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.02	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-67.3	-18.8	-175.6	-71.6	0	0	0	0	115.2	L13 C45 G46 A47 D51 H52 F53 L58	L13-C49 HydrophobicContact CD2-CB 4.5Å; C45-C49 PolarHBondContact O-SG 3.33Å; C45-C49 VanDerWaalsContact O-SG 3.38Å; G46-C49 PolarHBondContact O-SG 3.24Å; A47-C49 PolarHBondContact O-N 2.87Å; A47-C49 VanDerWaalsContact O-N 3.09Å; C49-D51 PolarHBondContact O-N 2.83Å; C49-H52 HydrophobicContact CB-CB 4.18Å; C49-H52 VanDerWaalsContact O-CB 3.29Å; C49-H52 WeakPolarHBondContact O-CB 3.27Å; C49-H52 PolarHBondContact O-CD2 3.3Å; C49-H52 VanDerWaalsContact O-CD2 3.27Å; C49-H52 PolarHBondContact O-N 2.94Å; C49-H52 VanDerWaalsContact O-N 3.12Å; C49-F53 HydrophobicContact CB-CD1 4.26Å; C49-F53 HydrophobicContact CB-CD2 4.23Å; C49-F53 HydrophobicContact CB-CE1 3.85Å; C49-F53 HydrophobicContact CB-CE2 3.82Å; C49-F53 HydrophobicContact CB-CG 4.41Å; C49-F53 HydrophobicContact CB-CZ 3.59Å; C49-L58 HydrophobicContact CB-CD1 3.67Å
50	Q	92.7	Very high	91.9	Very high	50 Å²	50	38.7 Å²	38.7	23%	0.234	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	50	-131.6	-179.7	-50.4	-59.9	-39.1	0	0	112.6	G48 H52 F53 W103 R609	G48-Q50 VanDerWaalsContact C-N 3.28Å; G48-Q50 PolarHBondContact O-N 2.96Å; Q50-H52 PolarHBondContact O-N 3.48Å; Q50-F53 WeakPolarHBondContact O-CB 3.39Å; Q50-F53 WeakPolarHBondContact O-CD2 3.24Å; Q50-F53 WeakPolarHBondContact O-CG 3.18Å; Q50-F53 PolarHBondContact O-N 2.93Å; Q50-W103 VanDerWaalsContact C-CE2 3.49Å; Q50-W103 VanDerWaalsContact CA-CZ2 3.47Å; Q50-W103 HydrophobicContact CB-CZ2 4.06Å; Q50-W103 PolarHBondContact O-NE1 2.99Å; Q50-R609 VanDerWaalsContact CD-NH2 3.34Å; Q50-R609 VanDerWaalsContact OE1-CZ 3.31Å
51	D	95.8	Very high	92.3	Very high	71 Å²	71	41.5 Å²	41.5	38%	0.38	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-64.7	-9.7	-177.2	-73.7	-5.6	0	0	0	114.3	C49 F53 F54 R102 W103	C49-D51 PolarHBondContact O-N 2.83Å; D51-F53 PolarHBondContact O-N 3.09Å; D51-F54 HydrophobicContact CB-CD2 4.06Å; D51-F54 HydrophobicContact CB-CE2 4.43Å; D51-F54 WeakPolarHBondContact O-CB 3.44Å; D51-F54 WeakPolarHBondContact O-CD2 3.44Å; D51-F54 PolarHBondContact O-N 3.1Å; D51-R102 VanDerWaalsContact CG-NH2 3.33Å; D51-R102 IonicContact OD1-CZ 3.38Å; D51-R102 IonicContact OD1-NE 3.97Å; D51-R102 PolarHBondContact OD1-NE 2.92Å; D51-R102 IonicContact OD1-NH2 2.84Å; D51-R102 PolarHBondContact OD1-NH2 3.26Å; D51-R102 VanDerWaalsContact OD1-NH2 3.14Å; D51-R102 IonicContact OD2-CZ 3.9Å; D51-R102 IonicContact OD2-NE 3.8Å; D51-R102 IonicContact OD2-NH2 3.59Å; D51-R102 PolarHBondContact OD2-NH2 3.23Å; D51-W103 PolarHBondContact OD1-NE1 3.32Å
52	H	95.7	Very high	92.6	Very high	73 Å²	73	41.5 Å²	41.5	34%	0.338	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63	-18.4	167.3	-67.6	-78.2	0	0	0	112.4	L13 C49 Q50 F54 E55 L58	L13-H52 HydrophobicContact CD1-CB 4.29Å; L13-H52 HydrophobicContact CD2-CB 4.13Å; C49-H52 HydrophobicContact CB-CB 4.18Å; C49-H52 VanDerWaalsContact O-CB 3.29Å; C49-H52 WeakPolarHBondContact O-CB 3.27Å; C49-H52 PolarHBondContact O-CD2 3.3Å; C49-H52 VanDerWaalsContact O-CD2 3.27Å; C49-H52 PolarHBondContact O-N 2.94Å; C49-H52 VanDerWaalsContact O-N 3.12Å; Q50-H52 PolarHBondContact O-N 3.48Å; H52-F54 PolarHBondContact O-N 3.12Å; H52-E55 IonicContact CE1-OE1 2.67Å; H52-E55 IonicContact CE1-OE2 2.77Å; H52-E55 IonicContact CG-OE1 3.87Å; H52-E55 IonicContact CG-OE2 2.71Å; H52-E55 IonicContact ND1-OE1 3.07Å; H52-E55 PolarHBondContact ND1-OE1 3.37Å; H52-E55 IonicContact ND1-OE2 3.82Å; H52-E55 PolarHBondContact ND1-OE2 3.03Å; H52-E55 WeakPolarHBondContact O-CB 3.41Å; H52-E55 PolarHBondContact O-N 2.68Å; H52-L58 HydrophobicContact CB-CD1 3.99Å; H52-L58 WeakPolarHBondContact O-CD1 3.4Å
53	F	92.8	Very high	92.7	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.013	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-64.5	-14	169.8	-68	-57	0	0	0	113.9	L42 C49 Q50 D51 L58 Y59 L85 W103 F104	L42-F53 HydrophobicContact CD1-CE1 4.03Å; L42-F53 HydrophobicContact CD1-CZ 3.62Å; C49-F53 HydrophobicContact CB-CD1 4.26Å; C49-F53 HydrophobicContact CB-CD2 4.23Å; C49-F53 HydrophobicContact CB-CE1 3.85Å; C49-F53 HydrophobicContact CB-CE2 3.82Å; C49-F53 HydrophobicContact CB-CG 4.41Å; C49-F53 HydrophobicContact CB-CZ 3.59Å; Q50-F53 WeakPolarHBondContact O-CB 3.39Å; Q50-F53 WeakPolarHBondContact O-CD2 3.24Å; Q50-F53 WeakPolarHBondContact O-CG 3.18Å; Q50-F53 PolarHBondContact O-N 2.93Å; D51-F53 PolarHBondContact O-N 3.09Å; F53-L58 HydrophobicContact CD1-CD1 3.74Å; F53-L58 HydrophobicContact CD1-CD2 3.94Å; F53-L58 HydrophobicContact CE1-CD1 4.06Å; F53-L58 HydrophobicContact CE1-CD2 4.27Å; F53-L58 HydrophobicContact CG-CD1 4.44Å; F53-Y59 VanDerWaalsContact O-CE2 3.25Å; F53-Y59 WeakPolarHBondContact O-CE2 3.45Å; F53-Y59 PolarHBondContact O-OH 3.29Å; F53-L85 HydrophobicContact CD1-CD2 4.27Å; F53-W103 HydrophobicContact CB-CB 3.58Å; F53-W103 HydrophobicContact CB-CD2 4.48Å; F53-W103 HydrophobicContact CB-CG 3.74Å; F53-W103 HydrophobicContact CD2-CB 4.16Å; F53-W103 AromaticContact CD2-CD2 3.74Å; F53-W103 HydrophobicContact CD2-CD2 3.74Å; F53-W103 AromaticContact CD2-CE3 3.81Å; F53-W103 HydrophobicContact CD2-CE3 3.81Å; F53-W103 AromaticContact CD2-CG 3.89Å; F53-W103 HydrophobicContact CD2-CG 3.89Å; F53-W103 HydrophobicContact CD2-CZ3 4.49Å; F53-W103 HydrophobicContact CE2-CE3 4.24Å; F53-W103 HydrophobicContact CG-CB 4.2Å; F53-W103 HydrophobicContact CG-CG 4.27Å; F53-F104 HydrophobicContact CB-CZ 4.5Å; F53-F104 HydrophobicContact CD1-CE1 4.18Å; F53-F104 AromaticContact CD1-CZ 3.63Å; F53-F104 HydrophobicContact CD1-CZ 3.63Å; F53-F104 HydrophobicContact CD2-CE2 4.14Å; F53-F104 AromaticContact CD2-CZ 3.94Å; F53-F104 HydrophobicContact CD2-CZ 3.94Å; F53-F104 AromaticContact CE1-CZ 3.72Å; F53-F104 HydrophobicContact CE1-CZ 3.72Å; F53-F104 HydrophobicContact CE2-CE2 4.16Å; F53-F104 HydrophobicContact CE2-CZ 4.03Å; F53-F104 HydrophobicContact CG-CE1 4.43Å; F53-F104 HydrophobicContact CG-CE2 4.39Å; F53-F104 AromaticContact CG-CZ 3.78Å; F53-F104 HydrophobicContact CG-CZ 3.78Å; F53-F104 HydrophobicContact CZ-CE2 4.4Å; F53-F104 AromaticContact CZ-CZ 3.94Å; F53-F104 HydrophobicContact CZ-CZ 3.94Å
54	F	93.5	Very high	92.9	Very high	114 Å²	114	45.7 Å²	45.7	50%	0.5	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-84.4	-13	169.6	-63.5	-56.5	0	0	0	113.3	D51 H52 P56 R102 W103	D51-F54 HydrophobicContact CB-CD2 4.06Å; D51-F54 HydrophobicContact CB-CE2 4.43Å; D51-F54 WeakPolarHBondContact O-CB 3.44Å; D51-F54 WeakPolarHBondContact O-CD2 3.44Å; D51-F54 PolarHBondContact O-N 3.1Å; H52-F54 PolarHBondContact O-N 3.12Å; F54-P56 WeakPolarHBondContact O-CD 3.41Å; F54-R102 WeakPolarHBondContact CE1-O 3.45Å; F54-R102 HydrophobicContact CE2-CG 4.38Å; F54-R102 HydrophobicContact CZ-CG 4.08Å; F54-R102 WeakPolarHBondContact CZ-O 3.19Å; F54-W103 AromaticContact CD2-CD1 3.9Å; F54-W103 AromaticContact CE2-CD1 3.45Å; F54-W103 VanDerWaalsContact CE2-CD1 3.45Å; F54-W103 AromaticContact CE2-NE1 3.79Å; F54-W103 AromaticContact CZ-CD1 3.54Å; F54-W103 HydrophobicContact CZ-CG 4.49Å
55	E	95.3	Very high	92.9	Very high	86 Å²	86	46.2 Å²	46.2	40%	0.402	24%	0.236	S	C	.	.			trans	-85.7	122.5	-176.5	-61.3	175.7	178.3	0	0	110	H52 D57 L58 Y59	H52-E55 IonicContact CE1-OE1 2.67Å; H52-E55 IonicContact CE1-OE2 2.77Å; H52-E55 IonicContact CG-OE1 3.87Å; H52-E55 IonicContact CG-OE2 2.71Å; H52-E55 IonicContact ND1-OE1 3.07Å; H52-E55 PolarHBondContact ND1-OE1 3.37Å; H52-E55 IonicContact ND1-OE2 3.82Å; H52-E55 PolarHBondContact ND1-OE2 3.03Å; H52-E55 WeakPolarHBondContact O-CB 3.41Å; H52-E55 PolarHBondContact O-N 2.68Å; E55-D57 PolarHBondContact O-N 2.92Å; E55-D57 VanDerWaalsContact O-N 3.15Å; E55-L58 WeakPolarHBondContact O-CB 3.3Å; E55-L58 PolarHBondContact O-N 3.4Å; E55-L58 VanDerWaalsContact O-N 3.12Å; E55-Y59 WeakPolarHBondContact O-CD2 3.38Å
56	P	93.8	Very high	92.6	Very high	100 Å²	100	46.6 Å²	46.6	65%	0.649	24%	0.238	S	C	*	.	H	α-helix	trans	-56.7	-29.8	177.4	-27.5	36.3	0	0	0	113.9	F54 L58 Y59 L60	F54-P56 WeakPolarHBondContact O-CD 3.41Å; P56-L58 VanDerWaalsContact C-N 3.25Å; P56-L58 PolarHBondContact O-N 2.97Å; P56-Y59 WeakPolarHBondContact O-CB 3.38Å; P56-Y59 PolarHBondContact O-N 3.21Å; P56-L60 PolarHBondContact O-N 2.97Å
57	D	96	Very high	92.6	Very high	99 Å²	99	46.9 Å²	46.9	53%	0.529	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-35.4	178.7	-72.3	8.8	0	0	0	112	E55 Y59 L60 H61	E55-D57 PolarHBondContact O-N 2.92Å; E55-D57 VanDerWaalsContact O-N 3.15Å; D57-Y59 VanDerWaalsContact C-N 3.25Å; D57-Y59 PolarHBondContact O-N 3.38Å; D57-L60 PolarHBondContact O-N 3.35Å; D57-H61 WeakPolarHBondContact O-CB 3.17Å; D57-H61 PolarHBondContact O-CD2 2.98Å; D57-H61 PolarHBondContact O-N 3.26Å
58	L	94.1	Very high	92.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-41.3	175.1	-174	153.8	0	0	0	110.9	L13 F15 C45 C49 H52 F53 E55 P56 S62 L85	L13-L58 HydrophobicContact CD2-CD1 3.87Å; L13-L58 HydrophobicContact CD2-CG 4.34Å; F15-L58 HydrophobicContact CZ-CG 4.46Å; C45-L58 HydrophobicContact CB-CD1 4.49Å; C45-L58 HydrophobicContact CB-CD2 4.18Å; C45-L58 HydrophobicContact CB-CG 4.25Å; C49-L58 HydrophobicContact CB-CD1 3.67Å; H52-L58 HydrophobicContact CB-CD1 3.99Å; H52-L58 WeakPolarHBondContact O-CD1 3.4Å; F53-L58 HydrophobicContact CD1-CD1 3.74Å; F53-L58 HydrophobicContact CD1-CD2 3.94Å; F53-L58 HydrophobicContact CE1-CD1 4.06Å; F53-L58 HydrophobicContact CE1-CD2 4.27Å; F53-L58 HydrophobicContact CG-CD1 4.44Å; E55-L58 WeakPolarHBondContact O-CB 3.3Å; E55-L58 PolarHBondContact O-N 3.4Å; E55-L58 VanDerWaalsContact O-N 3.12Å; P56-L58 VanDerWaalsContact C-N 3.25Å; P56-L58 PolarHBondContact O-N 2.97Å; L58-S62 VanDerWaalsContact O-CB 3.3Å; L58-S62 WeakPolarHBondContact O-CB 3.49Å; L58-S62 PolarHBondContact O-N 2.82Å; L58-S62 VanDerWaalsContact O-N 3.11Å; L58-S62 PolarHBondContact O-OG 3.33Å; L58-L85 HydrophobicContact CD2-CD1 3.76Å; L58-L85 HydrophobicContact CD2-CD2 3.48Å; L58-L85 VanDerWaalsContact CD2-CD2 3.48Å; L58-L85 HydrophobicContact CD2-CG 4.23Å
59	Y	89.4	Confident	92.6	Very high	76 Å²	76	50 Å²	50	30%	0.298	25%	0.248	S	C	.	.	H	α-helix	trans	-68.9	-44.8	177.1	-59.3	-102.6	0	0	0	112.1	F53 E55 P56 D57 S62 L63 L85	F53-Y59 VanDerWaalsContact O-CE2 3.25Å; F53-Y59 WeakPolarHBondContact O-CE2 3.45Å; F53-Y59 PolarHBondContact O-OH 3.29Å; E55-Y59 WeakPolarHBondContact O-CD2 3.38Å; P56-Y59 WeakPolarHBondContact O-CB 3.38Å; P56-Y59 PolarHBondContact O-N 3.21Å; D57-Y59 VanDerWaalsContact C-N 3.25Å; D57-Y59 PolarHBondContact O-N 3.38Å; Y59-S62 PolarHBondContact O-N 3.37Å; Y59-L63 VanDerWaalsContact O-CG 3.3Å; Y59-L63 WeakPolarHBondContact O-CG 3.46Å; Y59-L63 PolarHBondContact O-N 3.23Å; Y59-L63 VanDerWaalsContact O-N 3.07Å; Y59-L85 VanDerWaalsContact CA-CD1 3.43Å; Y59-L85 HydrophobicContact CD1-CB 3.51Å; Y59-L85 HydrophobicContact CD1-CD1 3.37Å; Y59-L85 HydrophobicContact CD1-CD2 4.05Å; Y59-L85 HydrophobicContact CD1-CG 3.82Å; Y59-L85 HydrophobicContact CE1-CB 3.53Å; Y59-L85 HydrophobicContact CE1-CD1 4Å; Y59-L85 HydrophobicContact CE1-CD2 3.77Å; Y59-L85 HydrophobicContact CE1-CG 3.96Å; Y59-L85 HydrophobicContact CG-CD1 3.7Å
60	L	92.9	Very high	92.1	Very high	78 Å²	78	51.7 Å²	51.7	41%	0.408	26%	0.257	S	S	.	.	H	α-helix	trans	-58.1	-53.9	178.4	177	60.4	0	0	0	111.4	P56 D57 S62 L63 E64	P56-L60 PolarHBondContact O-N 2.97Å; D57-L60 PolarHBondContact O-N 3.35Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 2.88Å; L60-L63 WeakPolarHBondContact O-CB 3.29Å; L60-L63 PolarHBondContact O-N 3.26Å; L60-L63 VanDerWaalsContact O-N 3.09Å; L60-E64 WeakPolarHBondContact O-CG 3.32Å; L60-E64 PolarHBondContact O-N 3.12Å
61	H	95.5	Very high	91.8	Very high	63 Å²	63	54.2 Å²	54.2	29%	0.292	27%	0.267	S	S	.	.	H	α-helix	trans	-67.6	-31.9	-177	-62.2	-42.2	0	0	0	112.6	F15 D57 L63 E64 V65	F15-H61 HydrophobicContact CD1-CB 3.95Å; F15-H61 HydrophobicContact CD2-CB 3.62Å; F15-H61 HydrophobicContact CE1-CB 3.79Å; F15-H61 HydrophobicContact CE2-CB 3.45Å; F15-H61 VanDerWaalsContact CE2-CB 3.45Å; F15-H61 AromaticContact CE2-CD2 3.93Å; F15-H61 HydrophobicContact CG-CB 3.87Å; F15-H61 HydrophobicContact CZ-CB 3.55Å; D57-H61 WeakPolarHBondContact O-CB 3.17Å; D57-H61 PolarHBondContact O-CD2 2.98Å; D57-H61 PolarHBondContact O-N 3.26Å; H61-L63 VanDerWaalsContact C-N 3.32Å; H61-L63 PolarHBondContact O-N 3.42Å; H61-E64 IonicContact CE1-OE2 3.33Å; H61-E64 IonicContact CG-OE2 2.7Å; H61-E64 IonicContact ND1-OE2 3.78Å; H61-E64 PolarHBondContact ND1-OE2 3.37Å; H61-E64 PolarHBondContact O-N 2.94Å; H61-V65 WeakPolarHBondContact O-CG2 3.47Å; H61-V65 PolarHBondContact O-N 3.19Å
62	S	91	Very high	91.3	Very high	4 Å²	4	53 Å²	53	3%	0.028	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-40.3	171.9	-60.7	0	0	0	0	112	L58 Y59 L60 L66	L58-S62 VanDerWaalsContact O-CB 3.3Å; L58-S62 WeakPolarHBondContact O-CB 3.49Å; L58-S62 PolarHBondContact O-N 2.82Å; L58-S62 VanDerWaalsContact O-N 3.11Å; L58-S62 PolarHBondContact O-OG 3.33Å; Y59-S62 PolarHBondContact O-N 3.37Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 2.88Å; S62-L66 WeakPolarHBondContact O-CB 3.34Å; S62-L66 PolarHBondContact O-N 3.26Å
63	L	89.7	Confident	90.5	Very high	29 Å²	29	55 Å²	55	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-67.9	-38.8	175	-67.8	170.5	0	0	0	112	Y59 L60 H61 L66 V67 L84 P119 I121 L122	Y59-L63 VanDerWaalsContact O-CG 3.3Å; Y59-L63 WeakPolarHBondContact O-CG 3.46Å; Y59-L63 PolarHBondContact O-N 3.23Å; Y59-L63 VanDerWaalsContact O-N 3.07Å; L60-L63 WeakPolarHBondContact O-CB 3.29Å; L60-L63 PolarHBondContact O-N 3.26Å; L60-L63 VanDerWaalsContact O-N 3.09Å; H61-L63 VanDerWaalsContact C-N 3.32Å; H61-L63 PolarHBondContact O-N 3.42Å; L63-L66 PolarHBondContact O-N 3.24Å; L63-V67 WeakPolarHBondContact O-CB 3.29Å; L63-V67 VanDerWaalsContact O-CG2 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 2.95Å; L63-L84 HydrophobicContact CD2-CD2 3.95Å; L63-P119 HydrophobicContact CD1-CB 4.24Å; L63-P119 HydrophobicContact CD1-CG 3.97Å; L63-I121 HydrophobicContact CB-CG2 4.15Å; L63-L122 HydrophobicContact CD2-CD1 3.54Å; L63-L122 HydrophobicContact CD2-CG 4.18Å
64	E	93.5	Very high	89.4	Confident	79 Å²	79	57.2 Å²	57.2	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-46.2	175.2	-70.5	173	156	0	0	111.5	L60 H61 L66 V67 E68 I121	L60-E64 WeakPolarHBondContact O-CG 3.32Å; L60-E64 PolarHBondContact O-N 3.12Å; H61-E64 IonicContact CE1-OE2 3.33Å; H61-E64 IonicContact CG-OE2 2.7Å; H61-E64 IonicContact ND1-OE2 3.78Å; H61-E64 PolarHBondContact ND1-OE2 3.37Å; H61-E64 PolarHBondContact O-N 2.94Å; E64-L66 VanDerWaalsContact C-N 3.35Å; E64-L66 PolarHBondContact O-N 3.49Å; E64-V67 WeakPolarHBondContact O-CB 3.16Å; E64-V67 PolarHBondContact O-N 2.83Å; E64-E68 PolarHBondContact O-N 3.12Å; E64-I121 HydrophobicContact CG-CD1 3.7Å
65	V	91.9	Very high	87.6	Confident	13 Å²	13	58.8 Å²	58.8	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-44.6	174.4	169.3	0	0	0	0	111.1	F15 Y19 V44 H61 V67 E68 L69	F15-V65 HydrophobicContact CB-CG2 3.83Å; F15-V65 HydrophobicContact CD1-CG2 4.09Å; F15-V65 HydrophobicContact CG-CG2 4.39Å; Y19-V65 HydrophobicContact CD2-CG1 4.12Å; V44-V65 HydrophobicContact CB-CG1 4.38Å; V44-V65 HydrophobicContact CG1-CB 3.74Å; V44-V65 HydrophobicContact CG1-CG1 3.69Å; V44-V65 HydrophobicContact CG1-CG2 4.28Å; V44-V65 HydrophobicContact CG2-CG1 3.81Å; H61-V65 WeakPolarHBondContact O-CG2 3.47Å; H61-V65 PolarHBondContact O-N 3.19Å; V65-V67 VanDerWaalsContact C-N 3.3Å; V65-V67 PolarHBondContact O-N 2.88Å; V65-E68 PolarHBondContact O-N 3.08Å; V65-L69 HydrophobicContact CG1-CD1 3.77Å; V65-L69 HydrophobicContact CG1-CG 4.32Å; V65-L69 WeakPolarHBondContact O-CB 3.18Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.35Å; V65-L69 PolarHBondContact O-N 3.33Å
66	L	87.3	Confident	85.3	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-41.3	175.7	177	56.2	0	0	0	111.7	S62 L63 E64 L69 I70 F81 P83 L84 L122	S62-L66 WeakPolarHBondContact O-CB 3.34Å; S62-L66 PolarHBondContact O-N 3.26Å; L63-L66 PolarHBondContact O-N 3.24Å; E64-L66 VanDerWaalsContact C-N 3.35Å; E64-L66 PolarHBondContact O-N 3.49Å; L66-L69 PolarHBondContact O-N 3.5Å; L66-I70 HydrophobicContact CD1-CD1 3.82Å; L66-I70 HydrophobicContact CD1-CG1 4.02Å; L66-I70 HydrophobicContact CG-CD1 3.82Å; L66-I70 HydrophobicContact CG-CG1 4.45Å; L66-I70 WeakPolarHBondContact O-CB 3.41Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 2.83Å; L66-F81 HydrophobicContact CD1-CB 4.06Å; L66-P83 HydrophobicContact CB-CG 4.23Å; L66-P83 HydrophobicContact CD1-CG 3.79Å; L66-P83 HydrophobicContact CD2-CG 4.46Å; L66-P83 HydrophobicContact CG-CG 4.36Å; L66-L84 HydrophobicContact CD2-CD2 4.22Å; L66-L84 HydrophobicContact CD2-CG 4.21Å; L66-L122 HydrophobicContact CD2-CD1 4.15Å; L66-L122 HydrophobicContact CD2-CD2 3.89Å; L66-L122 HydrophobicContact CG-CD2 3.97Å
67	V	89.9	Confident	82.8	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-45.5	175.8	159	0	0	0	0	111.5	L63 E64 V65 I70 K71 I121 L122 V125	L63-V67 WeakPolarHBondContact O-CB 3.29Å; L63-V67 VanDerWaalsContact O-CG2 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 2.95Å; E64-V67 WeakPolarHBondContact O-CB 3.16Å; E64-V67 PolarHBondContact O-N 2.83Å; V65-V67 VanDerWaalsContact C-N 3.3Å; V65-V67 PolarHBondContact O-N 2.88Å; V67-I70 PolarHBondContact O-N 3.03Å; V67-K71 HydrophobicContact CG1-CD 4.08Å; V67-K71 VanDerWaalsContact CG1-CE 3.42Å; V67-K71 WeakPolarHBondContact O-CG 3.24Å; V67-K71 PolarHBondContact O-N 3.42Å; V67-I121 HydrophobicContact CG2-CD1 4.32Å; V67-I121 HydrophobicContact CG2-CG1 4.08Å; V67-I121 HydrophobicContact CG2-CG2 4.45Å; V67-L122 HydrophobicContact CG2-CD2 3.67Å; V67-L122 HydrophobicContact CG2-CG 4.3Å; V67-V125 HydrophobicContact CG1-CG2 3.84Å; V67-V125 HydrophobicContact CG2-CG2 4.35Å
68	E	91.2	Very high	80.6	Confident	86 Å²	86	56.7 Å²	56.7	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-41.9	178.8	-68.6	-54	118.9	0	0	111.9	Y19 E64 V65 I70 K71 H72	Y19-E68 HydrophobicContact CD2-CB 4.44Å; Y19-E68 HydrophobicContact CE2-CB 3.84Å; E64-E68 PolarHBondContact O-N 3.12Å; V65-E68 PolarHBondContact O-N 3.08Å; E68-I70 VanDerWaalsContact C-N 3.31Å; E68-I70 PolarHBondContact O-N 3.47Å; E68-K71 PolarHBondContact O-N 3.19Å; E68-K71 IonicContact OE1-NZ 2.83Å; E68-K71 PolarHBondContact OE1-NZ 3.39Å; E68-H72 PolarHBondContact O-N 2.97Å
69	L	87.6	Confident	78.3	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-42.7	173	-72.4	168.6	0	0	0	111.8	Y19 I22 V44 V65 L66 H72 F81	Y19-L69 HydrophobicContact CD2-CD1 4.45Å; Y19-L69 HydrophobicContact CD2-CD2 3.51Å; Y19-L69 HydrophobicContact CD2-CG 3.66Å; Y19-L69 HydrophobicContact CE2-CD2 3.46Å; Y19-L69 VanDerWaalsContact CE2-CD2 3.46Å; Y19-L69 HydrophobicContact CE2-CG 3.75Å; I22-L69 HydrophobicContact CD1-CD1 4.43Å; I22-L69 HydrophobicContact CG2-CD1 4.15Å; I22-L69 HydrophobicContact CG2-CD2 4.02Å; V44-L69 HydrophobicContact CG2-CD1 4.37Å; V65-L69 HydrophobicContact CG1-CD1 3.77Å; V65-L69 HydrophobicContact CG1-CG 4.32Å; V65-L69 WeakPolarHBondContact O-CB 3.18Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.35Å; V65-L69 PolarHBondContact O-N 3.33Å; L66-L69 PolarHBondContact O-N 3.5Å; L69-H72 PolarHBondContact O-N 3.14Å; L69-F81 HydrophobicContact CB-CD1 4.18Å; L69-F81 HydrophobicContact CB-CE1 3.68Å; L69-F81 HydrophobicContact CB-CE2 4.1Å; L69-F81 HydrophobicContact CB-CZ 3.61Å; L69-F81 HydrophobicContact CD1-CD1 3.68Å; L69-F81 HydrophobicContact CD1-CE1 3.5Å; L69-F81 HydrophobicContact CD1-CZ 4.32Å; L69-F81 HydrophobicContact CD2-CE1 3.52Å; L69-F81 HydrophobicContact CD2-CZ 3.76Å; L69-F81 HydrophobicContact CG-CD1 4.31Å; L69-F81 HydrophobicContact CG-CE1 3.72Å; L69-F81 HydrophobicContact CG-CZ 4.06Å
70	I	84.2	Confident	76.3	Confident	39 Å²	39	59.1 Å²	59.1	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-45.5	175.1	-72.8	167.1	0	0	0	109.9	L66 V67 E68 H72 R75 L122 V125 T126	L66-I70 HydrophobicContact CD1-CD1 3.82Å; L66-I70 HydrophobicContact CD1-CG1 4.02Å; L66-I70 HydrophobicContact CG-CD1 3.82Å; L66-I70 HydrophobicContact CG-CG1 4.45Å; L66-I70 WeakPolarHBondContact O-CB 3.41Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 2.83Å; V67-I70 PolarHBondContact O-N 3.03Å; E68-I70 VanDerWaalsContact C-N 3.31Å; E68-I70 PolarHBondContact O-N 3.47Å; I70-H72 PolarHBondContact O-N 3.47Å; I70-R75 VanDerWaalsContact CG2-NH2 3.27Å; I70-R75 PolarHBondContact O-NE 3.42Å; I70-R75 PolarHBondContact O-NH2 2.73Å; I70-L122 HydrophobicContact CD1-CD2 3.94Å; I70-V125 HydrophobicContact CB-CG1 4.37Å; I70-V125 HydrophobicContact CG2-CG1 3.58Å; I70-T126 HydrophobicContact CD1-CG2 4.2Å
71	K	86.6	Confident	73.9	Confident	102 Å²	102	57.5 Å²	57.5	44%	0.443	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-22	-178.6	-73.7	172.3	-172.9	160.3	0	113.7	V67 E68 V125	V67-K71 HydrophobicContact CG1-CD 4.08Å; V67-K71 VanDerWaalsContact CG1-CE 3.42Å; V67-K71 WeakPolarHBondContact O-CG 3.24Å; V67-K71 PolarHBondContact O-N 3.42Å; E68-K71 PolarHBondContact O-N 3.19Å; E68-K71 IonicContact OE1-NZ 2.83Å; E68-K71 PolarHBondContact OE1-NZ 3.39Å; K71-V125 HydrophobicContact CG-CG1 3.84Å
72	H	85.4	Confident	71.4	Confident	45 Å²	45	59 Å²	59	21%	0.208	29%	0.294	C	S	.	.	S	Bend	trans	-57.1	133.1	-171.7	-157.5	-91.4	0	0	0	112.6	Y19 E68 L69 I70 I74 R75	Y19-H72 PolarHBondContact OH-CD2 3.4Å; E68-H72 PolarHBondContact O-N 2.97Å; L69-H72 PolarHBondContact O-N 3.14Å; I70-H72 PolarHBondContact O-N 3.47Å; H72-I74 WeakPolarHBondContact CE1-CD1 3.36Å; H72-I74 WeakPolarHBondContact ND1-CB 3.37Å; H72-I74 VanDerWaalsContact ND1-CG1 3.32Å; H72-I74 WeakPolarHBondContact ND1-CG1 3.44Å; H72-I74 PolarHBondContact O-N 3.47Å; H72-R75 WeakPolarHBondContact O-CG 3.27Å; H72-R75 PolarHBondContact O-N 3.2Å
73	P	78.1	Confident	69	Low	117 Å²	117	59.4 Å²	59.4	76%	0.76	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-57.2	-17.5	-174.2	-27.7	34.7	0	0	0	115.8	R75	P73-R75 PolarHBondContact O-N 2.98Å
74	I	70.9	Confident	66.7	Low	48 Å²	48	61.2 Å²	61.2	25%	0.246	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-68.3	0.3	-179.5	-66.6	-172.9	0	0	0	113	L23 I26 E27 L30 H72 G76	L23-I74 HydrophobicContact CD1-CD1 4.34Å; I26-I74 HydrophobicContact CG2-CG2 3.99Å; E27-I74 HydrophobicContact CG-CD1 3.42Å; E27-I74 VanDerWaalsContact CG-CD1 3.42Å; E27-I74 WeakPolarHBondContact OE1-CD1 3.26Å; L30-I74 HydrophobicContact CD1-CB 4.41Å; L30-I74 HydrophobicContact CD1-CG2 2.99Å; L30-I74 HydrophobicContact CG-CG2 4.48Å; H72-I74 WeakPolarHBondContact CE1-CD1 3.36Å; H72-I74 WeakPolarHBondContact ND1-CB 3.37Å; H72-I74 VanDerWaalsContact ND1-CG1 3.32Å; H72-I74 WeakPolarHBondContact ND1-CG1 3.44Å; H72-I74 PolarHBondContact O-N 3.47Å; I74-G76 PolarHBondContact O-N 3.33Å
75	R	55.3	Low	64.4	Low	148 Å²	148	58.5 Å²	58.5	56%	0.558	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-37	-22.2	172	-88	-178.6	-178	-168.9	-0.4	118	I70 H72 P73 A77	I70-R75 VanDerWaalsContact CG2-NH2 3.27Å; I70-R75 PolarHBondContact O-NE 3.42Å; I70-R75 PolarHBondContact O-NH2 2.73Å; H72-R75 WeakPolarHBondContact O-CG 3.27Å; H72-R75 PolarHBondContact O-N 3.2Å; P73-R75 PolarHBondContact O-N 2.98Å; R75-A77 PolarHBondContact O-N 3.04Å; R75-A77 VanDerWaalsContact O-N 3.13Å
76	G	47.3	Very low	62.1	Low	78 Å²	78	62.8 Å²	62.8	80%	0.804	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-65.9	-10.1	-171.3	0	0	0	0	0	116.5	I74	I74-G76 PolarHBondContact O-N 3.33Å
77	A	41.6	Very low	60.2	Low	13 Å²	13	63.4 Å²	63.4	11%	0.107	31%	0.314	C	S	.	.	S	Bend	trans	-120.4	144.1	166.3	0	0	0	0	0	110.4	L30 R75 F79	L30-A77 HydrophobicContact CD2-CB 3.14Å; L30-A77 HydrophobicContact CG-CB 4.16Å; R75-A77 PolarHBondContact O-N 3.04Å; R75-A77 VanDerWaalsContact O-N 3.13Å; A77-F79 HydrophobicContact CB-CD2 3.62Å; A77-F79 HydrophobicContact CB-CE2 3.48Å; A77-F79 VanDerWaalsContact CB-CE2 3.48Å; A77-F79 WeakPolarHBondContact O-CD2 3.34Å; A77-F79 PolarHBondContact O-N 2.93Å
78	Y	48.7	Very low	58.2	Low	150 Å²	150	64.7 Å²	64.7	59%	0.588	32%	0.321	S	S	*	.			trans	-69.7	72.9	-177.1	-63.9	-91.3	0	0	0	111.7	R80 W142	Y78-R80 PolarHBondContact O-N 3.1Å; Y78-W142 HydrophobicContact CD1-CH2 4.39Å; Y78-W142 AromaticContact CD1-CZ2 3.54Å; Y78-W142 HydrophobicContact CD1-CZ2 3.54Å; Y78-W142 AromaticContact CD2-CH2 3.77Å; Y78-W142 HydrophobicContact CD2-CH2 3.77Å; Y78-W142 AromaticContact CD2-CZ2 3.6Å; Y78-W142 HydrophobicContact CD2-CZ2 3.6Å; Y78-W142 HydrophobicContact CE1-CH2 4.24Å; Y78-W142 AromaticContact CE1-CZ2 3.67Å; Y78-W142 HydrophobicContact CE1-CZ2 3.67Å; Y78-W142 AromaticContact CE2-CH2 3.63Å; Y78-W142 HydrophobicContact CE2-CH2 3.63Å; Y78-W142 AromaticContact CE2-CZ2 3.76Å; Y78-W142 HydrophobicContact CE2-CZ2 3.76Å; Y78-W142 HydrophobicContact CG-CH2 4.14Å; Y78-W142 AromaticContact CG-CZ2 3.48Å; Y78-W142 HydrophobicContact CG-CZ2 3.48Å; Y78-W142 VanDerWaalsContact CG-CZ2 3.48Å; Y78-W142 AromaticContact CZ-CH2 3.86Å; Y78-W142 AromaticContact CZ-CZ2 3.78Å
79	F	46.9	Very low	56.4	Low	20 Å²	20	60.8 Å²	60.8	9%	0.088	30%	0.302	C	S	.	.			trans	-88.2	92.6	170.6	-78.5	-101.9	0	0	0	107.1	I26 A29 L30 R37 A77 F81	I26-F79 HydrophobicContact CB-CD1 4.04Å; I26-F79 HydrophobicContact CB-CE1 4.22Å; I26-F79 HydrophobicContact CD1-CB 4.43Å; I26-F79 HydrophobicContact CD1-CD1 4.34Å; I26-F79 HydrophobicContact CG1-CD1 3.69Å; I26-F79 HydrophobicContact CG1-CE1 4.2Å; I26-F79 HydrophobicContact CG1-CG 4.37Å; I26-F79 HydrophobicContact CG2-CB 4.31Å; I26-F79 HydrophobicContact CG2-CD1 3.68Å; I26-F79 HydrophobicContact CG2-CD2 4.14Å; I26-F79 HydrophobicContact CG2-CE1 3.96Å; I26-F79 HydrophobicContact CG2-CE2 4.49Å; I26-F79 HydrophobicContact CG2-CG 3.77Å; I26-F79 HydrophobicContact CG2-CZ 4.4Å; A29-F79 HydrophobicContact CB-CE1 3.51Å; A29-F79 HydrophobicContact CB-CZ 3.59Å; L30-F79 HydrophobicContact CD1-CD2 4.46Å; L30-F79 HydrophobicContact CD1-CE2 4.1Å; L30-F79 HydrophobicContact CD2-CD2 4.49Å; L30-F79 HydrophobicContact CD2-CE2 3.68Å; L30-F79 HydrophobicContact CD2-CZ 4.36Å; L30-F79 HydrophobicContact CG-CD2 4.21Å; L30-F79 HydrophobicContact CG-CE2 3.4Å; L30-F79 VanDerWaalsContact CG-CE2 3.4Å; L30-F79 HydrophobicContact CG-CZ 3.75Å; R37-F79 HydrophobicContact CB-CD1 3.38Å; R37-F79 HydrophobicContact CB-CE1 3.17Å; R37-F79 HydrophobicContact CB-CZ 4.24Å; R37-F79 HydrophobicContact CG-CD1 4.11Å; R37-F79 HydrophobicContact CG-CE1 3.91Å; A77-F79 HydrophobicContact CB-CD2 3.62Å; A77-F79 HydrophobicContact CB-CE2 3.48Å; A77-F79 VanDerWaalsContact CB-CE2 3.48Å; A77-F79 WeakPolarHBondContact O-CD2 3.34Å; A77-F79 PolarHBondContact O-N 2.93Å; F79-F81 VanDerWaalsContact O-CD2 3.24Å; F79-F81 WeakPolarHBondContact O-CD2 3.47Å; F79-F81 PolarHBondContact O-N 3.13Å; F79-F81 VanDerWaalsContact O-N 3.11Å
80	R	46.9	Very low	55	Low	108 Å²	108	61.6 Å²	61.6	41%	0.408	31%	0.312	S	S	.	.			trans	-73.4	104.4	172.6	-82.9	-170.7	180	-162.5	-3.2	108.8	Y78 F82 C139 A140	Y78-R80 PolarHBondContact O-N 3.1Å; R80-F82 HydrophobicContact CB-CE2 3.79Å; R80-F82 HydrophobicContact CB-CZ 4.37Å; R80-C139 PolarHBondContact NH1-O 3.49Å; R80-C139 PolarHBondContact NH1-SG 2.9Å; R80-A140 VanDerWaalsContact NH1-CB 3.34Å
81	F	42.3	Very low	54	Low	45 Å²	45	63 Å²	63	20%	0.197	32%	0.322	C	S	.	.			trans	-67.4	132.3	164	-65.5	-87.8	0	0	0	109.3	I22 I26 L66 L69 F79 P83	I22-F81 HydrophobicContact CG2-CD1 4.08Å; I22-F81 HydrophobicContact CG2-CE1 3.54Å; I26-F81 HydrophobicContact CD1-CD1 4.1Å; I26-F81 HydrophobicContact CD1-CE1 3.07Å; I26-F81 HydrophobicContact CD1-CE2 3.93Å; I26-F81 HydrophobicContact CD1-CZ 2.97Å; I26-F81 HydrophobicContact CG1-CZ 4.46Å; L66-F81 HydrophobicContact CD1-CB 4.06Å; L69-F81 HydrophobicContact CB-CD1 4.18Å; L69-F81 HydrophobicContact CB-CE1 3.68Å; L69-F81 HydrophobicContact CB-CE2 4.1Å; L69-F81 HydrophobicContact CB-CZ 3.61Å; L69-F81 HydrophobicContact CD1-CD1 3.68Å; L69-F81 HydrophobicContact CD1-CE1 3.5Å; L69-F81 HydrophobicContact CD1-CZ 4.32Å; L69-F81 HydrophobicContact CD2-CE1 3.52Å; L69-F81 HydrophobicContact CD2-CZ 3.76Å; L69-F81 HydrophobicContact CG-CD1 4.31Å; L69-F81 HydrophobicContact CG-CE1 3.72Å; L69-F81 HydrophobicContact CG-CZ 4.06Å; F79-F81 VanDerWaalsContact O-CD2 3.24Å; F79-F81 WeakPolarHBondContact O-CD2 3.47Å; F79-F81 PolarHBondContact O-N 3.13Å; F79-F81 VanDerWaalsContact O-N 3.11Å; F81-P83 VanDerWaalsContact C-CD 3.48Å; F81-P83 HydrophobicContact CB-CG 4.31Å
82	F	44.3	Very low	53.5	Low	94 Å²	94	59 Å²	59	41%	0.412	31%	0.305	S	S	.	.			trans	-120.9	85.4	161.5	-67.1	-91.1	0	0	0	109.6	R80 C139 I158	R80-F82 HydrophobicContact CB-CE2 3.79Å; R80-F82 HydrophobicContact CB-CZ 4.37Å; F82-C139 HydrophobicContact CE1-CB 4.17Å; F82-C139 WeakPolarHBondContact CE1-SG 3.43Å; F82-C139 HydrophobicContact CZ-CB 3.69Å; F82-C139 WeakPolarHBondContact CZ-SG 3.38Å; F82-I158 HydrophobicContact CD2-CD1 4.33Å; F82-I158 HydrophobicContact CE2-CD1 3.29Å; F82-I158 HydrophobicContact CZ-CD1 3.41Å; F82-I158 VanDerWaalsContact CZ-CD1 3.41Å
83	P	39	Very low	53.1	Low	13 Å²	13	56.8 Å²	56.8	8%	0.084	30%	0.295	C	S	.	.			trans	-121.6	71.3	162.1	33.6	-13.2	0	0	0	106.3	V44 L66 F81	V44-P83 HydrophobicContact CB-CB 3.6Å; V44-P83 HydrophobicContact CB-CG 4.49Å; V44-P83 HydrophobicContact CG1-CB 4.44Å; V44-P83 HydrophobicContact CG2-CB 3.16Å; V44-P83 HydrophobicContact CG2-CG 3.6Å; L66-P83 HydrophobicContact CB-CG 4.23Å; L66-P83 HydrophobicContact CD1-CG 3.79Å; L66-P83 HydrophobicContact CD2-CG 4.46Å; L66-P83 HydrophobicContact CG-CG 4.36Å; F81-P83 VanDerWaalsContact C-CD 3.48Å; F81-P83 HydrophobicContact CB-CG 4.31Å
84	L	41.5	Very low	53.4	Low	67 Å²	67	54.5 Å²	54.5	35%	0.351	28%	0.277	S	S	.	.			trans	-116.5	123.7	165.5	-81.4	163.7	0	0	0	105.9	L63 L66 F86 E87 L122	L63-L84 HydrophobicContact CD2-CD2 3.95Å; L66-L84 HydrophobicContact CD2-CD2 4.22Å; L66-L84 HydrophobicContact CD2-CG 4.21Å; L84-F86 CarbonylContact O-C 3.58Å; L84-F86 PolarHBondContact O-N 3.49Å; L84-E87 PolarHBondContact O-N 3.04Å; L84-L122 HydrophobicContact CD2-CD1 4.45Å
85	L	45.7	Very low	53.9	Low	21 Å²	21	54.3 Å²	54.3	11%	0.11	28%	0.28	C	S	.	.	S	Bend	trans	-57.7	4	169.7	-78.5	141.5	0	0	0	114.1	F53 L58 Y59 E87 F104	F53-L85 HydrophobicContact CD1-CD2 4.27Å; L58-L85 HydrophobicContact CD2-CD1 3.76Å; L58-L85 HydrophobicContact CD2-CD2 3.48Å; L58-L85 VanDerWaalsContact CD2-CD2 3.48Å; L58-L85 HydrophobicContact CD2-CG 4.23Å; Y59-L85 VanDerWaalsContact CA-CD1 3.43Å; Y59-L85 HydrophobicContact CD1-CB 3.51Å; Y59-L85 HydrophobicContact CD1-CD1 3.37Å; Y59-L85 HydrophobicContact CD1-CD2 4.05Å; Y59-L85 HydrophobicContact CD1-CG 3.82Å; Y59-L85 HydrophobicContact CE1-CB 3.53Å; Y59-L85 HydrophobicContact CE1-CD1 4Å; Y59-L85 HydrophobicContact CE1-CD2 3.77Å; Y59-L85 HydrophobicContact CE1-CG 3.96Å; Y59-L85 HydrophobicContact CG-CD1 3.7Å; L85-E87 VanDerWaalsContact C-N 3.26Å; L85-E87 PolarHBondContact O-N 3.24Å; L85-F104 HydrophobicContact CD2-CE1 4.42Å
86	F	43.7	Very low	55.3	Low	103 Å²	103	48.6 Å²	48.6	45%	0.452	27%	0.266	S	S	.	.			trans	-91.5	68	160.3	-60.6	-82.1	0	0	0	107.8	L84 D88 Y116	L84-F86 CarbonylContact O-C 3.58Å; L84-F86 PolarHBondContact O-N 3.49Å; F86-D88 PolarHBondContact O-N 2.87Å; F86-Y116 HydrophobicContact CD1-CE2 4.33Å; F86-Y116 HydrophobicContact CD2-CE2 4.16Å; F86-Y116 HydrophobicContact CE1-CD2 4.48Å; F86-Y116 AromaticContact CE1-CE2 3.74Å; F86-Y116 HydrophobicContact CE1-CE2 3.74Å; F86-Y116 HydrophobicContact CE2-CE1 4.2Å; F86-Y116 AromaticContact CE2-CE2 3.58Å; F86-Y116 HydrophobicContact CE2-CE2 3.58Å; F86-Y116 AromaticContact CE2-CZ 3.34Å; F86-Y116 WeakPolarHBondContact CE2-OH 2.84Å; F86-Y116 HydrophobicContact CZ-CD2 4.42Å; F86-Y116 AromaticContact CZ-CE2 3.34Å; F86-Y116 HydrophobicContact CZ-CE2 3.34Å; F86-Y116 AromaticContact CZ-CZ 3.55Å; F86-Y116 VanDerWaalsContact CZ-OH 3.24Å; F86-Y116 WeakPolarHBondContact CZ-OH 3.35Å
87	E	48.1	Very low	57.3	Low	24 Å²	24	45 Å²	45	11%	0.112	23%	0.229	C	C	.	.			trans	-76.4	113.1	168.4	-69.3	-176.1	133.6	0	0	107.1	L42 L84 L85 Y89 Q160	L42-E87 HydrophobicContact CD2-CG 4.3Å; L42-E87 VanDerWaalsContact CD2-OE1 3.3Å; L42-E87 WeakPolarHBondContact CD2-OE1 3.34Å; L42-E87 WeakPolarHBondContact CD2-OE2 3.3Å; L42-E87 VanDerWaalsContact CG-OE1 3.27Å; L42-E87 WeakPolarHBondContact CG-OE1 3.41Å; L42-E87 WeakPolarHBondContact CG-OE2 3.4Å; L42-E87 PolarHBondContact N-OE1 2.89Å; L84-E87 PolarHBondContact O-N 3.04Å; L85-E87 VanDerWaalsContact C-N 3.26Å; L85-E87 PolarHBondContact O-N 3.24Å; E87-Y89 HydrophobicContact CB-CD2 3.5Å; E87-Y89 VanDerWaalsContact CB-CD2 3.5Å; E87-Y89 HydrophobicContact CB-CE2 3.19Å; E87-Y89 HydrophobicContact CB-CG 4.4Å; E87-Y89 VanDerWaalsContact CD-OH 3.23Å; E87-Y89 HydrophobicContact CG-CE2 4.05Å; E87-Y89 WeakPolarHBondContact O-CD2 3.44Å; E87-Y89 PolarHBondContact O-N 2.74Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.31Å; E87-Y89 PolarHBondContact OE2-OH 3.33Å; E87-Q160 VanDerWaalsContact CD-NE2 3.3Å; E87-Q160 PolarHBondContact OE1-NE2 3.4Å
88	D	47	Very low	59.5	Low	33 Å²	33	45.4 Å²	45.4	18%	0.176	23%	0.229	C	C	.	.			trans	-71.9	71.1	172.9	-93.9	-29.8	0	0	0	109.5	F86 G90 W107 V134 S135	F86-D88 PolarHBondContact O-N 2.87Å; D88-G90 PolarHBondContact O-N 2.88Å; D88-W107 HydrophobicContact CB-CB 4.37Å; D88-W107 WeakPolarHBondContact OD1-CB 3.12Å; D88-V134 VanDerWaalsContact OD2-O 3.06Å; D88-S135 WeakPolarHBondContact OD2-CA 3.36Å; D88-S135 PolarHBondContact OD2-N 3.05Å
89	Y	53.8	Low	61.3	Low	3 Å²	3	41.1 Å²	41.1	1%	0.012	21%	0.211	C	C	.	.			trans	-71.2	97.5	169.7	-69	-79.1	0	0	0	108.4	E41 E87 V91 L92 F104 A106 W107 Q160	E41-Y89 WeakPolarHBondContact OE1-CE1 3.46Å; E41-Y89 PolarHBondContact OE1-OH 3.19Å; E87-Y89 HydrophobicContact CB-CD2 3.5Å; E87-Y89 VanDerWaalsContact CB-CD2 3.5Å; E87-Y89 HydrophobicContact CB-CE2 3.19Å; E87-Y89 HydrophobicContact CB-CG 4.4Å; E87-Y89 VanDerWaalsContact CD-OH 3.23Å; E87-Y89 HydrophobicContact CG-CE2 4.05Å; E87-Y89 WeakPolarHBondContact O-CD2 3.44Å; E87-Y89 PolarHBondContact O-N 2.74Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.31Å; E87-Y89 PolarHBondContact OE2-OH 3.33Å; Y89-V91 PolarHBondContact O-N 3.41Å; Y89-L92 HydrophobicContact CD1-CD2 3.92Å; Y89-L92 HydrophobicContact CD2-CD2 3.37Å; Y89-L92 HydrophobicContact CE2-CD2 4.06Å; Y89-L92 HydrophobicContact CG-CD2 3.27Å; Y89-L92 HydrophobicContact CG-CG 4.33Å; Y89-F104 HydrophobicContact CD2-CB 4.35Å; Y89-F104 HydrophobicContact CE2-CB 4.45Å; Y89-F104 HydrophobicContact CE2-CD2 4.18Å; Y89-F104 HydrophobicContact CE2-CG 4.17Å; Y89-A106 CarbonylContact O-C 3.32Å; Y89-A106 WeakPolarHBondContact O-CA 3.32Å; Y89-A106 VanDerWaalsContact O-CB 3.32Å; Y89-A106 WeakPolarHBondContact O-CB 3.47Å; Y89-W107 PolarHBondContact O-N 2.99Å; Y89-Q160 HydrophobicContact CE1-CG 4.29Å; Y89-Q160 VanDerWaalsContact CZ-NE2 3.34Å; Y89-Q160 PolarHBondContact OH-NE2 2.97Å; Y89-Q160 VanDerWaalsContact OH-NE2 3.16Å
90	G	57.4	Low	63.2	Low	23 Å²	23	40.7 Å²	40.7	24%	0.237	21%	0.209	C	C	.	.	S	Bend	trans	-58.6	-32.1	167.9	0	0	0	0	0	110.7	D88 F136	D88-G90 PolarHBondContact O-N 2.88Å; G90-F136 VanDerWaalsContact CA-CZ 3.42Å; G90-F136 VanDerWaalsContact N-CZ 3.28Å
91	V	64.9	Low	65.1	Low	67 Å²	67	39 Å²	39	41%	0.406	22%	0.215	S	C	.	.	S	Bend	trans	-144.5	130.5	168	-163.6	0	0	0	0	111.5	Y89 S162 Y167	Y89-V91 PolarHBondContact O-N 3.41Å; V91-S162 PolarHBondContact O-OG 3.25Å; V91-Y167 HydrophobicContact CB-CD1 4.35Å; V91-Y167 HydrophobicContact CB-CE1 3.42Å; V91-Y167 VanDerWaalsContact CB-CE1 3.42Å; V91-Y167 HydrophobicContact CB-CE2 4.24Å; V91-Y167 WeakPolarHBondContact CB-OH 3.08Å; V91-Y167 HydrophobicContact CG1-CE1 3.85Å; V91-Y167 WeakPolarHBondContact CG1-OH 3.43Å; V91-Y167 HydrophobicContact CG2-CD1 4.01Å; V91-Y167 HydrophobicContact CG2-CE1 3.29Å
92	L	75.6	Confident	67.5	Low	18 Å²	18	43.2 Å²	43.2	9%	0.094	23%	0.229	C	C	.	.			trans	-84	151.6	176.5	-63	168.7	0	0	0	110.8	Y89 E100 F104 A106	Y89-L92 HydrophobicContact CD1-CD2 3.92Å; Y89-L92 HydrophobicContact CD2-CD2 3.37Å; Y89-L92 HydrophobicContact CE2-CD2 4.06Å; Y89-L92 HydrophobicContact CG-CD2 3.27Å; Y89-L92 HydrophobicContact CG-CG 4.33Å; L92-E100 HydrophobicContact CB-CB 3.96Å; L92-E100 HydrophobicContact CD2-CB 3.84Å; L92-E100 HydrophobicContact CG-CB 4.44Å; L92-F104 HydrophobicContact CD1-CB 4.36Å; L92-F104 WeakPolarHBondContact CD1-O 3.44Å; L92-F104 HydrophobicContact CD2-CB 3.76Å; L92-A106 HydrophobicContact CD1-CB 4Å; L92-A106 HydrophobicContact CG-CB 4.03Å
93	N	77	Confident	69.6	Low	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.			trans	-100.6	112.3	177.9	179.5	15.3	0	0	0	111.3	S95 H98 R99 E100 S163 N164	N93-S95 PolarHBondContact OD1-N 2.75Å; N93-S95 VanDerWaalsContact OD1-N 3.15Å; N93-S95 PolarHBondContact OD1-OG 2.84Å; N93-H98 HydrophobicContact CB-CB 4.05Å; N93-H98 VanDerWaalsContact CG-CB 3.45Å; N93-H98 WeakPolarHBondContact ND2-CB 3.47Å; N93-H98 PolarHBondContact ND2-CD2 3.42Å; N93-H98 PolarHBondContact ND2-ND1 3.12Å; N93-H98 PolarHBondContact ND2-NE2 3.32Å; N93-H98 CarbonylContact O-C 3.55Å; N93-H98 WeakPolarHBondContact O-CB 3.39Å; N93-R99 PolarHBondContact O-N 3.32Å; N93-E100 WeakPolarHBondContact CB-OE2 3.36Å; N93-E100 PolarHBondContact N-OE2 3.34Å; N93-E100 PolarHBondContact O-N 3.15Å; N93-E100 VanDerWaalsContact O-N 3.08Å; N93-S163 PolarHBondContact ND2-OG 3.37Å; N93-N164 PolarHBondContact OD1-ND2 3.39Å
94	D	84.6	Confident	71.8	Confident	69 Å²	69	40.9 Å²	40.9	37%	0.369	22%	0.216	S	C	.	.			trans	-115.8	25.8	176.3	-59.9	-56.6	0	0	0	112.4	H98 R99 E100 S101	D94-H98 CarbonylContact C-O 3.49Å; D94-H98 VanDerWaalsContact CA-O 3.29Å; D94-H98 WeakPolarHBondContact CA-O 3.43Å; D94-R99 PolarHBondContact O-NH1 3.5Å; D94-R99 VanDerWaalsContact OD1-CA 3.27Å; D94-R99 WeakPolarHBondContact OD1-CA 3.4Å; D94-E100 PolarHBondContact OD1-N 3.18Å; D94-S101 WeakPolarHBondContact OD1-CB 3.47Å; D94-S101 PolarHBondContact OD1-N 2.99Å; D94-S101 PolarHBondContact OD1-OG 3.34Å; D94-S101 WeakPolarHBondContact OD2-CB 3.33Å; D94-S101 PolarHBondContact OD2-OG 3.36Å
95	S	81.1	Confident	73.7	Confident	44 Å²	44	41.9 Å²	41.9	31%	0.308	24%	0.235	S	C	.	.	S	Bend	trans	-103.8	148.7	-179.7	70.5	0	0	0	0	112.6	N93 L97 H98 N164	N93-S95 PolarHBondContact OD1-N 2.75Å; N93-S95 VanDerWaalsContact OD1-N 3.15Å; N93-S95 PolarHBondContact OD1-OG 2.84Å; S95-L97 PolarHBondContact O-N 2.98Å; S95-H98 WeakPolarHBondContact O-CB 3.29Å; S95-H98 PolarHBondContact O-N 3.42Å; S95-N164 PolarHBondContact OG-ND2 2.84Å
96	G	84.8	Confident	75.2	Confident	27 Å²	27	43.1 Å²	43.1	28%	0.278	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-119.6	179	0	0	0	0	0	112.1	R99 F610	G96-R99 VanDerWaalsContact O-CZ 3.28Å; G96-R99 PolarHBondContact O-NH1 3.41Å; G96-R99 PolarHBondContact O-NH2 2.81Å; G96-F610 VanDerWaalsContact C-CD2 3.48Å; G96-F610 VanDerWaalsContact CA-CE2 3.48Å
97	L	88.3	Confident	76.5	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.6	175.4	-73	172.4	0	0	0	113.8	S95 Y189 V227 H599 R609 F610	S95-L97 PolarHBondContact O-N 2.98Å; L97-Y189 HydrophobicContact CB-CD1 4.45Å; L97-Y189 HydrophobicContact CB-CE1 3.8Å; L97-Y189 HydrophobicContact CD1-CD1 4.48Å; L97-Y189 HydrophobicContact CD1-CE1 4.26Å; L97-Y189 HydrophobicContact CD1-CE2 4.37Å; L97-Y189 HydrophobicContact CG-CE1 4.44Å; L97-V227 HydrophobicContact CD1-CG1 3.25Å; L97-H599 HydrophobicContact CD1-CB 3.95Å; L97-R609 HydrophobicContact CD2-CB 3.34Å; L97-R609 HydrophobicContact CD2-CG 4.5Å; L97-R609 PolarHBondContact O-NH2 3.35Å; L97-F610 HydrophobicContact CD2-CB 3.63Å; L97-F610 HydrophobicContact CD2-CD2 4.19Å; L97-F610 HydrophobicContact CD2-CG 4.34Å; L97-F610 HydrophobicContact CG-CB 4.2Å; L97-F610 HydrophobicContact CG-CD2 3.81Å; L97-F610 HydrophobicContact CG-CG 4.38Å
98	H	87.1	Confident	77.7	Confident	21 Å²	21	45.4 Å²	45.4	10%	0.097	26%	0.262	C	S	.	.			trans	-81	141.8	179.4	-60	-93.8	0	0	0	111.2	N93 D94 S95 E100 V187 Y189	N93-H98 HydrophobicContact CB-CB 4.05Å; N93-H98 VanDerWaalsContact CG-CB 3.45Å; N93-H98 WeakPolarHBondContact ND2-CB 3.47Å; N93-H98 PolarHBondContact ND2-CD2 3.42Å; N93-H98 PolarHBondContact ND2-ND1 3.12Å; N93-H98 PolarHBondContact ND2-NE2 3.32Å; N93-H98 CarbonylContact O-C 3.55Å; N93-H98 WeakPolarHBondContact O-CB 3.39Å; D94-H98 CarbonylContact C-O 3.49Å; D94-H98 VanDerWaalsContact CA-O 3.29Å; D94-H98 WeakPolarHBondContact CA-O 3.43Å; S95-H98 WeakPolarHBondContact O-CB 3.29Å; S95-H98 PolarHBondContact O-N 3.42Å; H98-E100 IonicContact ND1-OE1 2.79Å; H98-V187 PolarHBondContact CE1-O 2.91Å; H98-Y189 AromaticContact CD2-CE1 3.52Å; H98-Y189 AromaticContact NE2-CD1 3.61Å; H98-Y189 AromaticContact NE2-CE1 3.33Å; H98-Y189 VanDerWaalsContact NE2-CE1 3.33Å; H98-Y189 WeakPolarHBondContact NE2-CE1 3.44Å
99	R	88.5	Confident	79	Confident	60 Å²	60	47.4 Å²	47.4	23%	0.226	27%	0.268	C	S	.	.			trans	-146.3	42.8	179.5	-62.8	-67.8	-178.8	-87.4	-12.8	109.6	N93 D94 G96 S101 R102 W103 R609	N93-R99 PolarHBondContact O-N 3.32Å; D94-R99 PolarHBondContact O-NH1 3.5Å; D94-R99 VanDerWaalsContact OD1-CA 3.27Å; D94-R99 WeakPolarHBondContact OD1-CA 3.4Å; G96-R99 VanDerWaalsContact O-CZ 3.28Å; G96-R99 PolarHBondContact O-NH1 3.41Å; G96-R99 PolarHBondContact O-NH2 2.81Å; R99-S101 PolarHBondContact O-N 2.86Å; R99-R102 HydrophobicContact CB-CB 4.42Å; R99-R102 WeakPolarHBondContact O-CB 3.34Å; R99-R102 PolarHBondContact O-N 3.29Å; R99-W103 HydrophobicContact CB-CH2 4.31Å; R99-W103 WeakPolarHBondContact O-CZ3 3.38Å; R99-R609 PolarHBondContact NH2-O 3.31Å
100	E	86	Confident	79.5	Confident	10 Å²	10	50.6 Å²	50.6	5%	0.047	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-58	-32.2	-171.3	-71.2	165.6	-160.3	0	0	112.6	L92 N93 D94 H98 R102 W103 F104	L92-E100 HydrophobicContact CB-CB 3.96Å; L92-E100 HydrophobicContact CD2-CB 3.84Å; L92-E100 HydrophobicContact CG-CB 4.44Å; N93-E100 WeakPolarHBondContact CB-OE2 3.36Å; N93-E100 PolarHBondContact N-OE2 3.34Å; N93-E100 PolarHBondContact O-N 3.15Å; N93-E100 VanDerWaalsContact O-N 3.08Å; D94-E100 PolarHBondContact OD1-N 3.18Å; H98-E100 IonicContact ND1-OE1 2.79Å; E100-R102 PolarHBondContact O-N 3.38Å; E100-W103 PolarHBondContact O-N 2.7Å; E100-W103 VanDerWaalsContact O-N 3.07Å; E100-F104 HydrophobicContact CB-CD2 4.26Å; E100-F104 PolarHBondContact O-N 2.88Å
101	S	87.7	Confident	79.9	Confident	74 Å²	74	55 Å²	55	52%	0.517	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-65.8	-7.8	175.4	83.9	0	0	0	0	114.5	D94 R99	D94-S101 WeakPolarHBondContact OD1-CB 3.47Å; D94-S101 PolarHBondContact OD1-N 2.99Å; D94-S101 PolarHBondContact OD1-OG 3.34Å; D94-S101 WeakPolarHBondContact OD2-CB 3.33Å; D94-S101 PolarHBondContact OD2-OG 3.36Å; R99-S101 PolarHBondContact O-N 2.86Å
102	R	92	Very high	80.1	Confident	133 Å²	133	56.6 Å²	56.6	50%	0.502	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-69.7	-36.6	171.9	-176.1	173	172.3	76.6	1.3	111.2	D51 F54 R99 E100	D51-R102 VanDerWaalsContact CG-NH2 3.33Å; D51-R102 IonicContact OD1-CZ 3.38Å; D51-R102 IonicContact OD1-NE 3.97Å; D51-R102 PolarHBondContact OD1-NE 2.92Å; D51-R102 IonicContact OD1-NH2 2.84Å; D51-R102 PolarHBondContact OD1-NH2 3.26Å; D51-R102 VanDerWaalsContact OD1-NH2 3.14Å; D51-R102 IonicContact OD2-CZ 3.9Å; D51-R102 IonicContact OD2-NE 3.8Å; D51-R102 IonicContact OD2-NH2 3.59Å; D51-R102 PolarHBondContact OD2-NH2 3.23Å; F54-R102 WeakPolarHBondContact CE1-O 3.45Å; F54-R102 HydrophobicContact CE2-CG 4.38Å; F54-R102 HydrophobicContact CZ-CG 4.08Å; F54-R102 WeakPolarHBondContact CZ-O 3.19Å; R99-R102 HydrophobicContact CB-CB 4.42Å; R99-R102 WeakPolarHBondContact O-CB 3.34Å; R99-R102 PolarHBondContact O-N 3.29Å; E100-R102 PolarHBondContact O-N 3.38Å
103	W	88.6	Confident	79.8	Confident	33 Å²	33	59.9 Å²	59.9	13%	0.125	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-28.9	-170.3	-45.2	-71	0	0	0	113.4	Q50 D51 F53 F54 R99 E100	Q50-W103 VanDerWaalsContact C-CE2 3.49Å; Q50-W103 VanDerWaalsContact CA-CZ2 3.47Å; Q50-W103 HydrophobicContact CB-CZ2 4.06Å; Q50-W103 PolarHBondContact O-NE1 2.99Å; D51-W103 PolarHBondContact OD1-NE1 3.32Å; F53-W103 HydrophobicContact CB-CB 3.58Å; F53-W103 HydrophobicContact CB-CD2 4.48Å; F53-W103 HydrophobicContact CB-CG 3.74Å; F53-W103 HydrophobicContact CD2-CB 4.16Å; F53-W103 AromaticContact CD2-CD2 3.74Å; F53-W103 HydrophobicContact CD2-CD2 3.74Å; F53-W103 AromaticContact CD2-CE3 3.81Å; F53-W103 HydrophobicContact CD2-CE3 3.81Å; F53-W103 AromaticContact CD2-CG 3.89Å; F53-W103 HydrophobicContact CD2-CG 3.89Å; F53-W103 HydrophobicContact CD2-CZ3 4.49Å; F53-W103 HydrophobicContact CE2-CE3 4.24Å; F53-W103 HydrophobicContact CG-CB 4.2Å; F53-W103 HydrophobicContact CG-CG 4.27Å; F54-W103 AromaticContact CD2-CD1 3.9Å; F54-W103 AromaticContact CE2-CD1 3.45Å; F54-W103 VanDerWaalsContact CE2-CD1 3.45Å; F54-W103 AromaticContact CE2-NE1 3.79Å; F54-W103 AromaticContact CZ-CD1 3.54Å; F54-W103 HydrophobicContact CZ-CG 4.49Å; R99-W103 HydrophobicContact CB-CH2 4.31Å; R99-W103 WeakPolarHBondContact O-CZ3 3.38Å; E100-W103 PolarHBondContact O-N 2.7Å; E100-W103 VanDerWaalsContact O-N 3.07Å
104	F	85.3	Confident	79.7	Confident	24 Å²	24	63.4 Å²	63.4	11%	0.105	34%	0.342	C	S	.	.			trans	-112.8	154.3	-175.7	-53.4	-69.2	0	0	0	111.5	L42 F53 L85 Y89 L92 E100	L42-F104 HydrophobicContact CD1-CE2 4.39Å; L42-F104 HydrophobicContact CD1-CZ 4.12Å; F53-F104 HydrophobicContact CB-CZ 4.5Å; F53-F104 HydrophobicContact CD1-CE1 4.18Å; F53-F104 AromaticContact CD1-CZ 3.63Å; F53-F104 HydrophobicContact CD1-CZ 3.63Å; F53-F104 HydrophobicContact CD2-CE2 4.14Å; F53-F104 AromaticContact CD2-CZ 3.94Å; F53-F104 HydrophobicContact CD2-CZ 3.94Å; F53-F104 AromaticContact CE1-CZ 3.72Å; F53-F104 HydrophobicContact CE1-CZ 3.72Å; F53-F104 HydrophobicContact CE2-CE2 4.16Å; F53-F104 HydrophobicContact CE2-CZ 4.03Å; F53-F104 HydrophobicContact CG-CE1 4.43Å; F53-F104 HydrophobicContact CG-CE2 4.39Å; F53-F104 AromaticContact CG-CZ 3.78Å; F53-F104 HydrophobicContact CG-CZ 3.78Å; F53-F104 HydrophobicContact CZ-CE2 4.4Å; F53-F104 AromaticContact CZ-CZ 3.94Å; F53-F104 HydrophobicContact CZ-CZ 3.94Å; L85-F104 HydrophobicContact CD2-CE1 4.42Å; Y89-F104 HydrophobicContact CD2-CB 4.35Å; Y89-F104 HydrophobicContact CE2-CB 4.45Å; Y89-F104 HydrophobicContact CE2-CD2 4.18Å; Y89-F104 HydrophobicContact CE2-CG 4.17Å; L92-F104 HydrophobicContact CD1-CB 4.36Å; L92-F104 WeakPolarHBondContact CD1-O 3.44Å; L92-F104 HydrophobicContact CD2-CB 3.76Å; E100-F104 HydrophobicContact CB-CD2 4.26Å; E100-F104 PolarHBondContact O-N 2.88Å
105	A	81	Confident	79.5	Confident	89 Å²	89	64.3 Å²	64.3	74%	0.736	35%	0.347	S	S	*	.			trans	-105.5	133.7	171.1	0	0	0	0	0	109.3
106	A	76.9	Confident	79.3	Confident	47 Å²	47	65 Å²	65	39%	0.388	34%	0.343	S	S	.	.			trans	-69.7	136.8	176.8	0	0	0	0	0	110	Y89 L92 N108	Y89-A106 CarbonylContact O-C 3.32Å; Y89-A106 WeakPolarHBondContact O-CA 3.32Å; Y89-A106 VanDerWaalsContact O-CB 3.32Å; Y89-A106 WeakPolarHBondContact O-CB 3.47Å; L92-A106 HydrophobicContact CD1-CB 4Å; L92-A106 HydrophobicContact CG-CB 4.03Å; A106-N108 PolarHBondContact O-N 3.04Å
107	W	71.7	Confident	79.4	Confident	41 Å²	41	70.6 Å²	70.6	16%	0.155	36%	0.357	C	S	.	.			trans	-74.7	119.1	172.4	-175.1	-82.8	0	0	0	110.8	D88 Y89 R109 E114 S135	D88-W107 HydrophobicContact CB-CB 4.37Å; D88-W107 WeakPolarHBondContact OD1-CB 3.12Å; Y89-W107 PolarHBondContact O-N 2.99Å; W107-R109 HydrophobicContact CZ2-CB 4.2Å; W107-R109 PolarHBondContact NE1-O 3.48Å; W107-E114 HydrophobicContact CH2-CB 4.35Å; W107-E114 HydrophobicContact CH2-CG 3.88Å; W107-E114 VanDerWaalsContact CH2-OE2 3.25Å; W107-E114 WeakPolarHBondContact CH2-OE2 3.22Å; W107-E114 HydrophobicContact CZ2-CG 4.31Å; W107-S135 VanDerWaalsContact CD1-OG 3.27Å; W107-S135 PolarHBondContact NE1-OG 3.35Å
108	N	73.3	Confident	79.1	Confident	133 Å²	133	71.3 Å²	71.3	71%	0.711	36%	0.361	S	S	*	.			trans	-104.7	7.5	-171.3	65.6	-11.9	0	0	0	115	A106 P110	A106-N108 PolarHBondContact O-N 3.04Å; N108-P110 VanDerWaalsContact C-CD 3.44Å; N108-P110 VanDerWaalsContact O-CD 3.28Å; N108-P110 WeakPolarHBondContact O-CD 3.48Å
109	R	73.2	Confident	79	Confident	75 Å²	75	71.6 Å²	71.6	28%	0.283	37%	0.365	S	S	.	.			trans	-118.8	65.1	-177.5	-65.2	176.5	-64.6	170.7	-3.9	112.1	W107 E112 E114 S135	W107-R109 HydrophobicContact CZ2-CB 4.2Å; W107-R109 PolarHBondContact NE1-O 3.48Å; R109-E112 HydrophobicContact CB-CB 4.02Å; R109-E112 HydrophobicContact CB-CG 4.11Å; R109-E112 WeakPolarHBondContact CD-OE2 3.46Å; R109-E112 WeakPolarHBondContact O-CB 3.22Å; R109-E112 PolarHBondContact O-N 3.15Å; R109-E114 VanDerWaalsContact CZ-CD 3.49Å; R109-E114 IonicContact CZ-OE1 3.47Å; R109-E114 IonicContact CZ-OE2 2.86Å; R109-E114 IonicContact NH1-OE1 3.23Å; R109-E114 PolarHBondContact NH1-OE1 2.7Å; R109-E114 IonicContact NH2-OE1 3.36Å; R109-E114 PolarHBondContact NH2-OE1 3.15Å; R109-E114 IonicContact NH2-OE2 3.74Å; R109-E114 PolarHBondContact NH2-OE2 2.92Å; R109-S135 PolarHBondContact O-OG 2.85Å
110	P	65.4	Low	79.1	Confident	71 Å²	71	73.3 Å²	73.3	46%	0.461	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	141.9	-176.9	27.4	-35.5	0	0	0	110.5	N108 E112 S135	N108-P110 VanDerWaalsContact C-CD 3.44Å; N108-P110 VanDerWaalsContact O-CD 3.28Å; N108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-E112 PolarHBondContact O-N 2.92Å; P110-S135 VanDerWaalsContact CA-OG 3.31Å; P110-S135 WeakPolarHBondContact CA-OG 3.45Å
111	F	64.6	Low	79.2	Confident	116 Å²	116	75.5 Å²	75.5	51%	0.509	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	1.6	-179.1	-42.7	-82.3	0	0	0	115.8	S135 F137 N173	F111-S135 PolarHBondContact N-OG 3.47Å; F111-F137 AromaticContact CD1-CD2 3.62Å; F111-F137 HydrophobicContact CD1-CD2 3.62Å; F111-F137 AromaticContact CD1-CE2 3.78Å; F111-F137 HydrophobicContact CD1-CE2 3.78Å; F111-F137 HydrophobicContact CD1-CG 4.27Å; F111-F137 HydrophobicContact CD1-CZ 4.46Å; F111-F137 AromaticContact CE1-CD2 3.61Å; F111-F137 HydrophobicContact CE1-CD2 3.61Å; F111-F137 AromaticContact CE1-CE2 3.28Å; F111-F137 HydrophobicContact CE1-CE2 3.28Å; F111-F137 AromaticContact CE1-CZ 3.97Å; F111-F137 HydrophobicContact CE1-CZ 3.97Å; F111-F137 HydrophobicContact CZ-CE2 4.33Å; F111-N173 HydrophobicContact CZ-CB 4.31Å
112	E	70.3	Confident	79.1	Confident	99 Å²	99	72.5 Å²	72.5	46%	0.463	37%	0.373	S	S	.	.			trans	-88.2	149.1	170	-64.9	-175.9	-149.2	0	0	111.5	R109 P110	R109-E112 HydrophobicContact CB-CB 4.02Å; R109-E112 HydrophobicContact CB-CG 4.11Å; R109-E112 WeakPolarHBondContact CD-OE2 3.46Å; R109-E112 WeakPolarHBondContact O-CB 3.22Å; R109-E112 PolarHBondContact O-N 3.15Å; P110-E112 PolarHBondContact O-N 2.92Å
113	V	69.7	Low	78.8	Confident	87 Å²	87	70.7 Å²	70.7	53%	0.527	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.4	-179.8	-179	0	0	0	0	108.8	T132 V134	V113-T132 HydrophobicContact CG1-CG2 3.11Å; V113-V134 HydrophobicContact CB-CG1 3.93Å; V113-V134 HydrophobicContact CG1-CG1 3.97Å; V113-V134 HydrophobicContact CG2-CG1 3.31Å
114	E	73.5	Confident	78.8	Confident	75 Å²	75	75.5 Å²	75.5	35%	0.35	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.4	173.5	-68.9	-156.6	140.8	0	0	112.8	W107 R109 Y116 V133	W107-E114 HydrophobicContact CH2-CB 4.35Å; W107-E114 HydrophobicContact CH2-CG 3.88Å; W107-E114 VanDerWaalsContact CH2-OE2 3.25Å; W107-E114 WeakPolarHBondContact CH2-OE2 3.22Å; W107-E114 HydrophobicContact CZ2-CG 4.31Å; R109-E114 VanDerWaalsContact CZ-CD 3.49Å; R109-E114 IonicContact CZ-OE1 3.47Å; R109-E114 IonicContact CZ-OE2 2.86Å; R109-E114 IonicContact NH1-OE1 3.23Å; R109-E114 PolarHBondContact NH1-OE1 2.7Å; R109-E114 IonicContact NH2-OE1 3.36Å; R109-E114 PolarHBondContact NH2-OE1 3.15Å; R109-E114 IonicContact NH2-OE2 3.74Å; R109-E114 PolarHBondContact NH2-OE2 2.92Å; E114-Y116 PolarHBondContact O-N 2.95Å; E114-V133 PolarHBondContact N-O 3.37Å; E114-V133 PolarHBondContact O-N 3.01Å
115	D	80.5	Confident	78.9	Confident	88 Å²	88	76.1 Å²	76.1	47%	0.471	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.9	168.7	-88.4	-1.6	0	0	0	109.3	R130	D115-R130 WeakPolarHBondContact OD2-CD 3.39Å; D115-R130 IonicContact OD2-CZ 3.21Å; D115-R130 IonicContact OD2-NE 3.69Å; D115-R130 IonicContact OD2-NH1 2.72Å; D115-R130 PolarHBondContact OD2-NH1 2.97Å
116	Y	78.2	Confident	79	Confident	59 Å²	59	74.2 Å²	74.2	23%	0.231	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.4	172.7	178.1	-100.6	0	0	0	110.8	F86 E114 V118 R130 A131 V133	F86-Y116 HydrophobicContact CD1-CE2 4.33Å; F86-Y116 HydrophobicContact CD2-CE2 4.16Å; F86-Y116 HydrophobicContact CE1-CD2 4.48Å; F86-Y116 AromaticContact CE1-CE2 3.74Å; F86-Y116 HydrophobicContact CE1-CE2 3.74Å; F86-Y116 HydrophobicContact CE2-CE1 4.2Å; F86-Y116 AromaticContact CE2-CE2 3.58Å; F86-Y116 HydrophobicContact CE2-CE2 3.58Å; F86-Y116 AromaticContact CE2-CZ 3.34Å; F86-Y116 WeakPolarHBondContact CE2-OH 2.84Å; F86-Y116 HydrophobicContact CZ-CD2 4.42Å; F86-Y116 AromaticContact CZ-CE2 3.34Å; F86-Y116 HydrophobicContact CZ-CE2 3.34Å; F86-Y116 AromaticContact CZ-CZ 3.55Å; F86-Y116 VanDerWaalsContact CZ-OH 3.24Å; F86-Y116 WeakPolarHBondContact CZ-OH 3.35Å; E114-Y116 PolarHBondContact O-N 2.95Å; Y116-V118 PolarHBondContact O-N 2.87Å; Y116-R130 CarbonylContact O-C 3.6Å; Y116-R130 VanDerWaalsContact O-CA 3.23Å; Y116-R130 WeakPolarHBondContact O-CA 3.49Å; Y116-A131 WeakPolarHBondContact CA-O 3.3Å; Y116-A131 WeakPolarHBondContact CB-O 3.39Å; Y116-A131 PolarHBondContact N-O 3.15Å; Y116-A131 PolarHBondContact O-N 3.39Å; Y116-V133 HydrophobicContact CD1-CG2 4.42Å; Y116-V133 HydrophobicContact CD2-CG2 4.43Å; Y116-V133 HydrophobicContact CG-CG2 3.83Å
117	Y	85.6	Confident	79.5	Confident	144 Å²	144	75.1 Å²	75.1	57%	0.565	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.7	175.2	-71.4	-88.7	0	0	0	110.2	R130	Y117-R130 HydrophobicContact CD1-CG 4.06Å; Y117-R130 HydrophobicContact CE1-CG 4.11Å; Y117-R130 PolarHBondContact OH-NE 2.77Å; Y117-R130 PolarHBondContact OH-NH2 3.42Å
118	V	82.5	Confident	80	Confident	19 Å²	19	78.3 Å²	78.3	12%	0.115	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-72.6	132	-176.5	178.6	0	0	0	0	109.5	Y116 L122 V129 A131	Y116-V118 PolarHBondContact O-N 2.87Å; V118-L122 HydrophobicContact CG1-CB 3.21Å; V118-L122 HydrophobicContact CG1-CD1 3.99Å; V118-L122 HydrophobicContact CG1-CG 4.27Å; V118-V129 PolarHBondContact N-O 3.11Å; V118-A131 HydrophobicContact CG2-CB 3.6Å
119	P	85.4	Confident	80.6	Confident	26 Å²	26	75.8 Å²	75.8	17%	0.169	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-54.1	148.6	175.4	-28.3	34.5	0	0	0	112.6	L63 I121 L122 K123	L63-P119 HydrophobicContact CD1-CB 4.24Å; L63-P119 HydrophobicContact CD1-CG 3.97Å; P119-I121 HydrophobicContact CB-CG2 4.33Å; P119-I121 PolarHBondContact O-N 3.47Å; P119-I121 VanDerWaalsContact O-N 3.1Å; P119-L122 PolarHBondContact O-N 2.88Å; P119-K123 PolarHBondContact O-N 2.78Å
120	P	90.2	Very high	81	Confident	96 Å²	96	77.8 Å²	77.8	62%	0.623	41%	0.41	S	S	*	.	H	α-helix	trans	-49.5	-41.8	-177.5	-29.8	35.6	0	0	0	114.2	L122 K123 D124	P120-L122 VanDerWaalsContact C-N 3.26Å; P120-L122 PolarHBondContact O-N 3.05Å; P120-K123 WeakPolarHBondContact O-CB 3.49Å; P120-K123 PolarHBondContact O-N 2.84Å; P120-K123 VanDerWaalsContact O-N 3.13Å; P120-D124 VanDerWaalsContact O-CG 3.24Å; P120-D124 PolarHBondContact O-N 3.38Å
121	I	88.1	Confident	81.3	Confident	57 Å²	57	75.9 Å²	75.9	29%	0.292	40%	0.399	S	S	.	.	H	α-helix	trans	-58.4	-35.3	-179.7	-158.2	-173.6	0	0	0	113.4	L63 E64 V67 P119	L63-I121 HydrophobicContact CB-CG2 4.15Å; E64-I121 HydrophobicContact CG-CD1 3.7Å; V67-I121 HydrophobicContact CG2-CD1 4.32Å; V67-I121 HydrophobicContact CG2-CG1 4.08Å; V67-I121 HydrophobicContact CG2-CG2 4.45Å; P119-I121 HydrophobicContact CB-CG2 4.33Å; P119-I121 PolarHBondContact O-N 3.47Å; P119-I121 VanDerWaalsContact O-N 3.1Å
122	L	84.5	Confident	81.5	Confident	11 Å²	11	74.5 Å²	74.5	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-84.9	-36.5	176.7	-79.8	177.1	0	0	0	111.4	L63 L66 V67 I70 L84 V118 P119 P120 D124 V125 T126	L63-L122 HydrophobicContact CD2-CD1 3.54Å; L63-L122 HydrophobicContact CD2-CG 4.18Å; L66-L122 HydrophobicContact CD2-CD1 4.15Å; L66-L122 HydrophobicContact CD2-CD2 3.89Å; L66-L122 HydrophobicContact CG-CD2 3.97Å; V67-L122 HydrophobicContact CG2-CD2 3.67Å; V67-L122 HydrophobicContact CG2-CG 4.3Å; I70-L122 HydrophobicContact CD1-CD2 3.94Å; L84-L122 HydrophobicContact CD2-CD1 4.45Å; V118-L122 HydrophobicContact CG1-CB 3.21Å; V118-L122 HydrophobicContact CG1-CD1 3.99Å; V118-L122 HydrophobicContact CG1-CG 4.27Å; P119-L122 PolarHBondContact O-N 2.88Å; P120-L122 VanDerWaalsContact C-N 3.26Å; P120-L122 PolarHBondContact O-N 3.05Å; L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3.26Å; L122-V125 PolarHBondContact O-N 2.69Å; L122-T126 WeakPolarHBondContact O-CB 3.33Å; L122-T126 WeakPolarHBondContact O-CG2 3.37Å; L122-T126 PolarHBondContact O-N 3.42Å; L122-T126 PolarHBondContact O-OG1 3.01Å
123	K	87.2	Confident	81.1	Confident	94 Å²	94	71.1 Å²	71.1	41%	0.409	39%	0.387	S	S	.	.	H	α-helix	trans	-58.2	-42.1	176.4	176.2	-179.6	171.8	-175.9	0	111.5	P119 P120 V125 G127 Q128	P119-K123 PolarHBondContact O-N 2.78Å; P120-K123 WeakPolarHBondContact O-CB 3.49Å; P120-K123 PolarHBondContact O-N 2.84Å; P120-K123 VanDerWaalsContact O-N 3.13Å; K123-V125 PolarHBondContact O-N 2.68Å; K123-G127 VanDerWaalsContact O-CA 3.31Å; K123-G127 WeakPolarHBondContact O-CA 3.41Å; K123-G127 PolarHBondContact O-N 2.88Å; K123-Q128 WeakPolarHBondContact CG-O 3.29Å
124	D	88.6	Confident	80.2	Confident	134 Å²	134	68.2 Å²	68.2	72%	0.717	37%	0.369	S	S	*	.	H	α-helix	trans	-64.4	-26.2	-178.6	-67.8	-15.6	0	0	0	112.8	P120 L122	P120-D124 VanDerWaalsContact O-CG 3.24Å; P120-D124 PolarHBondContact O-N 3.38Å; L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3.26Å
125	V	85.9	Confident	79	Confident	37 Å²	37	64.7 Å²	64.7	22%	0.224	35%	0.353	C	S	.	.	H	α-helix	trans	-98	-33.7	-176.8	-179.2	0	0	0	0	112.3	V67 I70 K71 L122 K123	V67-V125 HydrophobicContact CG1-CG2 3.84Å; V67-V125 HydrophobicContact CG2-CG2 4.35Å; I70-V125 HydrophobicContact CB-CG1 4.37Å; I70-V125 HydrophobicContact CG2-CG1 3.58Å; K71-V125 HydrophobicContact CG-CG1 3.84Å; L122-V125 PolarHBondContact O-N 2.69Å; K123-V125 PolarHBondContact O-N 2.68Å
126	T	83.7	Confident	77.4	Confident	49 Å²	49	62 Å²	62	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-96.2	-21.9	-175.9	61.6	0	0	0	0	113.2	I70 L122 Q128	I70-T126 HydrophobicContact CD1-CG2 4.2Å; L122-T126 WeakPolarHBondContact O-CB 3.33Å; L122-T126 WeakPolarHBondContact O-CG2 3.37Å; L122-T126 PolarHBondContact O-N 3.42Å; L122-T126 PolarHBondContact O-OG1 3.01Å; T126-Q128 PolarHBondContact O-N 3.42Å; T126-Q128 PolarHBondContact OG1-N 2.93Å
127	G	87.1	Confident	75.6	Confident	66 Å²	66	60.4 Å²	60.4	68%	0.68	33%	0.331	S	S	*	.			trans	70.3	2.4	-169.2	0	0	0	0	0	114.1	K123	K123-G127 VanDerWaalsContact O-CA 3.31Å; K123-G127 WeakPolarHBondContact O-CA 3.41Å; K123-G127 PolarHBondContact O-N 2.88Å
128	Q	83.5	Confident	73.3	Confident	109 Å²	109	60.4 Å²	60.4	51%	0.509	33%	0.331	S	S	.	.			trans	-90.5	127.7	-176.8	-62.8	-179.6	-52.3	0	0	110.6	K123 T126	K123-Q128 WeakPolarHBondContact CG-O 3.29Å; T126-Q128 PolarHBondContact O-N 3.42Å; T126-Q128 PolarHBondContact OG1-N 2.93Å
129	V	84.7	Confident	71.1	Confident	80 Å²	80	61.3 Å²	61.3	49%	0.485	34%	0.338	S	S	.	.	S	Bend	trans	-82.3	-34.1	174.1	-177.6	0	0	0	0	111	V118	V118-V129 PolarHBondContact N-O 3.11Å
130	R	82	Confident	68.7	Low	117 Å²	117	61.5 Å²	61.5	44%	0.442	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.4	-179.5	-64.8	178.1	178.5	172.1	7.6	109.3	D115 Y116 Y117	D115-R130 WeakPolarHBondContact OD2-CD 3.39Å; D115-R130 IonicContact OD2-CZ 3.21Å; D115-R130 IonicContact OD2-NE 3.69Å; D115-R130 IonicContact OD2-NH1 2.72Å; D115-R130 PolarHBondContact OD2-NH1 2.97Å; Y116-R130 CarbonylContact O-C 3.6Å; Y116-R130 VanDerWaalsContact O-CA 3.23Å; Y116-R130 WeakPolarHBondContact O-CA 3.49Å; Y117-R130 HydrophobicContact CD1-CG 4.06Å; Y117-R130 HydrophobicContact CE1-CG 4.11Å; Y117-R130 PolarHBondContact OH-NE 2.77Å; Y117-R130 PolarHBondContact OH-NH2 3.42Å
131	A	72.6	Confident	65.8	Low	30 Å²	30	61.1 Å²	61.1	25%	0.248	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.8	166	0	0	0	0	0	107.6	Y116 V118 V133	Y116-A131 WeakPolarHBondContact CA-O 3.3Å; Y116-A131 WeakPolarHBondContact CB-O 3.39Å; Y116-A131 PolarHBondContact N-O 3.15Å; Y116-A131 PolarHBondContact O-N 3.39Å; V118-A131 HydrophobicContact CG2-CB 3.6Å; A131-V133 PolarHBondContact O-N 3.45Å
132	T	67.2	Low	63.2	Low	88 Å²	88	62.5 Å²	62.5	54%	0.54	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.5	173.5	-52.4	0	0	0	0	107.8	V113 V134	V113-T132 HydrophobicContact CG1-CG2 3.11Å; T132-V134 HydrophobicContact CG2-CG2 4.04Å
133	V	62.4	Low	60.6	Low	28 Å²	28	70.9 Å²	70.9	17%	0.17	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.9	167.5	171.8	0	0	0	0	107.2	E114 Y116 A131	E114-V133 PolarHBondContact N-O 3.37Å; E114-V133 PolarHBondContact O-N 3.01Å; Y116-V133 HydrophobicContact CD1-CG2 4.42Å; Y116-V133 HydrophobicContact CD2-CG2 4.43Å; Y116-V133 HydrophobicContact CG-CG2 3.83Å; A131-V133 PolarHBondContact O-N 3.45Å
134	V	51.9	Low	57.9	Low	26 Å²	26	68 Å²	68	16%	0.158	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	118.8	-168.8	-126.2	0	0	0	0	108.6	D88 V113 T132 F136 F137 Y138	D88-V134 VanDerWaalsContact OD2-O 3.06Å; V113-V134 HydrophobicContact CB-CG1 3.93Å; V113-V134 HydrophobicContact CG1-CG1 3.97Å; V113-V134 HydrophobicContact CG2-CG1 3.31Å; T132-V134 HydrophobicContact CG2-CG2 4.04Å; V134-F136 PolarHBondContact O-N 3.08Å; V134-F137 WeakPolarHBondContact CB-O 3.31Å; V134-F137 WeakPolarHBondContact CG1-O 3.41Å; V134-Y138 VanDerWaalsContact CG2-O 3.28Å; V134-Y138 WeakPolarHBondContact CG2-O 3.29Å
135	S	48.1	Very low	55	Low	0 Å²	0	67 Å²	67	0%	0	36%	0.36	C	S	.	.	S	Bend	trans	-77.8	127.5	176.5	75.4	0	0	0	0	111.2	D88 W107 R109 P110 F111 F137	D88-S135 WeakPolarHBondContact OD2-CA 3.36Å; D88-S135 PolarHBondContact OD2-N 3.05Å; W107-S135 VanDerWaalsContact CD1-OG 3.27Å; W107-S135 PolarHBondContact NE1-OG 3.35Å; R109-S135 PolarHBondContact O-OG 2.85Å; P110-S135 VanDerWaalsContact CA-OG 3.31Å; P110-S135 WeakPolarHBondContact CA-OG 3.45Å; F111-S135 PolarHBondContact N-OG 3.47Å; S135-F137 PolarHBondContact O-N 3.26Å
136	F	45.6	Very low	52.2	Low	31 Å²	31	71.9 Å²	71.9	14%	0.136	39%	0.392	C	S	.	.	S	Bend	trans	58	-2.9	175.9	-75.1	-87	0	0	0	117.5	G90 V134 F159 P170 L174	G90-F136 VanDerWaalsContact CA-CZ 3.42Å; G90-F136 VanDerWaalsContact N-CZ 3.28Å; V134-F136 PolarHBondContact O-N 3.08Å; F136-F159 HydrophobicContact CD1-CB 4.32Å; F136-P170 HydrophobicContact CD1-CB 3.78Å; F136-P170 HydrophobicContact CD1-CG 4.11Å; F136-P170 HydrophobicContact CE1-CB 3.93Å; F136-P170 HydrophobicContact CE1-CG 3.84Å; F136-L174 WeakPolarHBondContact O-CD2 3.4Å
137	F	40.1	Very low	49.6	Very low	26 Å²	26	71.8 Å²	71.8	11%	0.114	40%	0.401	C	S	.	.	S	Bend	trans	-157	128.2	-170.1	-99	-91.1	0	0	0	112	F111 V134 S135 L174 E177	F111-F137 AromaticContact CD1-CD2 3.62Å; F111-F137 HydrophobicContact CD1-CD2 3.62Å; F111-F137 AromaticContact CD1-CE2 3.78Å; F111-F137 HydrophobicContact CD1-CE2 3.78Å; F111-F137 HydrophobicContact CD1-CG 4.27Å; F111-F137 HydrophobicContact CD1-CZ 4.46Å; F111-F137 AromaticContact CE1-CD2 3.61Å; F111-F137 HydrophobicContact CE1-CD2 3.61Å; F111-F137 AromaticContact CE1-CE2 3.28Å; F111-F137 HydrophobicContact CE1-CE2 3.28Å; F111-F137 AromaticContact CE1-CZ 3.97Å; F111-F137 HydrophobicContact CE1-CZ 3.97Å; F111-F137 HydrophobicContact CZ-CE2 4.33Å; V134-F137 WeakPolarHBondContact CB-O 3.31Å; V134-F137 WeakPolarHBondContact CG1-O 3.41Å; S135-F137 PolarHBondContact O-N 3.26Å; F137-L174 HydrophobicContact CD1-CD2 3.83Å; F137-L174 HydrophobicContact CD2-CD2 3.64Å; F137-L174 HydrophobicContact CD2-CG 4.3Å; F137-L174 HydrophobicContact CE1-CD2 3.51Å; F137-L174 HydrophobicContact CE1-CG 4.45Å; F137-L174 HydrophobicContact CE2-CB 4.48Å; F137-L174 HydrophobicContact CE2-CD2 3.24Å; F137-L174 HydrophobicContact CE2-CG 3.57Å; F137-L174 HydrophobicContact CG-CD2 3.92Å; F137-L174 HydrophobicContact CZ-CB 4.21Å; F137-L174 HydrophobicContact CZ-CD2 3.22Å; F137-L174 HydrophobicContact CZ-CG 3.71Å; F137-E177 HydrophobicContact CE1-CB 3.62Å; F137-E177 HydrophobicContact CE1-CG 3.65Å; F137-E177 HydrophobicContact CZ-CB 3.89Å; F137-E177 HydrophobicContact CZ-CG 3.59Å
138	Y	39	Very low	46.6	Very low	144 Å²	144	77 Å²	77	57%	0.565	41%	0.413	S	S	*	.			trans	86.6	67	177.3	-67.8	-97.9	0	0	0	117.5	V134 A140 I141	V134-Y138 VanDerWaalsContact CG2-O 3.28Å; V134-Y138 WeakPolarHBondContact CG2-O 3.29Å; Y138-A140 VanDerWaalsContact C-N 3.32Å; Y138-A140 PolarHBondContact O-N 3.28Å; Y138-I141 HydrophobicContact CD1-CG1 4.21Å; Y138-I141 HydrophobicContact CE1-CD1 3.52Å; Y138-I141 HydrophobicContact CE1-CG1 3.52Å
139	C	35.9	Very low	44	Very low	39 Å²	39	76.5 Å²	76.5	26%	0.264	42%	0.417	S	S	.	.	S	Bend	trans	-91.2	80.6	136.7	-128.3	0	0	0	0	110.4	R80 F82 I158	R80-C139 PolarHBondContact NH1-O 3.49Å; R80-C139 PolarHBondContact NH1-SG 2.9Å; F82-C139 HydrophobicContact CE1-CB 4.17Å; F82-C139 WeakPolarHBondContact CE1-SG 3.43Å; F82-C139 HydrophobicContact CZ-CB 3.69Å; F82-C139 WeakPolarHBondContact CZ-SG 3.38Å; C139-I158 HydrophobicContact CB-CD1 4Å
140	A	33.5	Very low	41.1	Very low	29 Å²	29	76.9 Å²	76.9	24%	0.24	44%	0.437	C	S	.	.			trans	60.5	119.2	177.1	0	0	0	0	0	116.4	R80 Y138 W142	R80-A140 VanDerWaalsContact NH1-CB 3.34Å; Y138-A140 VanDerWaalsContact C-N 3.32Å; Y138-A140 PolarHBondContact O-N 3.28Å; A140-W142 PolarHBondContact O-N 2.99Å
141	I	30.9	Very low	38.6	Very low	88 Å²	88	78.2 Å²	78.2	45%	0.451	44%	0.443	S	S	.	.			trans	-55.2	104.3	141.8	-71.5	170.4	0	0	0	105.4	Y138 R143	Y138-I141 HydrophobicContact CD1-CG1 4.21Å; Y138-I141 HydrophobicContact CE1-CD1 3.52Å; Y138-I141 HydrophobicContact CE1-CG1 3.52Å; I141-R143 HydrophobicContact CG2-CG 3.98Å; I141-R143 PolarHBondContact O-N 3.35Å
142	W	32.7	Very low	36.8	Very low	86 Å²	86	79.4 Å²	79.4	33%	0.326	44%	0.444	S	S	.	.			trans	-75.2	85	169.7	-122.8	88.3	0	0	0	107.4	Y78 A140 C144	Y78-W142 HydrophobicContact CD1-CH2 4.39Å; Y78-W142 AromaticContact CD1-CZ2 3.54Å; Y78-W142 HydrophobicContact CD1-CZ2 3.54Å; Y78-W142 AromaticContact CD2-CH2 3.77Å; Y78-W142 HydrophobicContact CD2-CH2 3.77Å; Y78-W142 AromaticContact CD2-CZ2 3.6Å; Y78-W142 HydrophobicContact CD2-CZ2 3.6Å; Y78-W142 HydrophobicContact CE1-CH2 4.24Å; Y78-W142 AromaticContact CE1-CZ2 3.67Å; Y78-W142 HydrophobicContact CE1-CZ2 3.67Å; Y78-W142 AromaticContact CE2-CH2 3.63Å; Y78-W142 HydrophobicContact CE2-CH2 3.63Å; Y78-W142 AromaticContact CE2-CZ2 3.76Å; Y78-W142 HydrophobicContact CE2-CZ2 3.76Å; Y78-W142 HydrophobicContact CG-CH2 4.14Å; Y78-W142 AromaticContact CG-CZ2 3.48Å; Y78-W142 HydrophobicContact CG-CZ2 3.48Å; Y78-W142 VanDerWaalsContact CG-CZ2 3.48Å; Y78-W142 AromaticContact CZ-CH2 3.86Å; Y78-W142 AromaticContact CZ-CZ2 3.78Å; A140-W142 PolarHBondContact O-N 2.99Å; W142-C144 HydrophobicContact CE3-CB 4.19Å; W142-C144 HydrophobicContact CZ3-CB 4.09Å; W142-C144 WeakPolarHBondContact CZ3-SG 3.17Å; W142-C144 PolarHBondContact O-N 3.47Å
143	R	29.9	Very low	35.3	Very low	187 Å²	187	84.2 Å²	84.2	71%	0.706	45%	0.453	S	S	*	.			trans	-79.5	94.5	155.5	-87.2	-179.4	-175.7	-175.8	3.2	106.3	I141 C145	I141-R143 HydrophobicContact CG2-CG 3.98Å; I141-R143 PolarHBondContact O-N 3.35Å; R143-C145 PolarHBondContact O-N 2.86Å
144	C	31.5	Very low	34.5	Very low	35 Å²	35	83.8 Å²	83.8	24%	0.236	45%	0.454	C	S	.	.			trans	-45.3	117.1	159.9	-64.2	0	0	0	0	107.3	W142 M152	W142-C144 HydrophobicContact CE3-CB 4.19Å; W142-C144 HydrophobicContact CZ3-CB 4.09Å; W142-C144 WeakPolarHBondContact CZ3-SG 3.17Å; W142-C144 PolarHBondContact O-N 3.47Å; C144-M152 PolarHBondContact SG-O 3.48Å
145	C	27.8	Very low	34.5	Very low	112 Å²	112	84.7 Å²	84.7	76%	0.757	46%	0.459	S	S	*	.			trans	-51.2	138.7	176.2	-71.2	0	0	0	0	109.9	R143 G147	R143-C145 PolarHBondContact O-N 2.86Å; C145-G147 PolarHBondContact O-N 3.27Å
146	P	26.6	Very low	34.8	Very low	140 Å²	140	85.8 Å²	85.8	91%	0.909	47%	0.466	S	S	*	.			trans	-68.9	104.2	175	27.5	-29.6	0	0	0	108.6
147	G	28.1	Very low	35.2	Very low	47 Å²	47	84.5 Å²	84.5	49%	0.485	46%	0.462	S	S	.	.			trans	-147.7	90.4	177.2	0	0	0	0	0	110.7	C145 V149	C145-G147 PolarHBondContact O-N 3.27Å; G147-V149 VanDerWaalsContact C-N 3.27Å; G147-V149 PolarHBondContact O-N 3.3Å
148	N	25.2	Very low	35.9	Very low	175 Å²	175	85.6 Å²	85.6	94%	0.936	47%	0.468	S	S	*	.	S	Bend	trans	44.5	10.3	158.1	-70.3	-5.2	0	0	0	122.6
149	V	27.8	Very low	36.6	Very low	98 Å²	98	79 Å²	79	59%	0.594	44%	0.442	S	S	*	.	S	Bend	trans	-141.6	133.1	166.6	-162.1	0	0	0	0	108	G147 Y151	G147-V149 VanDerWaalsContact C-N 3.27Å; G147-V149 PolarHBondContact O-N 3.3Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 HydrophobicContact CB-CD2 4.26Å; V149-Y151 HydrophobicContact CB-CE2 3.6Å; V149-Y151 HydrophobicContact CG1-CE2 4.44Å; V149-Y151 HydrophobicContact CG2-CE2 4.27Å; V149-Y151 WeakPolarHBondContact O-CD2 3.42Å; V149-Y151 PolarHBondContact O-N 2.97Å
150	G	24.5	Very low	37.3	Very low	88 Å²	88	79.2 Å²	79.2	91%	0.907	44%	0.439	S	S	*	.			trans	-65.3	75.4	-170.4	0	0	0	0	0	115.1
151	Y	29.2	Very low	38.1	Very low	145 Å²	145	78.4 Å²	78.4	57%	0.569	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-79.7	141.9	177.6	-65.2	-69.9	0	0	0	112	V149	V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 HydrophobicContact CB-CD2 4.26Å; V149-Y151 HydrophobicContact CB-CE2 3.6Å; V149-Y151 HydrophobicContact CG1-CE2 4.44Å; V149-Y151 HydrophobicContact CG2-CE2 4.27Å; V149-Y151 WeakPolarHBondContact O-CD2 3.42Å; V149-Y151 PolarHBondContact O-N 2.97Å
152	M	33.9	Very low	39	Very low	55 Å²	55	74.4 Å²	74.4	27%	0.271	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.9	134.5	175.1	-67.9	-167.7	-66.4	0	0	110.5	M1 C144 K262 F265	M1-M152 HydrophobicContact CB-CE 3.37Å; C144-M152 PolarHBondContact SG-O 3.48Å; M152-K262 HydrophobicContact SD-CB 4.14Å; M152-K262 HydrophobicContact SD-CG 4.33Å; M152-F265 HydrophobicContact SD-CE2 4.25Å; M152-F265 HydrophobicContact SD-CZ 4.49Å
153	R	36.3	Very low	39.6	Very low	190 Å²	190	71.5 Å²	71.5	72%	0.717	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-81.7	127.2	157.1	-84.3	-178.9	174.5	176.1	-0.6	106.1
154	G	45.9	Very low	40.4	Very low	18 Å²	18	65 Å²	65	19%	0.186	38%	0.383	C	S	.	.			trans	-149.7	144.5	165.5	0	0	0	0	0	111.2	E180	G154-E180 WeakPolarHBondContact CA-OE2 3.49Å
155	T	52.6	Low	41	Very low	45 Å²	45	66.3 Å²	66.3	28%	0.276	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-98.1	118	-179.1	-42.8	0	0	0	0	108.6	I179 E180 I181	T155-I179 HydrophobicContact CG2-CD1 3.53Å; T155-E180 PolarHBondContact O-N 3.37Å; T155-I181 PolarHBondContact O-N 3.04Å
156	V	54.6	Low	42	Very low	24 Å²	24	69 Å²	69	15%	0.145	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.4	178.7	-174.4	0	0	0	0	108.8	I158 I181	V156-I158 HydrophobicContact CG1-CD1 4.47Å; V156-I158 HydrophobicContact CG1-CG1 3.98Å; V156-I181 HydrophobicContact CB-CB 4.46Å; V156-I181 HydrophobicContact CG1-CB 4.23Å; V156-I181 HydrophobicContact CG1-CG2 4.24Å; V156-I181 HydrophobicContact CG2-CB 4.2Å; V156-I181 HydrophobicContact CG2-CD1 4.16Å
157	G	52.7	Low	43.3	Very low	4 Å²	4	64.3 Å²	64.3	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.1	167	0	0	0	0	0	109.1	I179 I181 F182 C183	G157-I179 VanDerWaalsContact N-CG2 3.32Å; G157-I181 CarbonylContact C-O 3.41Å; G157-I181 WeakPolarHBondContact CA-O 3.41Å; G157-I181 PolarHBondContact N-O 3.29Å; G157-F182 WeakPolarHBondContact O-CA 3.5Å; G157-C183 PolarHBondContact O-N 3.5Å
158	I	55.5	Low	44.5	Very low	48 Å²	48	67.7 Å²	67.7	25%	0.246	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.2	176.4	-56.2	179.1	0	0	0	105.4	F82 C139 V156 C183	F82-I158 HydrophobicContact CD2-CD1 4.33Å; F82-I158 HydrophobicContact CE2-CD1 3.29Å; F82-I158 HydrophobicContact CZ-CD1 3.41Å; F82-I158 VanDerWaalsContact CZ-CD1 3.41Å; C139-I158 HydrophobicContact CB-CD1 4Å; V156-I158 HydrophobicContact CG1-CD1 4.47Å; V156-I158 HydrophobicContact CG1-CG1 3.98Å; I158-C183 HydrophobicContact CG1-CB 4.14Å; I158-C183 HydrophobicContact CG2-CB 4.3Å
159	F	53.5	Low	46	Very low	7 Å²	7	64.6 Å²	64.6	3%	0.031	34%	0.337	C	S	.	.			trans	-144	133.5	178.7	60	-72.2	0	0	0	107.4	F136 V161 Y171 L174 F182 C183 N184 Y214	F136-F159 HydrophobicContact CD1-CB 4.32Å; F159-V161 HydrophobicContact CD2-CG2 3.19Å; F159-V161 HydrophobicContact CE2-CG2 3.28Å; F159-V161 HydrophobicContact CG-CG2 4.47Å; F159-Y171 HydrophobicContact CE1-CD2 4.24Å; F159-Y171 HydrophobicContact CE2-CD2 4.08Å; F159-Y171 AromaticContact CZ-CD2 3.54Å; F159-Y171 HydrophobicContact CZ-CD2 3.54Å; F159-Y171 HydrophobicContact CZ-CE2 4.01Å; F159-L174 HydrophobicContact CB-CD1 3.98Å; F159-L174 HydrophobicContact CD1-CD1 3.78Å; F159-L174 HydrophobicContact CG-CD1 3.92Å; F159-F182 HydrophobicContact CD1-CD1 4.21Å; F159-F182 HydrophobicContact CE1-CB 3.43Å; F159-F182 VanDerWaalsContact CE1-CB 3.43Å; F159-F182 AromaticContact CE1-CD1 3.52Å; F159-F182 HydrophobicContact CE1-CD1 3.52Å; F159-F182 AromaticContact CE1-CG 3.94Å; F159-F182 HydrophobicContact CE1-CG 3.94Å; F159-F182 HydrophobicContact CZ-CB 3.88Å; F159-F182 HydrophobicContact CZ-CD1 4.09Å; F159-F182 HydrophobicContact CZ-CG 4.46Å; F159-C183 PolarHBondContact N-O 3Å; F159-N184 HydrophobicContact CE2-CB 4.44Å; F159-N184 HydrophobicContact CZ-CB 4.39Å; F159-N184 WeakPolarHBondContact O-CA 3.44Å; F159-Y214 HydrophobicContact CZ-CD2 4.17Å; F159-Y214 AromaticContact CZ-CE2 3.93Å; F159-Y214 HydrophobicContact CZ-CE2 3.93Å
160	Q	51	Low	47.7	Very low	42 Å²	42	61.1 Å²	61.1	20%	0.196	32%	0.316	C	S	.	.			trans	-89.5	123.7	175.3	-165.8	156.6	-25.9	0	0	107.6	E41 E87 Y89	E41-Q160 VanDerWaalsContact CD-NE2 3.26Å; E41-Q160 PolarHBondContact OE1-NE2 3.07Å; E87-Q160 VanDerWaalsContact CD-NE2 3.3Å; E87-Q160 PolarHBondContact OE1-NE2 3.4Å; Y89-Q160 HydrophobicContact CE1-CG 4.29Å; Y89-Q160 VanDerWaalsContact CZ-NE2 3.34Å; Y89-Q160 PolarHBondContact OH-NE2 2.97Å; Y89-Q160 VanDerWaalsContact OH-NE2 3.16Å
161	V	49.3	Very low	49.9	Very low	13 Å²	13	57 Å²	57	8%	0.079	27%	0.273	C	S	.	.			trans	-114.9	99.6	173.8	-170.3	0	0	0	0	107.6	F159 Y167 N184	F159-V161 HydrophobicContact CD2-CG2 3.19Å; F159-V161 HydrophobicContact CE2-CG2 3.28Å; F159-V161 HydrophobicContact CG-CG2 4.47Å; V161-Y167 HydrophobicContact CG1-CD2 3.74Å; V161-Y167 HydrophobicContact CG1-CG 4.31Å; V161-N184 PolarHBondContact N-OD1 2.97Å
162	S	49.8	Very low	52.1	Low	3 Å²	3	50.7 Å²	50.7	2%	0.021	25%	0.252	C	S	.	.			trans	-61.2	149.9	164.5	73.8	0	0	0	0	109.3	V91 N164	V91-S162 PolarHBondContact O-OG 3.25Å; S162-N164 PolarHBondContact O-N 2.67Å
163	S	46.4	Very low	53.9	Low	26 Å²	26	50.9 Å²	50.9	18%	0.182	25%	0.254	C	S	.	.	S	Bend	trans	-53.1	-0.5	-157	75	0	0	0	0	120.7	N93 H188	N93-S163 PolarHBondContact ND2-OG 3.37Å; S163-H188 WeakPolarHBondContact CA-CE1 3.33Å; S163-H188 WeakPolarHBondContact CB-CE1 3.5Å; S163-H188 WeakPolarHBondContact CB-ND1 3.42Å
164	N	45.9	Very low	55.5	Low	50 Å²	50	41.9 Å²	41.9	27%	0.267	22%	0.22	S	C	.	.			trans	-90.2	124.8	-176.8	-88.9	-53.9	0	0	0	112.5	N93 S95 S162 K166 Y167	N93-N164 PolarHBondContact OD1-ND2 3.39Å; S95-N164 PolarHBondContact OG-ND2 2.84Å; S162-N164 PolarHBondContact O-N 2.67Å; N164-K166 PolarHBondContact O-N 3.23Å; N164-Y167 HydrophobicContact CB-CE2 3.86Å; N164-Y167 WeakPolarHBondContact O-CD2 3.15Å; N164-Y167 VanDerWaalsContact O-CE2 3.24Å; N164-Y167 WeakPolarHBondContact O-CE2 3.03Å
165	V	44.5	Very low	56.9	Low	63 Å²	63	42.3 Å²	42.3	38%	0.382	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-8.7	175.4	-161.6	0	0	0	0	114.5	Y167 Y197 M201	V165-Y167 PolarHBondContact O-N 2.89Å; V165-Y197 HydrophobicContact CG2-CE1 4.05Å; V165-M201 HydrophobicContact CB-CE 3.97Å; V165-M201 HydrophobicContact CB-SD 4.42Å; V165-M201 HydrophobicContact CG1-CE 3.41Å; V165-M201 VanDerWaalsContact CG1-CE 3.41Å; V165-M201 HydrophobicContact CG1-SD 3.36Å; V165-M201 WeakPolarHBondContact CG1-SD 3.08Å; V165-M201 HydrophobicContact CG2-CE 3.35Å; V165-M201 HydrophobicContact CG2-SD 4.19Å
166	K	49.1	Very low	58.1	Low	167 Å²	167	46.8 Å²	46.8	73%	0.726	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-3	-179.4	-71	-172.4	177.3	-179.6	0	113.6	N164	N164-K166 PolarHBondContact O-N 3.23Å
167	Y	52.8	Low	59.1	Low	43 Å²	43	52.2 Å²	52.2	17%	0.169	27%	0.265	C	S	.	.			trans	-108.3	43.6	-172	-48.4	-50.2	0	0	0	115.2	V91 V161 N164 V165 I169 P170	V91-Y167 HydrophobicContact CB-CD1 4.35Å; V91-Y167 HydrophobicContact CB-CE1 3.42Å; V91-Y167 VanDerWaalsContact CB-CE1 3.42Å; V91-Y167 HydrophobicContact CB-CE2 4.24Å; V91-Y167 WeakPolarHBondContact CB-OH 3.08Å; V91-Y167 HydrophobicContact CG1-CE1 3.85Å; V91-Y167 WeakPolarHBondContact CG1-OH 3.43Å; V91-Y167 HydrophobicContact CG2-CD1 4.01Å; V91-Y167 HydrophobicContact CG2-CE1 3.29Å; V161-Y167 HydrophobicContact CG1-CD2 3.74Å; V161-Y167 HydrophobicContact CG1-CG 4.31Å; N164-Y167 HydrophobicContact CB-CE2 3.86Å; N164-Y167 WeakPolarHBondContact O-CD2 3.15Å; N164-Y167 VanDerWaalsContact O-CE2 3.24Å; N164-Y167 WeakPolarHBondContact O-CE2 3.03Å; V165-Y167 PolarHBondContact O-N 2.89Å; Y167-I169 PolarHBondContact O-N 3.47Å; Y167-P170 VanDerWaalsContact O-CD 3.29Å; Y167-P170 WeakPolarHBondContact O-CD 3.15Å
168	K	54.8	Low	60.1	Low	117 Å²	117	54 Å²	54	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-20.2	162.5	-64.7	-176.2	179.5	-177	0	112.3	A172 V206	K168-A172 WeakPolarHBondContact O-CB 3.19Å; K168-A172 PolarHBondContact O-N 2.86Å; K168-V206 HydrophobicContact CG-CG2 4.34Å
169	I	55.9	Low	60.9	Low	111 Å²	111	52.5 Å²	52.5	57%	0.569	28%	0.276	S	S	*	.	H	α-helix	trans	-72.1	-48.6	-168	-55	173.6	0	0	0	112.9	Y167 Y171 A172 N173	Y167-I169 PolarHBondContact O-N 3.47Å; I169-Y171 PolarHBondContact O-N 2.81Å; I169-A172 PolarHBondContact O-N 3.31Å; I169-N173 PolarHBondContact O-N 2.71Å; I169-N173 VanDerWaalsContact O-N 3.13Å; I169-N173 PolarHBondContact O-ND2 3.34Å
170	P	64.1	Low	62	Low	24 Å²	24	54.4 Å²	54.4	16%	0.156	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-45.1	-178.9	-24.5	36.3	0	0	0	112.7	F136 Y167 A172 N173 L174	F136-P170 HydrophobicContact CD1-CB 3.78Å; F136-P170 HydrophobicContact CD1-CG 4.11Å; F136-P170 HydrophobicContact CE1-CB 3.93Å; F136-P170 HydrophobicContact CE1-CG 3.84Å; Y167-P170 VanDerWaalsContact O-CD 3.29Å; Y167-P170 WeakPolarHBondContact O-CD 3.15Å; P170-A172 PolarHBondContact O-N 2.97Å; P170-N173 PolarHBondContact O-N 3.01Å; P170-L174 VanDerWaalsContact O-CB 3.26Å; P170-L174 WeakPolarHBondContact O-CB 3.18Å; P170-L174 WeakPolarHBondContact O-CD1 3.36Å; P170-L174 WeakPolarHBondContact O-CG 3.14Å; P170-L174 PolarHBondContact O-N 2.98Å
171	Y	70.3	Confident	63.2	Low	1 Å²	1	52.8 Å²	52.8	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-45.6	180	-162.8	-74.4	0	0	0	112	F159 I169 N173 L174 S175 F182 V206 N207 F210 G211 Y214	F159-Y171 HydrophobicContact CE1-CD2 4.24Å; F159-Y171 HydrophobicContact CE2-CD2 4.08Å; F159-Y171 AromaticContact CZ-CD2 3.54Å; F159-Y171 HydrophobicContact CZ-CD2 3.54Å; F159-Y171 HydrophobicContact CZ-CE2 4.01Å; I169-Y171 PolarHBondContact O-N 2.81Å; Y171-N173 PolarHBondContact O-N 3.17Å; Y171-L174 PolarHBondContact O-N 2.89Å; Y171-S175 VanDerWaalsContact O-CB 3.32Å; Y171-S175 WeakPolarHBondContact O-CB 3.45Å; Y171-S175 PolarHBondContact O-N 3.12Å; Y171-F182 HydrophobicContact CD1-CD1 4.28Å; Y171-F182 AromaticContact CD1-CE1 3.92Å; Y171-F182 HydrophobicContact CD1-CE1 3.92Å; Y171-F182 HydrophobicContact CD1-CZ 4.2Å; Y171-F182 HydrophobicContact CD2-CB 4.25Å; Y171-F182 AromaticContact CD2-CD1 3.5Å; Y171-F182 HydrophobicContact CD2-CD1 3.5Å; Y171-F182 AromaticContact CD2-CE1 3.97Å; Y171-F182 HydrophobicContact CD2-CE1 3.97Å; Y171-F182 AromaticContact CD2-CG 3.95Å; Y171-F182 HydrophobicContact CD2-CG 3.95Å; Y171-F182 HydrophobicContact CE1-CD1 4.11Å; Y171-F182 HydrophobicContact CE1-CD2 4.19Å; Y171-F182 AromaticContact CE1-CE1 3.85Å; Y171-F182 HydrophobicContact CE1-CE1 3.85Å; Y171-F182 AromaticContact CE1-CE2 3.95Å; Y171-F182 HydrophobicContact CE1-CE2 3.95Å; Y171-F182 HydrophobicContact CE1-CG 4.27Å; Y171-F182 AromaticContact CE1-CZ 3.78Å; Y171-F182 HydrophobicContact CE1-CZ 3.78Å; Y171-F182 HydrophobicContact CE2-CB 3.48Å; Y171-F182 VanDerWaalsContact CE2-CB 3.48Å; Y171-F182 AromaticContact CE2-CD1 3.33Å; Y171-F182 HydrophobicContact CE2-CD1 3.33Å; Y171-F182 AromaticContact CE2-CD2 3.83Å; Y171-F182 HydrophobicContact CE2-CD2 3.83Å; Y171-F182 AromaticContact CE2-CE1 3.93Å; Y171-F182 HydrophobicContact CE2-CE1 3.93Å; Y171-F182 HydrophobicContact CE2-CE2 4.38Å; Y171-F182 AromaticContact CE2-CG 3.26Å; Y171-F182 HydrophobicContact CE2-CG 3.26Å; Y171-F182 HydrophobicContact CE2-CZ 4.42Å; Y171-F182 AromaticContact CG-CD1 3.99Å; Y171-F182 HydrophobicContact CG-CD1 3.99Å; Y171-F182 AromaticContact CG-CE1 3.97Å; Y171-F182 HydrophobicContact CG-CE1 3.97Å; Y171-F182 AromaticContact CZ-CD1 3.66Å; Y171-F182 AromaticContact CZ-CD2 3.49Å; Y171-F182 VanDerWaalsContact CZ-CD2 3.49Å; Y171-F182 AromaticContact CZ-CE1 3.86Å; Y171-F182 AromaticContact CZ-CE2 3.72Å; Y171-F182 AromaticContact CZ-CG 3.45Å; Y171-F182 VanDerWaalsContact CZ-CG 3.45Å; Y171-F182 AromaticContact CZ-CZ 3.91Å; Y171-F182 WeakPolarHBondContact OH-CD2 3.2Å; Y171-V206 HydrophobicContact CD1-CG1 3.43Å; Y171-V206 VanDerWaalsContact CD1-CG1 3.43Å; Y171-V206 HydrophobicContact CD2-CG1 3.71Å; Y171-V206 HydrophobicContact CE1-CG1 4Å; Y171-V206 HydrophobicContact CE2-CG1 4.22Å; Y171-V206 HydrophobicContact CG-CG1 3.27Å; Y171-N207 PolarHBondContact OH-ND2 3.05Å; Y171-F210 HydrophobicContact CD1-CB 3.77Å; Y171-F210 AromaticContact CD1-CD2 3.93Å; Y171-F210 HydrophobicContact CD1-CD2 3.93Å; Y171-F210 HydrophobicContact CD1-CG 4.11Å; Y171-F210 HydrophobicContact CE1-CB 3.59Å; Y171-F210 HydrophobicContact CE1-CD2 4.46Å; Y171-F210 HydrophobicContact CE1-CG 4.41Å; Y171-G211 PolarHBondContact OH-O 3.03Å; Y171-G211 VanDerWaalsContact OH-O 3.05Å; Y171-Y214 AromaticContact CE2-CD2 3.84Å; Y171-Y214 HydrophobicContact CE2-CD2 3.84Å; Y171-Y214 HydrophobicContact CE2-CG 4.5Å
172	A	74.4	Confident	64.6	Low	14 Å²	14	52.2 Å²	52.2	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-48.5	179.2	0	0	0	0	0	111.5	K168 I169 P170 S175 L176 F210	K168-A172 WeakPolarHBondContact O-CB 3.19Å; K168-A172 PolarHBondContact O-N 2.86Å; I169-A172 PolarHBondContact O-N 3.31Å; P170-A172 PolarHBondContact O-N 2.97Å; A172-S175 PolarHBondContact O-N 2.64Å; A172-L176 VanDerWaalsContact O-CG 3.3Å; A172-L176 WeakPolarHBondContact O-CG 3.26Å; A172-L176 PolarHBondContact O-N 3.36Å; A172-L176 VanDerWaalsContact O-N 3.09Å; A172-F210 HydrophobicContact CB-CD1 4.28Å; A172-F210 HydrophobicContact CB-CD2 4.45Å; A172-F210 HydrophobicContact CB-CE1 3.56Å; A172-F210 HydrophobicContact CB-CE2 3.76Å; A172-F210 HydrophobicContact CB-CZ 3.26Å
173	N	72.6	Confident	66	Low	59 Å²	59	52.2 Å²	52.2	32%	0.316	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-42.7	-180	-67.4	-14.5	0	0	0	111.6	F111 I169 P170 Y171 S175 L176 E177	F111-N173 HydrophobicContact CZ-CB 4.31Å; I169-N173 PolarHBondContact O-N 2.71Å; I169-N173 VanDerWaalsContact O-N 3.13Å; I169-N173 PolarHBondContact O-ND2 3.34Å; P170-N173 PolarHBondContact O-N 3.01Å; Y171-N173 PolarHBondContact O-N 3.17Å; N173-S175 PolarHBondContact O-N 2.81Å; N173-L176 PolarHBondContact O-N 2.71Å; N173-E177 WeakPolarHBondContact O-CG 3.38Å; N173-E177 PolarHBondContact O-N 3.03Å; N173-E177 VanDerWaalsContact O-N 3.13Å
174	L	70.8	Confident	67.6	Low	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-45.8	175.5	-77.4	164.4	0	0	0	112.2	F136 F137 F159 P170 Y171 L176 E177 G178 I179 F182	F136-L174 WeakPolarHBondContact O-CD2 3.4Å; F137-L174 HydrophobicContact CD1-CD2 3.83Å; F137-L174 HydrophobicContact CD2-CD2 3.64Å; F137-L174 HydrophobicContact CD2-CG 4.3Å; F137-L174 HydrophobicContact CE1-CD2 3.51Å; F137-L174 HydrophobicContact CE1-CG 4.45Å; F137-L174 HydrophobicContact CE2-CB 4.48Å; F137-L174 HydrophobicContact CE2-CD2 3.24Å; F137-L174 HydrophobicContact CE2-CG 3.57Å; F137-L174 HydrophobicContact CG-CD2 3.92Å; F137-L174 HydrophobicContact CZ-CB 4.21Å; F137-L174 HydrophobicContact CZ-CD2 3.22Å; F137-L174 HydrophobicContact CZ-CG 3.71Å; F159-L174 HydrophobicContact CB-CD1 3.98Å; F159-L174 HydrophobicContact CD1-CD1 3.78Å; F159-L174 HydrophobicContact CG-CD1 3.92Å; P170-L174 VanDerWaalsContact O-CB 3.26Å; P170-L174 WeakPolarHBondContact O-CB 3.18Å; P170-L174 WeakPolarHBondContact O-CD1 3.36Å; P170-L174 WeakPolarHBondContact O-CG 3.14Å; P170-L174 PolarHBondContact O-N 2.98Å; Y171-L174 PolarHBondContact O-N 2.89Å; L174-L176 VanDerWaalsContact C-N 3.32Å; L174-L176 PolarHBondContact O-N 3.06Å; L174-E177 PolarHBondContact O-N 2.9Å; L174-G178 PolarHBondContact O-N 3.49Å; L174-I179 HydrophobicContact CB-CB 4.21Å; L174-I179 HydrophobicContact CB-CG1 4.04Å; L174-I179 HydrophobicContact CD2-CD1 4.42Å; L174-I179 HydrophobicContact CD2-CG1 3.76Å; L174-I179 WeakPolarHBondContact O-CB 3.24Å; L174-I179 WeakPolarHBondContact O-CG1 3.17Å; L174-I179 PolarHBondContact O-N 3.46Å; L174-I179 VanDerWaalsContact O-N 3.15Å; L174-F182 HydrophobicContact CB-CD1 4.43Å; L174-F182 HydrophobicContact CB-CE1 3.62Å; L174-F182 HydrophobicContact CB-CZ 4.45Å
175	S	75.2	Confident	69.2	Low	27 Å²	27	49.9 Å²	49.9	19%	0.189	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-43.1	175.7	171.9	0	0	0	0	111.9	Y171 A172 N173 E177 G178 F210	Y171-S175 VanDerWaalsContact O-CB 3.32Å; Y171-S175 WeakPolarHBondContact O-CB 3.45Å; Y171-S175 PolarHBondContact O-N 3.12Å; A172-S175 PolarHBondContact O-N 2.64Å; N173-S175 PolarHBondContact O-N 2.81Å; S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 PolarHBondContact O-N 3.44Å; S175-G178 PolarHBondContact O-N 2.89Å; S175-F210 PolarHBondContact OG-O 3.38Å
176	L	78	Confident	70.9	Confident	138 Å²	138	46.9 Å²	46.9	72%	0.723	24%	0.243	S	C	*	.	H	α-helix	trans	-64.7	-28.1	177.8	-69.1	171.3	0	0	0	113.4	A172 N173 L174 G178	A172-L176 VanDerWaalsContact O-CG 3.3Å; A172-L176 WeakPolarHBondContact O-CG 3.26Å; A172-L176 PolarHBondContact O-N 3.36Å; A172-L176 VanDerWaalsContact O-N 3.09Å; N173-L176 PolarHBondContact O-N 2.71Å; L174-L176 VanDerWaalsContact C-N 3.32Å; L174-L176 PolarHBondContact O-N 3.06Å; L176-G178 PolarHBondContact O-N 3.35Å
177	E	73.9	Confident	72.6	Confident	139 Å²	139	39.4 Å²	39.4	65%	0.65	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	4.4	174.4	-67.1	-66.8	152	0	0	113.3	F137 N173 L174 S175	F137-E177 HydrophobicContact CE1-CB 3.62Å; F137-E177 HydrophobicContact CE1-CG 3.65Å; F137-E177 HydrophobicContact CZ-CB 3.89Å; F137-E177 HydrophobicContact CZ-CG 3.59Å; N173-E177 WeakPolarHBondContact O-CG 3.38Å; N173-E177 PolarHBondContact O-N 3.03Å; N173-E177 VanDerWaalsContact O-N 3.13Å; L174-E177 PolarHBondContact O-N 2.9Å; S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 PolarHBondContact O-N 3.44Å
178	G	74.2	Confident	74.1	Confident	41 Å²	41	38.1 Å²	38.1	42%	0.423	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	23.2	176.9	0	0	0	0	0	114.4	L174 S175 L176	L174-G178 PolarHBondContact O-N 3.49Å; S175-G178 PolarHBondContact O-N 2.89Å; L176-G178 PolarHBondContact O-N 3.35Å
179	I	73.5	Confident	75.7	Confident	17 Å²	17	33 Å²	33	9%	0.087	19%	0.185	C	C	.	.			trans	-70.7	130.9	168.9	-61.6	-66.5	0	0	0	109.7	T155 G157 L174 I181 F182	T155-I179 HydrophobicContact CG2-CD1 3.53Å; G157-I179 VanDerWaalsContact N-CG2 3.32Å; L174-I179 HydrophobicContact CB-CB 4.21Å; L174-I179 HydrophobicContact CB-CG1 4.04Å; L174-I179 HydrophobicContact CD2-CD1 4.42Å; L174-I179 HydrophobicContact CD2-CG1 3.76Å; L174-I179 WeakPolarHBondContact O-CB 3.24Å; L174-I179 WeakPolarHBondContact O-CG1 3.17Å; L174-I179 PolarHBondContact O-N 3.46Å; L174-I179 VanDerWaalsContact O-N 3.15Å; I179-I181 WeakPolarHBondContact CG2-O 3.23Å; I179-F182 HydrophobicContact CB-CE1 4.19Å; I179-F182 HydrophobicContact CB-CZ 3.95Å; I179-F182 HydrophobicContact CG2-CD1 4.08Å; I179-F182 HydrophobicContact CG2-CD2 4.31Å; I179-F182 HydrophobicContact CG2-CE1 3.78Å; I179-F182 HydrophobicContact CG2-CE2 4.02Å; I179-F182 HydrophobicContact CG2-CG 4.34Å; I179-F182 HydrophobicContact CG2-CZ 3.73Å; I179-F182 VanDerWaalsContact O-CE2 3.27Å; I179-F182 WeakPolarHBondContact O-CE2 3.01Å; I179-F182 WeakPolarHBondContact O-CZ 3.13Å
180	E	75	Confident	77.3	Confident	47 Å²	47	27.7 Å²	27.7	22%	0.22	16%	0.157	C	C	.	.			trans	-107.5	-32	-176	-75.5	176.2	170.2	0	0	112.7	G154 T155 G212 I213 F265	G154-E180 WeakPolarHBondContact CA-OE2 3.49Å; T155-E180 PolarHBondContact O-N 3.37Å; E180-G212 CarbonylContact O-C 3.55Å; E180-G212 WeakPolarHBondContact O-CA 3.45Å; E180-I213 PolarHBondContact O-N 2.96Å; E180-F265 HydrophobicContact CB-CD1 3.78Å; E180-F265 HydrophobicContact CB-CE1 4.09Å; E180-F265 HydrophobicContact CG-CD1 3.89Å
181	I	77.3	Confident	78.3	Confident	8 Å²	8	28 Å²	28	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.9	-179.6	-55.9	-178.6	0	0	0	108.8	M1 L36 T155 V156 G157 I179 I213 I215	M1-I181 HydrophobicContact CE-CD1 3.89Å; L36-I181 HydrophobicContact CD2-CG2 4.05Å; T155-I181 PolarHBondContact O-N 3.04Å; V156-I181 HydrophobicContact CB-CB 4.46Å; V156-I181 HydrophobicContact CG1-CB 4.23Å; V156-I181 HydrophobicContact CG1-CG2 4.24Å; V156-I181 HydrophobicContact CG2-CB 4.2Å; V156-I181 HydrophobicContact CG2-CD1 4.16Å; G157-I181 CarbonylContact C-O 3.41Å; G157-I181 WeakPolarHBondContact CA-O 3.41Å; G157-I181 PolarHBondContact N-O 3.29Å; I179-I181 WeakPolarHBondContact CG2-O 3.23Å; I181-I213 CarbonylContact C-O 3.39Å; I181-I213 WeakPolarHBondContact CA-O 3.19Å; I181-I213 HydrophobicContact CD1-CD1 4.27Å; I181-I213 HydrophobicContact CG1-CB 4.31Å; I181-I213 HydrophobicContact CG1-CD1 3.79Å; I181-I213 HydrophobicContact CG2-CG2 4.46Å; I181-I215 HydrophobicContact CG2-CD1 3.96Å
182	F	78.1	Confident	78.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	101	-171.5	-71	-90	0	0	0	109.3	G157 F159 Y171 L174 I179 I213 Y214 I215	G157-F182 WeakPolarHBondContact O-CA 3.5Å; F159-F182 HydrophobicContact CD1-CD1 4.21Å; F159-F182 HydrophobicContact CE1-CB 3.43Å; F159-F182 VanDerWaalsContact CE1-CB 3.43Å; F159-F182 AromaticContact CE1-CD1 3.52Å; F159-F182 HydrophobicContact CE1-CD1 3.52Å; F159-F182 AromaticContact CE1-CG 3.94Å; F159-F182 HydrophobicContact CE1-CG 3.94Å; F159-F182 HydrophobicContact CZ-CB 3.88Å; F159-F182 HydrophobicContact CZ-CD1 4.09Å; F159-F182 HydrophobicContact CZ-CG 4.46Å; Y171-F182 HydrophobicContact CD1-CD1 4.28Å; Y171-F182 AromaticContact CD1-CE1 3.92Å; Y171-F182 HydrophobicContact CD1-CE1 3.92Å; Y171-F182 HydrophobicContact CD1-CZ 4.2Å; Y171-F182 HydrophobicContact CD2-CB 4.25Å; Y171-F182 AromaticContact CD2-CD1 3.5Å; Y171-F182 HydrophobicContact CD2-CD1 3.5Å; Y171-F182 AromaticContact CD2-CE1 3.97Å; Y171-F182 HydrophobicContact CD2-CE1 3.97Å; Y171-F182 AromaticContact CD2-CG 3.95Å; Y171-F182 HydrophobicContact CD2-CG 3.95Å; Y171-F182 HydrophobicContact CE1-CD1 4.11Å; Y171-F182 HydrophobicContact CE1-CD2 4.19Å; Y171-F182 AromaticContact CE1-CE1 3.85Å; Y171-F182 HydrophobicContact CE1-CE1 3.85Å; Y171-F182 AromaticContact CE1-CE2 3.95Å; Y171-F182 HydrophobicContact CE1-CE2 3.95Å; Y171-F182 HydrophobicContact CE1-CG 4.27Å; Y171-F182 AromaticContact CE1-CZ 3.78Å; Y171-F182 HydrophobicContact CE1-CZ 3.78Å; Y171-F182 HydrophobicContact CE2-CB 3.48Å; Y171-F182 VanDerWaalsContact CE2-CB 3.48Å; Y171-F182 AromaticContact CE2-CD1 3.33Å; Y171-F182 HydrophobicContact CE2-CD1 3.33Å; Y171-F182 AromaticContact CE2-CD2 3.83Å; Y171-F182 HydrophobicContact CE2-CD2 3.83Å; Y171-F182 AromaticContact CE2-CE1 3.93Å; Y171-F182 HydrophobicContact CE2-CE1 3.93Å; Y171-F182 HydrophobicContact CE2-CE2 4.38Å; Y171-F182 AromaticContact CE2-CG 3.26Å; Y171-F182 HydrophobicContact CE2-CG 3.26Å; Y171-F182 HydrophobicContact CE2-CZ 4.42Å; Y171-F182 AromaticContact CG-CD1 3.99Å; Y171-F182 HydrophobicContact CG-CD1 3.99Å; Y171-F182 AromaticContact CG-CE1 3.97Å; Y171-F182 HydrophobicContact CG-CE1 3.97Å; Y171-F182 AromaticContact CZ-CD1 3.66Å; Y171-F182 AromaticContact CZ-CD2 3.49Å; Y171-F182 VanDerWaalsContact CZ-CD2 3.49Å; Y171-F182 AromaticContact CZ-CE1 3.86Å; Y171-F182 AromaticContact CZ-CE2 3.72Å; Y171-F182 AromaticContact CZ-CG 3.45Å; Y171-F182 VanDerWaalsContact CZ-CG 3.45Å; Y171-F182 AromaticContact CZ-CZ 3.91Å; Y171-F182 WeakPolarHBondContact OH-CD2 3.2Å; L174-F182 HydrophobicContact CB-CD1 4.43Å; L174-F182 HydrophobicContact CB-CE1 3.62Å; L174-F182 HydrophobicContact CB-CZ 4.45Å; I179-F182 HydrophobicContact CB-CE1 4.19Å; I179-F182 HydrophobicContact CB-CZ 3.95Å; I179-F182 HydrophobicContact CG2-CD1 4.08Å; I179-F182 HydrophobicContact CG2-CD2 4.31Å; I179-F182 HydrophobicContact CG2-CE1 3.78Å; I179-F182 HydrophobicContact CG2-CE2 4.02Å; I179-F182 HydrophobicContact CG2-CG 4.34Å; I179-F182 HydrophobicContact CG2-CZ 3.73Å; I179-F182 VanDerWaalsContact O-CE2 3.27Å; I179-F182 WeakPolarHBondContact O-CE2 3.01Å; I179-F182 WeakPolarHBondContact O-CZ 3.13Å; F182-I213 WeakPolarHBondContact CB-O 3.29Å; F182-I213 PolarHBondContact N-O 3.48Å; F182-Y214 HydrophobicContact CB-CD2 4.08Å; F182-Y214 CarbonylContact O-C 3.48Å; F182-Y214 WeakPolarHBondContact O-CA 3.1Å; F182-I215 PolarHBondContact O-N 3.44Å
183	C	78.8	Confident	78.8	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.4	179.1	-59.1	0	0	0	0	110.6	V38 G157 I158 F159 I215	V38-C183 HydrophobicContact CG1-CB 4.15Å; V38-C183 HydrophobicContact CG2-CB 4.06Å; G157-C183 PolarHBondContact O-N 3.5Å; I158-C183 HydrophobicContact CG1-CB 4.14Å; I158-C183 HydrophobicContact CG2-CB 4.3Å; F159-C183 PolarHBondContact N-O 3Å; C183-I215 CarbonylContact C-O 3.54Å; C183-I215 WeakPolarHBondContact CA-O 3.43Å
184	N	79.7	Confident	78.9	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	105.5	176.3	-175.3	14.6	0	0	0	110.9	F159 V161 T186 Y214 I215 R216 A217	F159-N184 HydrophobicContact CE2-CB 4.44Å; F159-N184 HydrophobicContact CZ-CB 4.39Å; F159-N184 WeakPolarHBondContact O-CA 3.44Å; V161-N184 PolarHBondContact N-OD1 2.97Å; N184-T186 WeakPolarHBondContact ND2-CG2 3.46Å; N184-T186 VanDerWaalsContact OD1-CG2 3.23Å; N184-T186 WeakPolarHBondContact OD1-CG2 3.48Å; N184-Y214 HydrophobicContact CB-CE2 3.69Å; N184-Y214 PolarHBondContact ND2-OH 3.4Å; N184-I215 PolarHBondContact N-O 3.21Å; N184-R216 CarbonylContact O-C 3.54Å; N184-R216 VanDerWaalsContact O-CA 3.29Å; N184-R216 WeakPolarHBondContact O-CA 3.33Å; N184-A217 PolarHBondContact O-N 2.91Å
185	S	80.7	Confident	78.8	Confident	24 Å²	24	29.9 Å²	29.9	17%	0.168	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.9	172.9	-67.8	0	0	0	0	109.2	G39	G39-S185 WeakPolarHBondContact O-CB 3.31Å; G39-S185 PolarHBondContact O-OG 2.89Å
186	T	80.8	Confident	78.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.6	-170.2	63.9	0	0	0	0	112.6	E41 N184 H188 R216 A217 N218 Q219	E41-T186 WeakPolarHBondContact OE2-CA 3.36Å; N184-T186 WeakPolarHBondContact ND2-CG2 3.46Å; N184-T186 VanDerWaalsContact OD1-CG2 3.23Å; N184-T186 WeakPolarHBondContact OD1-CG2 3.48Å; T186-H188 WeakPolarHBondContact CB-CD2 3.38Å; T186-H188 VanDerWaalsContact CB-NE2 3.34Å; T186-H188 WeakPolarHBondContact CB-NE2 3.47Å; T186-H188 WeakPolarHBondContact CG2-NE2 3.47Å; T186-H188 PolarHBondContact OG1-CD2 3.22Å; T186-R216 HydrophobicContact CG2-CG 4.27Å; T186-A217 PolarHBondContact N-O 2.99Å; T186-A217 PolarHBondContact OG1-O 3.27Å; T186-N218 WeakPolarHBondContact O-CA 3.44Å; T186-N218 PolarHBondContact O-OD1 2.8Å; T186-N218 PolarHBondContact OG1-OD1 2.98Å; T186-Q219 PolarHBondContact O-N 3.24Å
187	V	83.9	Confident	78.2	Confident	9 Å²	9	30.9 Å²	30.9	6%	0.055	16%	0.162	C	C	.	.			trans	-124.1	65.6	166.6	-69.2	0	0	0	0	111.9	E41 A47 H98 Y189 N218 Q219 Y229	E41-V187 HydrophobicContact CB-CB 4.48Å; E41-V187 HydrophobicContact CB-CG1 3.73Å; E41-V187 HydrophobicContact CB-CG2 4.44Å; E41-V187 HydrophobicContact CG-CG1 4.01Å; E41-V187 HydrophobicContact CG-CG2 3.97Å; E41-V187 WeakPolarHBondContact O-CG1 3.34Å; E41-V187 WeakPolarHBondContact OE2-CG2 3.41Å; E41-V187 PolarHBondContact OE2-N 2.83Å; A47-V187 HydrophobicContact CB-CB 3.75Å; A47-V187 HydrophobicContact CB-CG1 3.26Å; A47-V187 HydrophobicContact CB-CG2 3.82Å; H98-V187 PolarHBondContact CE1-O 2.91Å; V187-Y189 PolarHBondContact O-N 3.21Å; V187-N218 WeakPolarHBondContact CA-OD1 3.48Å; V187-Q219 HydrophobicContact CG1-CB 3.99Å; V187-Y229 HydrophobicContact CB-CD1 4.15Å; V187-Y229 HydrophobicContact CB-CE1 3.78Å; V187-Y229 WeakPolarHBondContact O-CE1 3.27Å
188	H	84.2	Confident	77.9	Confident	17 Å²	17	25.5 Å²	25.5	8%	0.079	14%	0.139	C	C	.	.			trans	-81.9	114.5	174.4	-62.6	-53.3	0	0	0	111.5	S163 T186 R216 N218	S163-H188 WeakPolarHBondContact CA-CE1 3.33Å; S163-H188 WeakPolarHBondContact CB-CE1 3.5Å; S163-H188 WeakPolarHBondContact CB-ND1 3.42Å; T186-H188 WeakPolarHBondContact CB-CD2 3.38Å; T186-H188 VanDerWaalsContact CB-NE2 3.34Å; T186-H188 WeakPolarHBondContact CB-NE2 3.47Å; T186-H188 WeakPolarHBondContact CG2-NE2 3.47Å; T186-H188 PolarHBondContact OG1-CD2 3.22Å; H188-R216 PolarHBondContact CD2-NH2 3.16Å; H188-N218 PolarHBondContact N-OD1 3.39Å; H188-N218 PolarHBondContact O-ND2 2.71Å
189	Y	88.5	Confident	77.8	Confident	9 Å²	9	24.2 Å²	24.2	4%	0.035	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-69	153.3	166.7	62	-100.4	0	0	0	111.3	L97 H98 V187 E191 K194 V227 H599	L97-Y189 HydrophobicContact CB-CD1 4.45Å; L97-Y189 HydrophobicContact CB-CE1 3.8Å; L97-Y189 HydrophobicContact CD1-CD1 4.48Å; L97-Y189 HydrophobicContact CD1-CE1 4.26Å; L97-Y189 HydrophobicContact CD1-CE2 4.37Å; L97-Y189 HydrophobicContact CG-CE1 4.44Å; H98-Y189 AromaticContact CD2-CE1 3.52Å; H98-Y189 AromaticContact NE2-CD1 3.61Å; H98-Y189 AromaticContact NE2-CE1 3.33Å; H98-Y189 VanDerWaalsContact NE2-CE1 3.33Å; H98-Y189 WeakPolarHBondContact NE2-CE1 3.44Å; V187-Y189 PolarHBondContact O-N 3.21Å; Y189-E191 HydrophobicContact CD2-CB 4.46Å; Y189-E191 HydrophobicContact CE2-CB 4.19Å; Y189-E191 WeakPolarHBondContact CE2-OE2 3.45Å; Y189-K194 PolarHBondContact OH-NZ 3.09Å; Y189-V227 HydrophobicContact CG-CB 4.48Å; Y189-V227 HydrophobicContact CG-CG1 4.25Å; Y189-H599 AromaticContact CD2-CD2 3.57Å; Y189-H599 AromaticContact CE2-CD2 3.37Å; Y189-H599 WeakPolarHBondContact CE2-CD2 3.38Å; Y189-H599 AromaticContact CE2-NE2 3.33Å; Y189-H599 VanDerWaalsContact CE2-NE2 3.33Å; Y189-H599 WeakPolarHBondContact CE2-NE2 3.34Å
190	H	88.8	Confident	77.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.			trans	-64.8	131.4	173.8	173.6	-103.3	0	0	0	111.2	Y228 D230 F248 W285 Y598	H190-Y228 VanDerWaalsContact CB-O 3.28Å; H190-Y228 WeakPolarHBondContact CB-O 3.47Å; H190-Y228 PolarHBondContact N-O 3.29Å; H190-D230 HydrophobicContact CB-CB 4.21Å; H190-F248 AromaticContact CD2-CZ 3.99Å; H190-W285 AromaticContact CD2-CE3 3.49Å; H190-W285 VanDerWaalsContact CD2-CE3 3.49Å; H190-W285 AromaticContact NE2-CE3 3.6Å; H190-Y598 AromaticContact ND1-CZ 3.82Å; H190-Y598 PolarHBondContact ND1-OH 3.43Å
191	E	86.4	Confident	77.7	Confident	30 Å²	30	23.6 Å²	23.6	14%	0.14	12%	0.124	C	C	.	.			trans	-146.2	134.6	170.1	-171	-173.2	121.2	0	0	106.6	Y189 G193 K194 P195 A600 F602	Y189-E191 HydrophobicContact CD2-CB 4.46Å; Y189-E191 HydrophobicContact CE2-CB 4.19Å; Y189-E191 WeakPolarHBondContact CE2-OE2 3.45Å; E191-G193 PolarHBondContact O-N 3.45Å; E191-K194 HydrophobicContact CB-CB 3.87Å; E191-K194 HydrophobicContact CB-CD 3.67Å; E191-K194 HydrophobicContact CB-CG 4.49Å; E191-K194 HydrophobicContact CG-CB 4.5Å; E191-K194 HydrophobicContact CG-CD 4.29Å; E191-K194 WeakPolarHBondContact O-CB 3.46Å; E191-K194 PolarHBondContact O-N 3Å; E191-K194 IonicContact OE2-NZ 3.92Å; E191-K194 PolarHBondContact OE2-NZ 3.46Å; E191-P195 WeakPolarHBondContact O-CD 3.36Å; E191-A600 CarbonylContact C-O 3.56Å; E191-A600 WeakPolarHBondContact CA-O 3.47Å; E191-F602 HydrophobicContact CG-CB 4.42Å; E191-F602 WeakPolarHBondContact OE1-CB 3.31Å
192	L	80.2	Confident	77.6	Confident	40 Å²	40	24.9 Å²	24.9	21%	0.209	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	122.6	-174.2	-71.8	169.9	0	0	0	111.3	K194 W285 L484 T488 A600 D601	L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 2.97Å; L192-W285 HydrophobicContact CD2-CB 4.32Å; L192-L484 HydrophobicContact CD1-CD2 4.06Å; L192-T488 HydrophobicContact CD1-CG2 4.49Å; L192-A600 VanDerWaalsContact CG-O 3.3Å; L192-A600 WeakPolarHBondContact CG-O 3.25Å; L192-A600 PolarHBondContact N-O 3.38Å; L192-D601 HydrophobicContact CD1-CB 4.46Å
193	G	73.9	Confident	77.7	Confident	26 Å²	26	25.3 Å²	25.3	27%	0.268	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-9.3	178.6	0	0	0	0	0	115.7	E191 E196 Y197	E191-G193 PolarHBondContact O-N 3.45Å; G193-E196 WeakPolarHBondContact CA-OE2 3.35Å; G193-Y197 PolarHBondContact O-N 3.37Å
194	K	75.1	Confident	77.4	Confident	46 Å²	46	30.7 Å²	30.7	20%	0.2	16%	0.158	C	C	.	.	H	α-helix	trans	-77.1	-40	-176.9	-172.5	180	-171.6	172.3	0	113.9	Y189 E191 L192 E196 Y197 S198	Y189-K194 PolarHBondContact OH-NZ 3.09Å; E191-K194 HydrophobicContact CB-CB 3.87Å; E191-K194 HydrophobicContact CB-CD 3.67Å; E191-K194 HydrophobicContact CB-CG 4.49Å; E191-K194 HydrophobicContact CG-CB 4.5Å; E191-K194 HydrophobicContact CG-CD 4.29Å; E191-K194 WeakPolarHBondContact O-CB 3.46Å; E191-K194 PolarHBondContact O-N 3Å; E191-K194 IonicContact OE2-NZ 3.92Å; E191-K194 PolarHBondContact OE2-NZ 3.46Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 2.97Å; K194-E196 VanDerWaalsContact C-N 3.29Å; K194-E196 PolarHBondContact O-N 2.76Å; K194-Y197 PolarHBondContact O-N 2.99Å; K194-S198 WeakPolarHBondContact O-CB 3.42Å; K194-S198 PolarHBondContact O-N 3.27Å; K194-S198 PolarHBondContact O-OG 3.09Å
195	P	68.8	Low	77	Confident	3 Å²	3	33 Å²	33	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-44.3	175.5	-27.8	37.7	0	0	0	111.7	E191 Y197 S198 V199 D230 F280 W285	E191-P195 WeakPolarHBondContact O-CD 3.36Å; P195-Y197 VanDerWaalsContact C-N 3.34Å; P195-Y197 PolarHBondContact O-N 3.45Å; P195-S198 PolarHBondContact O-N 3.44Å; P195-S198 PolarHBondContact O-OG 3Å; P195-S198 VanDerWaalsContact O-OG 3.11Å; P195-V199 VanDerWaalsContact O-CB 3.25Å; P195-V199 WeakPolarHBondContact O-CB 3.4Å; P195-V199 VanDerWaalsContact O-CG2 3.27Å; P195-V199 WeakPolarHBondContact O-CG2 3.33Å; P195-V199 PolarHBondContact O-N 3.49Å; P195-D230 WeakPolarHBondContact CB-OD2 3.44Å; P195-D230 WeakPolarHBondContact CG-OD2 3.47Å; P195-F280 HydrophobicContact CB-CE1 4.24Å; P195-W285 HydrophobicContact CB-CH2 3.94Å; P195-W285 HydrophobicContact CB-CZ3 3.88Å; P195-W285 HydrophobicContact CG-CE3 4.09Å; P195-W285 HydrophobicContact CG-CH2 4.14Å; P195-W285 HydrophobicContact CG-CZ3 3.55Å
196	E	69.1	Low	76.7	Confident	45 Å²	45	32.2 Å²	32.2	21%	0.21	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-47.6	177	-64	79.8	-177.3	0	0	111.6	G193 K194 G200 F280	G193-E196 WeakPolarHBondContact CA-OE2 3.35Å; K194-E196 VanDerWaalsContact C-N 3.29Å; K194-E196 PolarHBondContact O-N 2.76Å; E196-G200 WeakPolarHBondContact O-CA 3.23Å; E196-G200 PolarHBondContact O-N 3.47Å; E196-F280 HydrophobicContact CG-CB 3.37Å; E196-F280 HydrophobicContact CG-CD1 3.79Å; E196-F280 HydrophobicContact CG-CD2 4.13Å; E196-F280 HydrophobicContact CG-CG 3.52Å; E196-F280 VanDerWaalsContact OE1-CB 3.22Å; E196-F280 WeakPolarHBondContact OE1-CB 3.09Å; E196-F280 WeakPolarHBondContact OE1-CD1 3.16Å
197	Y	70.6	Confident	76.8	Confident	141 Å²	141	32.2 Å²	32.2	55%	0.553	17%	0.169	S	C	*	.	H	α-helix	trans	-67.2	-47.2	-179.7	-178.1	-106.3	0	0	0	112	V165 G193 K194 P195 M201	V165-Y197 HydrophobicContact CG2-CE1 4.05Å; G193-Y197 PolarHBondContact O-N 3.37Å; K194-Y197 PolarHBondContact O-N 2.99Å; P195-Y197 VanDerWaalsContact C-N 3.34Å; P195-Y197 PolarHBondContact O-N 3.45Å; Y197-M201 HydrophobicContact CD1-CE 3.58Å; Y197-M201 HydrophobicContact CD1-SD 4.24Å; Y197-M201 HydrophobicContact CD2-CG 4.48Å; Y197-M201 HydrophobicContact CD2-SD 4.44Å; Y197-M201 HydrophobicContact CE1-CE 3.2Å; Y197-M201 HydrophobicContact CE1-SD 3.56Å; Y197-M201 VanDerWaalsContact CE1-SD 3.56Å; Y197-M201 HydrophobicContact CE2-CE 4.39Å; Y197-M201 HydrophobicContact CE2-CG 4.22Å; Y197-M201 HydrophobicContact CE2-SD 3.77Å; Y197-M201 HydrophobicContact CG-CE 4.34Å; Y197-M201 WeakPolarHBondContact O-CB 3.47Å; Y197-M201 VanDerWaalsContact O-CG 3.29Å; Y197-M201 WeakPolarHBondContact O-CG 3.44Å; Y197-M201 PolarHBondContact O-N 2.76Å; Y197-M201 PolarHBondContact OH-SD 3.34Å; Y197-M201 VanDerWaalsContact OH-SD 3.32Å
198	S	68.7	Low	76.8	Confident	25 Å²	25	35.9 Å²	35.9	18%	0.175	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-44.2	-177.7	62.8	0	0	0	0	112.6	K194 P195 M202	K194-S198 WeakPolarHBondContact O-CB 3.42Å; K194-S198 PolarHBondContact O-N 3.27Å; K194-S198 PolarHBondContact O-OG 3.09Å; P195-S198 PolarHBondContact O-N 3.44Å; P195-S198 PolarHBondContact O-OG 3Å; P195-S198 VanDerWaalsContact O-OG 3.11Å; S198-M202 WeakPolarHBondContact O-CG 2.85Å; S198-M202 PolarHBondContact O-N 3.17Å; S198-M202 VanDerWaalsContact O-N 3.15Å
199	V	72.5	Confident	76.7	Confident	14 Å²	14	42.2 Å²	42.2	9%	0.085	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-49.8	176.2	169.6	0	0	0	0	110.4	P195 M201 M202 V203 L234	P195-V199 VanDerWaalsContact O-CB 3.25Å; P195-V199 WeakPolarHBondContact O-CB 3.4Å; P195-V199 VanDerWaalsContact O-CG2 3.27Å; P195-V199 WeakPolarHBondContact O-CG2 3.33Å; P195-V199 PolarHBondContact O-N 3.49Å; V199-M201 VanDerWaalsContact C-N 3.33Å; V199-M201 PolarHBondContact O-N 3.2Å; V199-M202 PolarHBondContact O-N 2.86Å; V199-V203 HydrophobicContact CG1-CG2 4.2Å; V199-V203 WeakPolarHBondContact O-CB 3.2Å; V199-V203 WeakPolarHBondContact O-CG2 3.47Å; V199-V203 PolarHBondContact O-N 3.07Å; V199-L234 HydrophobicContact CB-CD2 4Å; V199-L234 HydrophobicContact CG1-CD2 3.32Å; V199-L234 HydrophobicContact CG2-CD2 3.59Å
200	G	73.3	Confident	76.3	Confident	14 Å²	14	44.3 Å²	44.3	14%	0.144	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-47.7	178.5	0	0	0	0	0	111.6	E196 M202 E204	E196-G200 WeakPolarHBondContact O-CA 3.23Å; E196-G200 PolarHBondContact O-N 3.47Å; G200-M202 PolarHBondContact O-N 3.47Å; G200-E204 WeakPolarHBondContact O-CA 3.47Å; G200-E204 WeakPolarHBondContact O-CB 3.33Å; G200-E204 VanDerWaalsContact O-CG 3.25Å; G200-E204 WeakPolarHBondContact O-CG 3.47Å; G200-E204 PolarHBondContact O-N 3.39Å
201	M	72.3	Confident	75.9	Confident	37 Å²	37	44.5 Å²	44.5	18%	0.182	22%	0.224	C	C	.	.	I	π-helix	trans	-64.9	-43.6	178	-74.8	-166.2	-51.2	0	0	114.2	V165 Y197 V199 S205 V206	V165-M201 HydrophobicContact CB-CE 3.97Å; V165-M201 HydrophobicContact CB-SD 4.42Å; V165-M201 HydrophobicContact CG1-CE 3.41Å; V165-M201 VanDerWaalsContact CG1-CE 3.41Å; V165-M201 HydrophobicContact CG1-SD 3.36Å; V165-M201 WeakPolarHBondContact CG1-SD 3.08Å; V165-M201 HydrophobicContact CG2-CE 3.35Å; V165-M201 HydrophobicContact CG2-SD 4.19Å; Y197-M201 HydrophobicContact CD1-CE 3.58Å; Y197-M201 HydrophobicContact CD1-SD 4.24Å; Y197-M201 HydrophobicContact CD2-CG 4.48Å; Y197-M201 HydrophobicContact CD2-SD 4.44Å; Y197-M201 HydrophobicContact CE1-CE 3.2Å; Y197-M201 HydrophobicContact CE1-SD 3.56Å; Y197-M201 VanDerWaalsContact CE1-SD 3.56Å; Y197-M201 HydrophobicContact CE2-CE 4.39Å; Y197-M201 HydrophobicContact CE2-CG 4.22Å; Y197-M201 HydrophobicContact CE2-SD 3.77Å; Y197-M201 HydrophobicContact CG-CE 4.34Å; Y197-M201 WeakPolarHBondContact O-CB 3.47Å; Y197-M201 VanDerWaalsContact O-CG 3.29Å; Y197-M201 WeakPolarHBondContact O-CG 3.44Å; Y197-M201 PolarHBondContact O-N 2.76Å; Y197-M201 PolarHBondContact OH-SD 3.34Å; Y197-M201 VanDerWaalsContact OH-SD 3.32Å; V199-M201 VanDerWaalsContact C-N 3.33Å; V199-M201 PolarHBondContact O-N 3.2Å; M201-S205 WeakPolarHBondContact O-CA 3.43Å; M201-S205 WeakPolarHBondContact O-CB 3.48Å; M201-S205 PolarHBondContact O-N 3.14Å; M201-V206 PolarHBondContact O-N 3.49Å
202	M	75.5	Confident	75.7	Confident	35 Å²	35	43.2 Å²	43.2	17%	0.172	22%	0.219	C	C	.	.	I	π-helix	trans	-69.3	-39.6	-177.7	-72.9	-58.4	-68.2	0	0	111.7	S198 V199 G200 V206 N207 Y214	S198-M202 WeakPolarHBondContact O-CG 2.85Å; S198-M202 PolarHBondContact O-N 3.17Å; S198-M202 VanDerWaalsContact O-N 3.15Å; V199-M202 PolarHBondContact O-N 2.86Å; G200-M202 PolarHBondContact O-N 3.47Å; M202-V206 WeakPolarHBondContact O-CB 3.29Å; M202-V206 HydrophobicContact SD-CG2 4.22Å; M202-N207 PolarHBondContact O-N 3.18Å; M202-Y214 HydrophobicContact CB-CE1 3.79Å; M202-Y214 HydrophobicContact CE-CD2 4.46Å; M202-Y214 HydrophobicContact CE-CE1 4.42Å; M202-Y214 HydrophobicContact CE-CE2 3.57Å; M202-Y214 WeakPolarHBondContact CE-OH 3.44Å; M202-Y214 HydrophobicContact CG-CE1 4.48Å
203	V	79.6	Confident	75.9	Confident	9 Å²	9	41.3 Å²	41.3	6%	0.055	21%	0.209	C	C	.	.	I	π-helix	trans	-75.7	-54.9	179.6	178.4	0	0	0	0	110.7	V199 Q208 L234 A236 G239	V199-V203 HydrophobicContact CG1-CG2 4.2Å; V199-V203 WeakPolarHBondContact O-CB 3.2Å; V199-V203 WeakPolarHBondContact O-CG2 3.47Å; V199-V203 PolarHBondContact O-N 3.07Å; V203-Q208 PolarHBondContact O-N 3.26Å; V203-L234 HydrophobicContact CG2-CD1 4.1Å; V203-L234 HydrophobicContact CG2-CD2 4.34Å; V203-A236 HydrophobicContact CB-CB 4.46Å; V203-A236 HydrophobicContact CG1-CB 3.98Å; V203-A236 HydrophobicContact CG2-CB 3.8Å; V203-G239 VanDerWaalsContact CG1-O 3.26Å; V203-G239 WeakPolarHBondContact CG1-O 3.39Å
204	E	73.9	Confident	76.4	Confident	116 Å²	116	40.1 Å²	40.1	54%	0.542	20%	0.197	S	C	.	.	I	π-helix	trans	-80.6	-33.2	-171.4	-54.8	172.5	178.2	0	0	113	G200 Q208	G200-E204 WeakPolarHBondContact O-CA 3.47Å; G200-E204 WeakPolarHBondContact O-CB 3.33Å; G200-E204 VanDerWaalsContact O-CG 3.25Å; G200-E204 WeakPolarHBondContact O-CG 3.47Å; G200-E204 PolarHBondContact O-N 3.39Å; E204-Q208 VanDerWaalsContact O-CB 3.31Å; E204-Q208 WeakPolarHBondContact O-CB 3.25Å; E204-Q208 PolarHBondContact O-OE1 3.36Å
205	S	70.1	Confident	76.9	Confident	54 Å²	54	38 Å²	38	38%	0.378	19%	0.187	S	C	.	.	I	π-helix	trans	-99.3	-26	-175.8	-57.1	0	0	0	0	114.6	M201	M201-S205 WeakPolarHBondContact O-CA 3.43Å; M201-S205 WeakPolarHBondContact O-CB 3.48Å; M201-S205 PolarHBondContact O-N 3.14Å
206	V	73.8	Confident	77.7	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.042	19%	0.187	C	C	.	.	I	π-helix	trans	-109.9	-63.5	-174.6	-177.7	0	0	0	0	110.8	K168 Y171 M201 M202 Q208 K209 F210	K168-V206 HydrophobicContact CG-CG2 4.34Å; Y171-V206 HydrophobicContact CD1-CG1 3.43Å; Y171-V206 VanDerWaalsContact CD1-CG1 3.43Å; Y171-V206 HydrophobicContact CD2-CG1 3.71Å; Y171-V206 HydrophobicContact CE1-CG1 4Å; Y171-V206 HydrophobicContact CE2-CG1 4.22Å; Y171-V206 HydrophobicContact CG-CG1 3.27Å; M201-V206 PolarHBondContact O-N 3.49Å; M202-V206 WeakPolarHBondContact O-CB 3.29Å; M202-V206 HydrophobicContact SD-CG2 4.22Å; V206-Q208 PolarHBondContact O-N 3.16Å; V206-K209 PolarHBondContact O-N 3.34Å; V206-K209 VanDerWaalsContact O-N 3.1Å; V206-F210 HydrophobicContact CG1-CD2 4.16Å; V206-F210 WeakPolarHBondContact O-CD2 3.3Å; V206-F210 PolarHBondContact O-N 3.02Å
207	N	82.9	Confident	78.5	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-63.7	-39.1	-177.8	179.5	-120.1	0	0	0	112.5	Y171 M202 K209 G211 G212 V237 N238 G239	Y171-N207 PolarHBondContact OH-ND2 3.05Å; M202-N207 PolarHBondContact O-N 3.18Å; N207-K209 VanDerWaalsContact C-N 3.3Å; N207-K209 PolarHBondContact O-N 3.18Å; N207-G211 PolarHBondContact ND2-O 3.45Å; N207-G211 VanDerWaalsContact O-CA 3.25Å; N207-G211 WeakPolarHBondContact O-CA 3.37Å; N207-G211 PolarHBondContact O-N 3.16Å; N207-G212 PolarHBondContact ND2-O 3.14Å; N207-V237 PolarHBondContact OD1-N 3.31Å; N207-N238 PolarHBondContact OD1-N 2.82Å; N207-G239 PolarHBondContact OD1-N 3.22Å
208	Q	84.4	Confident	79.4	Confident	86 Å²	86	29.2 Å²	29.2	40%	0.402	15%	0.151	S	C	.	.	H	α-helix	trans	-60.7	-39	173.2	-170	177.4	-1.4	0	0	112.6	V203 E204 V206	V203-Q208 PolarHBondContact O-N 3.26Å; E204-Q208 VanDerWaalsContact O-CB 3.31Å; E204-Q208 WeakPolarHBondContact O-CB 3.25Å; E204-Q208 PolarHBondContact O-OE1 3.36Å; V206-Q208 PolarHBondContact O-N 3.16Å
209	K	82.7	Confident	80.5	Confident	150 Å²	150	28 Å²	28	65%	0.652	14%	0.142	S	C	*	.	H	α-helix	trans	-76	-40.3	-174.2	-177.5	173.4	179.2	177.2	0	112.7	V206 N207	V206-K209 PolarHBondContact O-N 3.34Å; V206-K209 VanDerWaalsContact O-N 3.1Å; N207-K209 VanDerWaalsContact C-N 3.3Å; N207-K209 PolarHBondContact O-N 3.18Å
210	F	79.6	Confident	81.5	Confident	52 Å²	52	27.4 Å²	27.4	23%	0.228	14%	0.138	C	C	.	.	H	α-helix	trans	-103.9	-7.3	-172	-68.1	-68.5	0	0	0	113.3	Y171 A172 S175 V206	Y171-F210 HydrophobicContact CD1-CB 3.77Å; Y171-F210 AromaticContact CD1-CD2 3.93Å; Y171-F210 HydrophobicContact CD1-CD2 3.93Å; Y171-F210 HydrophobicContact CD1-CG 4.11Å; Y171-F210 HydrophobicContact CE1-CB 3.59Å; Y171-F210 HydrophobicContact CE1-CD2 4.46Å; Y171-F210 HydrophobicContact CE1-CG 4.41Å; A172-F210 HydrophobicContact CB-CD1 4.28Å; A172-F210 HydrophobicContact CB-CD2 4.45Å; A172-F210 HydrophobicContact CB-CE1 3.56Å; A172-F210 HydrophobicContact CB-CE2 3.76Å; A172-F210 HydrophobicContact CB-CZ 3.26Å; S175-F210 PolarHBondContact OG-O 3.38Å; V206-F210 HydrophobicContact CG1-CD2 4.16Å; V206-F210 WeakPolarHBondContact O-CD2 3.3Å; V206-F210 PolarHBondContact O-N 3.02Å
211	G	81.2	Confident	82.5	Confident	4 Å²	4	26.7 Å²	26.7	4%	0.041	13%	0.132	C	C	.	.			trans	67.9	-170.7	-176.6	0	0	0	0	0	113	Y171 N207 N238	Y171-G211 PolarHBondContact OH-O 3.03Å; Y171-G211 VanDerWaalsContact OH-O 3.05Å; N207-G211 PolarHBondContact ND2-O 3.45Å; N207-G211 VanDerWaalsContact O-CA 3.25Å; N207-G211 WeakPolarHBondContact O-CA 3.37Å; N207-G211 PolarHBondContact O-N 3.16Å; G211-N238 WeakPolarHBondContact CA-OD1 3.48Å
212	G	81.1	Confident	83.5	Confident	4 Å²	4	25.1 Å²	25.1	4%	0.041	12%	0.124	C	C	.	.	S	Bend	trans	86.7	-176.1	-179.3	0	0	0	0	0	113.6	E180 N207 N238	E180-G212 CarbonylContact O-C 3.55Å; E180-G212 WeakPolarHBondContact O-CA 3.45Å; N207-G212 PolarHBondContact ND2-O 3.14Å; G212-N238 PolarHBondContact N-OD1 2.99Å; G212-N238 PolarHBondContact O-N 3.4Å
213	I	83.9	Confident	84.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.3	179.3	-63.7	143	0	0	0	108.3	E180 I181 F182 I215 I235 A236 V237 L260 F265	E180-I213 PolarHBondContact O-N 2.96Å; I181-I213 CarbonylContact C-O 3.39Å; I181-I213 WeakPolarHBondContact CA-O 3.19Å; I181-I213 HydrophobicContact CD1-CD1 4.27Å; I181-I213 HydrophobicContact CG1-CB 4.31Å; I181-I213 HydrophobicContact CG1-CD1 3.79Å; I181-I213 HydrophobicContact CG2-CG2 4.46Å; F182-I213 WeakPolarHBondContact CB-O 3.29Å; F182-I213 PolarHBondContact N-O 3.48Å; I213-I215 HydrophobicContact CG2-CD1 4.3Å; I213-I215 HydrophobicContact CG2-CG1 3.93Å; I213-I235 HydrophobicContact CG2-CG2 4.25Å; I213-A236 CarbonylContact C-O 3.19Å; I213-A236 WeakPolarHBondContact CA-O 3.15Å; I213-V237 HydrophobicContact CG1-CG1 4.41Å; I213-V237 HydrophobicContact CG1-CG2 4.03Å; I213-V237 HydrophobicContact CG2-CG2 4.49Å; I213-L260 HydrophobicContact CD1-CD1 3.58Å; I213-L260 HydrophobicContact CD1-CD2 4.22Å; I213-L260 HydrophobicContact CD1-CG 4.33Å; I213-L260 HydrophobicContact CG1-CD1 4.19Å; I213-L260 HydrophobicContact CG1-CD2 4.06Å; I213-L260 HydrophobicContact CG2-CD1 4.13Å; I213-L260 HydrophobicContact CG2-CD2 4.19Å; I213-F265 HydrophobicContact CD1-CD1 4.09Å; I213-F265 HydrophobicContact CD1-CE1 3.31Å; I213-F265 HydrophobicContact CD1-CZ 3.72Å
214	Y	85.1	Confident	85.2	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.1	173.7	177.7	-110.5	0	0	0	110.6	F159 Y171 F182 N184 M202 R216 L234 I235 A236	F159-Y214 HydrophobicContact CZ-CD2 4.17Å; F159-Y214 AromaticContact CZ-CE2 3.93Å; F159-Y214 HydrophobicContact CZ-CE2 3.93Å; Y171-Y214 AromaticContact CE2-CD2 3.84Å; Y171-Y214 HydrophobicContact CE2-CD2 3.84Å; Y171-Y214 HydrophobicContact CE2-CG 4.5Å; F182-Y214 HydrophobicContact CB-CD2 4.08Å; F182-Y214 CarbonylContact O-C 3.48Å; F182-Y214 WeakPolarHBondContact O-CA 3.1Å; N184-Y214 HydrophobicContact CB-CE2 3.69Å; N184-Y214 PolarHBondContact ND2-OH 3.4Å; M202-Y214 HydrophobicContact CB-CE1 3.79Å; M202-Y214 HydrophobicContact CE-CD2 4.46Å; M202-Y214 HydrophobicContact CE-CE1 4.42Å; M202-Y214 HydrophobicContact CE-CE2 3.57Å; M202-Y214 WeakPolarHBondContact CE-OH 3.44Å; M202-Y214 HydrophobicContact CG-CE1 4.48Å; Y214-R216 HydrophobicContact CE1-CB 3.84Å; Y214-L234 HydrophobicContact CD1-CD1 3.87Å; Y214-L234 HydrophobicContact CE1-CD1 4.04Å; Y214-I235 CarbonylContact O-C 3.33Å; Y214-I235 WeakPolarHBondContact O-CA 3.42Å; Y214-A236 PolarHBondContact N-O 3.19Å; Y214-A236 PolarHBondContact O-N 2.78Å
215	I	85.4	Confident	86	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.1	178.1	-52.9	175.4	0	0	0	107.5	V3 V5 L36 V38 I181 F182 C183 N184 I213 L234 I235	V3-I215 HydrophobicContact CB-CD1 3.83Å; V3-I215 HydrophobicContact CG1-CD1 3.91Å; V3-I215 HydrophobicContact CG2-CD1 4.09Å; V5-I215 HydrophobicContact CB-CG2 3.86Å; V5-I215 HydrophobicContact CG2-CG2 3.92Å; L36-I215 HydrophobicContact CD2-CD1 4.06Å; V38-I215 HydrophobicContact CB-CG2 3.99Å; V38-I215 HydrophobicContact CG2-CB 4.28Å; V38-I215 HydrophobicContact CG2-CD1 4.3Å; V38-I215 HydrophobicContact CG2-CG2 3.72Å; I181-I215 HydrophobicContact CG2-CD1 3.96Å; F182-I215 PolarHBondContact O-N 3.44Å; C183-I215 CarbonylContact C-O 3.54Å; C183-I215 WeakPolarHBondContact CA-O 3.43Å; N184-I215 PolarHBondContact N-O 3.21Å; I213-I215 HydrophobicContact CG2-CD1 4.3Å; I213-I215 HydrophobicContact CG2-CG1 3.93Å; I215-L234 WeakPolarHBondContact CA-O 3.41Å; I215-I235 HydrophobicContact CG1-CG1 4.42Å; I215-I235 HydrophobicContact CG1-CG2 4.34Å; I215-I235 HydrophobicContact CG2-CG1 4.25Å
216	R	85.5	Confident	87	Confident	6 Å²	6	19.1 Å²	19.1	2%	0.023	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.2	174.1	175.2	176.1	171.5	-112.8	9.3	109.8	V5 N184 T186 H188 Y214 S232 S233 L234	V5-R216 WeakPolarHBondContact CG2-O 3.24Å; N184-R216 CarbonylContact O-C 3.54Å; N184-R216 VanDerWaalsContact O-CA 3.29Å; N184-R216 WeakPolarHBondContact O-CA 3.33Å; T186-R216 HydrophobicContact CG2-CG 4.27Å; H188-R216 PolarHBondContact CD2-NH2 3.16Å; Y214-R216 HydrophobicContact CE1-CB 3.84Å; R216-S232 PolarHBondContact NH1-O 2.93Å; R216-S232 PolarHBondContact NH1-OG 3.32Å; R216-S232 PolarHBondContact NH2-OG 3.33Å; R216-S233 CarbonylContact O-C 3.52Å; R216-S233 WeakPolarHBondContact O-CA 3.39Å; R216-S233 WeakPolarHBondContact O-CB 3.46Å; R216-L234 HydrophobicContact CB-CD1 4.36Å; R216-L234 HydrophobicContact CB-CG 4.2Å; R216-L234 PolarHBondContact N-O 3.21Å; R216-L234 PolarHBondContact O-N 2.96Å
217	A	86.9	Confident	87.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.4	169.7	0	0	0	0	0	109.9	V5 V38 G39 N184 T186 S233	V5-A217 HydrophobicContact CG2-CB 3.63Å; V38-A217 HydrophobicContact CB-CB 4.29Å; V38-A217 HydrophobicContact CG1-CB 3.77Å; G39-A217 VanDerWaalsContact C-CB 3.43Å; G39-A217 WeakPolarHBondContact O-CB 3.32Å; N184-A217 PolarHBondContact O-N 2.91Å; T186-A217 PolarHBondContact N-O 2.99Å; T186-A217 PolarHBondContact OG1-O 3.27Å; A217-S233 WeakPolarHBondContact CA-OG 3.46Å
218	N	89	Confident	88.4	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.2	175	-166	25.7	0	0	0	111.1	T186 V187 H188 D230 S233	T186-N218 WeakPolarHBondContact O-CA 3.44Å; T186-N218 PolarHBondContact O-OD1 2.8Å; T186-N218 PolarHBondContact OG1-OD1 2.98Å; V187-N218 WeakPolarHBondContact CA-OD1 3.48Å; H188-N218 PolarHBondContact N-OD1 3.39Å; H188-N218 PolarHBondContact O-ND2 2.71Å; N218-D230 PolarHBondContact ND2-OD1 3.14Å; N218-S233 PolarHBondContact N-OG 3.32Å
219	Q	91.5	Very high	88.8	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.086	C	C	.	.			trans	-59.6	153.6	170.2	-170.6	170.4	-65.7	0	0	109.5	S40 T186 V187 D223 Y229 G231	S40-Q219 VanDerWaalsContact CB-N 3.28Å; T186-Q219 PolarHBondContact O-N 3.24Å; V187-Q219 HydrophobicContact CG1-CB 3.99Å; Q219-D223 VanDerWaalsContact NE2-CB 3.3Å; Q219-D223 VanDerWaalsContact NE2-CG 3.34Å; Q219-D223 PolarHBondContact NE2-OD2 3.46Å; Q219-Y229 VanDerWaalsContact C-CB 3.47Å; Q219-Y229 HydrophobicContact CB-CD1 4.23Å; Q219-Y229 HydrophobicContact CB-CD2 4.5Å; Q219-Y229 HydrophobicContact CB-CG 3.99Å; Q219-Y229 HydrophobicContact CG-CD2 4.17Å; Q219-Y229 HydrophobicContact CG-CG 4.15Å; Q219-Y229 WeakPolarHBondContact O-CB 3.37Å; Q219-G231 WeakPolarHBondContact O-CA 3.29Å; Q219-G231 PolarHBondContact O-N 3.44Å
220	R	92.8	Very high	89	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156.1	172.7	-175.6	167.6	-61.4	176.4	8.4	110.4	C7 L8 N9 Y229 G231 S245 D246 V254	C7-R220 HydrophobicContact CB-CB 4.2Å; C7-R220 PolarHBondContact SG-NH2 3.5Å; C7-R220 VanDerWaalsContact SG-NH2 3.39Å; L8-R220 PolarHBondContact O-N 3.35Å; N9-R220 VanDerWaalsContact CA-O 3.27Å; N9-R220 WeakPolarHBondContact CA-O 3.27Å; N9-R220 PolarHBondContact OD1-O 3.39Å; R220-Y229 CarbonylContact C-O 3.56Å; R220-Y229 VanDerWaalsContact CA-O 3.24Å; R220-Y229 WeakPolarHBondContact CA-O 3.32Å; R220-G231 PolarHBondContact NH2-O 2.98Å; R220-S245 PolarHBondContact NH2-OG 2.79Å; R220-D246 PolarHBondContact NH1-O 2.83Å; R220-D246 PolarHBondContact NH2-O 3.04Å; R220-V254 VanDerWaalsContact NH1-CB 3.28Å
221	G	94.3	Very high	89.4	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.9	-169.6	166.2	0	0	0	0	0	114.2	N9 Y228 Y229 D296	N9-G221 WeakPolarHBondContact OD1-CA 3.48Å; G221-Y228 CarbonylContact O-C 3.58Å; G221-Y228 WeakPolarHBondContact O-CA 3.23Å; G221-Y229 PolarHBondContact N-O 2.81Å; G221-Y229 WeakPolarHBondContact O-CD2 3.47Å; G221-Y229 PolarHBondContact O-N 3.49Å; G221-D296 WeakPolarHBondContact CA-OD2 3.27Å
222	C	95.3	Very high	89.5	Confident	3 Å²	3	5.7 Å²	5.7	2%	0.02	4%	0.043	C	C	.	.			trans	-107.9	105.8	178.1	174.3	0	0	0	0	110.8	G224 D225 W293 D296 R300	C222-G224 VanDerWaalsContact C-N 3.3Å; C222-G224 PolarHBondContact O-N 2.91Å; C222-D225 PolarHBondContact SG-O 3.22Å; C222-W293 HydrophobicContact CB-CG 4.47Å; C222-W293 VanDerWaalsContact SG-CD1 3.6Å; C222-W293 PolarHBondContact SG-NE1 3.41Å; C222-W293 VanDerWaalsContact SG-NE1 3.41Å; C222-D296 HydrophobicContact CB-CB 3.71Å; C222-D296 PolarHBondContact N-OD2 3.44Å; C222-R300 PolarHBondContact O-NH1 3.03Å
223	D	95.2	Very high	89.8	Confident	1 Å²	1	5.5 Å²	5.5	1%	0.005	4%	0.041	C	C	.	.	S	Bend	trans	-86	11.3	-174.5	72	-4	0	0	0	115.7	Q10 S12 G48 Q219 Y229	Q10-D223 WeakPolarHBondContact O-CB 3.08Å; S12-D223 VanDerWaalsContact CB-O 3.29Å; S12-D223 WeakPolarHBondContact CB-O 3.36Å; S12-D223 PolarHBondContact N-O 3.09Å; S12-D223 PolarHBondContact OG-O 3.27Å; G48-D223 WeakPolarHBondContact CA-OD2 3.44Å; G48-D223 PolarHBondContact N-OD2 2.96Å; Q219-D223 VanDerWaalsContact NE2-CB 3.3Å; Q219-D223 VanDerWaalsContact NE2-CG 3.34Å; Q219-D223 PolarHBondContact NE2-OD2 3.46Å; D223-Y229 HydrophobicContact CB-CE2 4.17Å; D223-Y229 WeakPolarHBondContact OD1-CE2 3.14Å; D223-Y229 VanDerWaalsContact OD2-CE2 3.22Å; D223-Y229 WeakPolarHBondContact OD2-CE2 3.37Å; D223-Y229 PolarHBondContact OD2-OH 3.06Å; D223-Y229 VanDerWaalsContact OD2-OH 3.1Å
224	G	94.1	Very high	90	Very high	49 Å²	49	5.5 Å²	5.5	51%	0.505	4%	0.041	S	C	.	.	S	Bend	trans	132.6	3.6	172.1	0	0	0	0	0	115.9	C222	C222-G224 VanDerWaalsContact C-N 3.3Å; C222-G224 PolarHBondContact O-N 2.91Å
225	D	90.6	Very high	90.1	Very high	25 Å²	25	5.5 Å²	5.5	13%	0.134	4%	0.041	C	C	.	.	S	Bend	trans	-134.5	-160.7	179.7	81.3	-5.2	0	0	0	113.9	C222 V227 W293 R609	C222-D225 PolarHBondContact SG-O 3.22Å; D225-V227 PolarHBondContact O-N 3.45Å; D225-V227 WeakPolarHBondContact OD1-CB 3.13Å; D225-V227 WeakPolarHBondContact OD1-CG2 3.49Å; D225-V227 PolarHBondContact OD1-N 3.34Å; D225-W293 PolarHBondContact O-NE1 3.06Å; D225-W293 VanDerWaalsContact O-NE1 3.13Å; D225-R609 IonicContact OD2-CZ 3.78Å; D225-R609 IonicContact OD2-NH1 2.89Å; D225-R609 PolarHBondContact OD2-NH1 3.41Å
226	S	91.8	Very high	90.3	Very high	13 Å²	13	5.5 Å²	5.5	9%	0.091	4%	0.041	C	C	.	.	S	Bend	trans	-69.3	-7.5	178.7	43	0	0	0	0	114.9	S597 Y598 H599	S226-S597 WeakPolarHBondContact CB-O 3.3Å; S226-Y598 WeakPolarHBondContact O-CA 3.38Å; S226-H599 PolarHBondContact O-N 3.26Å
227	V	92.3	Very high	90.4	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.012	4%	0.042	C	C	.	.			trans	-95.4	154	-176.5	-55.1	0	0	0	0	113	L97 Y189 D225 Y229 H599	L97-V227 HydrophobicContact CD1-CG1 3.25Å; Y189-V227 HydrophobicContact CG-CB 4.48Å; Y189-V227 HydrophobicContact CG-CG1 4.25Å; D225-V227 PolarHBondContact O-N 3.45Å; D225-V227 WeakPolarHBondContact OD1-CB 3.13Å; D225-V227 WeakPolarHBondContact OD1-CG2 3.49Å; D225-V227 PolarHBondContact OD1-N 3.34Å; V227-Y229 HydrophobicContact CG2-CD2 4.21Å; V227-Y229 HydrophobicContact CG2-CE1 4.26Å; V227-Y229 HydrophobicContact CG2-CE2 3.5Å; V227-Y229 VanDerWaalsContact CG2-CE2 3.5Å; V227-H599 HydrophobicContact CG1-CB 4.38Å
228	Y	93.8	Very high	90.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.052	C	C	.	.			trans	-122.3	123.2	165.6	-175.1	-90.5	0	0	0	107.8	H190 G221 F248 A289 C292 W293 Y598	H190-Y228 VanDerWaalsContact CB-O 3.28Å; H190-Y228 WeakPolarHBondContact CB-O 3.47Å; H190-Y228 PolarHBondContact N-O 3.29Å; G221-Y228 CarbonylContact O-C 3.58Å; G221-Y228 WeakPolarHBondContact O-CA 3.23Å; Y228-F248 HydrophobicContact CD1-CD1 4.1Å; Y228-F248 AromaticContact CD1-CE1 3.86Å; Y228-F248 HydrophobicContact CD1-CE1 3.86Å; Y228-F248 AromaticContact CE1-CD1 3.42Å; Y228-F248 HydrophobicContact CE1-CD1 3.42Å; Y228-F248 VanDerWaalsContact CE1-CD1 3.42Å; Y228-F248 AromaticContact CE1-CE1 3.61Å; Y228-F248 HydrophobicContact CE1-CE1 3.61Å; Y228-A289 HydrophobicContact CD1-CB 4.37Å; Y228-C292 HydrophobicContact CD2-CB 4.24Å; Y228-C292 HydrophobicContact CE1-CB 4.37Å; Y228-C292 HydrophobicContact CE2-CB 3.28Å; Y228-C292 VanDerWaalsContact OH-CB 3.25Å; Y228-C292 WeakPolarHBondContact OH-CB 3.45Å; Y228-W293 HydrophobicContact CD2-CB 3.86Å; Y228-W293 HydrophobicContact CG-CB 4.39Å; Y228-Y598 VanDerWaalsContact CB-CE2 3.49Å
229	Y	92.1	Very high	90.1	Very high	13 Å²	13	7.9 Å²	7.9	5%	0.051	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.5	172.7	-53.9	-92.4	0	0	0	109.1	V187 Q219 R220 G221 D223 V227 G231	V187-Y229 HydrophobicContact CB-CD1 4.15Å; V187-Y229 HydrophobicContact CB-CE1 3.78Å; V187-Y229 WeakPolarHBondContact O-CE1 3.27Å; Q219-Y229 VanDerWaalsContact C-CB 3.47Å; Q219-Y229 HydrophobicContact CB-CD1 4.23Å; Q219-Y229 HydrophobicContact CB-CD2 4.5Å; Q219-Y229 HydrophobicContact CB-CG 3.99Å; Q219-Y229 HydrophobicContact CG-CD2 4.17Å; Q219-Y229 HydrophobicContact CG-CG 4.15Å; Q219-Y229 WeakPolarHBondContact O-CB 3.37Å; R220-Y229 CarbonylContact C-O 3.56Å; R220-Y229 VanDerWaalsContact CA-O 3.24Å; R220-Y229 WeakPolarHBondContact CA-O 3.32Å; G221-Y229 PolarHBondContact N-O 2.81Å; G221-Y229 WeakPolarHBondContact O-CD2 3.47Å; G221-Y229 PolarHBondContact O-N 3.49Å; D223-Y229 HydrophobicContact CB-CE2 4.17Å; D223-Y229 WeakPolarHBondContact OD1-CE2 3.14Å; D223-Y229 VanDerWaalsContact OD2-CE2 3.22Å; D223-Y229 WeakPolarHBondContact OD2-CE2 3.37Å; D223-Y229 PolarHBondContact OD2-OH 3.06Å; D223-Y229 VanDerWaalsContact OD2-OH 3.1Å; V227-Y229 HydrophobicContact CG2-CD2 4.21Å; V227-Y229 HydrophobicContact CG2-CE1 4.26Å; V227-Y229 HydrophobicContact CG2-CE2 3.5Å; V227-Y229 VanDerWaalsContact CG2-CE2 3.5Å; Y229-G231 PolarHBondContact O-N 2.9Å
230	D	87.8	Confident	89.8	Confident	2 Å²	2	10.3 Å²	10.3	1%	0.011	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-2.2	-170.5	75.2	-5.1	0	0	0	113.6	H190 P195 N218 S232 S247 F248 W285	H190-D230 HydrophobicContact CB-CB 4.21Å; P195-D230 WeakPolarHBondContact CB-OD2 3.44Å; P195-D230 WeakPolarHBondContact CG-OD2 3.47Å; N218-D230 PolarHBondContact ND2-OD1 3.14Å; D230-S232 PolarHBondContact O-N 3.08Å; D230-S232 VanDerWaalsContact OD1-CB 3.27Å; D230-S232 WeakPolarHBondContact OD1-CB 3.46Å; D230-S232 PolarHBondContact OD1-N 2.84Å; D230-S232 PolarHBondContact OD1-OG 3.04Å; D230-S232 WeakPolarHBondContact OD2-CB 3.06Å; D230-S232 PolarHBondContact OD2-OG 2.93Å; D230-S247 CarbonylContact C-O 3.49Å; D230-S247 CarbonylContact O-C 3.56Å; D230-S247 WeakPolarHBondContact O-CA 3.16Å; D230-S247 WeakPolarHBondContact O-CB 3.34Å; D230-F248 HydrophobicContact CB-CE1 4.36Å; D230-W285 HydrophobicContact CB-CZ3 4.19Å
231	G	87.1	Confident	89.4	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.089	C	C	.	.			trans	44.9	36.6	-176.6	0	0	0	0	0	114.5	C7 Q219 R220 Y229 S233 S245	C7-G231 PolarHBondContact SG-O 2.67Å; Q219-G231 WeakPolarHBondContact O-CA 3.29Å; Q219-G231 PolarHBondContact O-N 3.44Å; R220-G231 PolarHBondContact NH2-O 2.98Å; Y229-G231 PolarHBondContact O-N 2.9Å; G231-S233 PolarHBondContact O-N 3.15Å; G231-S245 PolarHBondContact O-OG 3.14Å
232	S	83	Confident	89	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.007	11%	0.107	C	C	.	.			trans	-71.5	49.2	-180	52.6	0	0	0	0	112.9	R216 D230	R216-S232 PolarHBondContact NH1-O 2.93Å; R216-S232 PolarHBondContact NH1-OG 3.32Å; R216-S232 PolarHBondContact NH2-OG 3.33Å; D230-S232 PolarHBondContact O-N 3.08Å; D230-S232 VanDerWaalsContact OD1-CB 3.27Å; D230-S232 WeakPolarHBondContact OD1-CB 3.46Å; D230-S232 PolarHBondContact OD1-N 2.84Å; D230-S232 PolarHBondContact OD1-OG 3.04Å; D230-S232 WeakPolarHBondContact OD2-CB 3.06Å; D230-S232 PolarHBondContact OD2-OG 2.93Å
233	S	87.5	Confident	88.6	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.112	C	C	.	.			trans	-70.4	146.1	178.7	-59.6	0	0	0	0	111.6	C7 R216 A217 N218 G231 C244 S245	C7-S233 WeakPolarHBondContact SG-CB 3.31Å; C7-S233 PolarHBondContact SG-OG 2.73Å; R216-S233 CarbonylContact O-C 3.52Å; R216-S233 WeakPolarHBondContact O-CA 3.39Å; R216-S233 WeakPolarHBondContact O-CB 3.46Å; A217-S233 WeakPolarHBondContact CA-OG 3.46Å; N218-S233 PolarHBondContact N-OG 3.32Å; G231-S233 PolarHBondContact O-N 3.15Å; S233-C244 WeakPolarHBondContact O-CA 3.19Å; S233-S245 WeakPolarHBondContact CB-OG 3.35Å; S233-S245 PolarHBondContact N-OG 3.2Å; S233-S245 VanDerWaalsContact N-OG 3.08Å; S233-S245 PolarHBondContact O-N 2.72Å; S233-S245 PolarHBondContact O-OG 3.46Å; S233-S245 VanDerWaalsContact O-OG 3.08Å
234	L	88.9	Confident	88.2	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	164.4	-176.9	63.3	82.5	0	0	0	113.1	V199 V203 Y214 I215 R216 A236 L241 A243 C244	V199-L234 HydrophobicContact CB-CD2 4Å; V199-L234 HydrophobicContact CG1-CD2 3.32Å; V199-L234 HydrophobicContact CG2-CD2 3.59Å; V203-L234 HydrophobicContact CG2-CD1 4.1Å; V203-L234 HydrophobicContact CG2-CD2 4.34Å; Y214-L234 HydrophobicContact CD1-CD1 3.87Å; Y214-L234 HydrophobicContact CE1-CD1 4.04Å; I215-L234 WeakPolarHBondContact CA-O 3.41Å; R216-L234 HydrophobicContact CB-CD1 4.36Å; R216-L234 HydrophobicContact CB-CG 4.2Å; R216-L234 PolarHBondContact N-O 3.21Å; R216-L234 PolarHBondContact O-N 2.96Å; L234-A236 HydrophobicContact CD1-CB 4.19Å; L234-L241 HydrophobicContact CB-CD1 3.69Å; L234-L241 HydrophobicContact CD1-CD1 4.21Å; L234-L241 HydrophobicContact CD2-CD1 4.1Å; L234-L241 HydrophobicContact CG-CD1 4.22Å; L234-A243 CarbonylContact C-O 3.57Å; L234-A243 VanDerWaalsContact CA-O 3.26Å; L234-A243 WeakPolarHBondContact CA-O 3.41Å; L234-A243 WeakPolarHBondContact CB-O 3.34Å; L234-C244 HydrophobicContact CB-CB 4.48Å
235	I	88.3	Confident	87.8	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.5	169.9	-56.5	161	0	0	0	106.5	V3 V5 I213 Y214 I215 V242 A243	V3-I235 HydrophobicContact CG2-CD1 3.89Å; V3-I235 HydrophobicContact CG2-CG2 4.23Å; V5-I235 HydrophobicContact CG1-CD1 4.2Å; V5-I235 HydrophobicContact CG1-CG1 4.09Å; I213-I235 HydrophobicContact CG2-CG2 4.25Å; Y214-I235 CarbonylContact O-C 3.33Å; Y214-I235 WeakPolarHBondContact O-CA 3.42Å; I215-I235 HydrophobicContact CG1-CG1 4.42Å; I215-I235 HydrophobicContact CG1-CG2 4.34Å; I215-I235 HydrophobicContact CG2-CG1 4.25Å; I235-V242 HydrophobicContact CB-CG2 3.8Å; I235-V242 HydrophobicContact CG2-CG2 3.47Å; I235-V242 VanDerWaalsContact CG2-CG2 3.47Å; I235-V242 VanDerWaalsContact O-CG2 3.23Å; I235-V242 WeakPolarHBondContact O-CG2 3.39Å; I235-V242 PolarHBondContact O-N 2.76Å; I235-A243 HydrophobicContact CB-CB 4.26Å; I235-A243 HydrophobicContact CD1-CB 4.17Å; I235-A243 PolarHBondContact N-O 3.21Å; I235-A243 PolarHBondContact O-N 2.94Å; I235-A243 VanDerWaalsContact O-N 3.13Å
236	A	87.9	Confident	87.4	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.9	175	0	0	0	0	0	110.6	V203 I213 Y214 L234 S240	V203-A236 HydrophobicContact CB-CB 4.46Å; V203-A236 HydrophobicContact CG1-CB 3.98Å; V203-A236 HydrophobicContact CG2-CB 3.8Å; I213-A236 CarbonylContact C-O 3.19Å; I213-A236 WeakPolarHBondContact CA-O 3.15Å; Y214-A236 PolarHBondContact N-O 3.19Å; Y214-A236 PolarHBondContact O-N 2.78Å; L234-A236 HydrophobicContact CD1-CB 4.19Å; A236-S240 CarbonylContact C-O 3.59Å; A236-S240 WeakPolarHBondContact CA-O 3.36Å
237	V	88.2	Confident	86.9	Confident	9 Å²	9	21.1 Å²	21.1	6%	0.055	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	116.9	-177.4	-178.2	0	0	0	0	108	N207 I213 G239 S240 V242 L260 E264	N207-V237 PolarHBondContact OD1-N 3.31Å; I213-V237 HydrophobicContact CG1-CG1 4.41Å; I213-V237 HydrophobicContact CG1-CG2 4.03Å; I213-V237 HydrophobicContact CG2-CG2 4.49Å; V237-G239 PolarHBondContact O-N 3.08Å; V237-G239 VanDerWaalsContact O-N 3.13Å; V237-S240 PolarHBondContact N-O 3.27Å; V237-S240 WeakPolarHBondContact O-CB 3.23Å; V237-S240 PolarHBondContact O-N 3.37Å; V237-V242 HydrophobicContact CB-CG1 4.08Å; V237-V242 HydrophobicContact CG2-CG1 3.84Å; V237-V242 HydrophobicContact CG2-CG2 3.9Å; V237-L260 HydrophobicContact CG2-CD2 3.91Å; V237-E264 HydrophobicContact CG1-CB 3.73Å; V237-E264 HydrophobicContact CG1-CG 4.25Å
238	N	85.1	Confident	86.5	Confident	39 Å²	39	22.5 Å²	22.5	21%	0.209	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	42.1	-178.8	-54.7	-29.4	0	0	0	114.1	N207 G211 G212 S240 E264	N207-N238 PolarHBondContact OD1-N 2.82Å; G211-N238 WeakPolarHBondContact CA-OD1 3.48Å; G212-N238 PolarHBondContact N-OD1 2.99Å; G212-N238 PolarHBondContact O-N 3.4Å; N238-S240 VanDerWaalsContact C-N 3.33Å; N238-S240 PolarHBondContact O-N 2.9Å; N238-E264 PolarHBondContact ND2-O 2.98Å
239	G	83.9	Confident	86.1	Confident	9 Å²	9	23.6 Å²	23.6	9%	0.093	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-3.6	-179.4	0	0	0	0	0	115.4	V203 N207 V237	V203-G239 VanDerWaalsContact CG1-O 3.26Å; V203-G239 WeakPolarHBondContact CG1-O 3.39Å; N207-G239 PolarHBondContact OD1-N 3.22Å; V237-G239 PolarHBondContact O-N 3.08Å; V237-G239 VanDerWaalsContact O-N 3.13Å
240	S	85.3	Confident	86	Confident	50 Å²	50	24.3 Å²	24.3	35%	0.35	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.2	175.3	-60.8	0	0	0	0	110.6	A236 V237 N238 V242	A236-S240 CarbonylContact C-O 3.59Å; A236-S240 WeakPolarHBondContact CA-O 3.36Å; V237-S240 PolarHBondContact N-O 3.27Å; V237-S240 WeakPolarHBondContact O-CB 3.23Å; V237-S240 PolarHBondContact O-N 3.37Å; N238-S240 VanDerWaalsContact C-N 3.33Å; N238-S240 PolarHBondContact O-N 2.9Å; S240-V242 PolarHBondContact O-N 2.77Å
241	L	84.1	Confident	86	Confident	64 Å²	64	26.8 Å²	26.8	34%	0.335	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.3	172	-177.2	70.3	0	0	0	109.4	L234 C244	L234-L241 HydrophobicContact CB-CD1 3.69Å; L234-L241 HydrophobicContact CD1-CD1 4.21Å; L234-L241 HydrophobicContact CD2-CD1 4.1Å; L234-L241 HydrophobicContact CG-CD1 4.22Å; L241-C244 HydrophobicContact CD1-CB 4.48Å; L241-C244 HydrophobicContact CD2-CB 4.27Å
242	V	86.9	Confident	86.3	Confident	61 Å²	61	29.1 Å²	29.1	37%	0.37	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-24.7	-178.8	-60.9	0	0	0	0	112.8	I235 V237 S240	I235-V242 HydrophobicContact CB-CG2 3.8Å; I235-V242 HydrophobicContact CG2-CG2 3.47Å; I235-V242 VanDerWaalsContact CG2-CG2 3.47Å; I235-V242 VanDerWaalsContact O-CG2 3.23Å; I235-V242 WeakPolarHBondContact O-CG2 3.39Å; I235-V242 PolarHBondContact O-N 2.76Å; V237-V242 HydrophobicContact CB-CG1 4.08Å; V237-V242 HydrophobicContact CG2-CG1 3.84Å; V237-V242 HydrophobicContact CG2-CG2 3.9Å; S240-V242 PolarHBondContact O-N 2.77Å
243	A	87.3	Confident	86.6	Confident	15 Å²	15	29.5 Å²	29.5	12%	0.124	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	147.2	174.6	0	0	0	0	0	111.4	L234 I235 T256	L234-A243 CarbonylContact C-O 3.57Å; L234-A243 VanDerWaalsContact CA-O 3.26Å; L234-A243 WeakPolarHBondContact CA-O 3.41Å; L234-A243 WeakPolarHBondContact CB-O 3.34Å; I235-A243 HydrophobicContact CB-CB 4.26Å; I235-A243 HydrophobicContact CD1-CB 4.17Å; I235-A243 PolarHBondContact N-O 3.21Å; I235-A243 PolarHBondContact O-N 2.94Å; I235-A243 VanDerWaalsContact O-N 3.13Å; A243-T256 HydrophobicContact CB-CG2 3.38Å
244	C	86.7	Confident	86.4	Confident	45 Å²	45	30.5 Å²	30.5	30%	0.304	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.2	174.8	-170.9	0	0	0	0	109	S233 L234 L241	S233-C244 WeakPolarHBondContact O-CA 3.19Å; L234-C244 HydrophobicContact CB-CB 4.48Å; L241-C244 HydrophobicContact CD1-CB 4.48Å; L241-C244 HydrophobicContact CD2-CB 4.27Å
245	S	85.4	Confident	86.3	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.028	20%	0.196	C	C	.	.			trans	-85.9	150.1	171.7	59	0	0	0	0	111.5	C7 R220 G231 S233 S247 T256	C7-S245 VanDerWaalsContact SG-CB 3.59Å; C7-S245 PolarHBondContact SG-OG 2.74Å; R220-S245 PolarHBondContact NH2-OG 2.79Å; G231-S245 PolarHBondContact O-OG 3.14Å; S233-S245 WeakPolarHBondContact CB-OG 3.35Å; S233-S245 PolarHBondContact N-OG 3.2Å; S233-S245 VanDerWaalsContact N-OG 3.08Å; S233-S245 PolarHBondContact O-N 2.72Å; S233-S245 PolarHBondContact O-OG 3.46Å; S233-S245 VanDerWaalsContact O-OG 3.08Å; S245-S247 PolarHBondContact O-N 3.42Å; S245-T256 VanDerWaalsContact CA-OG1 3.28Å; S245-T256 WeakPolarHBondContact CA-OG1 3.3Å; S245-T256 VanDerWaalsContact CB-OG1 3.31Å; S245-T256 WeakPolarHBondContact CB-OG1 3.45Å; S245-T256 PolarHBondContact N-OG1 3.14Å
246	D	81.8	Confident	86	Confident	115 Å²	115	35.3 Å²	35.3	62%	0.615	20%	0.202	S	C	*	.			trans	-58.9	124.7	172.3	-63.6	-31	0	0	0	110.9	R220 F248	R220-D246 PolarHBondContact NH1-O 2.83Å; R220-D246 PolarHBondContact NH2-O 3.04Å; D246-F248 PolarHBondContact O-N 3.43Å
247	S	80.6	Confident	85.9	Confident	14 Å²	14	37 Å²	37	10%	0.098	21%	0.211	C	C	.	.	S	Bend	trans	-65.2	-40.7	-175.5	-59.2	0	0	0	0	113.8	D230 S245 W285	D230-S247 CarbonylContact C-O 3.49Å; D230-S247 CarbonylContact O-C 3.56Å; D230-S247 WeakPolarHBondContact O-CA 3.16Å; D230-S247 WeakPolarHBondContact O-CB 3.34Å; S245-S247 PolarHBondContact O-N 3.42Å; S247-W285 WeakPolarHBondContact OG-CH2 3.45Å
248	F	84.5	Confident	85.6	Confident	32 Å²	32	37.6 Å²	37.6	14%	0.14	22%	0.215	C	C	.	.	S	Bend	trans	-115.3	120.6	-176.1	-54.3	-68.2	0	0	0	110.6	H190 Y228 D230 D246 W285 F288 A289	H190-F248 AromaticContact CD2-CZ 3.99Å; Y228-F248 HydrophobicContact CD1-CD1 4.1Å; Y228-F248 AromaticContact CD1-CE1 3.86Å; Y228-F248 HydrophobicContact CD1-CE1 3.86Å; Y228-F248 AromaticContact CE1-CD1 3.42Å; Y228-F248 HydrophobicContact CE1-CD1 3.42Å; Y228-F248 VanDerWaalsContact CE1-CD1 3.42Å; Y228-F248 AromaticContact CE1-CE1 3.61Å; Y228-F248 HydrophobicContact CE1-CE1 3.61Å; D230-F248 HydrophobicContact CB-CE1 4.36Å; D246-F248 PolarHBondContact O-N 3.43Å; F248-W285 HydrophobicContact CE2-CB 4.21Å; F248-W285 AromaticContact CE2-CD2 3.6Å; F248-W285 HydrophobicContact CE2-CD2 3.6Å; F248-W285 AromaticContact CE2-CE3 3.37Å; F248-W285 HydrophobicContact CE2-CE3 3.37Å; F248-W285 HydrophobicContact CE2-CG 4.03Å; F248-W285 HydrophobicContact CE2-CH2 4.38Å; F248-W285 AromaticContact CE2-CZ3 3.8Å; F248-W285 HydrophobicContact CE2-CZ3 3.8Å; F248-W285 HydrophobicContact CZ-CB 4.37Å; F248-W285 AromaticContact CZ-CD2 3.95Å; F248-W285 HydrophobicContact CZ-CD2 3.95Å; F248-W285 AromaticContact CZ-CE3 3.29Å; F248-W285 HydrophobicContact CZ-CE3 3.29Å; F248-W285 HydrophobicContact CZ-CG 4.45Å; F248-W285 AromaticContact CZ-CZ3 3.73Å; F248-W285 HydrophobicContact CZ-CZ3 3.73Å; F248-F288 HydrophobicContact CB-CB 3.62Å; F248-F288 HydrophobicContact CD1-CB 4.46Å; F248-F288 HydrophobicContact CD2-CB 3.7Å; F248-F288 HydrophobicContact CG-CB 3.65Å; F248-A289 HydrophobicContact CD1-CB 3.89Å; F248-A289 VanDerWaalsContact CE1-CA 3.48Å; F248-A289 HydrophobicContact CE1-CB 3.22Å; F248-A289 HydrophobicContact CZ-CB 3.61Å
249	S	85.4	Confident	85.4	Confident	23 Å²	23	40.8 Å²	40.8	16%	0.161	23%	0.232	C	C	.	.			trans	-154.4	147.3	178.1	-179.2	0	0	0	0	110	S251	S249-S251 PolarHBondContact O-N 3.15Å; S249-S251 WeakPolarHBondContact OG-CB 3.29Å; S249-S251 PolarHBondContact OG-N 3.44Å; S249-S251 PolarHBondContact OG-OG 3.39Å
250	L	89.4	Confident	85	Confident	28 Å²	28	40.6 Å²	40.6	15%	0.147	23%	0.228	C	C	.	.	S	Bend	trans	-81.6	2.2	172	-50.8	-174.2	0	0	0	112.8	W295 L329 L330 A333	L250-W295 HydrophobicContact CD2-CB 4.08Å; L250-W295 HydrophobicContact CD2-CG 3.91Å; L250-L329 HydrophobicContact CD1-CB 3.77Å; L250-L329 HydrophobicContact CD2-CB 4.29Å; L250-L329 HydrophobicContact CD2-CD1 4.15Å; L250-L329 HydrophobicContact CG-CB 4.08Å; L250-L330 HydrophobicContact CD1-CB 4.46Å; L250-L330 HydrophobicContact CD1-CD2 3.64Å; L250-L330 HydrophobicContact CD1-CG 3.9Å; L250-A333 HydrophobicContact CD1-CB 4.26Å
251	S	89.4	Confident	84	Confident	53 Å²	53	44.2 Å²	44.2	37%	0.371	24%	0.24	S	C	.	.			trans	-79	133.6	179.5	-56.6	0	0	0	0	111.2	S249 V253	S249-S251 PolarHBondContact O-N 3.15Å; S249-S251 WeakPolarHBondContact OG-CB 3.29Å; S249-S251 PolarHBondContact OG-N 3.44Å; S249-S251 PolarHBondContact OG-OG 3.39Å; S251-V253 VanDerWaalsContact C-N 3.28Å; S251-V253 PolarHBondContact O-N 3.04Å
252	E	91.7	Very high	82.5	Confident	50 Å²	50	50 Å²	50	23%	0.234	26%	0.262	C	S	.	.	S	Bend	trans	-65.7	-30.1	176.6	-65	-65.3	100	0	0	113	N9 R21 R299	N9-E252 PolarHBondContact N-O 3.06Å; R21-E252 HydrophobicContact CG-CB 4.31Å; R21-E252 IonicContact CZ-OE2 3.47Å; R21-E252 IonicContact NE-OE2 3.94Å; R21-E252 PolarHBondContact NE-OE2 3.49Å; R21-E252 IonicContact NH2-OE2 3.34Å; R21-E252 PolarHBondContact NH2-OE2 2.99Å; E252-R299 IonicContact OE1-CZ 2.95Å; E252-R299 IonicContact OE1-NE 2.65Å; E252-R299 IonicContact OE1-NH1 2.77Å; E252-R299 PolarHBondContact OE1-NH1 3.17Å; E252-R299 IonicContact OE1-NH2 3.28Å; E252-R299 PolarHBondContact OE1-NH2 2.98Å; E252-R299 IonicContact OE2-CZ 3.67Å; E252-R299 IonicContact OE2-NH1 3.42Å; E252-R299 PolarHBondContact OE2-NH1 3.45Å; E252-R299 IonicContact OE2-NH2 2.78Å
253	V	89.5	Confident	81	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	112.6	-177.7	179.5	0	0	0	0	109.9	L8 R21 Q24 K28 S251	L8-V253 HydrophobicContact CD2-CB 4.3Å; L8-V253 HydrophobicContact CD2-CG1 3.88Å; L8-V253 HydrophobicContact CD2-CG2 4.02Å; R21-V253 HydrophobicContact CB-CG2 3.95Å; R21-V253 HydrophobicContact CG-CG2 4.17Å; Q24-V253 HydrophobicContact CB-CG2 4.34Å; Q24-V253 VanDerWaalsContact OE1-CB 3.24Å; K28-V253 HydrophobicContact CD-CG1 4.16Å; K28-V253 PolarHBondContact NZ-O 2.94Å; S251-V253 VanDerWaalsContact C-N 3.28Å; S251-V253 PolarHBondContact O-N 3.04Å
254	V	83.2	Confident	79.5	Confident	21 Å²	21	51.3 Å²	51.3	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.1	171.9	175.8	0	0	0	0	110	S6 C7 R220	S6-V254 WeakPolarHBondContact CA-O 3.24Å; C7-V254 HydrophobicContact CB-CB 4.47Å; C7-V254 PolarHBondContact N-O 3.15Å; C7-V254 PolarHBondContact O-N 3.17Å; R220-V254 VanDerWaalsContact NH1-CB 3.28Å
255	R	86.8	Confident	77.9	Confident	82 Å²	82	51 Å²	51	31%	0.309	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.9	-175.9	-176.6	-170.2	91.2	-15.7	1.5	109.3	S4 D257	S4-R255 WeakPolarHBondContact OG-CD 3.46Å; S4-R255 WeakPolarHBondContact OG-CG 3.32Å; R255-D257 WeakPolarHBondContact CD-OD1 3.29Å; R255-D257 VanDerWaalsContact CG-OD1 3.31Å; R255-D257 WeakPolarHBondContact CG-OD1 3.37Å; R255-D257 IonicContact CZ-OD1 3.09Å; R255-D257 IonicContact CZ-OD2 3.55Å; R255-D257 IonicContact NE-OD1 3.03Å; R255-D257 PolarHBondContact NE-OD1 3.28Å; R255-D257 IonicContact NE-OD2 3.99Å; R255-D257 PolarHBondContact NE-OD2 3.07Å; R255-D257 IonicContact NH1-OD1 3.11Å; R255-D257 IonicContact NH1-OD2 2.9Å; R255-D257 PolarHBondContact NH1-OD2 3.02Å; R255-D257 IonicContact NH2-OD1 3.07Å; R255-D257 IonicContact NH2-OD2 3.18Å; R255-D257 PolarHBondContact NH2-OD2 2.7Å
256	T	83.9	Confident	76.3	Confident	19 Å²	19	57.6 Å²	57.6	12%	0.117	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.5	170.6	-62.5	0	0	0	0	108.9	S4 V5 A243 S245	S4-T256 WeakPolarHBondContact CA-O 2.91Å; V5-T256 HydrophobicContact CG1-CG2 4.46Å; V5-T256 PolarHBondContact N-O 3.19Å; V5-T256 PolarHBondContact O-N 2.92Å; A243-T256 HydrophobicContact CB-CG2 3.38Å; S245-T256 VanDerWaalsContact CA-OG1 3.28Å; S245-T256 WeakPolarHBondContact CA-OG1 3.3Å; S245-T256 VanDerWaalsContact CB-OG1 3.31Å; S245-T256 WeakPolarHBondContact CB-OG1 3.45Å; S245-T256 PolarHBondContact N-OG1 3.14Å
257	D	84.3	Confident	74.6	Confident	37 Å²	37	57.1 Å²	57.1	20%	0.198	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	-178.5	-65.5	-10.4	0	0	0	110	I2 V3 S4 A32 R255	I2-D257 HydrophobicContact CG2-CB 4.34Å; V3-D257 WeakPolarHBondContact O-CA 3.4Å; S4-D257 WeakPolarHBondContact CB-OD1 3.4Å; S4-D257 PolarHBondContact OG-OD1 3.04Å; A32-D257 WeakPolarHBondContact CB-OD2 3.48Å; R255-D257 WeakPolarHBondContact CD-OD1 3.29Å; R255-D257 VanDerWaalsContact CG-OD1 3.31Å; R255-D257 WeakPolarHBondContact CG-OD1 3.37Å; R255-D257 IonicContact CZ-OD1 3.09Å; R255-D257 IonicContact CZ-OD2 3.55Å; R255-D257 IonicContact NE-OD1 3.03Å; R255-D257 PolarHBondContact NE-OD1 3.28Å; R255-D257 IonicContact NE-OD2 3.99Å; R255-D257 PolarHBondContact NE-OD2 3.07Å; R255-D257 IonicContact NH1-OD1 3.11Å; R255-D257 IonicContact NH1-OD2 2.9Å; R255-D257 PolarHBondContact NH1-OD2 3.02Å; R255-D257 IonicContact NH2-OD1 3.07Å; R255-D257 IonicContact NH2-OD2 3.18Å; R255-D257 PolarHBondContact NH2-OD2 2.7Å
258	S	83.4	Confident	72.5	Confident	20 Å²	20	63 Å²	63	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.8	166.5	-172.7	0	0	0	0	111	I2 V3	I2-S258 WeakPolarHBondContact CA-O 3.42Å; V3-S258 PolarHBondContact N-O 2.75Å; V3-S258 PolarHBondContact O-N 3.46Å
259	L	80.5	Confident	70.2	Confident	107 Å²	107	68.4 Å²	68.4	56%	0.56	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.7	171.1	176	66.5	0	0	0	108.8	I2	I2-L259 HydrophobicContact CD1-CD1 4.47Å; I2-L259 HydrophobicContact CG1-CB 4.49Å; I2-L259 HydrophobicContact CG1-CD1 3.68Å
260	L	74.1	Confident	67.4	Low	4 Å²	4	73.2 Å²	73.2	2%	0.021	38%	0.382	C	S	.	.			trans	-87.6	131.6	176.8	-54	168.5	0	0	0	110.7	M1 V3 I213 V237 E264	M1-L260 PolarHBondContact N-O 3.28Å; M1-L260 WeakPolarHBondContact O-CB 3.25Å; M1-L260 PolarHBondContact O-N 3.14Å; V3-L260 HydrophobicContact CB-CD1 4.19Å; V3-L260 HydrophobicContact CG1-CD1 3.44Å; V3-L260 VanDerWaalsContact CG1-CD1 3.44Å; V3-L260 HydrophobicContact CG1-CG 4.45Å; V3-L260 HydrophobicContact CG2-CD1 3.64Å; V3-L260 HydrophobicContact CG2-CD2 4.27Å; V3-L260 HydrophobicContact CG2-CG 3.89Å; I213-L260 HydrophobicContact CD1-CD1 3.58Å; I213-L260 HydrophobicContact CD1-CD2 4.22Å; I213-L260 HydrophobicContact CD1-CG 4.33Å; I213-L260 HydrophobicContact CG1-CD1 4.19Å; I213-L260 HydrophobicContact CG1-CD2 4.06Å; I213-L260 HydrophobicContact CG2-CD1 4.13Å; I213-L260 HydrophobicContact CG2-CD2 4.19Å; V237-L260 HydrophobicContact CG2-CD2 3.91Å; L260-E264 WeakPolarHBondContact CA-OE2 3.46Å
261	Q	65.8	Low	64.7	Low	126 Å²	126	78.8 Å²	78.8	59%	0.589	41%	0.406	S	S	*	.			trans	-104.8	153.1	-178.5	-63.5	-167.3	15.3	0	0	112.6	G263 E264	Q261-G263 PolarHBondContact O-N 3.28Å; Q261-E264 PolarHBondContact N-OE2 3.41Å; Q261-E264 PolarHBondContact O-N 3.1Å
262	K	53	Low	61.6	Low	186 Å²	186	84 Å²	84	81%	0.809	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	115	179.3	-161.1	-178.4	-176.9	-174.5	0	108.9	M152	M152-K262 HydrophobicContact SD-CB 4.14Å; M152-K262 HydrophobicContact SD-CG 4.33Å
263	G	54.2	Low	58.5	Low	44 Å²	44	88.6 Å²	88.6	45%	0.454	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	130.8	-17.9	-175.4	0	0	0	0	0	113.2	Q261 F265	Q261-G263 PolarHBondContact O-N 3.28Å; G263-F265 PolarHBondContact O-N 3.37Å; G263-F265 VanDerWaalsContact O-N 3.14Å
264	E	56.1	Low	55.5	Low	59 Å²	59	94.7 Å²	94.7	28%	0.276	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	6.1	178.3	-68.9	177.7	160.6	0	0	114.1	V237 N238 L260 Q261	V237-E264 HydrophobicContact CG1-CB 3.73Å; V237-E264 HydrophobicContact CG1-CG 4.25Å; N238-E264 PolarHBondContact ND2-O 2.98Å; L260-E264 WeakPolarHBondContact CA-OE2 3.46Å; Q261-E264 PolarHBondContact N-OE2 3.41Å; Q261-E264 PolarHBondContact O-N 3.1Å
265	F	53.5	Low	52.8	Low	39 Å²	39	100.6 Å²	100.6	17%	0.171	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-15.6	-167.3	-62.7	-87.1	0	0	0	114.4	M152 E180 I213 G263	M152-F265 HydrophobicContact SD-CE2 4.25Å; M152-F265 HydrophobicContact SD-CZ 4.49Å; E180-F265 HydrophobicContact CB-CD1 3.78Å; E180-F265 HydrophobicContact CB-CE1 4.09Å; E180-F265 HydrophobicContact CG-CD1 3.89Å; I213-F265 HydrophobicContact CD1-CD1 4.09Å; I213-F265 HydrophobicContact CD1-CE1 3.31Å; I213-F265 HydrophobicContact CD1-CZ 3.72Å; G263-F265 PolarHBondContact O-N 3.37Å; G263-F265 VanDerWaalsContact O-N 3.14Å
266	H	51.7	Low	50.1	Low	142 Å²	142	101.6 Å²	101.6	66%	0.657	53%	0.529	S	S	*	.	S	Bend	trans	-126.1	143.5	177.6	-77.5	-59.3	0	0	0	110.4	D268	H266-D268 PolarHBondContact O-N 3.04Å
267	N	46.8	Very low	47.8	Very low	106 Å²	106	109.3 Å²	109.3	57%	0.567	56%	0.563	S	S	*	*	S	Bend	trans	-66.9	32.6	-171.6	-85.1	-14.9	0	0	0	115.8	F269	N267-F269 VanDerWaalsContact C-N 3.34Å; N267-F269 PolarHBondContact O-N 3.46Å
268	D	35.6	Very low	45.8	Very low	138 Å²	138	116.1 Å²	116.1	74%	0.738	59%	0.587	S	S	*	*			trans	-93.7	41.7	-178.5	-77.9	-17.6	0	0	0	113	H266	H266-D268 PolarHBondContact O-N 3.04Å
269	F	36.3	Very low	44	Very low	144 Å²	144	118.1 Å²	118.1	63%	0.632	60%	0.599	S	S	*	*			trans	-147.1	118.9	170.1	-70.3	-77.6	0	0	0	113.4	N267 F271	N267-F269 VanDerWaalsContact C-N 3.34Å; N267-F269 PolarHBondContact O-N 3.46Å; F269-F271 HydrophobicContact CB-CD2 3.52Å; F269-F271 HydrophobicContact CB-CE2 3.41Å; F269-F271 VanDerWaalsContact CB-CE2 3.41Å; F269-F271 HydrophobicContact CD1-CE2 4.3Å; F269-F271 HydrophobicContact CD2-CE2 4.45Å; F269-F271 HydrophobicContact CG-CD2 4.39Å; F269-F271 AromaticContact CG-CE2 3.79Å; F269-F271 HydrophobicContact CG-CE2 3.79Å; F269-F271 PolarHBondContact O-N 3.07Å
270	S	26.8	Very low	42.7	Very low	124 Å²	124	114.7 Å²	114.7	87%	0.867	58%	0.58	S	S	*	*			trans	-71.2	107.8	154.3	54.9	0	0	0	0	108.2
271	F	32	Very low	41.7	Very low	146 Å²	146	116.5 Å²	116.5	64%	0.64	60%	0.595	S	S	*	*			trans	-99.6	132	169.4	-89.5	-85.4	0	0	0	110.2	F269 F273	F269-F271 HydrophobicContact CB-CD2 3.52Å; F269-F271 HydrophobicContact CB-CE2 3.41Å; F269-F271 VanDerWaalsContact CB-CE2 3.41Å; F269-F271 HydrophobicContact CD1-CE2 4.3Å; F269-F271 HydrophobicContact CD2-CE2 4.45Å; F269-F271 HydrophobicContact CG-CD2 4.39Å; F269-F271 AromaticContact CG-CE2 3.79Å; F269-F271 HydrophobicContact CG-CE2 3.79Å; F269-F271 PolarHBondContact O-N 3.07Å; F271-F273 PolarHBondContact O-N 3.17Å
272	D	25.3	Very low	41.1	Very low	161 Å²	161	116.6 Å²	116.6	86%	0.861	60%	0.595	S	S	*	*			trans	-64.9	119.4	165.7	-96.6	-33.1	0	0	0	109	T274	D272-T274 PolarHBondContact O-N 2.94Å; D272-T274 VanDerWaalsContact O-N 3.12Å
273	F	26.8	Very low	41.2	Very low	148 Å²	148	111.1 Å²	111.1	65%	0.649	58%	0.575	S	S	*	*			trans	-68.6	107.1	178.3	-76.2	-92	0	0	0	109.8	F271	F271-F273 PolarHBondContact O-N 3.17Å
274	T	24.7	Very low	41.7	Very low	136 Å²	136	114.6 Å²	114.6	83%	0.834	57%	0.574	S	S	*	*			trans	-94.6	107.4	157.6	-17.2	0	0	0	0	106.9	D272 C276	D272-T274 PolarHBondContact O-N 2.94Å; D272-T274 VanDerWaalsContact O-N 3.12Å; T274-C276 PolarHBondContact O-N 3.36Å
275	F	27.6	Very low	42.3	Very low	145 Å²	145	112.1 Å²	112.1	64%	0.636	56%	0.563	S	S	*	*			trans	-55.3	111.6	172.6	-114.2	-93.8	0	0	0	108	E277 R278	F275-E277 PolarHBondContact O-N 3.37Å; F275-R278 HydrophobicContact CD1-CG 4.44Å; F275-R278 HydrophobicContact CE1-CG 4.32Å
276	C	29.7	Very low	43.3	Very low	102 Å²	102	110.5 Å²	110.5	69%	0.689	56%	0.555	S	S	*	*			trans	-60.5	126.6	161.1	-153.8	0	0	0	0	105.9	T274 R278	T274-C276 PolarHBondContact O-N 3.36Å; C276-R278 PolarHBondContact O-N 2.95Å
277	E	34.8	Very low	44.8	Very low	181 Å²	181	103.8 Å²	103.8	85%	0.846	52%	0.524	S	S	*	.			trans	-44.3	121.3	179.9	-81.1	-171.6	152.8	0	0	108.8	F275 P279	F275-E277 PolarHBondContact O-N 3.37Å; E277-P279 WeakPolarHBondContact O-CD 3.49Å
278	R	42.4	Very low	46.7	Very low	181 Å²	181	100.9 Å²	100.9	68%	0.683	51%	0.507	S	S	*	.			trans	-47.8	118.6	-175.8	-65.7	-177.6	-172.1	-174.2	0.7	108.2	F275 C276 F280	F275-R278 HydrophobicContact CD1-CG 4.44Å; F275-R278 HydrophobicContact CE1-CG 4.32Å; C276-R278 PolarHBondContact O-N 2.95Å; R278-F280 PolarHBondContact O-N 3.41Å
279	P	45.8	Very low	49.2	Very low	61 Å²	61	94.3 Å²	94.3	40%	0.396	47%	0.472	S	S	.	.	S	Bend	trans	-59	-0.7	175.1	-23.4	28.9	0	0	0	114.5	E277	E277-P279 WeakPolarHBondContact O-CD 3.49Å
280	F	52.9	Low	51.9	Low	36 Å²	36	87.5 Å²	87.5	16%	0.158	44%	0.441	C	S	.	.			trans	-126.6	62	-145.5	-64	-65.1	0	0	0	111	P195 E196 R278 W285	P195-F280 HydrophobicContact CB-CE1 4.24Å; E196-F280 HydrophobicContact CG-CB 3.37Å; E196-F280 HydrophobicContact CG-CD1 3.79Å; E196-F280 HydrophobicContact CG-CD2 4.13Å; E196-F280 HydrophobicContact CG-CG 3.52Å; E196-F280 VanDerWaalsContact OE1-CB 3.22Å; E196-F280 WeakPolarHBondContact OE1-CB 3.09Å; E196-F280 WeakPolarHBondContact OE1-CD1 3.16Å; R278-F280 PolarHBondContact O-N 3.41Å; F280-W285 AromaticContact CD1-CE2 3.91Å; F280-W285 AromaticContact CD1-CH2 3.69Å; F280-W285 HydrophobicContact CD1-CH2 3.69Å; F280-W285 AromaticContact CD1-CZ2 3.14Å; F280-W285 HydrophobicContact CD1-CZ2 3.14Å; F280-W285 AromaticContact CE1-CH2 3.61Å; F280-W285 HydrophobicContact CE1-CH2 3.61Å; F280-W285 AromaticContact CE1-CZ2 3.51Å; F280-W285 HydrophobicContact CE1-CZ2 3.51Å; F280-W285 HydrophobicContact CG-CZ2 4.27Å
281	A	53.2	Low	55.2	Low	41 Å²	41	81.6 Å²	81.6	34%	0.339	40%	0.4	S	S	.	.			trans	-87.2	110.1	168.5	0	0	0	0	0	108	D283 R284	A281-D283 PolarHBondContact O-N 2.91Å; A281-R284 HydrophobicContact CB-CG 4.5Å; A281-R284 PolarHBondContact O-N 3.24Å
282	Q	54.9	Low	58.2	Low	129 Å²	129	74.7 Å²	74.7	60%	0.603	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	-39.1	-172	-72.8	-179.6	-13.7	0	0	113.9	R284 W285	Q282-R284 VanDerWaalsContact C-N 3.26Å; Q282-R284 PolarHBondContact O-N 3.42Å; Q282-W285 PolarHBondContact O-N 2.98Å
283	D	54.4	Low	61.6	Low	71 Å²	71	67 Å²	67	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-25.2	-177.4	-53.8	-24.9	0	0	0	113.8	A281 W285 Y286	A281-D283 PolarHBondContact O-N 2.91Å; D283-W285 VanDerWaalsContact C-N 3.29Å; D283-W285 PolarHBondContact O-N 3.32Å; D283-Y286 HydrophobicContact CB-CE1 4.35Å; D283-Y286 VanDerWaalsContact O-CE1 3.31Å; D283-Y286 WeakPolarHBondContact O-CE1 3.08Å; D283-Y286 WeakPolarHBondContact O-CE2 3.44Å; D283-Y286 PolarHBondContact O-OH 3.48Å
284	R	64.9	Low	64.9	Low	116 Å²	116	60 Å²	60	44%	0.438	30%	0.298	S	S	.	.	H	α-helix	trans	-75.9	-20.4	179.2	-67.4	-168.9	-81.4	-162.8	-4.9	112.5	A281 Q282 F288	A281-R284 HydrophobicContact CB-CG 4.5Å; A281-R284 PolarHBondContact O-N 3.24Å; Q282-R284 VanDerWaalsContact C-N 3.26Å; Q282-R284 PolarHBondContact O-N 3.42Å; R284-F288 HydrophobicContact CB-CD2 4.23Å; R284-F288 HydrophobicContact CB-CE2 4.28Å; R284-F288 WeakPolarHBondContact O-CD2 3.33Å; R284-F288 PolarHBondContact O-N 3.26Å
285	W	67.8	Low	68.4	Low	8 Å²	8	56.3 Å²	56.3	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-77.5	-49.5	-167.3	-71.8	69.1	0	0	0	112.1	H190 L192 P195 D230 S247 F248 F280 Q282 D283 E287 A289	H190-W285 AromaticContact CD2-CE3 3.49Å; H190-W285 VanDerWaalsContact CD2-CE3 3.49Å; H190-W285 AromaticContact NE2-CE3 3.6Å; L192-W285 HydrophobicContact CD2-CB 4.32Å; P195-W285 HydrophobicContact CB-CH2 3.94Å; P195-W285 HydrophobicContact CB-CZ3 3.88Å; P195-W285 HydrophobicContact CG-CE3 4.09Å; P195-W285 HydrophobicContact CG-CH2 4.14Å; P195-W285 HydrophobicContact CG-CZ3 3.55Å; D230-W285 HydrophobicContact CB-CZ3 4.19Å; S247-W285 WeakPolarHBondContact OG-CH2 3.45Å; F248-W285 HydrophobicContact CE2-CB 4.21Å; F248-W285 AromaticContact CE2-CD2 3.6Å; F248-W285 HydrophobicContact CE2-CD2 3.6Å; F248-W285 AromaticContact CE2-CE3 3.37Å; F248-W285 HydrophobicContact CE2-CE3 3.37Å; F248-W285 HydrophobicContact CE2-CG 4.03Å; F248-W285 HydrophobicContact CE2-CH2 4.38Å; F248-W285 AromaticContact CE2-CZ3 3.8Å; F248-W285 HydrophobicContact CE2-CZ3 3.8Å; F248-W285 HydrophobicContact CZ-CB 4.37Å; F248-W285 AromaticContact CZ-CD2 3.95Å; F248-W285 HydrophobicContact CZ-CD2 3.95Å; F248-W285 AromaticContact CZ-CE3 3.29Å; F248-W285 HydrophobicContact CZ-CE3 3.29Å; F248-W285 HydrophobicContact CZ-CG 4.45Å; F248-W285 AromaticContact CZ-CZ3 3.73Å; F248-W285 HydrophobicContact CZ-CZ3 3.73Å; F280-W285 AromaticContact CD1-CE2 3.91Å; F280-W285 AromaticContact CD1-CH2 3.69Å; F280-W285 HydrophobicContact CD1-CH2 3.69Å; F280-W285 AromaticContact CD1-CZ2 3.14Å; F280-W285 HydrophobicContact CD1-CZ2 3.14Å; F280-W285 AromaticContact CE1-CH2 3.61Å; F280-W285 HydrophobicContact CE1-CH2 3.61Å; F280-W285 AromaticContact CE1-CZ2 3.51Å; F280-W285 HydrophobicContact CE1-CZ2 3.51Å; F280-W285 HydrophobicContact CG-CZ2 4.27Å; Q282-W285 PolarHBondContact O-N 2.98Å; D283-W285 VanDerWaalsContact C-N 3.29Å; D283-W285 PolarHBondContact O-N 3.32Å; W285-E287 VanDerWaalsContact C-N 3.26Å; W285-E287 PolarHBondContact O-N 3.32Å; W285-A289 WeakPolarHBondContact O-CB 3.37Å; W285-A289 PolarHBondContact O-N 2.93Å
286	Y	74.6	Confident	71.7	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-32.9	-179.7	61.2	-105.4	0	0	0	111.9	D283 G290 T488 F492	D283-Y286 HydrophobicContact CB-CE1 4.35Å; D283-Y286 VanDerWaalsContact O-CE1 3.31Å; D283-Y286 WeakPolarHBondContact O-CE1 3.08Å; D283-Y286 WeakPolarHBondContact O-CE2 3.44Å; D283-Y286 PolarHBondContact O-OH 3.48Å; Y286-G290 PolarHBondContact O-N 3.3Å; Y286-T488 HydrophobicContact CD1-CG2 4.2Å; Y286-T488 HydrophobicContact CE1-CG2 4.46Å; Y286-F492 HydrophobicContact CD2-CB 4.09Å; Y286-F492 HydrophobicContact CD2-CD1 4.26Å; Y286-F492 AromaticContact CD2-CD2 3.72Å; Y286-F492 HydrophobicContact CD2-CD2 3.72Å; Y286-F492 AromaticContact CD2-CE2 3.98Å; Y286-F492 HydrophobicContact CD2-CE2 3.98Å; Y286-F492 AromaticContact CD2-CG 3.77Å; Y286-F492 HydrophobicContact CD2-CG 3.77Å; Y286-F492 HydrophobicContact CD2-CZ 4.43Å; Y286-F492 HydrophobicContact CE1-CB 4.22Å; Y286-F492 HydrophobicContact CE2-CB 3.44Å; Y286-F492 VanDerWaalsContact CE2-CB 3.44Å; Y286-F492 HydrophobicContact CE2-CD1 4.13Å; Y286-F492 AromaticContact CE2-CD2 2.9Å; Y286-F492 HydrophobicContact CE2-CD2 2.9Å; Y286-F492 AromaticContact CE2-CE2 3.45Å; Y286-F492 HydrophobicContact CE2-CE2 3.45Å; Y286-F492 VanDerWaalsContact CE2-CE2 3.45Å; Y286-F492 AromaticContact CE2-CG 3.22Å; Y286-F492 HydrophobicContact CE2-CG 3.22Å; Y286-F492 HydrophobicContact CE2-CZ 4.3Å; Y286-F492 VanDerWaalsContact CZ-CB 3.44Å; Y286-F492 AromaticContact CZ-CD2 3.61Å; Y286-F492 AromaticContact CZ-CG 3.79Å; Y286-F492 WeakPolarHBondContact OH-CA 3.11Å
287	E	83.7	Confident	74.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-57.7	-178.8	-176.6	-162	140.6	0	0	109.3	W285 A291 S325 F492 H495 K499 Y500	W285-E287 VanDerWaalsContact C-N 3.26Å; W285-E287 PolarHBondContact O-N 3.32Å; E287-A291 WeakPolarHBondContact O-CB 3.1Å; E287-A291 PolarHBondContact O-N 2.89Å; E287-S325 WeakPolarHBondContact CG-OG 3.33Å; E287-S325 WeakPolarHBondContact OE1-CB 3.47Å; E287-S325 PolarHBondContact OE1-OG 3.43Å; E287-F492 HydrophobicContact CB-CE2 4Å; E287-F492 HydrophobicContact CG-CE2 4Å; E287-H495 IonicContact OE2-CD2 3.9Å; E287-H495 PolarHBondContact OE2-CD2 3.47Å; E287-H495 IonicContact OE2-NE2 2.81Å; E287-H495 PolarHBondContact OE2-NE2 2.86Å; E287-K499 IonicContact OE1-NZ 3.77Å; E287-K499 PolarHBondContact OE1-NZ 3.46Å; E287-K499 IonicContact OE2-NZ 2.93Å; E287-K499 PolarHBondContact OE2-NZ 2.93Å; E287-Y500 WeakPolarHBondContact OE1-CE2 3.23Å; E287-Y500 VanDerWaalsContact OE1-CZ 3.3Å; E287-Y500 PolarHBondContact OE1-OH 3.37Å
288	F	86.1	Confident	77.9	Confident	46 Å²	46	39.3 Å²	39.3	20%	0.202	18%	0.179	C	C	.	.	H	α-helix	trans	-74.2	-36.4	-175.1	-66.7	-53.9	0	0	0	112.3	F248 R284 A291 C292 L329	F248-F288 HydrophobicContact CB-CB 3.62Å; F248-F288 HydrophobicContact CD1-CB 4.46Å; F248-F288 HydrophobicContact CD2-CB 3.7Å; F248-F288 HydrophobicContact CG-CB 3.65Å; R284-F288 HydrophobicContact CB-CD2 4.23Å; R284-F288 HydrophobicContact CB-CE2 4.28Å; R284-F288 WeakPolarHBondContact O-CD2 3.33Å; R284-F288 PolarHBondContact O-N 3.26Å; F288-A291 PolarHBondContact O-N 3.04Å; F288-C292 VanDerWaalsContact O-CB 3.3Å; F288-C292 WeakPolarHBondContact O-CB 3.28Å; F288-C292 PolarHBondContact O-N 3.19Å; F288-C292 PolarHBondContact O-SG 2.92Å; F288-L329 HydrophobicContact CD1-CD1 4.02Å; F288-L329 HydrophobicContact CD1-CD2 3.79Å; F288-L329 HydrophobicContact CD1-CG 4.12Å; F288-L329 HydrophobicContact CE1-CD2 3.76Å; F288-L329 HydrophobicContact CE1-CG 4.34Å
289	A	87.6	Confident	80.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-48.3	176.4	0	0	0	0	0	111.4	Y228 F248 W285 A291 C292 W293 Y598	Y228-A289 HydrophobicContact CD1-CB 4.37Å; F248-A289 HydrophobicContact CD1-CB 3.89Å; F248-A289 VanDerWaalsContact CE1-CA 3.48Å; F248-A289 HydrophobicContact CE1-CB 3.22Å; F248-A289 HydrophobicContact CZ-CB 3.61Å; W285-A289 WeakPolarHBondContact O-CB 3.37Å; W285-A289 PolarHBondContact O-N 2.93Å; A289-A291 VanDerWaalsContact C-N 3.33Å; A289-A291 PolarHBondContact O-N 3.4Å; A289-C292 PolarHBondContact O-N 2.8Å; A289-W293 VanDerWaalsContact O-CB 3.25Å; A289-W293 WeakPolarHBondContact O-CB 3.49Å; A289-W293 PolarHBondContact O-N 3.41Å; A289-Y598 HydrophobicContact CB-CE1 4.19Å; A289-Y598 WeakPolarHBondContact CB-OH 3.2Å
290	G	93.7	Very high	82.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-40.8	175.9	0	0	0	0	0	112.1	Y286 W293 L294 I322	Y286-G290 PolarHBondContact O-N 3.3Å; G290-W293 PolarHBondContact O-N 3.39Å; G290-L294 WeakPolarHBondContact O-CG 3.3Å; G290-L294 PolarHBondContact O-N 2.84Å; G290-I322 VanDerWaalsContact C-CG2 3.4Å
291	A	95.4	Very high	84.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-47.1	177.7	0	0	0	0	0	112.6	E287 F288 A289 L294 W295 I322 M326 L329	E287-A291 WeakPolarHBondContact O-CB 3.1Å; E287-A291 PolarHBondContact O-N 2.89Å; F288-A291 PolarHBondContact O-N 3.04Å; A289-A291 VanDerWaalsContact C-N 3.33Å; A289-A291 PolarHBondContact O-N 3.4Å; A291-L294 PolarHBondContact O-N 3.37Å; A291-W295 PolarHBondContact O-N 3.03Å; A291-I322 HydrophobicContact CB-CG2 4.5Å; A291-M326 HydrophobicContact CB-CB 3.91Å; A291-M326 WeakPolarHBondContact O-CG 3.44Å; A291-L329 HydrophobicContact CB-CD1 3.94Å
292	C	95.4	Very high	86.9	Confident	1 Å²	1	34 Å²	34	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-38.2	176.4	-71.5	0	0	0	0	111.8	Y228 F288 A289 W295 D296	Y228-C292 HydrophobicContact CD2-CB 4.24Å; Y228-C292 HydrophobicContact CE1-CB 4.37Å; Y228-C292 HydrophobicContact CE2-CB 3.28Å; Y228-C292 VanDerWaalsContact OH-CB 3.25Å; Y228-C292 WeakPolarHBondContact OH-CB 3.45Å; F288-C292 VanDerWaalsContact O-CB 3.3Å; F288-C292 WeakPolarHBondContact O-CB 3.28Å; F288-C292 PolarHBondContact O-N 3.19Å; F288-C292 PolarHBondContact O-SG 2.92Å; A289-C292 PolarHBondContact O-N 2.8Å; C292-W295 PolarHBondContact O-N 2.75Å; C292-D296 PolarHBondContact O-N 3.41Å
293	W	96.6	Very high	88.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-47.2	174.9	-176.9	79.4	0	0	0	111.5	C222 D225 Y228 A289 G290 W295 D296 Y297 I478 P480 Y598	C222-W293 HydrophobicContact CB-CG 4.47Å; C222-W293 VanDerWaalsContact SG-CD1 3.6Å; C222-W293 PolarHBondContact SG-NE1 3.41Å; C222-W293 VanDerWaalsContact SG-NE1 3.41Å; D225-W293 PolarHBondContact O-NE1 3.06Å; D225-W293 VanDerWaalsContact O-NE1 3.13Å; Y228-W293 HydrophobicContact CD2-CB 3.86Å; Y228-W293 HydrophobicContact CG-CB 4.39Å; A289-W293 VanDerWaalsContact O-CB 3.25Å; A289-W293 WeakPolarHBondContact O-CB 3.49Å; A289-W293 PolarHBondContact O-N 3.41Å; G290-W293 PolarHBondContact O-N 3.39Å; W293-W295 VanDerWaalsContact C-N 3.32Å; W293-W295 PolarHBondContact O-N 2.94Å; W293-D296 PolarHBondContact O-N 3.38Å; W293-Y297 AromaticContact CE2-CD2 3.92Å; W293-Y297 HydrophobicContact CH2-CD2 4.32Å; W293-Y297 HydrophobicContact CH2-CE2 4.43Å; W293-Y297 AromaticContact CZ2-CD2 3.79Å; W293-Y297 HydrophobicContact CZ2-CD2 3.79Å; W293-Y297 AromaticContact CZ2-CE2 3.82Å; W293-Y297 HydrophobicContact CZ2-CE2 3.82Å; W293-Y297 WeakPolarHBondContact O-CB 3.31Å; W293-Y297 PolarHBondContact O-N 3.13Å; W293-I478 HydrophobicContact CH2-CB 3.84Å; W293-I478 HydrophobicContact CH2-CD1 4.37Å; W293-I478 HydrophobicContact CH2-CG2 4.11Å; W293-I478 HydrophobicContact CZ3-CB 4.27Å; W293-I478 HydrophobicContact CZ3-CD1 4.18Å; W293-P480 HydrophobicContact CZ3-CB 4.31Å; W293-Y598 HydrophobicContact CB-CD2 4.17Å; W293-Y598 HydrophobicContact CB-CE2 4.4Å; W293-Y598 AromaticContact CD1-CD2 3.94Å; W293-Y598 AromaticContact CD2-CD2 3.91Å; W293-Y598 HydrophobicContact CD2-CD2 3.91Å; W293-Y598 HydrophobicContact CD2-CG 4.23Å; W293-Y598 HydrophobicContact CE3-CD2 4.44Å; W293-Y598 HydrophobicContact CE3-CG 4.3Å; W293-Y598 AromaticContact CG-CD2 3.76Å; W293-Y598 HydrophobicContact CG-CD2 3.76Å; W293-Y598 HydrophobicContact CG-CE2 4.33Å; W293-Y598 HydrophobicContact CG-CG 4.41Å
294	L	97.5	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-39.5	174.8	-73.3	-176.3	0	0	0	112.4	G290 A291 Y297 L298 F306 I322 V323 M326 L455 I478 P480	G290-L294 WeakPolarHBondContact O-CG 3.3Å; G290-L294 PolarHBondContact O-N 2.84Å; A291-L294 PolarHBondContact O-N 3.37Å; L294-Y297 PolarHBondContact O-N 3.05Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 PolarHBondContact O-N 3.46Å; L294-F306 HydrophobicContact CB-CE2 4.5Å; L294-F306 HydrophobicContact CB-CZ 3.99Å; L294-F306 HydrophobicContact CD2-CE1 4.2Å; L294-F306 HydrophobicContact CD2-CZ 4.28Å; L294-I322 HydrophobicContact CD1-CB 4.41Å; L294-I322 HydrophobicContact CD1-CG2 3.68Å; L294-I322 HydrophobicContact CG-CG2 4.39Å; L294-V323 HydrophobicContact CD1-CG2 3.8Å; L294-M326 HydrophobicContact CB-SD 4.06Å; L294-L455 HydrophobicContact CD2-CD2 4.05Å; L294-I478 HydrophobicContact CD2-CD1 3.68Å; L294-P480 HydrophobicContact CD1-CB 4.24Å; L294-P480 HydrophobicContact CD1-CG 4.29Å; L294-P480 HydrophobicContact CD2-CB 4.17Å; L294-P480 HydrophobicContact CD2-CG 4.41Å; L294-P480 HydrophobicContact CG-CB 4.25Å
295	W	97	Very high	92.5	Very high	59 Å²	59	24.6 Å²	24.6	22%	0.223	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-48.3	177	173	-115.7	0	0	0	112.4	L250 A291 C292 W293 Y297 L298 R299 M326 L330	L250-W295 HydrophobicContact CD2-CB 4.08Å; L250-W295 HydrophobicContact CD2-CG 3.91Å; A291-W295 PolarHBondContact O-N 3.03Å; C292-W295 PolarHBondContact O-N 2.75Å; W293-W295 VanDerWaalsContact C-N 3.32Å; W293-W295 PolarHBondContact O-N 2.94Å; W295-Y297 VanDerWaalsContact C-N 3.32Å; W295-Y297 PolarHBondContact O-N 3.41Å; W295-L298 HydrophobicContact CE3-CD2 4.46Å; W295-L298 HydrophobicContact CZ3-CD2 4.39Å; W295-L298 PolarHBondContact O-N 3.04Å; W295-R299 HydrophobicContact CZ2-CB 4.46Å; W295-R299 WeakPolarHBondContact O-CG 3.07Å; W295-R299 PolarHBondContact O-N 3.26Å; W295-M326 HydrophobicContact CB-CG 3.9Å; W295-M326 HydrophobicContact CB-SD 3.97Å; W295-M326 HydrophobicContact CE3-SD 4.38Å; W295-L330 HydrophobicContact CD2-CD2 3.78Å; W295-L330 HydrophobicContact CD2-CG 4.49Å; W295-L330 HydrophobicContact CE3-CD1 3.78Å; W295-L330 HydrophobicContact CE3-CD2 3.7Å; W295-L330 HydrophobicContact CE3-CG 4.2Å; W295-L330 HydrophobicContact CH2-CD2 3.62Å; W295-L330 HydrophobicContact CZ2-CD2 3.7Å; W295-L330 HydrophobicContact CZ3-CD1 3.83Å; W295-L330 HydrophobicContact CZ3-CD2 3.62Å; W295-L330 HydrophobicContact CZ3-CG 4.35Å
296	D	97	Very high	94	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-42.1	177.6	-75.8	-19.4	0	0	0	111.2	N9 G221 C222 C292 W293 L298 R299 R300	N9-D296 VanDerWaalsContact ND2-CG 3.35Å; N9-D296 PolarHBondContact ND2-OD1 3.16Å; N9-D296 VanDerWaalsContact ND2-OD1 3.08Å; N9-D296 PolarHBondContact ND2-OD2 3.13Å; G221-D296 WeakPolarHBondContact CA-OD2 3.27Å; C222-D296 HydrophobicContact CB-CB 3.71Å; C222-D296 PolarHBondContact N-OD2 3.44Å; C292-D296 PolarHBondContact O-N 3.41Å; W293-D296 PolarHBondContact O-N 3.38Å; D296-L298 PolarHBondContact O-N 2.95Å; D296-R299 WeakPolarHBondContact O-CG 3.46Å; D296-R299 IonicContact OD1-CZ 3.2Å; D296-R299 IonicContact OD1-NE 3.95Å; D296-R299 PolarHBondContact OD1-NE 3.32Å; D296-R299 IonicContact OD1-NH2 2.86Å; D296-R299 PolarHBondContact OD1-NH2 3.5Å; D296-R300 WeakPolarHBondContact O-CB 3.21Å; D296-R300 WeakPolarHBondContact O-CG 3.46Å; D296-R300 PolarHBondContact O-N 3.01Å
297	Y	97.1	Very high	95.1	Very high	63 Å²	63	24 Å²	24	25%	0.247	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-45.8	176.1	-136.4	-75.3	0	0	0	112	W293 L294 W295 S301 L453 I478	W293-Y297 AromaticContact CE2-CD2 3.92Å; W293-Y297 HydrophobicContact CH2-CD2 4.32Å; W293-Y297 HydrophobicContact CH2-CE2 4.43Å; W293-Y297 AromaticContact CZ2-CD2 3.79Å; W293-Y297 HydrophobicContact CZ2-CD2 3.79Å; W293-Y297 AromaticContact CZ2-CE2 3.82Å; W293-Y297 HydrophobicContact CZ2-CE2 3.82Å; W293-Y297 WeakPolarHBondContact O-CB 3.31Å; W293-Y297 PolarHBondContact O-N 3.13Å; L294-Y297 PolarHBondContact O-N 3.05Å; W295-Y297 VanDerWaalsContact C-N 3.32Å; W295-Y297 PolarHBondContact O-N 3.41Å; Y297-S301 WeakPolarHBondContact O-CB 3.47Å; Y297-S301 PolarHBondContact O-N 3.48Å; Y297-S301 PolarHBondContact O-OG 3.21Å; Y297-L453 HydrophobicContact CD1-CD1 4.19Å; Y297-I478 HydrophobicContact CD1-CD1 3.95Å; Y297-I478 HydrophobicContact CD1-CG2 4.08Å; Y297-I478 HydrophobicContact CD2-CD1 4.47Å; Y297-I478 HydrophobicContact CD2-CG2 4.32Å; Y297-I478 HydrophobicContact CE1-CD1 4.47Å; Y297-I478 HydrophobicContact CE1-CG2 3.55Å; Y297-I478 HydrophobicContact CE2-CG2 3.83Å; Y297-I478 HydrophobicContact CG-CD1 3.94Å; Y297-I478 HydrophobicContact CG-CG2 4.43Å; Y297-I478 VanDerWaalsContact CZ-CG2 3.41Å
298	L	97.5	Very high	95.8	Very high	6 Å²	6	24 Å²	24	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-52.4	-179.7	179.1	61.5	0	0	0	111.6	L294 W295 D296 R300 S301 Q303 F306 L353	L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 PolarHBondContact O-N 3.46Å; W295-L298 HydrophobicContact CE3-CD2 4.46Å; W295-L298 HydrophobicContact CZ3-CD2 4.39Å; W295-L298 PolarHBondContact O-N 3.04Å; D296-L298 PolarHBondContact O-N 2.95Å; L298-R300 PolarHBondContact O-N 3.4Å; L298-S301 PolarHBondContact O-OG 3.3Å; L298-S301 VanDerWaalsContact O-OG 3.07Å; L298-Q303 HydrophobicContact CD1-CB 4.14Å; L298-Q303 WeakPolarHBondContact CD1-O 3.41Å; L298-F306 HydrophobicContact CB-CE2 4.19Å; L298-F306 HydrophobicContact CB-CZ 3.73Å; L298-F306 HydrophobicContact CD1-CE2 4.5Å; L298-F306 HydrophobicContact CD1-CZ 4.36Å; L298-F306 HydrophobicContact CD2-CE2 3.86Å; L298-F306 HydrophobicContact CD2-CZ 4.26Å; L298-F306 HydrophobicContact CG-CE2 4.41Å; L298-F306 HydrophobicContact CG-CZ 4.34Å; L298-L353 HydrophobicContact CD2-CD1 4.39Å
299	R	95.3	Very high	96.4	Very high	77 Å²	77	22.4 Å²	22.4	29%	0.291	12%	0.119	S	C	.	.	H	α-helix	trans	-70.8	-31.7	-175	75.5	-170.2	177.4	88.3	-4.9	113	N9 E252 W295 D296	N9-R299 PolarHBondContact ND2-NH2 3.16Å; E252-R299 IonicContact OE1-CZ 2.95Å; E252-R299 IonicContact OE1-NE 2.65Å; E252-R299 IonicContact OE1-NH1 2.77Å; E252-R299 PolarHBondContact OE1-NH1 3.17Å; E252-R299 IonicContact OE1-NH2 3.28Å; E252-R299 PolarHBondContact OE1-NH2 2.98Å; E252-R299 IonicContact OE2-CZ 3.67Å; E252-R299 IonicContact OE2-NH1 3.42Å; E252-R299 PolarHBondContact OE2-NH1 3.45Å; E252-R299 IonicContact OE2-NH2 2.78Å; W295-R299 HydrophobicContact CZ2-CB 4.46Å; W295-R299 WeakPolarHBondContact O-CG 3.07Å; W295-R299 PolarHBondContact O-N 3.26Å; D296-R299 WeakPolarHBondContact O-CG 3.46Å; D296-R299 IonicContact OD1-CZ 3.2Å; D296-R299 IonicContact OD1-NE 3.95Å; D296-R299 PolarHBondContact OD1-NE 3.32Å; D296-R299 IonicContact OD1-NH2 2.86Å; D296-R299 PolarHBondContact OD1-NH2 3.5Å
300	R	97	Very high	96.9	Very high	30 Å²	30	22.4 Å²	22.4	11%	0.113	12%	0.119	C	C	.	.	H	α-helix	trans	-83.3	-28.3	-179.5	-66.7	174.8	-178.1	-153.5	-13.1	112.8	N9 Q10 W11 C222 D296 L298 G302	N9-R300 VanDerWaalsContact CG-NH2 3.33Å; N9-R300 PolarHBondContact O-NH2 3.05Å; N9-R300 PolarHBondContact OD1-NH2 2.87Å; Q10-R300 PolarHBondContact O-NH1 3.36Å; Q10-R300 PolarHBondContact O-NH2 3.36Å; W11-R300 VanDerWaalsContact CB-NH1 3.35Å; W11-R300 HydrophobicContact CD2-CG 4.3Å; W11-R300 HydrophobicContact CH2-CB 4.29Å; W11-R300 HydrophobicContact CZ2-CB 3.97Å; W11-R300 HydrophobicContact CZ2-CG 4.48Å; C222-R300 PolarHBondContact O-NH1 3.03Å; D296-R300 WeakPolarHBondContact O-CB 3.21Å; D296-R300 WeakPolarHBondContact O-CG 3.46Å; D296-R300 PolarHBondContact O-N 3.01Å; L298-R300 PolarHBondContact O-N 3.4Å; R300-G302 VanDerWaalsContact C-N 3.28Å; R300-G302 PolarHBondContact O-N 2.99Å
301	S	96.7	Very high	97	Very high	44 Å²	44	25.4 Å²	25.4	31%	0.308	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.1	177.5	62.8	0	0	0	0	114.4	Y297 L298 Q303	Y297-S301 WeakPolarHBondContact O-CB 3.47Å; Y297-S301 PolarHBondContact O-N 3.48Å; Y297-S301 PolarHBondContact O-OG 3.21Å; L298-S301 PolarHBondContact O-OG 3.3Å; L298-S301 VanDerWaalsContact O-OG 3.07Å; S301-Q303 PolarHBondContact O-N 3.28Å; S301-Q303 WeakPolarHBondContact OG-CG 3.38Å; S301-Q303 PolarHBondContact OG-N 3.14Å
302	G	94.9	Very high	96.9	Very high	56 Å²	56	25.5 Å²	25.5	58%	0.577	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	13.9	-174.9	0	0	0	0	0	114.1	R300	R300-G302 VanDerWaalsContact C-N 3.28Å; R300-G302 PolarHBondContact O-N 2.99Å
303	Q	96.7	Very high	96.8	Very high	57 Å²	57	26.6 Å²	26.6	27%	0.266	15%	0.152	S	C	.	.			trans	-82.1	166.4	178	-60.4	-59.9	-45.9	0	0	111.5	L298 S301 R451 L453	L298-Q303 HydrophobicContact CD1-CB 4.14Å; L298-Q303 WeakPolarHBondContact CD1-O 3.41Å; S301-Q303 PolarHBondContact O-N 3.28Å; S301-Q303 WeakPolarHBondContact OG-CG 3.38Å; S301-Q303 PolarHBondContact OG-N 3.14Å; Q303-R451 VanDerWaalsContact OE1-CB 3.32Å; Q303-R451 PolarHBondContact OE1-O 3.3Å; Q303-L453 HydrophobicContact CB-CD1 4.2Å; Q303-L453 HydrophobicContact CB-CD2 4.46Å; Q303-L453 HydrophobicContact CB-CG 3.86Å; Q303-L453 HydrophobicContact CG-CD1 4.26Å; Q303-L453 HydrophobicContact CG-CD2 3.75Å; Q303-L453 HydrophobicContact CG-CG 3.71Å
304	N	97.1	Very high	96.8	Very high	62 Å²	62	27.5 Å²	27.5	33%	0.332	16%	0.156	S	C	.	.			trans	-118.4	11.7	-166.7	-60.6	91.7	0	0	0	113.9	L443 G450 R451	N304-L443 HydrophobicContact CB-CD1 3.49Å; N304-L443 VanDerWaalsContact CB-CD1 3.49Å; N304-G450 WeakPolarHBondContact OD1-CA 3.4Å; N304-R451 PolarHBondContact N-O 3.02Å
305	G	98.1	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.			trans	157.6	-166.9	173.7	0	0	0	0	0	112.2	L353 L452 L453	G305-L353 CarbonylContact C-O 3.59Å; G305-L353 WeakPolarHBondContact CA-O 3.15Å; G305-L452 WeakPolarHBondContact O-CA 3.45Å; G305-L453 PolarHBondContact O-N 2.96Å
306	F	98.7	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.1	-179.5	-61.9	-70.8	0	0	0	111.1	L294 L298 V323 M326 L353 F354 F355 L453 L455 I478	L294-F306 HydrophobicContact CB-CE2 4.5Å; L294-F306 HydrophobicContact CB-CZ 3.99Å; L294-F306 HydrophobicContact CD2-CE1 4.2Å; L294-F306 HydrophobicContact CD2-CZ 4.28Å; L298-F306 HydrophobicContact CB-CE2 4.19Å; L298-F306 HydrophobicContact CB-CZ 3.73Å; L298-F306 HydrophobicContact CD1-CE2 4.5Å; L298-F306 HydrophobicContact CD1-CZ 4.36Å; L298-F306 HydrophobicContact CD2-CE2 3.86Å; L298-F306 HydrophobicContact CD2-CZ 4.26Å; L298-F306 HydrophobicContact CG-CE2 4.41Å; L298-F306 HydrophobicContact CG-CZ 4.34Å; F306-V323 HydrophobicContact CD2-CG1 4.16Å; F306-M326 HydrophobicContact CD2-CE 4.4Å; F306-M326 HydrophobicContact CE2-CE 3.8Å; F306-M326 HydrophobicContact CE2-SD 3.92Å; F306-L353 PolarHBondContact N-O 3.29Å; F306-F354 HydrophobicContact CB-CD2 3.95Å; F306-F354 HydrophobicContact CB-CE2 4.39Å; F306-F355 PolarHBondContact O-N 2.99Å; F306-L453 CarbonylContact C-O 3.48Å; F306-L453 WeakPolarHBondContact CA-O 3.21Å; F306-L453 HydrophobicContact CD1-CB 3.81Å; F306-L453 HydrophobicContact CD1-CD1 4.33Å; F306-L453 HydrophobicContact CE1-CB 4.12Å; F306-L453 HydrophobicContact CE1-CD1 3.79Å; F306-L455 HydrophobicContact CB-CD1 3.79Å; F306-L455 HydrophobicContact CB-CG 4.09Å; F306-L455 HydrophobicContact CD1-CD1 3.99Å; F306-L455 HydrophobicContact CD1-CD2 3.59Å; F306-L455 HydrophobicContact CD1-CG 3.86Å; F306-L455 HydrophobicContact CE1-CD2 4Å; F306-L455 HydrophobicContact CG-CD1 3.96Å; F306-L455 HydrophobicContact CG-CD2 4.4Å; F306-L455 HydrophobicContact CG-CG 4.26Å; F306-I478 HydrophobicContact CE1-CD1 4.27Å
307	L	98.6	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.5	165.6	-175.1	148.6	0	0	0	109.1	P309 F355 F357 A435 F438 A439 L452 L453 V454 L455	L307-P309 HydrophobicContact CD2-CG 4.33Å; L307-F355 CarbonylContact C-O 3.2Å; L307-F355 WeakPolarHBondContact CA-O 3.46Å; L307-F357 HydrophobicContact CD1-CD2 3.62Å; L307-F357 HydrophobicContact CD1-CE2 3.38Å; L307-F357 HydrophobicContact CD1-CZ 4.21Å; L307-F357 HydrophobicContact CD2-CD2 4.24Å; L307-F357 HydrophobicContact CG-CD2 3.71Å; L307-F357 HydrophobicContact CG-CE2 3.89Å; L307-A435 WeakPolarHBondContact CD1-O 3.2Å; L307-A435 HydrophobicContact CD2-CB 3.93Å; L307-F438 HydrophobicContact CD1-CB 3.54Å; L307-A439 HydrophobicContact CB-CB 4.26Å; L307-A439 HydrophobicContact CD1-CB 4.08Å; L307-L452 HydrophobicContact CB-CB 4.08Å; L307-L452 HydrophobicContact CB-CD1 4.07Å; L307-L452 HydrophobicContact CD1-CD1 4.42Å; L307-L453 PolarHBondContact N-O 2.98Å; L307-V454 HydrophobicContact CD2-CG1 4.46Å; L307-V454 WeakPolarHBondContact O-CA 3.21Å; L307-L455 PolarHBondContact O-N 2.98Å
308	L	98.7	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.5	174.1	175.8	67.1	0	0	0	111.2	L310 S316 V319 A320 F354 F355 T356 F357 L455	L308-L310 HydrophobicContact CD2-CB 4.48Å; L308-L310 HydrophobicContact CD2-CD1 4.02Å; L308-L310 HydrophobicContact CG-CB 4.48Å; L308-L310 PolarHBondContact O-N 2.69Å; L308-S316 WeakPolarHBondContact CD2-O 3.25Å; L308-V319 HydrophobicContact CD1-CB 4.07Å; L308-V319 HydrophobicContact CD1-CG1 3.76Å; L308-V319 HydrophobicContact CD2-CB 4.11Å; L308-V319 HydrophobicContact CD2-CG1 4.07Å; L308-V319 HydrophobicContact CG-CG1 4.49Å; L308-A320 HydrophobicContact CD2-CB 3.95Å; L308-F354 HydrophobicContact CB-CE2 3.57Å; L308-F354 HydrophobicContact CB-CZ 3.87Å; L308-F354 HydrophobicContact CD2-CE2 4.28Å; L308-F354 HydrophobicContact CD2-CZ 3.71Å; L308-F354 HydrophobicContact CG-CZ 4.46Å; L308-F355 PolarHBondContact N-O 3.35Å; L308-T356 WeakPolarHBondContact O-CA 3.25Å; L308-F357 PolarHBondContact O-N 3.02Å; L308-L455 HydrophobicContact CD1-CB 4.03Å
309	P	98.2	Very high	96.7	Very high	13 Å²	13	22.4 Å²	22.4	8%	0.084	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	93.8	159.8	-23.5	38	0	0	0	110.2	L307 F357 M359 A435 C473	L307-P309 HydrophobicContact CD2-CG 4.33Å; P309-F357 CarbonylContact C-O 3.52Å; P309-F357 WeakPolarHBondContact CA-O 3.49Å; P309-M359 HydrophobicContact CB-CE 3.59Å; P309-M359 HydrophobicContact CG-CE 4.03Å; P309-A435 HydrophobicContact CG-CB 3.83Å; P309-C473 HydrophobicContact CB-CB 4.3Å; P309-C473 HydrophobicContact CG-CB 4.25Å
310	L	97.9	Very high	96.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	12%	0.124	C	C	.	.			trans	-91.3	112.4	-175.4	-175.9	66.7	0	0	0	109.1	L308 A320 T356 F357 Y358 A372 L375 S376	L308-L310 HydrophobicContact CD2-CB 4.48Å; L308-L310 HydrophobicContact CD2-CD1 4.02Å; L308-L310 HydrophobicContact CG-CB 4.48Å; L308-L310 PolarHBondContact O-N 2.69Å; L310-A320 HydrophobicContact CD1-CB 4.29Å; L310-T356 HydrophobicContact CB-CG2 4.45Å; L310-T356 HydrophobicContact CD2-CG2 4.17Å; L310-F357 PolarHBondContact N-O 3.16Å; L310-Y358 WeakPolarHBondContact O-CA 3.48Å; L310-Y358 VanDerWaalsContact O-CD2 3.25Å; L310-Y358 WeakPolarHBondContact O-CD2 3.4Å; L310-A372 HydrophobicContact CD2-CB 3.94Å; L310-A372 WeakPolarHBondContact CD2-O 3.43Å; L310-A372 HydrophobicContact CG-CB 3.91Å; L310-L375 HydrophobicContact CD1-CD2 4.45Å; L310-S376 WeakPolarHBondContact CD2-OG 3.28Å
311	S	95.5	Very high	96.8	Very high	63 Å²	63	17.3 Å²	17.3	44%	0.441	12%	0.119	S	C	.	.			trans	-91.1	-10.7	-176.7	62.4	0	0	0	0	114.3	G313 S316 Y358	S311-G313 PolarHBondContact O-N 3.44Å; S311-G313 PolarHBondContact OG-N 3.35Å; S311-S316 PolarHBondContact N-OG 2.9Å; S311-S316 PolarHBondContact OG-OG 2.71Å; S311-Y358 WeakPolarHBondContact O-CE2 3.31Å
312	G	93.5	Very high	96.8	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	76.8	3	-171.4	0	0	0	0	0	114.2
313	G	94	Very high	97	Very high	24 Å²	24	12.6 Å²	12.6	25%	0.247	8%	0.077	C	C	.	.	S	Bend	trans	-90.6	168.1	171.1	0	0	0	0	0	113.1	S311 D315 S316 S317	S311-G313 PolarHBondContact O-N 3.44Å; S311-G313 PolarHBondContact OG-N 3.35Å; G313-D315 VanDerWaalsContact C-N 3.33Å; G313-D315 PolarHBondContact O-N 3.44Å; G313-S316 PolarHBondContact O-OG 2.96Å; G313-S317 WeakPolarHBondContact O-CB 3.09Å; G313-S317 PolarHBondContact O-N 3.23Å; G313-S317 PolarHBondContact O-OG 2.86Å; G313-S317 VanDerWaalsContact O-OG 3.06Å
314	M	94.8	Very high	97	Very high	19 Å²	19	9.9 Å²	9.9	9%	0.094	6%	0.064	C	C	.	.	H	α-helix	trans	-53.8	-42.8	-173.8	-175	173.9	70.1	0	0	114.3	S318 K486 L489 R490 L493 V508	M314-S318 WeakPolarHBondContact O-CB 3.27Å; M314-S318 PolarHBondContact O-N 2.92Å; M314-S318 PolarHBondContact O-OG 3.23Å; M314-K486 HydrophobicContact CE-CB 3.74Å; M314-K486 HydrophobicContact CE-CD 3.59Å; M314-K486 HydrophobicContact CE-CG 3.72Å; M314-L489 HydrophobicContact CE-CB 4.34Å; M314-L489 HydrophobicContact CG-CB 4.44Å; M314-L489 HydrophobicContact SD-CB 4.49Å; M314-R490 HydrophobicContact SD-CB 4.03Å; M314-L493 HydrophobicContact CB-CD1 4.4Å; M314-L493 HydrophobicContact CG-CD1 3.71Å; M314-V508 HydrophobicContact CB-CG1 4.38Å
315	D	95.6	Very high	96.9	Very high	22 Å²	22	7 Å²	7	12%	0.118	5%	0.049	C	C	.	.	H	α-helix	trans	-70.4	-50.4	-172.3	-52.2	-64.9	0	0	0	111.8	G313 S317 S318 V319 S457 N459 I481 K486 L489	G313-D315 VanDerWaalsContact C-N 3.33Å; G313-D315 PolarHBondContact O-N 3.44Å; D315-S317 VanDerWaalsContact C-N 3.34Å; D315-S317 PolarHBondContact O-N 2.92Å; D315-S318 WeakPolarHBondContact O-CB 3.45Å; D315-S318 PolarHBondContact O-N 2.98Å; D315-S318 VanDerWaalsContact O-N 3.13Å; D315-V319 PolarHBondContact O-N 3Å; D315-V319 VanDerWaalsContact O-N 3.14Å; D315-S457 WeakPolarHBondContact CB-O 3.38Å; D315-N459 VanDerWaalsContact CG-ND2 3.27Å; D315-N459 PolarHBondContact OD1-ND2 2.9Å; D315-N459 PolarHBondContact OD2-ND2 3.42Å; D315-I481 HydrophobicContact CB-CD1 4.01Å; D315-I481 WeakPolarHBondContact O-CD1 3.35Å; D315-K486 IonicContact OD2-NZ 2.68Å; D315-K486 PolarHBondContact OD2-NZ 3.32Å; D315-L489 VanDerWaalsContact OD1-CD1 3.25Å; D315-L489 WeakPolarHBondContact OD1-CD1 3.49Å
316	S	97.1	Very high	96.9	Very high	1 Å²	1	7 Å²	7	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-67.3	-34.8	176.8	64.1	0	0	0	0	112.1	L308 S311 G313 S318 V319 A320	L308-S316 WeakPolarHBondContact CD2-O 3.25Å; S311-S316 PolarHBondContact N-OG 2.9Å; S311-S316 PolarHBondContact OG-OG 2.71Å; G313-S316 PolarHBondContact O-OG 2.96Å; S316-S318 VanDerWaalsContact C-N 3.29Å; S316-S318 PolarHBondContact O-N 2.88Å; S316-V319 PolarHBondContact O-N 2.8Å; S316-A320 PolarHBondContact O-N 3.28Å
317	S	97.3	Very high	96.8	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.4	-34.1	170.7	-67.7	0	0	0	0	113.1	G313 D315 A320 C321 L375	G313-S317 WeakPolarHBondContact O-CB 3.09Å; G313-S317 PolarHBondContact O-N 3.23Å; G313-S317 PolarHBondContact O-OG 2.86Å; G313-S317 VanDerWaalsContact O-OG 3.06Å; D315-S317 VanDerWaalsContact C-N 3.34Å; D315-S317 PolarHBondContact O-N 2.92Å; S317-A320 PolarHBondContact O-N 2.88Å; S317-C321 PolarHBondContact O-N 3.43Å; S317-C321 PolarHBondContact O-SG 3.18Å; S317-L375 WeakPolarHBondContact OG-CD2 3.47Å
318	S	96.6	Very high	96.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.1	-46.3	175	-59.8	0	0	0	0	110.6	M314 D315 S316 A320 C321 I322 F492	M314-S318 WeakPolarHBondContact O-CB 3.27Å; M314-S318 PolarHBondContact O-N 2.92Å; M314-S318 PolarHBondContact O-OG 3.23Å; D315-S318 WeakPolarHBondContact O-CB 3.45Å; D315-S318 PolarHBondContact O-N 2.98Å; D315-S318 VanDerWaalsContact O-N 3.13Å; S316-S318 VanDerWaalsContact C-N 3.29Å; S316-S318 PolarHBondContact O-N 2.88Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 PolarHBondContact O-N 3.21Å; S318-C321 WeakPolarHBondContact O-CB 3.44Å; S318-C321 PolarHBondContact O-N 2.99Å; S318-C321 VanDerWaalsContact O-N 3.1Å; S318-I322 WeakPolarHBondContact O-CG1 3.3Å; S318-I322 PolarHBondContact O-N 3.42Å; S318-F492 VanDerWaalsContact O-CE1 3.29Å; S318-F492 WeakPolarHBondContact O-CE1 3.37Å
319	V	97.9	Very high	96.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.9	-44.3	174.5	179.8	0	0	0	0	111.3	L308 D315 S316 C321 I322 V323 L455 G456 P480 I481	L308-V319 HydrophobicContact CD1-CB 4.07Å; L308-V319 HydrophobicContact CD1-CG1 3.76Å; L308-V319 HydrophobicContact CD2-CB 4.11Å; L308-V319 HydrophobicContact CD2-CG1 4.07Å; L308-V319 HydrophobicContact CG-CG1 4.49Å; D315-V319 PolarHBondContact O-N 3Å; D315-V319 VanDerWaalsContact O-N 3.14Å; S316-V319 PolarHBondContact O-N 2.8Å; V319-C321 VanDerWaalsContact C-N 3.3Å; V319-C321 PolarHBondContact O-N 3.29Å; V319-I322 PolarHBondContact O-N 2.84Å; V319-I322 VanDerWaalsContact O-N 3.16Å; V319-V323 PolarHBondContact O-N 2.74Å; V319-V323 VanDerWaalsContact O-N 3.12Å; V319-L455 HydrophobicContact CG1-CB 3.99Å; V319-L455 HydrophobicContact CG1-CD1 3.76Å; V319-L455 HydrophobicContact CG1-CG 4.47Å; V319-G456 WeakPolarHBondContact CG2-O 3.39Å; V319-P480 HydrophobicContact CB-CG 4.4Å; V319-P480 HydrophobicContact CG1-CG 3.77Å; V319-P480 HydrophobicContact CG2-CG 4.14Å; V319-I481 HydrophobicContact CG2-CD1 3.72Å; V319-I481 HydrophobicContact CG2-CG1 3.76Å; V319-I481 HydrophobicContact CG2-CG2 4.07Å
320	A	98.1	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.6	-40	176.3	0	0	0	0	0	112.4	L308 L310 S316 S317 S318 V323 A324 F354 L375 I379	L308-A320 HydrophobicContact CD2-CB 3.95Å; L310-A320 HydrophobicContact CD1-CB 4.29Å; S316-A320 PolarHBondContact O-N 3.28Å; S317-A320 PolarHBondContact O-N 2.88Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 PolarHBondContact O-N 3.21Å; A320-V323 PolarHBondContact O-N 2.94Å; A320-A324 WeakPolarHBondContact O-CB 3.36Å; A320-A324 PolarHBondContact O-N 2.87Å; A320-F354 HydrophobicContact CB-CE1 4.03Å; A320-F354 HydrophobicContact CB-CZ 4.13Å; A320-L375 HydrophobicContact CB-CD2 4.35Å; A320-I379 HydrophobicContact CB-CD1 4.05Å
321	C	97.2	Very high	95.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.1	-35.1	175.7	-69.6	0	0	0	0	113.1	S317 S318 V319 A324 S325 F492 L493 C496	S317-C321 PolarHBondContact O-N 3.43Å; S317-C321 PolarHBondContact O-SG 3.18Å; S318-C321 WeakPolarHBondContact O-CB 3.44Å; S318-C321 PolarHBondContact O-N 2.99Å; S318-C321 VanDerWaalsContact O-N 3.1Å; V319-C321 VanDerWaalsContact C-N 3.3Å; V319-C321 PolarHBondContact O-N 3.29Å; C321-A324 PolarHBondContact O-N 2.89Å; C321-S325 WeakPolarHBondContact O-CB 3.41Å; C321-S325 PolarHBondContact O-N 3.34Å; C321-S325 PolarHBondContact O-OG 2.92Å; C321-F492 HydrophobicContact CB-CE1 3.97Å; C321-F492 HydrophobicContact CB-CE2 4.36Å; C321-F492 HydrophobicContact CB-CZ 3.67Å; C321-L493 HydrophobicContact CB-CD2 4.34Å; C321-C496 HydrophobicContact CB-CB 4.26Å
322	I	97	Very high	95.6	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-65.9	-45.3	175.2	-61.9	176.1	0	0	0	110.3	G290 A291 L294 S318 V319 A324 S325 M326 P480 I481 F492	G290-I322 VanDerWaalsContact C-CG2 3.4Å; A291-I322 HydrophobicContact CB-CG2 4.5Å; L294-I322 HydrophobicContact CD1-CB 4.41Å; L294-I322 HydrophobicContact CD1-CG2 3.68Å; L294-I322 HydrophobicContact CG-CG2 4.39Å; S318-I322 WeakPolarHBondContact O-CG1 3.3Å; S318-I322 PolarHBondContact O-N 3.42Å; V319-I322 PolarHBondContact O-N 2.84Å; V319-I322 VanDerWaalsContact O-N 3.16Å; I322-A324 VanDerWaalsContact C-N 3.33Å; I322-A324 PolarHBondContact O-N 3.19Å; I322-S325 WeakPolarHBondContact O-CB 3.22Å; I322-S325 PolarHBondContact O-N 3.49Å; I322-M326 PolarHBondContact O-N 3.17Å; I322-P480 HydrophobicContact CD1-CB 3.94Å; I322-P480 HydrophobicContact CD1-CG 4.29Å; I322-P480 HydrophobicContact CG2-CB 4.42Å; I322-I481 HydrophobicContact CD1-CG2 3.53Å; I322-F492 HydrophobicContact CD1-CE1 4.16Å; I322-F492 HydrophobicContact CG1-CE1 3.56Å; I322-F492 HydrophobicContact CG1-CZ 3.52Å
323	V	98	Very high	95.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-40.6	176.2	-179.1	0	0	0	0	111.2	L294 F306 V319 A320 S325 M326 C327 F354 L455	L294-V323 HydrophobicContact CD1-CG2 3.8Å; F306-V323 HydrophobicContact CD2-CG1 4.16Å; V319-V323 PolarHBondContact O-N 2.74Å; V319-V323 VanDerWaalsContact O-N 3.12Å; A320-V323 PolarHBondContact O-N 2.94Å; V323-S325 VanDerWaalsContact C-N 3.35Å; V323-M326 HydrophobicContact CG1-CE 4.38Å; V323-M326 WeakPolarHBondContact O-CB 3.38Å; V323-M326 PolarHBondContact O-N 3.37Å; V323-C327 PolarHBondContact O-N 3.38Å; V323-C327 PolarHBondContact O-SG 2.93Å; V323-F354 HydrophobicContact CB-CD1 4.07Å; V323-F354 HydrophobicContact CB-CD2 4.49Å; V323-F354 HydrophobicContact CB-CE1 3.94Å; V323-F354 HydrophobicContact CB-CE2 4.38Å; V323-F354 HydrophobicContact CB-CG 4.35Å; V323-F354 HydrophobicContact CB-CZ 4.1Å; V323-F354 HydrophobicContact CG1-CB 3.93Å; V323-F354 HydrophobicContact CG1-CD1 3.64Å; V323-F354 HydrophobicContact CG1-CD2 3.89Å; V323-F354 HydrophobicContact CG1-CE1 4.03Å; V323-F354 HydrophobicContact CG1-CE2 4.26Å; V323-F354 HydrophobicContact CG1-CG 3.56Å; V323-F354 HydrophobicContact CG1-CZ 4.33Å; V323-F354 HydrophobicContact CG2-CD2 4.47Å; V323-F354 HydrophobicContact CG2-CE1 4.44Å; V323-F354 HydrophobicContact CG2-CE2 4.11Å; V323-F354 HydrophobicContact CG2-CZ 4.09Å; V323-L455 HydrophobicContact CG2-CD1 3.52Å
324	A	97.2	Very high	95	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-42.5	174.6	0	0	0	0	0	111.6	A320 C321 I322 M326 C327 H328 I379 Y502	A320-A324 WeakPolarHBondContact O-CB 3.36Å; A320-A324 PolarHBondContact O-N 2.87Å; C321-A324 PolarHBondContact O-N 2.89Å; I322-A324 VanDerWaalsContact C-N 3.33Å; I322-A324 PolarHBondContact O-N 3.19Å; A324-M326 VanDerWaalsContact C-N 3.32Å; A324-M326 PolarHBondContact O-N 3.07Å; A324-C327 WeakPolarHBondContact O-CA 3.43Å; A324-C327 WeakPolarHBondContact O-CB 3.37Å; A324-C327 PolarHBondContact O-N 2.8Å; A324-H328 PolarHBondContact O-CD2 2.97Å; A324-H328 PolarHBondContact O-N 2.85Å; A324-I379 HydrophobicContact CB-CB 4.06Å; A324-I379 HydrophobicContact CB-CG2 3.97Å; A324-Y502 HydrophobicContact CB-CE2 4.21Å
325	S	96	Very high	94.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-38.2	176.7	-56.6	0	0	0	0	111.9	E287 C321 I322 V323 C327 H328 L329	E287-S325 WeakPolarHBondContact CG-OG 3.33Å; E287-S325 WeakPolarHBondContact OE1-CB 3.47Å; E287-S325 PolarHBondContact OE1-OG 3.43Å; C321-S325 WeakPolarHBondContact O-CB 3.41Å; C321-S325 PolarHBondContact O-N 3.34Å; C321-S325 PolarHBondContact O-OG 2.92Å; I322-S325 WeakPolarHBondContact O-CB 3.22Å; I322-S325 PolarHBondContact O-N 3.49Å; V323-S325 VanDerWaalsContact C-N 3.35Å; S325-C327 VanDerWaalsContact C-N 3.33Å; S325-C327 PolarHBondContact O-N 3.1Å; S325-H328 WeakPolarHBondContact O-CB 3.31Å; S325-H328 PolarHBondContact O-N 3.38Å; S325-L329 PolarHBondContact O-N 2.87Å
326	M	96.5	Very high	93.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-43.5	169.6	-175.8	-161.3	70.9	0	0	111.6	A291 L294 W295 F306 I322 V323 A324 H328 L329 L330	A291-M326 HydrophobicContact CB-CB 3.91Å; A291-M326 WeakPolarHBondContact O-CG 3.44Å; L294-M326 HydrophobicContact CB-SD 4.06Å; W295-M326 HydrophobicContact CB-CG 3.9Å; W295-M326 HydrophobicContact CB-SD 3.97Å; W295-M326 HydrophobicContact CE3-SD 4.38Å; F306-M326 HydrophobicContact CD2-CE 4.4Å; F306-M326 HydrophobicContact CE2-CE 3.8Å; F306-M326 HydrophobicContact CE2-SD 3.92Å; I322-M326 PolarHBondContact O-N 3.17Å; V323-M326 HydrophobicContact CG1-CE 4.38Å; V323-M326 WeakPolarHBondContact O-CB 3.38Å; V323-M326 PolarHBondContact O-N 3.37Å; A324-M326 VanDerWaalsContact C-N 3.32Å; A324-M326 PolarHBondContact O-N 3.07Å; M326-H328 VanDerWaalsContact C-N 3.33Å; M326-H328 PolarHBondContact O-N 3.34Å; M326-L329 PolarHBondContact O-N 3.21Å; M326-L330 HydrophobicContact CE-CD1 4.07Å; M326-L330 HydrophobicContact CG-CD1 4.24Å; M326-L330 WeakPolarHBondContact O-CG 3.47Å; M326-L330 PolarHBondContact O-N 3.05Å
327	C	96.4	Very high	92.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-37.1	176.7	-61.6	0	0	0	0	112.2	V323 A324 S325 L330 Y331 V346 I349 C350	V323-C327 PolarHBondContact O-N 3.38Å; V323-C327 PolarHBondContact O-SG 2.93Å; A324-C327 WeakPolarHBondContact O-CA 3.43Å; A324-C327 WeakPolarHBondContact O-CB 3.37Å; A324-C327 PolarHBondContact O-N 2.8Å; S325-C327 VanDerWaalsContact C-N 3.33Å; S325-C327 PolarHBondContact O-N 3.1Å; C327-L330 PolarHBondContact O-N 2.61Å; C327-Y331 WeakPolarHBondContact O-CB 3.12Å; C327-Y331 PolarHBondContact O-N 3.25Å; C327-V346 HydrophobicContact CB-CG1 3.8Å; C327-I349 HydrophobicContact CB-CB 4.33Å; C327-I349 HydrophobicContact CB-CG2 4.13Å; C327-C350 HydrophobicContact CB-CB 4.43Å
328	H	94.7	Very high	90.6	Very high	48 Å²	48	34.7 Å²	34.7	22%	0.222	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-45	172.9	-78.7	-78.6	0	0	0	112	A324 S325 M326 L330 Y331 A332 V346 Y500 Y502	A324-H328 PolarHBondContact O-CD2 2.97Å; A324-H328 PolarHBondContact O-N 2.85Å; S325-H328 WeakPolarHBondContact O-CB 3.31Å; S325-H328 PolarHBondContact O-N 3.38Å; M326-H328 VanDerWaalsContact C-N 3.33Å; M326-H328 PolarHBondContact O-N 3.34Å; H328-L330 VanDerWaalsContact C-N 3.35Å; H328-L330 PolarHBondContact O-N 3.44Å; H328-Y331 PolarHBondContact O-N 2.97Å; H328-A332 PolarHBondContact O-N 3.44Å; H328-V346 WeakPolarHBondContact ND1-CG2 3.49Å; H328-Y500 HydrophobicContact CB-CE1 4.2Å; H328-Y500 AromaticContact CD2-CD1 3.68Å; H328-Y500 AromaticContact CD2-CE1 3.38Å; H328-Y500 WeakPolarHBondContact CD2-CE1 3.44Å; H328-Y500 AromaticContact CD2-CZ 3.67Å; H328-Y500 AromaticContact CE1-CD1 3.42Å; H328-Y500 VanDerWaalsContact CE1-CD1 3.42Å; H328-Y500 WeakPolarHBondContact CE1-CD1 3.41Å; H328-Y500 AromaticContact CE1-CE1 3.64Å; H328-Y500 AromaticContact CG-CE1 3.53Å; H328-Y500 AromaticContact ND1-CD1 3.95Å; H328-Y500 AromaticContact ND1-CE1 3.7Å; H328-Y500 AromaticContact NE2-CD1 3.23Å; H328-Y500 WeakPolarHBondContact NE2-CD1 3.42Å; H328-Y500 AromaticContact NE2-CE1 3.46Å; H328-Y500 WeakPolarHBondContact NE2-CE1 3.39Å; H328-Y500 AromaticContact NE2-CG 3.7Å; H328-Y502 AromaticContact NE2-CZ 3.9Å; H328-Y502 PolarHBondContact NE2-OH 3.22Å
329	L	92.6	Very high	89.3	Confident	35 Å²	35	38.4 Å²	38.4	18%	0.183	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-42.7	175.5	-70	178.1	0	0	0	111.8	L250 F288 A291 S325 M326 A332 A333	L250-L329 HydrophobicContact CD1-CB 3.77Å; L250-L329 HydrophobicContact CD2-CB 4.29Å; L250-L329 HydrophobicContact CD2-CD1 4.15Å; L250-L329 HydrophobicContact CG-CB 4.08Å; F288-L329 HydrophobicContact CD1-CD1 4.02Å; F288-L329 HydrophobicContact CD1-CD2 3.79Å; F288-L329 HydrophobicContact CD1-CG 4.12Å; F288-L329 HydrophobicContact CE1-CD2 3.76Å; F288-L329 HydrophobicContact CE1-CG 4.34Å; A291-L329 HydrophobicContact CB-CD1 3.94Å; S325-L329 PolarHBondContact O-N 2.87Å; M326-L329 PolarHBondContact O-N 3.21Å; L329-A332 PolarHBondContact O-N 2.9Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 3.09Å
330	L	93.2	Very high	87.9	Confident	15 Å²	15	47.9 Å²	47.9	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-45.2	177.4	-75.4	168.2	0	0	0	111.9	L250 W295 M326 C327 H328 A332 A333 C334 I349 L353	L250-L330 HydrophobicContact CD1-CB 4.46Å; L250-L330 HydrophobicContact CD1-CD2 3.64Å; L250-L330 HydrophobicContact CD1-CG 3.9Å; W295-L330 HydrophobicContact CD2-CD2 3.78Å; W295-L330 HydrophobicContact CD2-CG 4.49Å; W295-L330 HydrophobicContact CE3-CD1 3.78Å; W295-L330 HydrophobicContact CE3-CD2 3.7Å; W295-L330 HydrophobicContact CE3-CG 4.2Å; W295-L330 HydrophobicContact CH2-CD2 3.62Å; W295-L330 HydrophobicContact CZ2-CD2 3.7Å; W295-L330 HydrophobicContact CZ3-CD1 3.83Å; W295-L330 HydrophobicContact CZ3-CD2 3.62Å; W295-L330 HydrophobicContact CZ3-CG 4.35Å; M326-L330 HydrophobicContact CE-CD1 4.07Å; M326-L330 HydrophobicContact CG-CD1 4.24Å; M326-L330 WeakPolarHBondContact O-CG 3.47Å; M326-L330 PolarHBondContact O-N 3.05Å; C327-L330 PolarHBondContact O-N 2.61Å; H328-L330 VanDerWaalsContact C-N 3.35Å; H328-L330 PolarHBondContact O-N 3.44Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-A332 PolarHBondContact O-N 3.23Å; L330-A333 PolarHBondContact O-N 3.15Å; L330-A333 VanDerWaalsContact O-N 3.13Å; L330-C334 WeakPolarHBondContact O-CB 3.16Å; L330-C334 PolarHBondContact O-N 3.42Å; L330-C334 PolarHBondContact O-SG 3.02Å; L330-C334 VanDerWaalsContact O-SG 3.35Å; L330-I349 HydrophobicContact CB-CD1 3.99Å; L330-I349 HydrophobicContact CB-CG2 4.45Å; L330-I349 HydrophobicContact CD1-CG2 4.11Å; L330-L353 HydrophobicContact CD1-CD1 4.29Å
331	Y	93.8	Very high	86.9	Confident	69 Å²	69	52.1 Å²	52.1	27%	0.271	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-46.3	176.7	-176.2	-103.6	0	0	0	111.4	C327 H328 A333 C334 N335 P343 E344 V346 I349	C327-Y331 WeakPolarHBondContact O-CB 3.12Å; C327-Y331 PolarHBondContact O-N 3.25Å; H328-Y331 PolarHBondContact O-N 2.97Å; Y331-A333 VanDerWaalsContact C-N 3.31Å; Y331-A333 PolarHBondContact O-N 2.87Å; Y331-C334 PolarHBondContact O-N 3.05Å; Y331-N335 WeakPolarHBondContact CE1-ND2 3.47Å; Y331-N335 VanDerWaalsContact CZ-ND2 3.3Å; Y331-N335 PolarHBondContact O-N 3.43Å; Y331-N335 VanDerWaalsContact O-N 3.14Å; Y331-N335 PolarHBondContact O-ND2 3.03Å; Y331-P343 HydrophobicContact CD2-CB 4.3Å; Y331-P343 HydrophobicContact CD2-CG 3.91Å; Y331-P343 HydrophobicContact CE2-CG 4.4Å; Y331-P343 WeakPolarHBondContact CE2-O 3.32Å; Y331-E344 WeakPolarHBondContact CE2-O 3.17Å; Y331-E344 PolarHBondContact OH-O 3.45Å; Y331-V346 HydrophobicContact CD1-CG2 3.79Å; Y331-V346 HydrophobicContact CD2-CG2 4.31Å; Y331-V346 HydrophobicContact CG-CG2 3.66Å; Y331-I349 HydrophobicContact CD2-CD1 4.27Å
332	A	90.6	Very high	86.2	Confident	40 Å²	40	59.7 Å²	59.7	33%	0.331	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-38.3	175.5	0	0	0	0	0	112.4	H328 L329 L330 R336	H328-A332 PolarHBondContact O-N 3.44Å; L329-A332 PolarHBondContact O-N 2.9Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-A332 PolarHBondContact O-N 3.23Å; A332-R336 VanDerWaalsContact O-CG 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.3Å; A332-R336 PolarHBondContact O-N 3.1Å
333	A	88	Confident	85.8	Confident	24 Å²	24	60 Å²	60	20%	0.198	31%	0.305	C	S	.	.	H	α-helix	trans	-70.7	-43.9	177.7	0	0	0	0	0	112.9	L250 L329 L330 Y331 N335 R336 N337	L250-A333 HydrophobicContact CD1-CB 4.26Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 3.09Å; L330-A333 PolarHBondContact O-N 3.15Å; L330-A333 VanDerWaalsContact O-N 3.13Å; Y331-A333 VanDerWaalsContact C-N 3.31Å; Y331-A333 PolarHBondContact O-N 2.87Å; A333-N335 VanDerWaalsContact C-N 3.29Å; A333-N335 PolarHBondContact O-N 3.13Å; A333-R336 PolarHBondContact O-N 3.4Å; A333-R336 VanDerWaalsContact O-N 3.13Å; A333-N337 PolarHBondContact O-N 2.97Å
334	C	86.8	Confident	85.4	Confident	17 Å²	17	68 Å²	68	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-42.4	176.2	-73.5	0	0	0	0	111.6	L330 Y331 R336 P343	L330-C334 WeakPolarHBondContact O-CB 3.16Å; L330-C334 PolarHBondContact O-N 3.42Å; L330-C334 PolarHBondContact O-SG 3.02Å; L330-C334 VanDerWaalsContact O-SG 3.35Å; Y331-C334 PolarHBondContact O-N 3.05Å; C334-R336 VanDerWaalsContact C-N 3.29Å; C334-R336 PolarHBondContact O-N 3.41Å; C334-P343 HydrophobicContact CB-CG 4.15Å
335	N	83.2	Confident	85.3	Confident	93 Å²	93	69.8 Å²	69.8	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-69.9	-23.5	179.4	-72.6	-22.4	0	0	0	113.6	Y331 A333	Y331-N335 WeakPolarHBondContact CE1-ND2 3.47Å; Y331-N335 VanDerWaalsContact CZ-ND2 3.3Å; Y331-N335 PolarHBondContact O-N 3.43Å; Y331-N335 VanDerWaalsContact O-N 3.14Å; Y331-N335 PolarHBondContact O-ND2 3.03Å; A333-N335 VanDerWaalsContact C-N 3.29Å; A333-N335 PolarHBondContact O-N 3.13Å
336	R	81	Confident	85.2	Confident	209 Å²	209	70.8 Å²	70.8	79%	0.789	36%	0.361	S	S	*	.	H	α-helix	trans	-87.2	-38.8	177.8	-71.8	174.6	-175	-174.8	2.1	113.2	A332 A333 C334	A332-R336 VanDerWaalsContact O-CG 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.3Å; A332-R336 PolarHBondContact O-N 3.1Å; A333-R336 PolarHBondContact O-N 3.4Å; A333-R336 VanDerWaalsContact O-N 3.13Å; C334-R336 VanDerWaalsContact C-N 3.29Å; C334-R336 PolarHBondContact O-N 3.41Å
337	N	68.4	Low	85.2	Confident	114 Å²	114	77.2 Å²	77.2	61%	0.61	39%	0.385	S	S	*	.	H	α-helix	trans	-98.3	3.7	-165.4	-68.6	-20.4	0	0	0	114.9	A333 I339	A333-N337 PolarHBondContact O-N 2.97Å; N337-I339 VanDerWaalsContact C-N 3.29Å; N337-I339 HydrophobicContact CB-CD1 4.44Å; N337-I339 HydrophobicContact CB-CG1 4.09Å; N337-I339 PolarHBondContact O-N 2.92Å
338	G	60.4	Low	85	Confident	63 Å²	63	79.6 Å²	79.6	65%	0.649	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	33.4	175	0	0	0	0	0	114.2
339	I	67.8	Low	85	Confident	78 Å²	78	77.7 Å²	77.7	40%	0.4	39%	0.39	S	S	.	.			trans	-65.8	146	-179.8	-51.6	177.4	0	0	0	109.5	N337 F341	N337-I339 VanDerWaalsContact C-N 3.29Å; N337-I339 HydrophobicContact CB-CD1 4.44Å; N337-I339 HydrophobicContact CB-CG1 4.09Å; N337-I339 PolarHBondContact O-N 2.92Å; I339-F341 PolarHBondContact O-N 2.8Å
340	E	68.3	Low	85.3	Confident	199 Å²	199	76 Å²	76	93%	0.93	38%	0.381	S	S	*	.	S	Bend	trans	-56.5	-38.9	179.9	-170.8	178.5	-173.9	0	0	112.2	K342	E340-K342 PolarHBondContact O-N 2.95Å
341	F	77.4	Confident	85.4	Confident	89 Å²	89	81.7 Å²	81.7	39%	0.39	41%	0.405	S	S	.	.			trans	-79.6	110.9	170.3	-177.3	-109.3	0	0	0	110.9	I339 P343	I339-F341 PolarHBondContact O-N 2.8Å; F341-P343 HydrophobicContact CD1-CG 4.46Å; F341-P343 HydrophobicContact CE1-CB 3.85Å; F341-P343 HydrophobicContact CE1-CG 4.08Å; F341-P343 HydrophobicContact CZ-CB 4.17Å; F341-P343 WeakPolarHBondContact O-CD 3.46Å
342	K	83.2	Confident	85.4	Confident	158 Å²	158	84.8 Å²	84.8	69%	0.687	42%	0.416	S	S	*	.			trans	-107.9	95.3	174.8	-65.7	-175.7	-178.7	179.1	0	109.9	E340	E340-K342 PolarHBondContact O-N 2.95Å
343	P	88.6	Confident	85.7	Confident	7 Å²	7	84.5 Å²	84.5	5%	0.045	41%	0.409	C	S	.	.			trans	-64.6	138.1	173.1	25.9	-30.5	0	0	0	109.8	Y331 C334 F341 D348 I349	Y331-P343 HydrophobicContact CD2-CB 4.3Å; Y331-P343 HydrophobicContact CD2-CG 3.91Å; Y331-P343 HydrophobicContact CE2-CG 4.4Å; Y331-P343 WeakPolarHBondContact CE2-O 3.32Å; C334-P343 HydrophobicContact CB-CG 4.15Å; F341-P343 HydrophobicContact CD1-CG 4.46Å; F341-P343 HydrophobicContact CE1-CB 3.85Å; F341-P343 HydrophobicContact CE1-CG 4.08Å; F341-P343 HydrophobicContact CZ-CB 4.17Å; F341-P343 WeakPolarHBondContact O-CD 3.46Å; P343-D348 HydrophobicContact CB-CB 4.45Å; P343-I349 HydrophobicContact CB-CD1 4.06Å; P343-I349 HydrophobicContact CB-CG1 3.56Å; P343-I349 HydrophobicContact CG-CD1 3.68Å; P343-I349 HydrophobicContact CG-CG1 3.75Å
344	E	89.9	Confident	86.2	Confident	169 Å²	169	83.4 Å²	83.4	79%	0.79	40%	0.399	S	S	*	.	S	Bend	trans	-71.5	-37.7	177.7	-58.1	-179.5	169.9	0	0	110.5	Y331 D348	Y331-E344 WeakPolarHBondContact CE2-O 3.17Å; Y331-E344 PolarHBondContact OH-O 3.45Å; E344-D348 WeakPolarHBondContact CB-OD2 3.09Å; E344-D348 PolarHBondContact N-OD2 2.99Å
345	S	93.7	Very high	86.8	Confident	39 Å²	39	82.8 Å²	82.8	27%	0.273	40%	0.395	S	S	.	.	S	Bend	trans	-141.4	166.1	-179.7	71.9	0	0	0	0	112.7	R347 D348	S345-R347 PolarHBondContact O-N 3.47Å; S345-R347 PolarHBondContact OG-N 2.99Å; S345-D348 WeakPolarHBondContact CB-OD2 3.11Å; S345-D348 PolarHBondContact N-OD2 2.91Å; S345-D348 PolarHBondContact O-N 3.26Å; S345-D348 PolarHBondContact OG-N 2.9Å; S345-D348 PolarHBondContact OG-OD2 3.45Å
346	V	94.8	Very high	87.5	Confident	20 Å²	20	78.4 Å²	78.4	12%	0.121	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-36.1	170.2	178.3	0	0	0	0	111.3	C327 H328 Y331 D348 I349 C350	C327-V346 HydrophobicContact CB-CG1 3.8Å; H328-V346 WeakPolarHBondContact ND1-CG2 3.49Å; Y331-V346 HydrophobicContact CD1-CG2 3.79Å; Y331-V346 HydrophobicContact CD2-CG2 4.31Å; Y331-V346 HydrophobicContact CG-CG2 3.66Å; V346-D348 VanDerWaalsContact C-N 3.27Å; V346-D348 PolarHBondContact O-N 3.5Å; V346-I349 WeakPolarHBondContact O-CB 3.47Å; V346-I349 PolarHBondContact O-N 3.25Å; V346-C350 PolarHBondContact O-N 3.18Å
347	R	95.5	Very high	88.3	Confident	135 Å²	135	68.5 Å²	68.5	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-30.8	180	-63	177.6	78.2	-159.5	4.7	111.7	S345 C350 K351 E377	S345-R347 PolarHBondContact O-N 3.47Å; S345-R347 PolarHBondContact OG-N 2.99Å; R347-C350 PolarHBondContact O-N 3.44Å; R347-K351 VanDerWaalsContact O-CB 3.27Å; R347-K351 WeakPolarHBondContact O-CB 3.25Å; R347-K351 PolarHBondContact O-N 3.15Å; R347-E377 PolarHBondContact NE-O 2.78Å; R347-E377 PolarHBondContact NH2-O 3.44Å
348	D	93.6	Very high	89.7	Confident	50 Å²	50	63.4 Å²	63.4	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-68.4	-36	176.6	-61.2	-52.6	0	0	0	112.6	P343 E344 S345 V346 R352	P343-D348 HydrophobicContact CB-CB 4.45Å; E344-D348 WeakPolarHBondContact CB-OD2 3.09Å; E344-D348 PolarHBondContact N-OD2 2.99Å; S345-D348 WeakPolarHBondContact CB-OD2 3.11Å; S345-D348 PolarHBondContact N-OD2 2.91Å; S345-D348 PolarHBondContact O-N 3.26Å; S345-D348 PolarHBondContact OG-N 2.9Å; S345-D348 PolarHBondContact OG-OD2 3.45Å; V346-D348 VanDerWaalsContact C-N 3.27Å; V346-D348 PolarHBondContact O-N 3.5Å; D348-R352 WeakPolarHBondContact O-CD 3.48Å; D348-R352 VanDerWaalsContact O-CG 3.29Å; D348-R352 WeakPolarHBondContact O-CG 3.27Å; D348-R352 PolarHBondContact O-N 3.07Å
349	I	95.4	Very high	91.5	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.046	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-50.8	172.6	-56	179.1	0	0	0	109	C327 L330 Y331 P343 V346 K351 R352 L353	C327-I349 HydrophobicContact CB-CB 4.33Å; C327-I349 HydrophobicContact CB-CG2 4.13Å; L330-I349 HydrophobicContact CB-CD1 3.99Å; L330-I349 HydrophobicContact CB-CG2 4.45Å; L330-I349 HydrophobicContact CD1-CG2 4.11Å; Y331-I349 HydrophobicContact CD2-CD1 4.27Å; P343-I349 HydrophobicContact CB-CD1 4.06Å; P343-I349 HydrophobicContact CB-CG1 3.56Å; P343-I349 HydrophobicContact CG-CD1 3.68Å; P343-I349 HydrophobicContact CG-CG1 3.75Å; V346-I349 WeakPolarHBondContact O-CB 3.47Å; V346-I349 PolarHBondContact O-N 3.25Å; I349-K351 VanDerWaalsContact C-N 3.35Å; I349-K351 PolarHBondContact O-N 2.9Å; I349-R352 PolarHBondContact O-N 3.11Å; I349-R352 VanDerWaalsContact O-N 3.15Å; I349-L353 HydrophobicContact CG2-CD1 3.81Å; I349-L353 PolarHBondContact O-N 2.58Å; I349-L353 VanDerWaalsContact O-N 3.12Å
350	C	96.9	Very high	92.8	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-46.2	-177.8	-154.9	0	0	0	0	111.4	C327 V346 R347 R352 L353 F354 G380	C327-C350 HydrophobicContact CB-CB 4.43Å; V346-C350 PolarHBondContact O-N 3.18Å; R347-C350 PolarHBondContact O-N 3.44Å; C350-R352 VanDerWaalsContact C-N 3.25Å; C350-R352 PolarHBondContact O-N 3.25Å; C350-L353 PolarHBondContact O-N 3.09Å; C350-F354 WeakPolarHBondContact O-CA 3.02Å; C350-F354 WeakPolarHBondContact O-CB 3.29Å; C350-F354 PolarHBondContact O-N 3.43Å; C350-G380 CarbonylContact C-O 3.57Å
351	K	96.1	Very high	93.9	Very high	133 Å²	133	48.9 Å²	48.9	58%	0.578	22%	0.224	S	C	*	.	H	α-helix	trans	-58.8	-34.9	178.9	-174.7	176.6	180	178.2	0	113.1	R347 I349 G380 T382	R347-K351 VanDerWaalsContact O-CB 3.27Å; R347-K351 WeakPolarHBondContact O-CB 3.25Å; R347-K351 PolarHBondContact O-N 3.15Å; I349-K351 VanDerWaalsContact C-N 3.35Å; I349-K351 PolarHBondContact O-N 2.9Å; K351-G380 WeakPolarHBondContact CA-O 3.13Å; K351-G380 WeakPolarHBondContact CB-O 3.23Å; K351-G380 PolarHBondContact N-O 2.85Å; K351-T382 PolarHBondContact O-OG1 3.45Å
352	R	94.4	Very high	94.5	Very high	134 Å²	134	50.8 Å²	50.8	51%	0.506	23%	0.234	S	C	.	.	H	α-helix	trans	-79.2	-34.3	-178.3	-72.5	171.8	-176.2	-106	0.8	112.8	D348 I349 C350 R448	D348-R352 WeakPolarHBondContact O-CD 3.48Å; D348-R352 VanDerWaalsContact O-CG 3.29Å; D348-R352 WeakPolarHBondContact O-CG 3.27Å; D348-R352 PolarHBondContact O-N 3.07Å; I349-R352 PolarHBondContact O-N 3.11Å; I349-R352 VanDerWaalsContact O-N 3.15Å; C350-R352 VanDerWaalsContact C-N 3.25Å; C350-R352 PolarHBondContact O-N 3.25Å; R352-R448 PolarHBondContact O-NH1 3.11Å; R352-R448 VanDerWaalsContact O-NH1 3.1Å; R352-R448 PolarHBondContact O-NH2 2.84Å
353	L	96.7	Very high	94.8	Very high	35 Å²	35	46 Å²	46	18%	0.183	21%	0.212	C	C	.	.	H	α-helix	trans	-106.3	-19	-170.3	-63.7	-179.5	0	0	0	114	L298 G305 F306 L330 I349 C350	L298-L353 HydrophobicContact CD2-CD1 4.39Å; G305-L353 CarbonylContact C-O 3.59Å; G305-L353 WeakPolarHBondContact CA-O 3.15Å; F306-L353 PolarHBondContact N-O 3.29Å; L330-L353 HydrophobicContact CD1-CD1 4.29Å; I349-L353 HydrophobicContact CG2-CD1 3.81Å; I349-L353 PolarHBondContact O-N 2.58Å; I349-L353 VanDerWaalsContact O-N 3.12Å; C350-L353 PolarHBondContact O-N 3.09Å
354	F	98.3	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.6	-169.1	-169.4	-151.9	0	0	0	113	F306 L308 A320 V323 C350 T356 I379 A381 T382 L455	F306-F354 HydrophobicContact CB-CD2 3.95Å; F306-F354 HydrophobicContact CB-CE2 4.39Å; L308-F354 HydrophobicContact CB-CE2 3.57Å; L308-F354 HydrophobicContact CB-CZ 3.87Å; L308-F354 HydrophobicContact CD2-CE2 4.28Å; L308-F354 HydrophobicContact CD2-CZ 3.71Å; L308-F354 HydrophobicContact CG-CZ 4.46Å; A320-F354 HydrophobicContact CB-CE1 4.03Å; A320-F354 HydrophobicContact CB-CZ 4.13Å; V323-F354 HydrophobicContact CB-CD1 4.07Å; V323-F354 HydrophobicContact CB-CD2 4.49Å; V323-F354 HydrophobicContact CB-CE1 3.94Å; V323-F354 HydrophobicContact CB-CE2 4.38Å; V323-F354 HydrophobicContact CB-CG 4.35Å; V323-F354 HydrophobicContact CB-CZ 4.1Å; V323-F354 HydrophobicContact CG1-CB 3.93Å; V323-F354 HydrophobicContact CG1-CD1 3.64Å; V323-F354 HydrophobicContact CG1-CD2 3.89Å; V323-F354 HydrophobicContact CG1-CE1 4.03Å; V323-F354 HydrophobicContact CG1-CE2 4.26Å; V323-F354 HydrophobicContact CG1-CG 3.56Å; V323-F354 HydrophobicContact CG1-CZ 4.33Å; V323-F354 HydrophobicContact CG2-CD2 4.47Å; V323-F354 HydrophobicContact CG2-CE1 4.44Å; V323-F354 HydrophobicContact CG2-CE2 4.11Å; V323-F354 HydrophobicContact CG2-CZ 4.09Å; C350-F354 WeakPolarHBondContact O-CA 3.02Å; C350-F354 WeakPolarHBondContact O-CB 3.29Å; C350-F354 PolarHBondContact O-N 3.43Å; F354-T356 HydrophobicContact CD1-CG2 4.28Å; F354-T356 HydrophobicContact CD2-CG2 4.44Å; F354-T356 HydrophobicContact CE1-CG2 3.77Å; F354-T356 HydrophobicContact CE2-CG2 3.96Å; F354-T356 HydrophobicContact CZ-CG2 3.6Å; F354-I379 HydrophobicContact CD1-CD1 4.01Å; F354-I379 HydrophobicContact CE1-CD1 3.64Å; F354-A381 HydrophobicContact CB-CB 4.38Å; F354-A381 HydrophobicContact CD1-CB 3.61Å; F354-A381 HydrophobicContact CE1-CB 4.2Å; F354-A381 HydrophobicContact CG-CB 4.14Å; F354-T382 PolarHBondContact O-N 2.86Å; F354-L455 HydrophobicContact CE2-CD1 4.37Å
355	F	98.5	Very high	94.8	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.1	-178.7	-58.3	-93.7	0	0	0	109.8	F306 L307 L308 F357 T382 F384 T442 L443 L452	F306-F355 PolarHBondContact O-N 2.99Å; L307-F355 CarbonylContact C-O 3.2Å; L307-F355 WeakPolarHBondContact CA-O 3.46Å; L308-F355 PolarHBondContact N-O 3.35Å; F355-F357 HydrophobicContact CB-CE2 4.04Å; F355-T382 CarbonylContact C-O 3.37Å; F355-T382 VanDerWaalsContact CA-O 3.31Å; F355-T382 WeakPolarHBondContact CA-O 3.5Å; F355-T382 HydrophobicContact CD1-CG2 3.87Å; F355-T382 HydrophobicContact CE1-CG2 4.09Å; F355-F384 HydrophobicContact CD1-CE2 4.12Å; F355-T442 HydrophobicContact CD1-CG2 3.48Å; F355-T442 VanDerWaalsContact CD1-CG2 3.48Å; F355-T442 HydrophobicContact CE1-CG2 3.7Å; F355-T442 HydrophobicContact CG-CG2 4Å; F355-T442 HydrophobicContact CZ-CG2 4.39Å; F355-L443 HydrophobicContact CE2-CD2 3.75Å; F355-L443 HydrophobicContact CZ-CD2 3.52Å; F355-L452 HydrophobicContact CB-CD1 4.07Å; F355-L452 HydrophobicContact CD2-CD1 3.42Å; F355-L452 VanDerWaalsContact CD2-CD1 3.42Å; F355-L452 HydrophobicContact CD2-CD2 3.67Å; F355-L452 HydrophobicContact CD2-CG 4.22Å; F355-L452 HydrophobicContact CE2-CD1 4.03Å; F355-L452 HydrophobicContact CE2-CD2 3.65Å; F355-L452 HydrophobicContact CG-CD1 3.84Å
356	T	98.6	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.8	-178.6	59.1	0	0	0	0	110.4	L308 L310 F354 S376 A381 T382 H383 F384	L308-T356 WeakPolarHBondContact O-CA 3.25Å; L310-T356 HydrophobicContact CB-CG2 4.45Å; L310-T356 HydrophobicContact CD2-CG2 4.17Å; F354-T356 HydrophobicContact CD1-CG2 4.28Å; F354-T356 HydrophobicContact CD2-CG2 4.44Å; F354-T356 HydrophobicContact CE1-CG2 3.77Å; F354-T356 HydrophobicContact CE2-CG2 3.96Å; F354-T356 HydrophobicContact CZ-CG2 3.6Å; T356-S376 PolarHBondContact OG1-OG 2.96Å; T356-A381 HydrophobicContact CG2-CB 3.88Å; T356-T382 PolarHBondContact N-O 3.4Å; T356-H383 CarbonylContact O-C 3.59Å; T356-H383 WeakPolarHBondContact O-CA 3.36Å; T356-H383 PolarHBondContact O-ND1 2.79Å; T356-H383 PolarHBondContact OG1-ND1 2.85Å; T356-F384 PolarHBondContact O-N 3.03Å
357	F	98.2	Very high	94.5	Very high	1 Å²	1	51 Å²	51	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115	-178	-74.6	-97.3	0	0	0	110.4	L307 L308 P309 L310 F355 F384 L386 F438 T442	L307-F357 HydrophobicContact CD1-CD2 3.62Å; L307-F357 HydrophobicContact CD1-CE2 3.38Å; L307-F357 HydrophobicContact CD1-CZ 4.21Å; L307-F357 HydrophobicContact CD2-CD2 4.24Å; L307-F357 HydrophobicContact CG-CD2 3.71Å; L307-F357 HydrophobicContact CG-CE2 3.89Å; L308-F357 PolarHBondContact O-N 3.02Å; P309-F357 CarbonylContact C-O 3.52Å; P309-F357 WeakPolarHBondContact CA-O 3.49Å; L310-F357 PolarHBondContact N-O 3.16Å; F355-F357 HydrophobicContact CB-CE2 4.04Å; F357-F384 CarbonylContact C-O 3.54Å; F357-F384 WeakPolarHBondContact CA-O 3.4Å; F357-F384 HydrophobicContact CD1-CB 3.6Å; F357-F384 HydrophobicContact CD1-CD2 4.13Å; F357-F384 HydrophobicContact CD1-CG 4.16Å; F357-F384 HydrophobicContact CD2-CD2 4.35Å; F357-F384 HydrophobicContact CE1-CB 3.6Å; F357-F384 AromaticContact CE1-CD2 3.54Å; F357-F384 HydrophobicContact CE1-CD2 3.54Å; F357-F384 HydrophobicContact CE1-CE2 4.34Å; F357-F384 AromaticContact CE1-CG 3.66Å; F357-F384 HydrophobicContact CE1-CG 3.66Å; F357-F384 AromaticContact CE2-CD2 3.77Å; F357-F384 HydrophobicContact CE2-CD2 3.77Å; F357-F384 HydrophobicContact CE2-CE2 4.23Å; F357-F384 HydrophobicContact CG-CB 4.32Å; F357-F384 HydrophobicContact CZ-CB 4.3Å; F357-F384 AromaticContact CZ-CD2 3.33Å; F357-F384 HydrophobicContact CZ-CD2 3.33Å; F357-F384 AromaticContact CZ-CE2 3.78Å; F357-F384 HydrophobicContact CZ-CE2 3.78Å; F357-F384 AromaticContact CZ-CG 3.95Å; F357-F384 HydrophobicContact CZ-CG 3.95Å; F357-L386 HydrophobicContact CD1-CD1 3.45Å; F357-L386 VanDerWaalsContact CD1-CD1 3.45Å; F357-L386 HydrophobicContact CD1-CG 4.18Å; F357-L386 HydrophobicContact CE1-CD1 3.9Å; F357-F438 HydrophobicContact CD1-CD2 4.22Å; F357-F438 HydrophobicContact CD1-CG 4.2Å; F357-F438 HydrophobicContact CE1-CB 3.94Å; F357-F438 AromaticContact CE1-CD1 3.48Å; F357-F438 HydrophobicContact CE1-CD1 3.48Å; F357-F438 VanDerWaalsContact CE1-CD1 3.48Å; F357-F438 AromaticContact CE1-CD2 3.89Å; F357-F438 HydrophobicContact CE1-CD2 3.89Å; F357-F438 AromaticContact CE1-CE1 3.92Å; F357-F438 HydrophobicContact CE1-CE1 3.92Å; F357-F438 HydrophobicContact CE1-CE2 4.32Å; F357-F438 AromaticContact CE1-CG 3.48Å; F357-F438 HydrophobicContact CE1-CG 3.48Å; F357-F438 VanDerWaalsContact CE1-CG 3.48Å; F357-F438 HydrophobicContact CE1-CZ 4.33Å; F357-F438 HydrophobicContact CE2-CB 4.1Å; F357-F438 HydrophobicContact CZ-CB 3.66Å; F357-F438 AromaticContact CZ-CD1 3.65Å; F357-F438 HydrophobicContact CZ-CD1 3.65Å; F357-F438 HydrophobicContact CZ-CD2 4.48Å; F357-F438 HydrophobicContact CZ-CE1 4.45Å; F357-F438 AromaticContact CZ-CG 3.68Å; F357-F438 HydrophobicContact CZ-CG 3.68Å; F357-T442 HydrophobicContact CZ-CG2 4.47Å
358	Y	98	Very high	94.4	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.9	166.7	-175.5	-97.3	0	0	0	109.5	L310 S311 S364 S368 E369 A372 F384 T385 L386	L310-Y358 WeakPolarHBondContact O-CA 3.48Å; L310-Y358 VanDerWaalsContact O-CD2 3.25Å; L310-Y358 WeakPolarHBondContact O-CD2 3.4Å; S311-Y358 WeakPolarHBondContact O-CE2 3.31Å; Y358-S364 WeakPolarHBondContact OH-CB 3.41Å; Y358-S368 PolarHBondContact OH-OG 3.48Å; Y358-E369 HydrophobicContact CD1-CB 4.02Å; Y358-E369 HydrophobicContact CD1-CG 3.71Å; Y358-E369 HydrophobicContact CE1-CB 3.42Å; Y358-E369 VanDerWaalsContact CE1-CB 3.42Å; Y358-E369 HydrophobicContact CE1-CG 3.58Å; Y358-E369 HydrophobicContact CE2-CB 4.34Å; Y358-E369 HydrophobicContact CG-CG 4.43Å; Y358-E369 VanDerWaalsContact CZ-CA 3.46Å; Y358-E369 PolarHBondContact OH-N 3.5Å; Y358-A372 HydrophobicContact CD2-CB 3.63Å; Y358-A372 HydrophobicContact CE2-CB 4.41Å; Y358-A372 HydrophobicContact CG-CB 4.22Å; Y358-F384 PolarHBondContact N-O 3.2Å; Y358-T385 HydrophobicContact CD1-CG2 4.22Å; Y358-T385 WeakPolarHBondContact O-CA 3.49Å; Y358-L386 PolarHBondContact O-N 3.16Å
359	M	97.4	Very high	94.5	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.054	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	87.8	-175.2	-69.9	179.9	-81.5	0	0	110.7	P309 L386 I388 R431 L434 A435	P309-M359 HydrophobicContact CB-CE 3.59Å; P309-M359 HydrophobicContact CG-CE 4.03Å; M359-L386 CarbonylContact C-O 3.55Å; M359-L386 VanDerWaalsContact CA-O 3.3Å; M359-L386 WeakPolarHBondContact CA-O 3.5Å; M359-I388 HydrophobicContact CB-CG2 3.87Å; M359-I388 HydrophobicContact CG-CG2 4.47Å; M359-R431 HydrophobicContact CB-CG 3.8Å; M359-R431 HydrophobicContact CE-CB 3.69Å; M359-R431 HydrophobicContact CE-CG 4.19Å; M359-R431 WeakPolarHBondContact CE-O 3.2Å; M359-R431 PolarHBondContact O-NE 3.48Å; M359-R431 HydrophobicContact SD-CB 3.78Å; M359-R431 HydrophobicContact SD-CG 3.99Å; M359-R431 VanDerWaalsContact SD-O 3.39Å; M359-L434 HydrophobicContact SD-CB 3.9Å; M359-L434 HydrophobicContact SD-CD1 4.36Å; M359-A435 HydrophobicContact CE-CB 4.42Å
360	S	94.9	Very high	94.5	Very high	17 Å²	17	46.9 Å²	46.9	12%	0.119	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.4	-171.3	65.3	0	0	0	0	112	L386 P387 I388	S360-L386 PolarHBondContact N-O 3.1Å; S360-P387 WeakPolarHBondContact OG-CA 3.45Å; S360-I388 WeakPolarHBondContact O-CG1 3.46Å; S360-I388 PolarHBondContact O-N 2.99Å
361	G	92	Very high	94.4	Very high	7 Å²	7	47 Å²	47	7%	0.072	23%	0.228	C	C	.	.			trans	-92.4	-178.1	168.2	0	0	0	0	0	111.9	Y363 S364 N389	G361-Y363 VanDerWaalsContact C-N 3.26Å; G361-Y363 PolarHBondContact O-N 3.38Å; G361-S364 PolarHBondContact N-OG 3.4Å; G361-S364 PolarHBondContact O-N 2.92Å; G361-N389 VanDerWaalsContact C-OD1 3.31Å; G361-N389 WeakPolarHBondContact CA-OD1 3.33Å
362	E	89.4	Confident	94.5	Very high	129 Å²	129	40.6 Å²	40.6	60%	0.603	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.5	178.7	-169.7	178	144.5	0	0	113.1	N389	E362-N389 PolarHBondContact N-OD1 3.29Å
363	Y	89.4	Confident	94.6	Very high	57 Å²	57	39.2 Å²	39.2	22%	0.224	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	6.5	-175.9	-46.6	-57.7	0	0	0	113.7	G361 S365 F410 P519	G361-Y363 VanDerWaalsContact C-N 3.26Å; G361-Y363 PolarHBondContact O-N 3.38Å; Y363-S365 PolarHBondContact O-N 3.36Å; Y363-F410 HydrophobicContact CD2-CZ 4.47Å; Y363-F410 HydrophobicContact CE2-CD2 4.14Å; Y363-F410 HydrophobicContact CE2-CE1 4.34Å; Y363-F410 AromaticContact CE2-CE2 3.45Å; Y363-F410 HydrophobicContact CE2-CE2 3.45Å; Y363-F410 VanDerWaalsContact CE2-CE2 3.45Å; Y363-F410 AromaticContact CE2-CZ 3.57Å; Y363-F410 HydrophobicContact CE2-CZ 3.57Å; Y363-F410 AromaticContact CZ-CE2 3.8Å; Y363-F410 VanDerWaalsContact OH-CE2 3.29Å; Y363-F410 WeakPolarHBondContact OH-CE2 3.14Å; Y363-P519 HydrophobicContact CD1-CB 4.18Å; Y363-P519 HydrophobicContact CE1-CB 3.93Å
364	S	89.8	Confident	94.7	Very high	30 Å²	30	40.6 Å²	40.6	21%	0.21	21%	0.205	C	C	.	.			trans	-63.1	132.9	176	-72.9	0	0	0	0	110.7	Y358 G361	Y358-S364 WeakPolarHBondContact OH-CB 3.41Å; G361-S364 PolarHBondContact N-OG 3.4Å; G361-S364 PolarHBondContact O-N 2.92Å
365	S	89.2	Confident	94.6	Very high	37 Å²	37	40.6 Å²	40.6	26%	0.259	21%	0.205	S	C	.	.			trans	-79	152.1	179.7	71	0	0	0	0	112.1	Y363 Q367 S368 E369 E516	Y363-S365 PolarHBondContact O-N 3.36Å; S365-Q367 PolarHBondContact O-N 3.12Å; S365-S368 PolarHBondContact N-OG 3.35Å; S365-S368 PolarHBondContact O-N 3Å; S365-S368 PolarHBondContact O-OG 2.79Å; S365-S368 PolarHBondContact OG-N 2.9Å; S365-S368 PolarHBondContact OG-OG 3.13Å; S365-E369 PolarHBondContact O-N 3.41Å; S365-E516 WeakPolarHBondContact CB-OE1 3.31Å; S365-E516 PolarHBondContact N-OE2 3.1Å; S365-E516 PolarHBondContact OG-OE1 2.92Å
366	Q	91.4	Very high	94.6	Very high	178 Å²	178	40.4 Å²	40.4	83%	0.832	20%	0.204	S	C	*	.	H	α-helix	trans	-62.2	-27	171.5	-68.8	-179.4	-2.9	0	0	111.6	A370	Q366-A370 VanDerWaalsContact O-CB 3.23Å; Q366-A370 WeakPolarHBondContact O-CB 3.21Å; Q366-A370 PolarHBondContact O-N 3.41Å
367	Q	91.7	Very high	94.5	Very high	95 Å²	95	44.9 Å²	44.9	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-71	-45.1	-179.7	-173.8	64.7	57.6	0	0	112.1	S365 E369 A370 N371 M511	S365-Q367 PolarHBondContact O-N 3.12Å; Q367-E369 VanDerWaalsContact C-N 3.35Å; Q367-A370 PolarHBondContact O-N 3.08Å; Q367-N371 PolarHBondContact NE2-OD1 3.35Å; Q367-N371 WeakPolarHBondContact O-CB 3.11Å; Q367-N371 PolarHBondContact O-N 3.4Å; Q367-N371 PolarHBondContact O-OD1 3.5Å; Q367-M511 HydrophobicContact CG-CE 4.5Å; Q367-M511 HydrophobicContact CG-SD 4.03Å
368	S	92.4	Very high	94.4	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.028	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-40.7	177.8	49.2	0	0	0	0	111.3	Y358 S365 N371 A372 E516	Y358-S368 PolarHBondContact OH-OG 3.48Å; S365-S368 PolarHBondContact N-OG 3.35Å; S365-S368 PolarHBondContact O-N 3Å; S365-S368 PolarHBondContact O-OG 2.79Å; S365-S368 PolarHBondContact OG-N 2.9Å; S365-S368 PolarHBondContact OG-OG 3.13Å; S368-N371 PolarHBondContact O-N 2.98Å; S368-A372 PolarHBondContact O-N 3.43Å; S368-E516 PolarHBondContact OG-OE2 2.81Å
369	E	95	Very high	94.3	Very high	68 Å²	68	47.1 Å²	47.1	32%	0.318	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-50	173.1	-173.8	173.4	163.8	0	0	112.1	Y358 S365 Q367 N371 A372 K373 T385	Y358-E369 HydrophobicContact CD1-CB 4.02Å; Y358-E369 HydrophobicContact CD1-CG 3.71Å; Y358-E369 HydrophobicContact CE1-CB 3.42Å; Y358-E369 VanDerWaalsContact CE1-CB 3.42Å; Y358-E369 HydrophobicContact CE1-CG 3.58Å; Y358-E369 HydrophobicContact CE2-CB 4.34Å; Y358-E369 HydrophobicContact CG-CG 4.43Å; Y358-E369 VanDerWaalsContact CZ-CA 3.46Å; Y358-E369 PolarHBondContact OH-N 3.5Å; S365-E369 PolarHBondContact O-N 3.41Å; Q367-E369 VanDerWaalsContact C-N 3.35Å; E369-N371 VanDerWaalsContact C-N 3.3Å; E369-N371 PolarHBondContact O-N 2.9Å; E369-A372 PolarHBondContact O-N 2.87Å; E369-K373 PolarHBondContact O-N 2.88Å; E369-T385 WeakPolarHBondContact OE1-CG2 3.42Å
370	A	95.9	Very high	94.3	Very high	37 Å²	37	47 Å²	47	31%	0.306	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-42.2	178.7	0	0	0	0	0	111.5	Q366 Q367 K373 I374	Q366-A370 VanDerWaalsContact O-CB 3.23Å; Q366-A370 WeakPolarHBondContact O-CB 3.21Å; Q366-A370 PolarHBondContact O-N 3.41Å; Q367-A370 PolarHBondContact O-N 3.08Å; A370-K373 PolarHBondContact O-N 3.01Å; A370-I374 HydrophobicContact CB-CD1 4.48Å; A370-I374 WeakPolarHBondContact O-CB 3.5Å; A370-I374 WeakPolarHBondContact O-CD1 3.32Å; A370-I374 WeakPolarHBondContact O-CG1 3.34Å; A370-I374 PolarHBondContact O-N 2.74Å
371	N	96.1	Very high	94.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-44.3	177.8	-74.8	-4.2	0	0	0	112.3	Q367 S368 E369 K373 L375 N507 V508 M511	Q367-N371 PolarHBondContact NE2-OD1 3.35Å; Q367-N371 WeakPolarHBondContact O-CB 3.11Å; Q367-N371 PolarHBondContact O-N 3.4Å; Q367-N371 PolarHBondContact O-OD1 3.5Å; S368-N371 PolarHBondContact O-N 2.98Å; E369-N371 VanDerWaalsContact C-N 3.3Å; E369-N371 PolarHBondContact O-N 2.9Å; N371-K373 VanDerWaalsContact C-N 3.33Å; N371-K373 PolarHBondContact O-N 3.27Å; N371-L375 WeakPolarHBondContact O-CB 3.17Å; N371-L375 PolarHBondContact O-N 3.45Å; N371-N507 VanDerWaalsContact OD1-CB 3.32Å; N371-N507 WeakPolarHBondContact OD1-CB 3.46Å; N371-V508 HydrophobicContact CB-CG2 4.2Å; N371-M511 PolarHBondContact ND2-SD 3.12Å
372	A	96.9	Very high	94.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-43.4	177.1	0	0	0	0	0	111.7	L310 Y358 S368 E369 S376	L310-A372 HydrophobicContact CD2-CB 3.94Å; L310-A372 WeakPolarHBondContact CD2-O 3.43Å; L310-A372 HydrophobicContact CG-CB 3.91Å; Y358-A372 HydrophobicContact CD2-CB 3.63Å; Y358-A372 HydrophobicContact CE2-CB 4.41Å; Y358-A372 HydrophobicContact CG-CB 4.22Å; S368-A372 PolarHBondContact O-N 3.43Å; E369-A372 PolarHBondContact O-N 2.87Å; A372-S376 WeakPolarHBondContact O-CB 3.22Å; A372-S376 PolarHBondContact O-N 2.86Å; A372-S376 VanDerWaalsContact O-N 3.08Å; A372-S376 PolarHBondContact O-OG 3.36Å
373	K	97.5	Very high	95.1	Very high	105 Å²	105	44.1 Å²	44.1	46%	0.457	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-54.9	178.9	-178.2	178.3	176	-177.1	0	112.1	E369 A370 N371 L375 S376 E377	E369-K373 PolarHBondContact O-N 2.88Å; A370-K373 PolarHBondContact O-N 3.01Å; N371-K373 VanDerWaalsContact C-N 3.33Å; N371-K373 PolarHBondContact O-N 3.27Å; K373-L375 VanDerWaalsContact C-N 3.32Å; K373-L375 PolarHBondContact O-N 3.12Å; K373-S376 WeakPolarHBondContact O-CB 3.26Å; K373-S376 PolarHBondContact O-N 3.48Å; K373-S376 VanDerWaalsContact O-N 3.12Å; K373-E377 WeakPolarHBondContact CE-OE1 3.35Å; K373-E377 WeakPolarHBondContact O-CG 3.39Å; K373-E377 PolarHBondContact O-N 2.96Å
374	I	97.3	Very high	95.5	Very high	64 Å²	64	44.5 Å²	44.5	33%	0.328	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-40.4	-176.5	-58.7	164.1	0	0	0	110.2	A370 S376 E377 D378	A370-I374 HydrophobicContact CB-CD1 4.48Å; A370-I374 WeakPolarHBondContact O-CB 3.5Å; A370-I374 WeakPolarHBondContact O-CD1 3.32Å; A370-I374 WeakPolarHBondContact O-CG1 3.34Å; A370-I374 PolarHBondContact O-N 2.74Å; I374-S376 VanDerWaalsContact C-N 3.33Å; I374-S376 PolarHBondContact O-N 2.68Å; I374-E377 WeakPolarHBondContact O-CB 3.37Å; I374-E377 PolarHBondContact O-N 2.95Å; I374-D378 PolarHBondContact O-N 2.85Å
375	L	97.7	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-41.5	175.1	178.4	60.3	0	0	0	112.2	L310 S317 A320 N371 K373 E377 D378 I379 S504 L505	L310-L375 HydrophobicContact CD1-CD2 4.45Å; S317-L375 WeakPolarHBondContact OG-CD2 3.47Å; A320-L375 HydrophobicContact CB-CD2 4.35Å; N371-L375 WeakPolarHBondContact O-CB 3.17Å; N371-L375 PolarHBondContact O-N 3.45Å; K373-L375 VanDerWaalsContact C-N 3.32Å; K373-L375 PolarHBondContact O-N 3.12Å; L375-E377 VanDerWaalsContact C-N 3.27Å; L375-E377 PolarHBondContact O-N 3.19Å; L375-D378 PolarHBondContact O-N 2.8Å; L375-I379 HydrophobicContact CD1-CG2 4.08Å; L375-I379 WeakPolarHBondContact O-CG1 3.07Å; L375-I379 PolarHBondContact O-N 3.41Å; L375-I379 VanDerWaalsContact O-N 3.1Å; L375-S504 WeakPolarHBondContact CA-OG 3.39Å; L375-L505 HydrophobicContact CD1-CD2 3.65Å; L375-L505 HydrophobicContact CD1-CG 4.14Å; L375-L505 HydrophobicContact CD2-CD2 4.11Å
376	S	97.8	Very high	96.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-36.4	176.6	-59.9	0	0	0	0	111.8	L310 T356 A372 K373 I374 I379 G380 A381 H383	L310-S376 WeakPolarHBondContact CD2-OG 3.28Å; T356-S376 PolarHBondContact OG1-OG 2.96Å; A372-S376 WeakPolarHBondContact O-CB 3.22Å; A372-S376 PolarHBondContact O-N 2.86Å; A372-S376 VanDerWaalsContact O-N 3.08Å; A372-S376 PolarHBondContact O-OG 3.36Å; K373-S376 WeakPolarHBondContact O-CB 3.26Å; K373-S376 PolarHBondContact O-N 3.48Å; K373-S376 VanDerWaalsContact O-N 3.12Å; I374-S376 VanDerWaalsContact C-N 3.33Å; I374-S376 PolarHBondContact O-N 2.68Å; S376-I379 WeakPolarHBondContact O-CG1 3.37Å; S376-G380 PolarHBondContact O-N 2.93Å; S376-A381 PolarHBondContact O-N 2.82Å; S376-H383 PolarHBondContact OG-ND1 2.93Å
377	E	96.9	Very high	96.3	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.444	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-46.4	174.4	-70.2	170.5	-179.5	0	0	111.7	R347 K373 I374 L375 I379 G380	R347-E377 PolarHBondContact NE-O 2.78Å; R347-E377 PolarHBondContact NH2-O 3.44Å; K373-E377 WeakPolarHBondContact CE-OE1 3.35Å; K373-E377 WeakPolarHBondContact O-CG 3.39Å; K373-E377 PolarHBondContact O-N 2.96Å; I374-E377 WeakPolarHBondContact O-CB 3.37Å; I374-E377 PolarHBondContact O-N 2.95Å; L375-E377 VanDerWaalsContact C-N 3.27Å; L375-E377 PolarHBondContact O-N 3.19Å; E377-I379 PolarHBondContact O-N 3.13Å; E377-G380 PolarHBondContact O-N 2.93Å
378	D	95.7	Very high	96.6	Very high	53 Å²	53	37.3 Å²	37.3	28%	0.283	20%	0.202	S	C	.	.	H	α-helix	trans	-55.4	-47.7	177.5	-82.3	-6.7	0	0	0	111.6	I374 L375 Y502 A503 S504	I374-D378 PolarHBondContact O-N 2.85Å; L375-D378 PolarHBondContact O-N 2.8Å; D378-Y502 HydrophobicContact CB-CD1 4Å; D378-A503 PolarHBondContact OD2-N 3.03Å; D378-S504 WeakPolarHBondContact OD2-CB 3.26Å; D378-S504 PolarHBondContact OD2-N 3.44Å; D378-S504 VanDerWaalsContact OD2-N 3.09Å; D378-S504 PolarHBondContact OD2-OG 2.96Å
379	I	96.5	Very high	96.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-80.3	-23.5	-178.5	70.5	-172.2	0	0	0	113.1	A320 A324 F354 L375 S376 E377 A381 Y502	A320-I379 HydrophobicContact CB-CD1 4.05Å; A324-I379 HydrophobicContact CB-CB 4.06Å; A324-I379 HydrophobicContact CB-CG2 3.97Å; F354-I379 HydrophobicContact CD1-CD1 4.01Å; F354-I379 HydrophobicContact CE1-CD1 3.64Å; L375-I379 HydrophobicContact CD1-CG2 4.08Å; L375-I379 WeakPolarHBondContact O-CG1 3.07Å; L375-I379 PolarHBondContact O-N 3.41Å; L375-I379 VanDerWaalsContact O-N 3.1Å; S376-I379 WeakPolarHBondContact O-CG1 3.37Å; E377-I379 PolarHBondContact O-N 3.13Å; I379-A381 HydrophobicContact CD1-CB 3.89Å; I379-A381 HydrophobicContact CG1-CB 3.89Å; I379-Y502 HydrophobicContact CG2-CD1 4.35Å; I379-Y502 HydrophobicContact CG2-CD2 4.2Å; I379-Y502 HydrophobicContact CG2-CE1 4.07Å; I379-Y502 HydrophobicContact CG2-CE2 3.92Å; I379-Y502 HydrophobicContact CG2-CG 4.41Å
380	G	97	Very high	96.8	Very high	10 Å²	10	39.2 Å²	39.2	10%	0.103	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	26	-177.3	0	0	0	0	0	115	C350 K351 S376 E377	C350-G380 CarbonylContact C-O 3.57Å; K351-G380 WeakPolarHBondContact CA-O 3.13Å; K351-G380 WeakPolarHBondContact CB-O 3.23Å; K351-G380 PolarHBondContact N-O 2.85Å; S376-G380 PolarHBondContact O-N 2.93Å; E377-G380 PolarHBondContact O-N 2.93Å
381	A	98	Very high	96.8	Very high	13 Å²	13	40 Å²	40	11%	0.107	23%	0.229	C	C	.	.			trans	-76.6	155	175.6	0	0	0	0	0	112	F354 T356 S376 I379 H383	F354-A381 HydrophobicContact CB-CB 4.38Å; F354-A381 HydrophobicContact CD1-CB 3.61Å; F354-A381 HydrophobicContact CE1-CB 4.2Å; F354-A381 HydrophobicContact CG-CB 4.14Å; T356-A381 HydrophobicContact CG2-CB 3.88Å; S376-A381 PolarHBondContact O-N 2.82Å; I379-A381 HydrophobicContact CD1-CB 3.89Å; I379-A381 HydrophobicContact CG1-CB 3.89Å; A381-H383 PolarHBondContact O-N 2.96Å
382	T	97.6	Very high	96.9	Very high	35 Å²	35	40.8 Å²	40.8	22%	0.215	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	107.7	170.9	-60.5	0	0	0	0	109.3	K351 F354 F355 T356 F384	K351-T382 PolarHBondContact O-OG1 3.45Å; F354-T382 PolarHBondContact O-N 2.86Å; F355-T382 CarbonylContact C-O 3.37Å; F355-T382 VanDerWaalsContact CA-O 3.31Å; F355-T382 WeakPolarHBondContact CA-O 3.5Å; F355-T382 HydrophobicContact CD1-CG2 3.87Å; F355-T382 HydrophobicContact CE1-CG2 4.09Å; T356-T382 PolarHBondContact N-O 3.4Å; T382-F384 HydrophobicContact CG2-CE2 3.67Å; T382-F384 HydrophobicContact CG2-CZ 3.8Å
383	H	97.9	Very high	96.8	Very high	43 Å²	43	43.9 Å²	43.9	20%	0.199	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140	-172.3	-170.3	59.8	0	0	0	113.6	T356 S376 A381	T356-H383 CarbonylContact O-C 3.59Å; T356-H383 WeakPolarHBondContact O-CA 3.36Å; T356-H383 PolarHBondContact O-ND1 2.79Å; T356-H383 PolarHBondContact OG1-ND1 2.85Å; S376-H383 PolarHBondContact OG-ND1 2.93Å; A381-H383 PolarHBondContact O-N 2.96Å
384	F	97.6	Very high	96.8	Very high	66 Å²	66	41 Å²	41	29%	0.289	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.5	172.5	-58.5	-88.5	0	0	0	111	F355 T356 F357 Y358 T382 T442	F355-F384 HydrophobicContact CD1-CE2 4.12Å; T356-F384 PolarHBondContact O-N 3.03Å; F357-F384 CarbonylContact C-O 3.54Å; F357-F384 WeakPolarHBondContact CA-O 3.4Å; F357-F384 HydrophobicContact CD1-CB 3.6Å; F357-F384 HydrophobicContact CD1-CD2 4.13Å; F357-F384 HydrophobicContact CD1-CG 4.16Å; F357-F384 HydrophobicContact CD2-CD2 4.35Å; F357-F384 HydrophobicContact CE1-CB 3.6Å; F357-F384 AromaticContact CE1-CD2 3.54Å; F357-F384 HydrophobicContact CE1-CD2 3.54Å; F357-F384 HydrophobicContact CE1-CE2 4.34Å; F357-F384 AromaticContact CE1-CG 3.66Å; F357-F384 HydrophobicContact CE1-CG 3.66Å; F357-F384 AromaticContact CE2-CD2 3.77Å; F357-F384 HydrophobicContact CE2-CD2 3.77Å; F357-F384 HydrophobicContact CE2-CE2 4.23Å; F357-F384 HydrophobicContact CG-CB 4.32Å; F357-F384 HydrophobicContact CZ-CB 4.3Å; F357-F384 AromaticContact CZ-CD2 3.33Å; F357-F384 HydrophobicContact CZ-CD2 3.33Å; F357-F384 AromaticContact CZ-CE2 3.78Å; F357-F384 HydrophobicContact CZ-CE2 3.78Å; F357-F384 AromaticContact CZ-CG 3.95Å; F357-F384 HydrophobicContact CZ-CG 3.95Å; Y358-F384 PolarHBondContact N-O 3.2Å; T382-F384 HydrophobicContact CG2-CE2 3.67Å; T382-F384 HydrophobicContact CG2-CZ 3.8Å; F384-T442 HydrophobicContact CE2-CG2 4.25Å
385	T	97.1	Very high	96.8	Very high	57 Å²	57	43 Å²	43	35%	0.35	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.7	169.9	-62.7	0	0	0	0	109.2	Y358 E369	Y358-T385 HydrophobicContact CD1-CG2 4.22Å; Y358-T385 WeakPolarHBondContact O-CA 3.49Å; E369-T385 WeakPolarHBondContact OE1-CG2 3.42Å
386	L	94.7	Very high	96.7	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.194	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	121.9	-176	-56.3	171.9	0	0	0	111.3	F357 Y358 M359 S360 F438	F357-L386 HydrophobicContact CD1-CD1 3.45Å; F357-L386 VanDerWaalsContact CD1-CD1 3.45Å; F357-L386 HydrophobicContact CD1-CG 4.18Å; F357-L386 HydrophobicContact CE1-CD1 3.9Å; Y358-L386 PolarHBondContact O-N 3.16Å; M359-L386 CarbonylContact C-O 3.55Å; M359-L386 VanDerWaalsContact CA-O 3.3Å; M359-L386 WeakPolarHBondContact CA-O 3.5Å; S360-L386 PolarHBondContact N-O 3.1Å; L386-F438 HydrophobicContact CD1-CD2 3.82Å; L386-F438 HydrophobicContact CD1-CE1 4.44Å; L386-F438 HydrophobicContact CD1-CE2 3.19Å; L386-F438 HydrophobicContact CD1-CZ 3.56Å; L386-F438 HydrophobicContact CD2-CZ 4.12Å; L386-F438 HydrophobicContact CG-CE2 4.49Å
387	P	96.2	Very high	96.5	Very high	94 Å²	94	51.8 Å²	51.8	61%	0.61	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	131.8	172.2	30.2	-33	0	0	0	111.7	S360	S360-P387 WeakPolarHBondContact OG-CA 3.45Å
388	I	96.9	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.303	C	S	.	.			trans	-95.1	-11.3	-179.9	67.2	166.7	0	0	0	113.9	M359 S360 G390 V391 V392 Q427 V430 R431 L434	M359-I388 HydrophobicContact CB-CG2 3.87Å; M359-I388 HydrophobicContact CG-CG2 4.47Å; S360-I388 WeakPolarHBondContact O-CG1 3.46Å; S360-I388 PolarHBondContact O-N 2.99Å; I388-G390 VanDerWaalsContact C-N 3.27Å; I388-G390 PolarHBondContact O-N 2.8Å; I388-G390 VanDerWaalsContact O-N 3.17Å; I388-V391 PolarHBondContact O-N 2.7Å; I388-V392 HydrophobicContact CB-CG2 4.45Å; I388-V392 HydrophobicContact CD1-CG2 4Å; I388-V392 HydrophobicContact CG1-CG2 4.13Å; I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 2.87Å; I388-Q427 HydrophobicContact CD1-CB 4.07Å; I388-Q427 HydrophobicContact CD1-CG 4.43Å; I388-V430 HydrophobicContact CB-CG1 4.12Å; I388-V430 HydrophobicContact CG2-CG1 4.42Å; I388-R431 HydrophobicContact CD1-CG 4.02Å; I388-R431 HydrophobicContact CG2-CG 4.33Å; I388-L434 HydrophobicContact CG2-CD1 3.7Å
389	N	95.8	Very high	96.5	Very high	54 Å²	54	54.7 Å²	54.7	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-37	-168.9	-62.6	-16.9	0	0	0	113.1	G361 E362 V391 V392 T393	G361-N389 VanDerWaalsContact C-OD1 3.31Å; G361-N389 WeakPolarHBondContact CA-OD1 3.33Å; E362-N389 PolarHBondContact N-OD1 3.29Å; N389-V391 PolarHBondContact O-N 2.52Å; N389-V392 PolarHBondContact O-N 3.1Å; N389-T393 VanDerWaalsContact O-CB 3.27Å; N389-T393 WeakPolarHBondContact O-CB 3.46Å; N389-T393 PolarHBondContact O-N 2.83Å; N389-T393 PolarHBondContact O-OG1 3.31Å
390	G	96.4	Very high	96.5	Very high	58 Å²	58	55.4 Å²	55.4	60%	0.598	32%	0.319	S	S	*	.	H	α-helix	trans	-62.6	-41.3	176.2	0	0	0	0	0	112.8	I388 A394	I388-G390 VanDerWaalsContact C-N 3.27Å; I388-G390 PolarHBondContact O-N 2.8Å; I388-G390 VanDerWaalsContact O-N 3.17Å; G390-A394 PolarHBondContact O-N 2.87Å
391	V	96.5	Very high	96.4	Very high	55 Å²	55	59 Å²	59	33%	0.333	35%	0.347	S	S	.	.	H	α-helix	trans	-70.9	-44.3	178.4	-174.9	0	0	0	0	110.7	I388 N389 T393 A394 F395 V430	I388-V391 PolarHBondContact O-N 2.7Å; N389-V391 PolarHBondContact O-N 2.52Å; V391-T393 VanDerWaalsContact C-N 3.33Å; V391-T393 PolarHBondContact O-N 2.83Å; V391-A394 WeakPolarHBondContact O-CB 3.18Å; V391-A394 PolarHBondContact O-N 3.48Å; V391-F395 HydrophobicContact CG1-CD1 4.45Å; V391-F395 HydrophobicContact CG1-CE1 4.13Å; V391-F395 WeakPolarHBondContact O-CD1 3.41Å; V391-F395 PolarHBondContact O-N 3.34Å; V391-V430 HydrophobicContact CB-CG1 3.91Å; V391-V430 HydrophobicContact CG1-CG1 3.69Å; V391-V430 HydrophobicContact CG1-CG2 4.16Å
392	V	96.6	Very high	96.2	Very high	16 Å²	16	64.4 Å²	64.4	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-45.4	175.9	174.8	0	0	0	0	110.6	I388 N389 A394 F395 L396 V426 Q427 V430	I388-V392 HydrophobicContact CB-CG2 4.45Å; I388-V392 HydrophobicContact CD1-CG2 4Å; I388-V392 HydrophobicContact CG1-CG2 4.13Å; I388-V392 WeakPolarHBondContact O-CG2 3.48Å; I388-V392 PolarHBondContact O-N 2.87Å; N389-V392 PolarHBondContact O-N 3.1Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.24Å; V392-F395 PolarHBondContact O-N 2.8Å; V392-L396 HydrophobicContact CG1-CD1 4.22Å; V392-L396 WeakPolarHBondContact O-CG 3.17Å; V392-L396 PolarHBondContact O-N 3.26Å; V392-V426 HydrophobicContact CG1-CG1 4.26Å; V392-Q427 HydrophobicContact CG1-CG 4.19Å; V392-Q427 HydrophobicContact CG2-CG 4.03Å; V392-V430 HydrophobicContact CG2-CB 4.37Å; V392-V430 HydrophobicContact CG2-CG1 4.37Å; V392-V430 HydrophobicContact CG2-CG2 4.2Å
393	T	96.3	Very high	96.1	Very high	65 Å²	65	64.1 Å²	64.1	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-40.9	176.3	-61.1	0	0	0	0	111.6	N389 V391 F395 L396 K397	N389-T393 VanDerWaalsContact O-CB 3.27Å; N389-T393 WeakPolarHBondContact O-CB 3.46Å; N389-T393 PolarHBondContact O-N 2.83Å; N389-T393 PolarHBondContact O-OG1 3.31Å; V391-T393 VanDerWaalsContact C-N 3.33Å; V391-T393 PolarHBondContact O-N 2.83Å; T393-F395 VanDerWaalsContact C-N 3.35Å; T393-F395 PolarHBondContact O-N 3.09Å; T393-L396 PolarHBondContact O-N 3.4Å; T393-K397 HydrophobicContact CG2-CD 4.21Å; T393-K397 HydrophobicContact CG2-CG 4.43Å; T393-K397 WeakPolarHBondContact O-CB 3.38Å; T393-K397 WeakPolarHBondContact O-CG 3.07Å; T393-K397 PolarHBondContact O-N 3.3Å
394	A	96.8	Very high	95.8	Very high	46 Å²	46	70.3 Å²	70.3	38%	0.38	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-44.1	176.2	0	0	0	0	0	111.5	G390 V391 V392 L396 K397 T398	G390-A394 PolarHBondContact O-N 2.87Å; V391-A394 WeakPolarHBondContact O-CB 3.18Å; V391-A394 PolarHBondContact O-N 3.48Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.24Å; A394-L396 PolarHBondContact O-N 3.5Å; A394-K397 PolarHBondContact O-N 3.36Å; A394-T398 PolarHBondContact O-N 3.14Å; A394-T398 PolarHBondContact O-OG1 3.08Å; A394-T398 VanDerWaalsContact O-OG1 3.14Å
395	F	96	Very high	95.5	Very high	104 Å²	104	69.8 Å²	69.8	46%	0.456	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-43.4	177.2	-79.9	27.4	0	0	0	111.7	V391 V392 T393 T398 F399 V426 V430	V391-F395 HydrophobicContact CG1-CD1 4.45Å; V391-F395 HydrophobicContact CG1-CE1 4.13Å; V391-F395 WeakPolarHBondContact O-CD1 3.41Å; V391-F395 PolarHBondContact O-N 3.34Å; V392-F395 PolarHBondContact O-N 2.8Å; T393-F395 VanDerWaalsContact C-N 3.35Å; T393-F395 PolarHBondContact O-N 3.09Å; F395-T398 PolarHBondContact O-N 3.3Å; F395-F399 PolarHBondContact O-N 2.83Å; F395-V426 HydrophobicContact CB-CG1 4.3Å; F395-V426 HydrophobicContact CD2-CG1 4.16Å; F395-V430 HydrophobicContact CD2-CG2 3.96Å; F395-V430 HydrophobicContact CE2-CG2 3.78Å; F395-V430 HydrophobicContact CZ-CG2 4.26Å
396	L	95.6	Very high	95.3	Very high	40 Å²	40	76 Å²	76	21%	0.209	44%	0.437	C	S	.	.	H	α-helix	trans	-65.7	-36.8	177.4	-66.3	177.8	0	0	0	112.3	V392 T393 A394 F399 A400 L407 P408 L423	V392-L396 HydrophobicContact CG1-CD1 4.22Å; V392-L396 WeakPolarHBondContact O-CG 3.17Å; V392-L396 PolarHBondContact O-N 3.26Å; T393-L396 PolarHBondContact O-N 3.4Å; A394-L396 PolarHBondContact O-N 3.5Å; L396-F399 WeakPolarHBondContact O-CB 3.41Å; L396-F399 PolarHBondContact O-N 2.78Å; L396-A400 WeakPolarHBondContact O-CB 3.22Å; L396-A400 PolarHBondContact O-N 3.27Å; L396-L407 HydrophobicContact CB-CD2 4.12Å; L396-P408 HydrophobicContact CD2-CG 4.22Å; L396-L423 HydrophobicContact CD1-CD2 3.99Å; L396-L423 HydrophobicContact CD2-CD2 3.85Å
397	K	95.6	Very high	95.3	Very high	145 Å²	145	79 Å²	79	63%	0.63	45%	0.453	S	S	*	.	H	α-helix	trans	-63.4	-42.6	172.9	-76.7	177.1	177.4	179.2	0	111.8	T393 A394 F399 A400 A401	T393-K397 HydrophobicContact CG2-CD 4.21Å; T393-K397 HydrophobicContact CG2-CG 4.43Å; T393-K397 WeakPolarHBondContact O-CB 3.38Å; T393-K397 WeakPolarHBondContact O-CG 3.07Å; T393-K397 PolarHBondContact O-N 3.3Å; A394-K397 PolarHBondContact O-N 3.36Å; K397-F399 VanDerWaalsContact C-N 3.33Å; K397-F399 PolarHBondContact O-N 2.9Å; K397-A400 PolarHBondContact O-N 3.12Å; K397-A401 PolarHBondContact O-N 3Å; K397-A401 VanDerWaalsContact O-N 3.07Å
398	T	95.9	Very high	95.3	Very high	99 Å²	99	75.8 Å²	75.8	61%	0.607	43%	0.432	S	S	*	.	H	α-helix	trans	-61.3	-42.1	174	-57	0	0	0	0	111.4	A394 F395 A401	A394-T398 PolarHBondContact O-N 3.14Å; A394-T398 PolarHBondContact O-OG1 3.08Å; A394-T398 VanDerWaalsContact O-OG1 3.14Å; F395-T398 PolarHBondContact O-N 3.3Å; T398-A401 PolarHBondContact O-N 2.75Å
399	F	96.3	Very high	95.2	Very high	110 Å²	110	78.3 Å²	78.3	48%	0.482	45%	0.45	S	S	.	.	H	α-helix	trans	-62.5	-44.1	174.1	176.5	-95.9	0	0	0	112.3	F395 L396 K397 A401 V402 S403 R406	F395-F399 PolarHBondContact O-N 2.83Å; L396-F399 WeakPolarHBondContact O-CB 3.41Å; L396-F399 PolarHBondContact O-N 2.78Å; K397-F399 VanDerWaalsContact C-N 3.33Å; K397-F399 PolarHBondContact O-N 2.9Å; F399-A401 VanDerWaalsContact C-N 3.27Å; F399-A401 PolarHBondContact O-N 2.97Å; F399-V402 PolarHBondContact O-N 3.21Å; F399-S403 WeakPolarHBondContact CE1-OG 3.5Å; F399-S403 WeakPolarHBondContact O-CB 2.94Å; F399-S403 PolarHBondContact O-N 3.04Å; F399-S403 PolarHBondContact O-OG 3.37Å; F399-R406 WeakPolarHBondContact CE1-O 3Å
400	A	95.4	Very high	95.1	Very high	17 Å²	17	76.8 Å²	76.8	14%	0.14	44%	0.44	C	S	.	.	H	α-helix	trans	-59.4	-36.8	178.5	0	0	0	0	0	112.5	L396 K397 V402 S403 G405 L407	L396-A400 WeakPolarHBondContact O-CB 3.22Å; L396-A400 PolarHBondContact O-N 3.27Å; K397-A400 PolarHBondContact O-N 3.12Å; A400-V402 VanDerWaalsContact C-N 3.26Å; A400-V402 PolarHBondContact O-N 2.95Å; A400-S403 VanDerWaalsContact CA-OG 3.31Å; A400-S403 WeakPolarHBondContact CA-OG 3.49Å; A400-S403 PolarHBondContact O-N 3.19Å; A400-G405 WeakPolarHBondContact O-CA 3.31Å; A400-G405 PolarHBondContact O-N 3.12Å; A400-L407 HydrophobicContact CB-CD2 3.82Å; A400-L407 HydrophobicContact CB-CG 4.2Å
401	A	95.2	Very high	94.9	Very high	85 Å²	85	77.7 Å²	77.7	70%	0.702	43%	0.43	S	S	*	.	H	α-helix	trans	-60.8	-33.7	178.7	0	0	0	0	0	113	K397 T398 F399	K397-A401 PolarHBondContact O-N 3Å; K397-A401 VanDerWaalsContact O-N 3.07Å; T398-A401 PolarHBondContact O-N 2.75Å; F399-A401 VanDerWaalsContact C-N 3.27Å; F399-A401 PolarHBondContact O-N 2.97Å
402	V	95	Very high	94.5	Very high	127 Å²	127	77.7 Å²	77.7	77%	0.77	44%	0.436	S	S	*	.	H	α-helix	trans	-92.5	-30.2	179.8	-177.9	0	0	0	0	112.1	F399 A400 Q404	F399-V402 PolarHBondContact O-N 3.21Å; A400-V402 VanDerWaalsContact C-N 3.26Å; A400-V402 PolarHBondContact O-N 2.95Å; V402-Q404 VanDerWaalsContact C-N 3.26Å; V402-Q404 PolarHBondContact O-N 3.01Å
403	S	94.2	Very high	94.1	Very high	28 Å²	28	80.4 Å²	80.4	20%	0.196	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	21	-176.6	59	0	0	0	0	114.2	F399 A400 G405 R406	F399-S403 WeakPolarHBondContact CE1-OG 3.5Å; F399-S403 WeakPolarHBondContact O-CB 2.94Å; F399-S403 PolarHBondContact O-N 3.04Å; F399-S403 PolarHBondContact O-OG 3.37Å; A400-S403 VanDerWaalsContact CA-OG 3.31Å; A400-S403 WeakPolarHBondContact CA-OG 3.49Å; A400-S403 PolarHBondContact O-N 3.19Å; S403-G405 VanDerWaalsContact C-N 3.3Å; S403-G405 PolarHBondContact O-N 3.03Å; S403-R406 WeakPolarHBondContact O-CB 3.2Å; S403-R406 WeakPolarHBondContact O-CG 3.4Å; S403-R406 PolarHBondContact O-N 3.34Å; S403-R406 PolarHBondContact OG-O 3.49Å
404	Q	92.4	Very high	93.9	Very high	173 Å²	173	80.9 Å²	80.9	81%	0.808	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	41	-179.1	-56.4	175	-4.2	0	0	112.7	V402 R406	V402-Q404 VanDerWaalsContact C-N 3.26Å; V402-Q404 PolarHBondContact O-N 3.01Å; Q404-R406 VanDerWaalsContact C-N 3.28Å; Q404-R406 PolarHBondContact O-N 3.28Å
405	G	90.9	Very high	93.8	Very high	55 Å²	55	79.2 Å²	79.2	57%	0.567	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	2.1	179.4	0	0	0	0	0	115	A400 S403	A400-G405 WeakPolarHBondContact O-CA 3.31Å; A400-G405 PolarHBondContact O-N 3.12Å; S403-G405 VanDerWaalsContact C-N 3.3Å; S403-G405 PolarHBondContact O-N 3.03Å
406	R	93.3	Very high	93.7	Very high	187 Å²	187	77.9 Å²	77.9	71%	0.706	47%	0.466	S	S	*	.			trans	-73.1	129.9	177.1	-65.2	-178.2	-177.9	177.2	2.1	110.7	F399 S403 Q404	F399-R406 WeakPolarHBondContact CE1-O 3Å; S403-R406 WeakPolarHBondContact O-CB 3.2Å; S403-R406 WeakPolarHBondContact O-CG 3.4Å; S403-R406 PolarHBondContact O-N 3.34Å; S403-R406 PolarHBondContact OG-O 3.49Å; Q404-R406 VanDerWaalsContact C-N 3.28Å; Q404-R406 PolarHBondContact O-N 3.28Å
407	L	94.4	Very high	93.6	Very high	100 Å²	100	84.4 Å²	84.4	52%	0.524	49%	0.488	S	S	.	.			trans	-117.2	137.3	175.1	-75.9	169.8	0	0	0	110	L396 A400	L396-L407 HydrophobicContact CB-CD2 4.12Å; A400-L407 HydrophobicContact CB-CD2 3.82Å; A400-L407 HydrophobicContact CB-CG 4.2Å
408	P	95.9	Very high	93.6	Very high	28 Å²	28	87.6 Å²	87.6	18%	0.182	50%	0.496	C	S	.	.			trans	-66.5	149.3	173	28.6	-33.1	0	0	0	110.6	L396 E419 L423	L396-P408 HydrophobicContact CD2-CG 4.22Å; P408-E419 WeakPolarHBondContact CA-OE2 3.25Å; P408-E419 HydrophobicContact CB-CB 3.79Å; P408-E419 HydrophobicContact CB-CG 3.85Å; P408-L423 HydrophobicContact CB-CD1 4.29Å; P408-L423 HydrophobicContact CB-CD2 4.43Å; P408-L423 HydrophobicContact CB-CG 4.16Å; P408-L423 HydrophobicContact CG-CD1 4.5Å; P408-L423 HydrophobicContact CG-CD2 3.79Å; P408-L423 HydrophobicContact CG-CG 4.03Å
409	S	94.5	Very high	93.6	Very high	52 Å²	52	85.5 Å²	85.5	36%	0.364	48%	0.479	S	S	.	.			trans	-118	151	173.9	-63.6	0	0	0	0	111.9	G415 E419 L423	S409-G415 WeakPolarHBondContact O-CA 3.34Å; S409-E419 PolarHBondContact N-OE2 2.79Å; S409-E419 VanDerWaalsContact O-CB 3.3Å; S409-E419 WeakPolarHBondContact O-CB 3.49Å; S409-L423 VanDerWaalsContact C-CD1 3.45Å
410	F	94	Very high	93.6	Very high	22 Å²	22	81 Å²	81	10%	0.096	46%	0.46	C	S	.	.			trans	-66.6	156.8	170.3	-72.6	-76.1	0	0	0	111	Y363 A412 A413 G414 G415 D420 L423 Q424 L517 A518 P519	Y363-F410 HydrophobicContact CD2-CZ 4.47Å; Y363-F410 HydrophobicContact CE2-CD2 4.14Å; Y363-F410 HydrophobicContact CE2-CE1 4.34Å; Y363-F410 AromaticContact CE2-CE2 3.45Å; Y363-F410 HydrophobicContact CE2-CE2 3.45Å; Y363-F410 VanDerWaalsContact CE2-CE2 3.45Å; Y363-F410 AromaticContact CE2-CZ 3.57Å; Y363-F410 HydrophobicContact CE2-CZ 3.57Å; Y363-F410 AromaticContact CZ-CE2 3.8Å; Y363-F410 VanDerWaalsContact OH-CE2 3.29Å; Y363-F410 WeakPolarHBondContact OH-CE2 3.14Å; F410-A412 VanDerWaalsContact C-N 3.27Å; F410-A412 PolarHBondContact O-N 3.48Å; F410-A413 CarbonylContact O-C 3.36Å; F410-A413 WeakPolarHBondContact O-CA 3.34Å; F410-A413 PolarHBondContact O-N 3.02Å; F410-G414 PolarHBondContact O-N 2.89Å; F410-G415 PolarHBondContact O-N 2.77Å; F410-D420 WeakPolarHBondContact CD1-OD1 3.35Å; F410-L423 HydrophobicContact CD1-CB 4.13Å; F410-L423 HydrophobicContact CD1-CD1 3.97Å; F410-L423 HydrophobicContact CD2-CD1 3.79Å; F410-L423 HydrophobicContact CE1-CB 3.51Å; F410-L423 HydrophobicContact CE1-CD1 4.06Å; F410-L423 HydrophobicContact CE1-CG 4.42Å; F410-L423 HydrophobicContact CE2-CB 4.3Å; F410-L423 HydrophobicContact CE2-CD1 3.85Å; F410-L423 HydrophobicContact CG-CD1 3.84Å; F410-L423 HydrophobicContact CZ-CB 3.6Å; F410-L423 HydrophobicContact CZ-CD1 3.99Å; F410-L423 HydrophobicContact CZ-CG 4.31Å; F410-Q424 HydrophobicContact CE1-CG 4.2Å; F410-L517 WeakPolarHBondContact CE1-O 3.28Å; F410-A518 HydrophobicContact CD1-CB 4.04Å; F410-A518 HydrophobicContact CE1-CB 4.2Å; F410-P519 HydrophobicContact CB-CG 3.75Å; F410-P519 HydrophobicContact CD2-CG 4.2Å; F410-P519 VanDerWaalsContact CG-CD 3.42Å; F410-P519 HydrophobicContact CG-CG 3.93Å
411	M	91.4	Very high	93.5	Very high	77 Å²	77	83.3 Å²	83.3	38%	0.379	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-62.3	-36.1	179.9	-169.1	-176.8	-57.2	0	0	112.1	A413 G414 R417 D420	M411-A413 PolarHBondContact O-N 3.05Å; M411-G414 PolarHBondContact O-N 2.78Å; M411-G414 VanDerWaalsContact O-N 3.08Å; M411-R417 HydrophobicContact CE-CB 3.77Å; M411-R417 HydrophobicContact CE-CG 4.07Å; M411-D420 HydrophobicContact CB-CB 4.1Å; M411-D420 PolarHBondContact N-OD1 2.87Å
412	A	88.2	Confident	93.6	Very high	56 Å²	56	81.4 Å²	81.4	46%	0.463	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.6	174.5	0	0	0	0	0	113.1	F410 P519	F410-A412 VanDerWaalsContact C-N 3.27Å; F410-A412 PolarHBondContact O-N 3.48Å; A412-P519 HydrophobicContact CB-CB 4.35Å; A412-P519 HydrophobicContact CB-CG 3.76Å
413	A	89.9	Confident	93.6	Very high	73 Å²	73	75.9 Å²	75.9	60%	0.603	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-101.4	14.8	175.9	0	0	0	0	0	112.8	F410 M411	F410-A413 CarbonylContact O-C 3.36Å; F410-A413 WeakPolarHBondContact O-CA 3.34Å; F410-A413 PolarHBondContact O-N 3.02Å; M411-A413 PolarHBondContact O-N 3.05Å
414	G	91.5	Very high	93.7	Very high	74 Å²	74	75.7 Å²	75.7	76%	0.763	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	5	177.4	0	0	0	0	0	115.6	F410 M411	F410-G414 PolarHBondContact O-N 2.89Å; M411-G414 PolarHBondContact O-N 2.78Å; M411-G414 VanDerWaalsContact O-N 3.08Å
415	G	93.7	Very high	93.9	Very high	12 Å²	12	69.2 Å²	69.2	12%	0.124	39%	0.386	C	S	.	.			trans	-73.2	165.3	174.6	0	0	0	0	0	113.7	S409 F410	S409-G415 WeakPolarHBondContact O-CA 3.34Å; F410-G415 PolarHBondContact O-N 2.77Å
416	T	95.5	Very high	94.2	Very high	76 Å²	76	68.3 Å²	68.3	47%	0.466	37%	0.37	S	S	.	.			trans	-76.4	159.9	175.8	64.5	0	0	0	0	112.1	R418 E419 D420	T416-R418 PolarHBondContact O-N 2.86Å; T416-R418 VanDerWaalsContact O-N 3.1Å; T416-E419 VanDerWaalsContact CB-OE1 3.31Å; T416-E419 WeakPolarHBondContact CB-OE1 3.5Å; T416-E419 VanDerWaalsContact CG2-OE1 3.29Å; T416-E419 WeakPolarHBondContact CG2-OE1 3.4Å; T416-E419 PolarHBondContact N-OE1 3.06Å; T416-E419 PolarHBondContact O-N 3.13Å; T416-E419 WeakPolarHBondContact OG1-CG 3.29Å; T416-E419 PolarHBondContact OG1-N 3.17Å; T416-E419 PolarHBondContact OG1-OE1 3.49Å; T416-D420 PolarHBondContact O-N 2.88Å
417	R	92.9	Very high	94.4	Very high	176 Å²	176	59.8 Å²	59.8	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-53.5	-31.9	171.5	-175.3	176.9	-178.2	-134.1	0.9	112.9	M411 I421	M411-R417 HydrophobicContact CE-CB 3.77Å; M411-R417 HydrophobicContact CE-CG 4.07Å; R417-I421 HydrophobicContact CG-CD1 3.82Å; R417-I421 HydrophobicContact CG-CG1 4.44Å; R417-I421 WeakPolarHBondContact O-CB 3.25Å; R417-I421 VanDerWaalsContact O-CG1 3.27Å; R417-I421 WeakPolarHBondContact O-CG1 3.26Å; R417-I421 PolarHBondContact O-N 2.96Å; R417-I421 VanDerWaalsContact O-N 3.12Å
418	R	95.8	Very high	94.5	Very high	212 Å²	212	55.4 Å²	55.4	80%	0.8	32%	0.316	S	S	*	.	H	α-helix	trans	-66.9	-45.3	177.4	-178.1	-174.7	-65.9	173.6	0.1	111.2	T416 A422	T416-R418 PolarHBondContact O-N 2.86Å; T416-R418 VanDerWaalsContact O-N 3.1Å; R418-A422 VanDerWaalsContact O-CB 3.32Å; R418-A422 WeakPolarHBondContact O-CB 3.02Å; R418-A422 PolarHBondContact O-N 3.24Å
419	E	96.4	Very high	94.7	Very high	55 Å²	55	58.6 Å²	58.6	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-66.6	-45.2	178.7	-69.7	163.9	-101.2	0	0	111.4	P408 S409 T416 I421 A422 L423	P408-E419 WeakPolarHBondContact CA-OE2 3.25Å; P408-E419 HydrophobicContact CB-CB 3.79Å; P408-E419 HydrophobicContact CB-CG 3.85Å; S409-E419 PolarHBondContact N-OE2 2.79Å; S409-E419 VanDerWaalsContact O-CB 3.3Å; S409-E419 WeakPolarHBondContact O-CB 3.49Å; T416-E419 VanDerWaalsContact CB-OE1 3.31Å; T416-E419 WeakPolarHBondContact CB-OE1 3.5Å; T416-E419 VanDerWaalsContact CG2-OE1 3.29Å; T416-E419 WeakPolarHBondContact CG2-OE1 3.4Å; T416-E419 PolarHBondContact N-OE1 3.06Å; T416-E419 PolarHBondContact O-N 3.13Å; T416-E419 WeakPolarHBondContact OG1-CG 3.29Å; T416-E419 PolarHBondContact OG1-N 3.17Å; T416-E419 PolarHBondContact OG1-OE1 3.49Å; E419-I421 PolarHBondContact O-N 2.77Å; E419-A422 WeakPolarHBondContact O-CB 3.43Å; E419-A422 PolarHBondContact O-N 2.86Å; E419-A422 VanDerWaalsContact O-N 3.1Å; E419-L423 WeakPolarHBondContact O-CG 3.19Å; E419-L423 PolarHBondContact O-N 3.34Å
420	D	94.3	Very high	94.8	Very high	16 Å²	16	56.2 Å²	56.2	9%	0.086	31%	0.308	C	S	.	.	H	α-helix	trans	-56	-53.4	178	-172.3	89.1	0	0	0	111.6	F410 M411 T416 A422 L423 Q424	F410-D420 WeakPolarHBondContact CD1-OD1 3.35Å; M411-D420 HydrophobicContact CB-CB 4.1Å; M411-D420 PolarHBondContact N-OD1 2.87Å; T416-D420 PolarHBondContact O-N 2.88Å; D420-A422 VanDerWaalsContact C-N 3.29Å; D420-A422 PolarHBondContact O-N 2.88Å; D420-L423 PolarHBondContact O-N 2.89Å; D420-Q424 WeakPolarHBondContact O-CG 3.25Å; D420-Q424 PolarHBondContact O-N 3.4Å; D420-Q424 PolarHBondContact OD2-NE2 3.03Å
421	I	94.2	Very high	95	Very high	66 Å²	66	56.8 Å²	56.8	34%	0.338	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-37.9	176	-68.2	170.6	0	0	0	111.3	R417 E419 N425	R417-I421 HydrophobicContact CG-CD1 3.82Å; R417-I421 HydrophobicContact CG-CG1 4.44Å; R417-I421 WeakPolarHBondContact O-CB 3.25Å; R417-I421 VanDerWaalsContact O-CG1 3.27Å; R417-I421 WeakPolarHBondContact O-CG1 3.26Å; R417-I421 PolarHBondContact O-N 2.96Å; R417-I421 VanDerWaalsContact O-N 3.12Å; E419-I421 PolarHBondContact O-N 2.77Å; I421-N425 WeakPolarHBondContact CG2-ND2 3.15Å; I421-N425 VanDerWaalsContact O-CB 3.3Å; I421-N425 WeakPolarHBondContact O-CB 3.48Å; I421-N425 PolarHBondContact O-N 2.76Å; I421-N425 PolarHBondContact O-ND2 2.47Å; I421-N425 VanDerWaalsContact O-ND2 3.13Å
422	A	96.6	Very high	95.3	Very high	45 Å²	45	55 Å²	55	37%	0.372	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-42.9	178.3	0	0	0	0	0	112	R418 E419 D420 N425 V426	R418-A422 VanDerWaalsContact O-CB 3.32Å; R418-A422 WeakPolarHBondContact O-CB 3.02Å; R418-A422 PolarHBondContact O-N 3.24Å; E419-A422 WeakPolarHBondContact O-CB 3.43Å; E419-A422 PolarHBondContact O-N 2.86Å; E419-A422 VanDerWaalsContact O-N 3.1Å; D420-A422 VanDerWaalsContact C-N 3.29Å; D420-A422 PolarHBondContact O-N 2.88Å; A422-N425 PolarHBondContact O-N 3.33Å; A422-V426 WeakPolarHBondContact O-CG2 3.28Å; A422-V426 PolarHBondContact O-N 3.05Å
423	L	96.8	Very high	95.8	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-43.7	176.9	-75.8	169.7	0	0	0	112.2	L396 P408 S409 F410 E419 D420 V426 Q427	L396-L423 HydrophobicContact CD1-CD2 3.99Å; L396-L423 HydrophobicContact CD2-CD2 3.85Å; P408-L423 HydrophobicContact CB-CD1 4.29Å; P408-L423 HydrophobicContact CB-CD2 4.43Å; P408-L423 HydrophobicContact CB-CG 4.16Å; P408-L423 HydrophobicContact CG-CD1 4.5Å; P408-L423 HydrophobicContact CG-CD2 3.79Å; P408-L423 HydrophobicContact CG-CG 4.03Å; S409-L423 VanDerWaalsContact C-CD1 3.45Å; F410-L423 HydrophobicContact CD1-CB 4.13Å; F410-L423 HydrophobicContact CD1-CD1 3.97Å; F410-L423 HydrophobicContact CD2-CD1 3.79Å; F410-L423 HydrophobicContact CE1-CB 3.51Å; F410-L423 HydrophobicContact CE1-CD1 4.06Å; F410-L423 HydrophobicContact CE1-CG 4.42Å; F410-L423 HydrophobicContact CE2-CB 4.3Å; F410-L423 HydrophobicContact CE2-CD1 3.85Å; F410-L423 HydrophobicContact CG-CD1 3.84Å; F410-L423 HydrophobicContact CZ-CB 3.6Å; F410-L423 HydrophobicContact CZ-CD1 3.99Å; F410-L423 HydrophobicContact CZ-CG 4.31Å; E419-L423 WeakPolarHBondContact O-CG 3.19Å; E419-L423 PolarHBondContact O-N 3.34Å; D420-L423 PolarHBondContact O-N 2.89Å; L423-V426 PolarHBondContact O-N 2.71Å; L423-Q427 PolarHBondContact O-N 3.19Å; L423-Q427 PolarHBondContact O-NE2 2.87Å
424	Q	95.8	Very high	96.2	Very high	23 Å²	23	54 Å²	54	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-46.2	174.3	-65.3	-173.3	49.1	0	0	111.2	F410 D420 V426 Q427 A428 L517 A518	F410-Q424 HydrophobicContact CE1-CG 4.2Å; D420-Q424 WeakPolarHBondContact O-CG 3.25Å; D420-Q424 PolarHBondContact O-N 3.4Å; D420-Q424 PolarHBondContact OD2-NE2 3.03Å; Q424-V426 PolarHBondContact O-N 3.42Å; Q424-Q427 PolarHBondContact O-N 3.44Å; Q424-A428 PolarHBondContact O-N 3.4Å; Q424-L517 HydrophobicContact CB-CB 3.94Å; Q424-L517 HydrophobicContact CB-CD1 4.1Å; Q424-L517 HydrophobicContact CG-CB 3.73Å; Q424-A518 HydrophobicContact CG-CB 4.28Å
425	N	96.8	Very high	96.5	Very high	37 Å²	37	50.6 Å²	50.6	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-38.2	179.7	-71.8	-23.3	0	0	0	112.9	I421 A422 A428 R429 T469	I421-N425 WeakPolarHBondContact CG2-ND2 3.15Å; I421-N425 VanDerWaalsContact O-CB 3.3Å; I421-N425 WeakPolarHBondContact O-CB 3.48Å; I421-N425 PolarHBondContact O-N 2.76Å; I421-N425 PolarHBondContact O-ND2 2.47Å; I421-N425 VanDerWaalsContact O-ND2 3.13Å; A422-N425 PolarHBondContact O-N 3.33Å; N425-A428 PolarHBondContact O-N 3.43Å; N425-R429 WeakPolarHBondContact O-CG 3.41Å; N425-R429 PolarHBondContact O-N 2.97Å; N425-T469 HydrophobicContact CB-CG2 3.81Å; N425-T469 VanDerWaalsContact OD1-CG2 3.29Å; N425-T469 WeakPolarHBondContact OD1-CG2 3.25Å; N425-T469 PolarHBondContact OD1-OG1 2.61Å
426	V	97.1	Very high	96.8	Very high	37 Å²	37	53 Å²	53	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-45.7	177.5	168.2	0	0	0	0	110.3	V392 F395 A422 L423 Q424 A428 R429 V430	V392-V426 HydrophobicContact CG1-CG1 4.26Å; F395-V426 HydrophobicContact CB-CG1 4.3Å; F395-V426 HydrophobicContact CD2-CG1 4.16Å; A422-V426 WeakPolarHBondContact O-CG2 3.28Å; A422-V426 PolarHBondContact O-N 3.05Å; L423-V426 PolarHBondContact O-N 2.71Å; Q424-V426 PolarHBondContact O-N 3.42Å; V426-A428 VanDerWaalsContact C-N 3.34Å; V426-A428 PolarHBondContact O-N 3.26Å; V426-R429 PolarHBondContact O-N 3.1Å; V426-V430 HydrophobicContact CG1-CG2 4.42Å; V426-V430 VanDerWaalsContact O-CG2 3.31Å; V426-V430 WeakPolarHBondContact O-CG2 3.43Å; V426-V430 PolarHBondContact O-N 2.96Å
427	Q	97.5	Very high	96.9	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-45	175.9	-66.3	175.6	76.4	0	0	111.6	I388 V392 L423 Q424 R429 V430 R431 L517	I388-Q427 HydrophobicContact CD1-CB 4.07Å; I388-Q427 HydrophobicContact CD1-CG 4.43Å; V392-Q427 HydrophobicContact CG1-CG 4.19Å; V392-Q427 HydrophobicContact CG2-CG 4.03Å; L423-Q427 PolarHBondContact O-N 3.19Å; L423-Q427 PolarHBondContact O-NE2 2.87Å; Q424-Q427 PolarHBondContact O-N 3.44Å; Q427-R429 PolarHBondContact O-N 3.42Å; Q427-V430 PolarHBondContact O-N 2.7Å; Q427-R431 WeakPolarHBondContact O-CG 3.23Å; Q427-R431 PolarHBondContact O-N 3.21Å; Q427-R431 PolarHBondContact O-NH1 3.19Å; Q427-L517 HydrophobicContact CB-CD2 4.35Å; Q427-L517 PolarHBondContact NE2-O 3.08Å
428	A	96.9	Very high	97.1	Very high	7 Å²	7	46.8 Å²	46.8	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-42.9	179.5	0	0	0	0	0	112.6	Q424 N425 V426 R431 M432 T469 D472	Q424-A428 PolarHBondContact O-N 3.4Å; N425-A428 PolarHBondContact O-N 3.43Å; V426-A428 VanDerWaalsContact C-N 3.34Å; V426-A428 PolarHBondContact O-N 3.26Å; A428-R431 PolarHBondContact O-N 3.45Å; A428-M432 PolarHBondContact O-N 3.04Å; A428-T469 HydrophobicContact CB-CG2 4.37Å; A428-D472 HydrophobicContact CB-CB 3.57Å; A428-D472 WeakPolarHBondContact O-CB 3.43Å
429	R	98.1	Very high	97.2	Very high	96 Å²	96	36.9 Å²	36.9	36%	0.362	19%	0.189	S	C	.	.	H	α-helix	trans	-72.4	-35.4	178.7	-65.8	-170	-170.8	106.8	3.5	113.6	N425 V426 Q427 R431 M432 V433 T469 K470	N425-R429 WeakPolarHBondContact O-CG 3.41Å; N425-R429 PolarHBondContact O-N 2.97Å; V426-R429 PolarHBondContact O-N 3.1Å; Q427-R429 PolarHBondContact O-N 3.42Å; R429-R431 VanDerWaalsContact C-N 3.25Å; R429-R431 PolarHBondContact O-N 2.94Å; R429-M432 WeakPolarHBondContact O-CB 3.42Å; R429-M432 PolarHBondContact O-N 2.78Å; R429-M432 VanDerWaalsContact O-N 3.15Å; R429-V433 PolarHBondContact O-N 2.83Å; R429-V433 VanDerWaalsContact O-N 3.07Å; R429-T469 HydrophobicContact CG-CG2 4.25Å; R429-K470 PolarHBondContact NE-O 2.89Å; R429-K470 VanDerWaalsContact NE-O 3.14Å; R429-K470 PolarHBondContact NH2-O 3.43Å
430	V	97.7	Very high	97.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-40.9	174.5	165	0	0	0	0	110.6	I388 V391 V392 F395 V426 Q427 M432 V433 L434	I388-V430 HydrophobicContact CB-CG1 4.12Å; I388-V430 HydrophobicContact CG2-CG1 4.42Å; V391-V430 HydrophobicContact CB-CG1 3.91Å; V391-V430 HydrophobicContact CG1-CG1 3.69Å; V391-V430 HydrophobicContact CG1-CG2 4.16Å; V392-V430 HydrophobicContact CG2-CB 4.37Å; V392-V430 HydrophobicContact CG2-CG1 4.37Å; V392-V430 HydrophobicContact CG2-CG2 4.2Å; F395-V430 HydrophobicContact CD2-CG2 3.96Å; F395-V430 HydrophobicContact CE2-CG2 3.78Å; F395-V430 HydrophobicContact CZ-CG2 4.26Å; V426-V430 HydrophobicContact CG1-CG2 4.42Å; V426-V430 VanDerWaalsContact O-CG2 3.31Å; V426-V430 WeakPolarHBondContact O-CG2 3.43Å; V426-V430 PolarHBondContact O-N 2.96Å; Q427-V430 PolarHBondContact O-N 2.7Å; V430-M432 VanDerWaalsContact C-N 3.33Å; V430-M432 PolarHBondContact O-N 2.88Å; V430-V433 PolarHBondContact O-N 2.8Å; V430-L434 HydrophobicContact CG1-CD1 4.03Å; V430-L434 HydrophobicContact CG1-CG 4.47Å; V430-L434 WeakPolarHBondContact O-CG 3.46Å; V430-L434 PolarHBondContact O-N 2.74Å
431	R	98.2	Very high	97.4	Very high	34 Å²	34	42.2 Å²	42.2	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-41	175.2	-68	-172.9	-174.8	95.8	-5.6	112.6	M359 I388 Q427 A428 R429 L434 A435	M359-R431 HydrophobicContact CB-CG 3.8Å; M359-R431 HydrophobicContact CE-CB 3.69Å; M359-R431 HydrophobicContact CE-CG 4.19Å; M359-R431 WeakPolarHBondContact CE-O 3.2Å; M359-R431 PolarHBondContact O-NE 3.48Å; M359-R431 HydrophobicContact SD-CB 3.78Å; M359-R431 HydrophobicContact SD-CG 3.99Å; M359-R431 VanDerWaalsContact SD-O 3.39Å; I388-R431 HydrophobicContact CD1-CG 4.02Å; I388-R431 HydrophobicContact CG2-CG 4.33Å; Q427-R431 WeakPolarHBondContact O-CG 3.23Å; Q427-R431 PolarHBondContact O-N 3.21Å; Q427-R431 PolarHBondContact O-NH1 3.19Å; A428-R431 PolarHBondContact O-N 3.45Å; R429-R431 VanDerWaalsContact C-N 3.25Å; R429-R431 PolarHBondContact O-N 2.94Å; R431-L434 PolarHBondContact O-N 3.15Å; R431-A435 WeakPolarHBondContact O-CB 3.35Å; R431-A435 PolarHBondContact O-N 2.77Å
432	M	98.2	Very high	97.6	Very high	41 Å²	41	39.1 Å²	39.1	20%	0.202	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-47.9	175.5	-179.1	-80	-71.7	0	0	111.8	A428 R429 V430 L434 A435 Y436 Y471 D472	A428-M432 PolarHBondContact O-N 3.04Å; R429-M432 WeakPolarHBondContact O-CB 3.42Å; R429-M432 PolarHBondContact O-N 2.78Å; R429-M432 VanDerWaalsContact O-N 3.15Å; V430-M432 VanDerWaalsContact C-N 3.33Å; V430-M432 PolarHBondContact O-N 2.88Å; M432-L434 VanDerWaalsContact C-N 3.3Å; M432-L434 PolarHBondContact O-N 2.91Å; M432-A435 WeakPolarHBondContact O-CB 3.27Å; M432-A435 PolarHBondContact O-N 2.85Å; M432-Y436 HydrophobicContact CG-CD2 4.16Å; M432-Y436 HydrophobicContact CG-CE2 4.27Å; M432-Y436 PolarHBondContact O-N 2.88Å; M432-Y436 VanDerWaalsContact O-N 3.1Å; M432-Y436 HydrophobicContact SD-CD2 3.68Å; M432-Y436 HydrophobicContact SD-CE2 4.09Å; M432-Y471 WeakPolarHBondContact CE-O 3.41Å; M432-D472 WeakPolarHBondContact CG-O 3.42Å
433	V	98.3	Very high	97.6	Very high	80 Å²	80	37 Å²	37	49%	0.485	18%	0.182	S	C	.	.	H	α-helix	trans	-58.7	-44.6	178.8	174.3	0	0	0	0	111	R429 V430 Y436 L437	R429-V433 PolarHBondContact O-N 2.83Å; R429-V433 VanDerWaalsContact O-N 3.07Å; V430-V433 PolarHBondContact O-N 2.8Å; V433-Y436 PolarHBondContact O-N 3.43Å; V433-L437 PolarHBondContact O-N 2.66Å
434	L	98.1	Very high	97.6	Very high	27 Å²	27	45 Å²	45	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-43.7	177	-69.3	173.4	0	0	0	111.8	M359 I388 V430 R431 M432 Y436 L437 F438	M359-L434 HydrophobicContact SD-CB 3.9Å; M359-L434 HydrophobicContact SD-CD1 4.36Å; I388-L434 HydrophobicContact CG2-CD1 3.7Å; V430-L434 HydrophobicContact CG1-CD1 4.03Å; V430-L434 HydrophobicContact CG1-CG 4.47Å; V430-L434 WeakPolarHBondContact O-CG 3.46Å; V430-L434 PolarHBondContact O-N 2.74Å; R431-L434 PolarHBondContact O-N 3.15Å; M432-L434 VanDerWaalsContact C-N 3.3Å; M432-L434 PolarHBondContact O-N 2.91Å; L434-Y436 VanDerWaalsContact C-N 3.31Å; L434-Y436 PolarHBondContact O-N 2.85Å; L434-L437 WeakPolarHBondContact O-CB 3.38Å; L434-L437 PolarHBondContact O-N 2.95Å; L434-F438 HydrophobicContact CB-CD2 4.48Å; L434-F438 HydrophobicContact CD2-CE2 4.47Å; L434-F438 WeakPolarHBondContact O-CD2 3.01Å; L434-F438 PolarHBondContact O-N 2.87Å
435	A	98.3	Very high	97.5	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-45.9	177.9	0	0	0	0	0	111.8	L307 P309 M359 R431 M432 F438 A439 V454	L307-A435 WeakPolarHBondContact CD1-O 3.2Å; L307-A435 HydrophobicContact CD2-CB 3.93Å; P309-A435 HydrophobicContact CG-CB 3.83Å; M359-A435 HydrophobicContact CE-CB 4.42Å; R431-A435 WeakPolarHBondContact O-CB 3.35Å; R431-A435 PolarHBondContact O-N 2.77Å; M432-A435 WeakPolarHBondContact O-CB 3.27Å; M432-A435 PolarHBondContact O-N 2.85Å; A435-F438 PolarHBondContact O-N 3.31Å; A435-A439 VanDerWaalsContact O-CB 3.31Å; A435-A439 WeakPolarHBondContact O-CB 3.47Å; A435-A439 PolarHBondContact O-N 2.9Å; A435-V454 HydrophobicContact CB-CG1 4.37Å
436	Y	98.6	Very high	97.3	Very high	63 Å²	63	50.1 Å²	50.1	25%	0.247	24%	0.243	C	C	.	.	H	α-helix	trans	-69.4	-37.3	177.3	-86.7	-78.7	0	0	0	113.6	M432 V433 L434 A439 Q440 V454 A476 D477	M432-Y436 HydrophobicContact CG-CD2 4.16Å; M432-Y436 HydrophobicContact CG-CE2 4.27Å; M432-Y436 PolarHBondContact O-N 2.88Å; M432-Y436 VanDerWaalsContact O-N 3.1Å; M432-Y436 HydrophobicContact SD-CD2 3.68Å; M432-Y436 HydrophobicContact SD-CE2 4.09Å; V433-Y436 PolarHBondContact O-N 3.43Å; L434-Y436 VanDerWaalsContact C-N 3.31Å; L434-Y436 PolarHBondContact O-N 2.85Å; Y436-A439 PolarHBondContact O-N 3.44Å; Y436-Q440 WeakPolarHBondContact O-CG 3.27Å; Y436-Q440 PolarHBondContact O-N 3.43Å; Y436-Q440 VanDerWaalsContact O-N 3.14Å; Y436-V454 HydrophobicContact CD1-CG2 3.86Å; Y436-V454 HydrophobicContact CD2-CG2 4.44Å; Y436-V454 HydrophobicContact CE1-CB 4.32Å; Y436-V454 HydrophobicContact CE1-CG2 3.78Å; Y436-V454 HydrophobicContact CE2-CG2 4.38Å; Y436-V454 HydrophobicContact CG-CG2 4.19Å; Y436-A476 VanDerWaalsContact OH-CA 3.27Å; Y436-A476 WeakPolarHBondContact OH-CA 3.39Å; Y436-D477 VanDerWaalsContact CE1-OD1 3.25Å; Y436-D477 WeakPolarHBondContact CE1-OD1 3.35Å; Y436-D477 PolarHBondContact OH-N 3.39Å; Y436-D477 PolarHBondContact OH-OD1 3.44Å
437	L	97.9	Very high	97.1	Very high	83 Å²	83	54 Å²	54	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-48.6	174	179.1	64.7	0	0	0	111	V433 L434 A439 Q440 L441	V433-L437 PolarHBondContact O-N 2.66Å; L434-L437 WeakPolarHBondContact O-CB 3.38Å; L434-L437 PolarHBondContact O-N 2.95Å; L437-A439 VanDerWaalsContact C-N 3.35Å; L437-Q440 PolarHBondContact O-N 2.87Å; L437-L441 HydrophobicContact CD1-CD1 3.69Å; L437-L441 HydrophobicContact CG-CD1 4.44Å; L437-L441 WeakPolarHBondContact O-CB 3.32Å; L437-L441 PolarHBondContact O-N 3.01Å; L437-L441 VanDerWaalsContact O-N 3.08Å
438	F	97.9	Very high	97	Very high	39 Å²	39	57.7 Å²	57.7	17%	0.171	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-33.6	177.5	-78.2	-71.6	0	0	0	112.1	L307 F357 L386 L434 A435 Q440 L441 T442 M445	L307-F438 HydrophobicContact CD1-CB 3.54Å; F357-F438 HydrophobicContact CD1-CD2 4.22Å; F357-F438 HydrophobicContact CD1-CG 4.2Å; F357-F438 HydrophobicContact CE1-CB 3.94Å; F357-F438 AromaticContact CE1-CD1 3.48Å; F357-F438 HydrophobicContact CE1-CD1 3.48Å; F357-F438 VanDerWaalsContact CE1-CD1 3.48Å; F357-F438 AromaticContact CE1-CD2 3.89Å; F357-F438 HydrophobicContact CE1-CD2 3.89Å; F357-F438 AromaticContact CE1-CE1 3.92Å; F357-F438 HydrophobicContact CE1-CE1 3.92Å; F357-F438 HydrophobicContact CE1-CE2 4.32Å; F357-F438 AromaticContact CE1-CG 3.48Å; F357-F438 HydrophobicContact CE1-CG 3.48Å; F357-F438 VanDerWaalsContact CE1-CG 3.48Å; F357-F438 HydrophobicContact CE1-CZ 4.33Å; F357-F438 HydrophobicContact CE2-CB 4.1Å; F357-F438 HydrophobicContact CZ-CB 3.66Å; F357-F438 AromaticContact CZ-CD1 3.65Å; F357-F438 HydrophobicContact CZ-CD1 3.65Å; F357-F438 HydrophobicContact CZ-CD2 4.48Å; F357-F438 HydrophobicContact CZ-CE1 4.45Å; F357-F438 AromaticContact CZ-CG 3.68Å; F357-F438 HydrophobicContact CZ-CG 3.68Å; L386-F438 HydrophobicContact CD1-CD2 3.82Å; L386-F438 HydrophobicContact CD1-CE1 4.44Å; L386-F438 HydrophobicContact CD1-CE2 3.19Å; L386-F438 HydrophobicContact CD1-CZ 3.56Å; L386-F438 HydrophobicContact CD2-CZ 4.12Å; L386-F438 HydrophobicContact CG-CE2 4.49Å; L434-F438 HydrophobicContact CB-CD2 4.48Å; L434-F438 HydrophobicContact CD2-CE2 4.47Å; L434-F438 WeakPolarHBondContact O-CD2 3.01Å; L434-F438 PolarHBondContact O-N 2.87Å; A435-F438 PolarHBondContact O-N 3.31Å; F438-Q440 PolarHBondContact O-N 3.29Å; F438-L441 PolarHBondContact O-N 2.93Å; F438-T442 WeakPolarHBondContact O-CB 3.48Å; F438-T442 PolarHBondContact O-N 3.04Å; F438-T442 PolarHBondContact O-OG1 2.93Å; F438-M445 HydrophobicContact CD1-CE 4.06Å; F438-M445 HydrophobicContact CE1-CE 4.14Å
439	A	98.1	Very high	96.8	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-34.3	177.7	0	0	0	0	0	111.9	L307 A435 Y436 L437 L452 V454	L307-A439 HydrophobicContact CB-CB 4.26Å; L307-A439 HydrophobicContact CD1-CB 4.08Å; A435-A439 VanDerWaalsContact O-CB 3.31Å; A435-A439 WeakPolarHBondContact O-CB 3.47Å; A435-A439 PolarHBondContact O-N 2.9Å; Y436-A439 PolarHBondContact O-N 3.44Å; L437-A439 VanDerWaalsContact C-N 3.35Å; A439-L452 HydrophobicContact CB-CB 4.26Å; A439-L452 PolarHBondContact O-N 3.29Å; A439-V454 HydrophobicContact CB-CG2 3.45Å; A439-V454 VanDerWaalsContact CB-CG2 3.45Å
440	Q	97.8	Very high	96.6	Very high	114 Å²	114	59.7 Å²	59.7	53%	0.533	32%	0.316	S	S	.	.	H	α-helix	trans	-80.2	-31	177	-68.1	177.2	0.7	0	0	113.5	Y436 L437 F438	Y436-Q440 WeakPolarHBondContact O-CG 3.27Å; Y436-Q440 PolarHBondContact O-N 3.43Å; Y436-Q440 VanDerWaalsContact O-N 3.14Å; L437-Q440 PolarHBondContact O-N 2.87Å; F438-Q440 PolarHBondContact O-N 3.29Å
441	L	97.7	Very high	96.6	Very high	69 Å²	69	67.2 Å²	67.2	36%	0.361	34%	0.344	S	S	.	.	H	α-helix	trans	-116.1	-9.4	-168.8	-63.5	-179.3	0	0	0	116	L437 F438 L443 W444 M445	L437-L441 HydrophobicContact CD1-CD1 3.69Å; L437-L441 HydrophobicContact CG-CD1 4.44Å; L437-L441 WeakPolarHBondContact O-CB 3.32Å; L437-L441 PolarHBondContact O-N 3.01Å; L437-L441 VanDerWaalsContact O-N 3.08Å; F438-L441 PolarHBondContact O-N 2.93Å; L441-L443 PolarHBondContact O-N 3.32Å; L441-W444 HydrophobicContact CB-CE3 4.38Å; L441-W444 HydrophobicContact CD2-CB 4.38Å; L441-W444 HydrophobicContact CD2-CD2 4.44Å; L441-W444 HydrophobicContact CD2-CE3 4.46Å; L441-W444 HydrophobicContact CD2-CG 4.41Å; L441-W444 WeakPolarHBondContact O-CB 3.11Å; L441-W444 PolarHBondContact O-N 3.45Å; L441-W444 VanDerWaalsContact O-N 3.14Å; L441-M445 WeakPolarHBondContact O-CG 3.2Å; L441-M445 PolarHBondContact O-N 3.22Å
442	T	97.4	Very high	96.6	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.006	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-42.6	-176.3	-64.1	0	0	0	0	112.7	F355 F357 F384 F438 W444 M445 L452	F355-T442 HydrophobicContact CD1-CG2 3.48Å; F355-T442 VanDerWaalsContact CD1-CG2 3.48Å; F355-T442 HydrophobicContact CE1-CG2 3.7Å; F355-T442 HydrophobicContact CG-CG2 4Å; F355-T442 HydrophobicContact CZ-CG2 4.39Å; F357-T442 HydrophobicContact CZ-CG2 4.47Å; F384-T442 HydrophobicContact CE2-CG2 4.25Å; F438-T442 WeakPolarHBondContact O-CB 3.48Å; F438-T442 PolarHBondContact O-N 3.04Å; F438-T442 PolarHBondContact O-OG1 2.93Å; T442-W444 VanDerWaalsContact C-N 3.34Å; T442-M445 HydrophobicContact CG2-CE 4.1Å; T442-M445 WeakPolarHBondContact O-CB 3.36Å; T442-M445 PolarHBondContact O-N 3.32Å; T442-L452 HydrophobicContact CG2-CD1 4.28Å
443	L	96.8	Very high	96.6	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.5	175.8	-65.1	-176.2	0	0	0	111.6	N304 F355 L441 M445 S446 S447 R448 L452	N304-L443 HydrophobicContact CB-CD1 3.49Å; N304-L443 VanDerWaalsContact CB-CD1 3.49Å; F355-L443 HydrophobicContact CE2-CD2 3.75Å; F355-L443 HydrophobicContact CZ-CD2 3.52Å; L441-L443 PolarHBondContact O-N 3.32Å; L443-M445 VanDerWaalsContact C-N 3.31Å; L443-M445 PolarHBondContact O-N 3.07Å; L443-S446 CarbonylContact O-C 3.57Å; L443-S446 WeakPolarHBondContact O-CA 3.45Å; L443-S446 PolarHBondContact O-N 2.68Å; L443-S447 PolarHBondContact O-N 2.78Å; L443-R448 CarbonylContact C-O 3.4Å; L443-R448 HydrophobicContact CB-CB 3.98Å; L443-R448 HydrophobicContact CD2-CB 4.32Å; L443-R448 WeakPolarHBondContact O-CB 3.38Å; L443-R448 PolarHBondContact O-N 2.8Å; L443-L452 HydrophobicContact CD1-CD2 3.79Å; L443-L452 HydrophobicContact CD1-CG 4.4Å; L443-L452 HydrophobicContact CD2-CD2 4.22Å; L443-L452 HydrophobicContact CG-CD2 3.91Å; L443-L452 HydrophobicContact CG-CG 4.26Å
444	W	96.9	Very high	96.6	Very high	179 Å²	179	60.9 Å²	60.9	68%	0.678	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.3	-39	173.9	169.6	86.8	0	0	0	112.3	L441 T442 S446 S447	L441-W444 HydrophobicContact CB-CE3 4.38Å; L441-W444 HydrophobicContact CD2-CB 4.38Å; L441-W444 HydrophobicContact CD2-CD2 4.44Å; L441-W444 HydrophobicContact CD2-CE3 4.46Å; L441-W444 HydrophobicContact CD2-CG 4.41Å; L441-W444 WeakPolarHBondContact O-CB 3.11Å; L441-W444 PolarHBondContact O-N 3.45Å; L441-W444 VanDerWaalsContact O-N 3.14Å; T442-W444 VanDerWaalsContact C-N 3.34Å; W444-S446 PolarHBondContact O-N 3.32Å; W444-S447 PolarHBondContact O-N 3.4Å
445	M	93.9	Very high	96.6	Very high	95 Å²	95	59.6 Å²	59.6	47%	0.468	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-58.2	-22.7	174.9	-65.5	-168.4	-73.1	0	0	113.2	F438 L441 T442 L443	F438-M445 HydrophobicContact CD1-CE 4.06Å; F438-M445 HydrophobicContact CE1-CE 4.14Å; L441-M445 WeakPolarHBondContact O-CG 3.2Å; L441-M445 PolarHBondContact O-N 3.22Å; T442-M445 HydrophobicContact CG2-CE 4.1Å; T442-M445 WeakPolarHBondContact O-CB 3.36Å; T442-M445 PolarHBondContact O-N 3.32Å; L443-M445 VanDerWaalsContact C-N 3.31Å; L443-M445 PolarHBondContact O-N 3.07Å
446	S	90.9	Very high	96.6	Very high	71 Å²	71	59.5 Å²	59.5	50%	0.497	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-106.7	14.5	179.4	-45.6	0	0	0	0	112.7	L443 W444 R448	L443-S446 CarbonylContact O-C 3.57Å; L443-S446 WeakPolarHBondContact O-CA 3.45Å; L443-S446 PolarHBondContact O-N 2.68Å; W444-S446 PolarHBondContact O-N 3.32Å; S446-R448 PolarHBondContact O-N 3.03Å; S446-R448 VanDerWaalsContact O-N 3.1Å
447	S	94.3	Very high	96.5	Very high	119 Å²	119	57.7 Å²	57.7	83%	0.832	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	28.1	-172.3	-59	0	0	0	0	113.9	L443 W444	L443-S447 PolarHBondContact O-N 2.78Å; W444-S447 PolarHBondContact O-N 3.4Å
448	R	94.6	Very high	96.4	Very high	86 Å²	86	54 Å²	54	33%	0.325	28%	0.281	S	S	.	.			trans	-93.5	133	175.6	-70.5	173	61.6	-171.2	-4.9	109	R352 L443 S446	R352-R448 PolarHBondContact O-NH1 3.11Å; R352-R448 VanDerWaalsContact O-NH1 3.1Å; R352-R448 PolarHBondContact O-NH2 2.84Å; L443-R448 CarbonylContact C-O 3.4Å; L443-R448 HydrophobicContact CB-CB 3.98Å; L443-R448 HydrophobicContact CD2-CB 4.32Å; L443-R448 WeakPolarHBondContact O-CB 3.38Å; L443-R448 PolarHBondContact O-N 2.8Å; S446-R448 PolarHBondContact O-N 3.03Å; S446-R448 VanDerWaalsContact O-N 3.1Å
449	P	93.5	Very high	96.2	Very high	110 Å²	110	52.1 Å²	52.1	71%	0.714	27%	0.273	S	S	*	.			trans	-66.9	158.6	171.7	30.8	-35.1	0	0	0	110.1
450	G	94.3	Very high	96	Very high	34 Å²	34	52 Å²	52	35%	0.351	27%	0.272	S	S	.	.	S	Bend	trans	104.5	-176.9	172.7	0	0	0	0	0	115.3	N304	N304-G450 WeakPolarHBondContact OD1-CA 3.4Å
451	R	95.9	Very high	95.7	Very high	159 Å²	159	46.7 Å²	46.7	60%	0.6	25%	0.248	S	C	*	.			trans	-140.7	168.1	-179.6	-56.7	171.4	-170.2	153.8	2.4	109.3	Q303 N304	Q303-R451 VanDerWaalsContact OE1-CB 3.32Å; Q303-R451 PolarHBondContact OE1-O 3.3Å; N304-R451 PolarHBondContact N-O 3.02Å
452	L	98.4	Very high	95.5	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	24%	0.235	C	C	.	.			trans	-109.5	145.3	-179.1	-53.5	175.3	0	0	0	110.5	G305 L307 F355 A439 T442 L443	G305-L452 WeakPolarHBondContact O-CA 3.45Å; L307-L452 HydrophobicContact CB-CB 4.08Å; L307-L452 HydrophobicContact CB-CD1 4.07Å; L307-L452 HydrophobicContact CD1-CD1 4.42Å; F355-L452 HydrophobicContact CB-CD1 4.07Å; F355-L452 HydrophobicContact CD2-CD1 3.42Å; F355-L452 VanDerWaalsContact CD2-CD1 3.42Å; F355-L452 HydrophobicContact CD2-CD2 3.67Å; F355-L452 HydrophobicContact CD2-CG 4.22Å; F355-L452 HydrophobicContact CE2-CD1 4.03Å; F355-L452 HydrophobicContact CE2-CD2 3.65Å; F355-L452 HydrophobicContact CG-CD1 3.84Å; A439-L452 HydrophobicContact CB-CB 4.26Å; A439-L452 PolarHBondContact O-N 3.29Å; T442-L452 HydrophobicContact CG2-CD1 4.28Å; L443-L452 HydrophobicContact CD1-CD2 3.79Å; L443-L452 HydrophobicContact CD1-CG 4.4Å; L443-L452 HydrophobicContact CD2-CD2 4.22Å; L443-L452 HydrophobicContact CG-CD2 3.91Å; L443-L452 HydrophobicContact CG-CG 4.26Å
453	L	98.5	Very high	95.4	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.068	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.9	166.8	-71.3	170.4	0	0	0	109.7	Y297 Q303 G305 F306 L307 D477 I478	Y297-L453 HydrophobicContact CD1-CD1 4.19Å; Q303-L453 HydrophobicContact CB-CD1 4.2Å; Q303-L453 HydrophobicContact CB-CD2 4.46Å; Q303-L453 HydrophobicContact CB-CG 3.86Å; Q303-L453 HydrophobicContact CG-CD1 4.26Å; Q303-L453 HydrophobicContact CG-CD2 3.75Å; Q303-L453 HydrophobicContact CG-CG 3.71Å; G305-L453 PolarHBondContact O-N 2.96Å; F306-L453 CarbonylContact C-O 3.48Å; F306-L453 WeakPolarHBondContact CA-O 3.21Å; F306-L453 HydrophobicContact CD1-CB 3.81Å; F306-L453 HydrophobicContact CD1-CD1 4.33Å; F306-L453 HydrophobicContact CE1-CB 4.12Å; F306-L453 HydrophobicContact CE1-CD1 3.79Å; L307-L453 PolarHBondContact N-O 2.98Å; L453-D477 HydrophobicContact CD2-CB 4.17Å; L453-I478 HydrophobicContact CD1-CD1 4.32Å
454	V	98.7	Very high	95.3	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125	172.8	-174	0	0	0	0	109	L307 A435 Y436 A439 A476 D477 I478	L307-V454 HydrophobicContact CD2-CG1 4.46Å; L307-V454 WeakPolarHBondContact O-CA 3.21Å; A435-V454 HydrophobicContact CB-CG1 4.37Å; Y436-V454 HydrophobicContact CD1-CG2 3.86Å; Y436-V454 HydrophobicContact CD2-CG2 4.44Å; Y436-V454 HydrophobicContact CE1-CB 4.32Å; Y436-V454 HydrophobicContact CE1-CG2 3.78Å; Y436-V454 HydrophobicContact CE2-CG2 4.38Å; Y436-V454 HydrophobicContact CG-CG2 4.19Å; A439-V454 HydrophobicContact CB-CG2 3.45Å; A439-V454 VanDerWaalsContact CB-CG2 3.45Å; V454-A476 HydrophobicContact CB-CB 4.24Å; V454-A476 HydrophobicContact CG1-CB 3.79Å; V454-A476 WeakPolarHBondContact O-CB 3.44Å; V454-D477 PolarHBondContact N-OD2 2.92Å; V454-D477 WeakPolarHBondContact O-CB 3.2Å; V454-D477 PolarHBondContact O-N 3.03Å; V454-I478 PolarHBondContact O-N 3.38Å
455	L	98.7	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-94.4	128.5	176.1	-62.6	-178.6	0	0	0	111.2	L294 F306 L307 L308 V319 V323 F354 I478	L294-L455 HydrophobicContact CD2-CD2 4.05Å; F306-L455 HydrophobicContact CB-CD1 3.79Å; F306-L455 HydrophobicContact CB-CG 4.09Å; F306-L455 HydrophobicContact CD1-CD1 3.99Å; F306-L455 HydrophobicContact CD1-CD2 3.59Å; F306-L455 HydrophobicContact CD1-CG 3.86Å; F306-L455 HydrophobicContact CE1-CD2 4Å; F306-L455 HydrophobicContact CG-CD1 3.96Å; F306-L455 HydrophobicContact CG-CD2 4.4Å; F306-L455 HydrophobicContact CG-CG 4.26Å; L307-L455 PolarHBondContact O-N 2.98Å; L308-L455 HydrophobicContact CD1-CB 4.03Å; V319-L455 HydrophobicContact CG1-CB 3.99Å; V319-L455 HydrophobicContact CG1-CD1 3.76Å; V319-L455 HydrophobicContact CG1-CG 4.47Å; V323-L455 HydrophobicContact CG2-CD1 3.52Å; F354-L455 HydrophobicContact CE2-CD1 4.37Å; L455-I478 WeakPolarHBondContact CA-O 3.21Å; L455-I478 HydrophobicContact CD2-CD1 3.99Å; L455-I478 HydrophobicContact CD2-CG1 3.67Å
456	G	97.7	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-83.9	158.6	170.7	0	0	0	0	0	112	V319 I478 N479	V319-G456 WeakPolarHBondContact CG2-O 3.39Å; G456-I478 PolarHBondContact N-O 3.35Å; G456-N479 PolarHBondContact O-OD1 3.5Å
457	S	97	Very high	95.5	Very high	24 Å²	24	31.2 Å²	31.2	17%	0.168	17%	0.172	C	C	.	.			trans	-133.2	19.1	179.6	53.7	0	0	0	0	114	D315	D315-S457 WeakPolarHBondContact CB-O 3.38Å
458	S	94.7	Very high	95.5	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.035	14%	0.137	C	C	.	.			trans	-66.1	135.5	173	-30.5	0	0	0	0	110	S474 N479 G482	S458-S474 VanDerWaalsContact OG-CA 3.3Å; S458-S474 WeakPolarHBondContact OG-CA 3.42Å; S458-S474 VanDerWaalsContact OG-CB 3.25Å; S458-S474 WeakPolarHBondContact OG-CB 3.46Å; S458-N479 PolarHBondContact N-ND2 2.75Å; S458-N479 PolarHBondContact O-ND2 3.05Å; S458-G482 VanDerWaalsContact O-CA 3.29Å; S458-G482 WeakPolarHBondContact O-CA 3.05Å
459	N	94.3	Very high	95.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.			trans	-100.7	169.5	173.3	63.2	62.4	0	0	0	111.9	D315 C461 E462 S463 L484 K486 L489	D315-N459 VanDerWaalsContact CG-ND2 3.27Å; D315-N459 PolarHBondContact OD1-ND2 2.9Å; D315-N459 PolarHBondContact OD2-ND2 3.42Å; N459-C461 PolarHBondContact O-N 2.78Å; N459-C461 PolarHBondContact OD1-N 2.91Å; N459-C461 VanDerWaalsContact OD1-N 3.12Å; N459-E462 PolarHBondContact ND2-OE1 2.83Å; N459-E462 PolarHBondContact ND2-OE2 2.81Å; N459-E462 WeakPolarHBondContact OD1-CG 3.29Å; N459-E462 PolarHBondContact OD1-N 3.47Å; N459-S463 VanDerWaalsContact O-CB 3.26Å; N459-S463 WeakPolarHBondContact O-CB 3.43Å; N459-S463 PolarHBondContact O-N 2.99Å; N459-S463 PolarHBondContact O-OG 2.93Å; N459-L484 WeakPolarHBondContact CB-O 3.27Å; N459-K486 WeakPolarHBondContact ND2-CE 3.36Å; N459-L489 HydrophobicContact CB-CD1 3.87Å
460	A	93.3	Very high	95.8	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-64.8	-37.2	-177.9	0	0	0	0	0	112.8	S463 V464 G482 L484 L605	A460-S463 PolarHBondContact O-N 3.41Å; A460-V464 PolarHBondContact O-N 2.94Å; A460-G482 PolarHBondContact N-O 3.3Å; A460-L484 WeakPolarHBondContact CB-O 3.1Å; A460-L484 PolarHBondContact N-O 2.89Å; A460-L605 HydrophobicContact CB-CD1 4.32Å; A460-L605 WeakPolarHBondContact O-CD1 3.24Å
461	C	93.1	Very high	95.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-66	-43.2	-177.5	-57.1	0	0	0	0	112.1	N459 V464 Y536 I539	N459-C461 PolarHBondContact O-N 2.78Å; N459-C461 PolarHBondContact OD1-N 2.91Å; N459-C461 VanDerWaalsContact OD1-N 3.12Å; C461-V464 WeakPolarHBondContact O-CG1 3.25Å; C461-Y536 HydrophobicContact CB-CD1 3.63Å; C461-Y536 HydrophobicContact CB-CE1 4.12Å; C461-I539 HydrophobicContact CB-CG2 3.98Å
462	E	93.4	Very high	96	Very high	22 Å²	22	17.6 Å²	17.6	10%	0.103	8%	0.083	C	C	.	.	H	α-helix	trans	-68.6	-39.8	175	-71.3	164.5	-163.2	0	0	111.2	N459 V464 G466 Y467 K486 Y536	N459-E462 PolarHBondContact ND2-OE1 2.83Å; N459-E462 PolarHBondContact ND2-OE2 2.81Å; N459-E462 WeakPolarHBondContact OD1-CG 3.29Å; N459-E462 PolarHBondContact OD1-N 3.47Å; E462-V464 PolarHBondContact O-N 3.34Å; E462-G466 CarbonylContact O-C 3.42Å; E462-G466 WeakPolarHBondContact O-CA 3.3Å; E462-G466 PolarHBondContact O-N 3.02Å; E462-Y467 HydrophobicContact CG-CD1 4.25Å; E462-Y467 PolarHBondContact O-N 3.03Å; E462-K486 WeakPolarHBondContact OE1-CE 3.34Å; E462-K486 IonicContact OE1-NZ 3.43Å; E462-K486 PolarHBondContact OE1-NZ 2.81Å; E462-Y536 HydrophobicContact CG-CE1 4.02Å; E462-Y536 PolarHBondContact OE1-OH 3.37Å
463	S	94.9	Very high	95.9	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-42.8	-178.9	-62.5	0	0	0	0	112	N459 A460 V465 G466	N459-S463 VanDerWaalsContact O-CB 3.26Å; N459-S463 WeakPolarHBondContact O-CB 3.43Å; N459-S463 PolarHBondContact O-N 2.99Å; N459-S463 PolarHBondContact O-OG 2.93Å; A460-S463 PolarHBondContact O-N 3.41Å; S463-V465 PolarHBondContact O-N 2.59Å; S463-G466 PolarHBondContact O-N 3.49Å; S463-G466 VanDerWaalsContact O-N 3.15Å
464	V	95.2	Very high	95.7	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-67.1	-36.5	-176.1	70.1	0	0	0	0	113.4	A460 C461 E462 I539 Y580 Y584 L605	A460-V464 PolarHBondContact O-N 2.94Å; C461-V464 WeakPolarHBondContact O-CG1 3.25Å; E462-V464 PolarHBondContact O-N 3.34Å; V464-I539 HydrophobicContact CG1-CG2 3.48Å; V464-I539 VanDerWaalsContact CG1-CG2 3.48Å; V464-Y580 HydrophobicContact CG1-CE2 4.04Å; V464-Y580 HydrophobicContact CG2-CE2 4.13Å; V464-Y580 WeakPolarHBondContact CG2-OH 3.46Å; V464-Y584 HydrophobicContact CG2-CD2 3.98Å; V464-Y584 WeakPolarHBondContact O-CD2 3.36Å; V464-L605 HydrophobicContact CB-CD1 3.54Å; V464-L605 HydrophobicContact CB-CD2 3.99Å; V464-L605 HydrophobicContact CB-CG 4.41Å; V464-L605 HydrophobicContact CG2-CD1 4.3Å; V464-L605 HydrophobicContact CG2-CD2 3.81Å
465	V	95.4	Very high	95.5	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-90.9	-6.6	175.5	-61	0	0	0	0	112.5	S463 I532 I539 Y580 A583 N587	S463-V465 PolarHBondContact O-N 2.59Å; V465-I532 HydrophobicContact CG2-CG2 4.2Å; V465-I539 HydrophobicContact CG1-CD1 4.07Å; V465-I539 HydrophobicContact CG1-CG1 4.2Å; V465-I539 HydrophobicContact CG2-CD1 4.34Å; V465-Y580 HydrophobicContact CG1-CD2 4.17Å; V465-Y580 HydrophobicContact CG1-CE2 4.48Å; V465-A583 HydrophobicContact CB-CB 4.02Å; V465-A583 HydrophobicContact CG1-CB 4.42Å; V465-N587 PolarHBondContact O-ND2 3.46Å
466	G	94.4	Very high	95.4	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.031	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	37.1	-177.8	0	0	0	0	0	114.4	E462 S463 F468 K590	E462-G466 CarbonylContact O-C 3.42Å; E462-G466 WeakPolarHBondContact O-CA 3.3Å; E462-G466 PolarHBondContact O-N 3.02Å; S463-G466 PolarHBondContact O-N 3.49Å; S463-G466 VanDerWaalsContact O-N 3.15Å; G466-F468 PolarHBondContact O-N 2.99Å; G466-K590 PolarHBondContact O-NZ 2.71Å
467	Y	94.6	Very high	95.4	Very high	56 Å²	56	22 Å²	22	22%	0.22	11%	0.111	C	C	.	.			trans	-82	66.3	176	-173.6	-103.6	0	0	0	110.8	E462 D528 D531 I532	E462-Y467 HydrophobicContact CG-CD1 4.25Å; E462-Y467 PolarHBondContact O-N 3.03Å; Y467-D528 HydrophobicContact CE1-CB 3.67Å; Y467-D528 WeakPolarHBondContact CE1-OD1 3.35Å; Y467-D528 PolarHBondContact OH-OD1 2.66Å; Y467-D531 HydrophobicContact CE2-CB 3.77Å; Y467-I532 HydrophobicContact CD1-CD1 3.8Å; Y467-I532 HydrophobicContact CD1-CG1 4.04Å; Y467-I532 HydrophobicContact CD2-CD1 4.18Å; Y467-I532 HydrophobicContact CD2-CG1 3.47Å; Y467-I532 VanDerWaalsContact CD2-CG1 3.47Å; Y467-I532 HydrophobicContact CE1-CD1 4.29Å; Y467-I532 HydrophobicContact CE1-CG1 4.43Å; Y467-I532 HydrophobicContact CE2-CG1 3.93Å; Y467-I532 HydrophobicContact CG-CD1 3.72Å; Y467-I532 HydrophobicContact CG-CG1 3.52Å
468	F	94.6	Very high	95.5	Very high	26 Å²	26	20.9 Å²	20.9	11%	0.114	10%	0.103	C	C	.	.	S	Bend	trans	-158.3	160.4	172.8	59.5	-87.9	0	0	0	109.3	G466 S474 K590 L594	G466-F468 PolarHBondContact O-N 2.99Å; F468-S474 WeakPolarHBondContact CD2-OG 3.27Å; F468-K590 HydrophobicContact CD2-CD 4.36Å; F468-K590 HydrophobicContact CE1-CB 4.3Å; F468-K590 HydrophobicContact CE1-CD 4.4Å; F468-K590 HydrophobicContact CE2-CB 3.67Å; F468-K590 HydrophobicContact CE2-CD 3.97Å; F468-K590 HydrophobicContact CE2-CG 4.38Å; F468-K590 HydrophobicContact CZ-CB 3.38Å; F468-K590 HydrophobicContact CZ-CD 4Å; F468-K590 HydrophobicContact CZ-CG 4.34Å; F468-K590 PolarHBondContact O-NZ 2.65Å; F468-L594 HydrophobicContact CE2-CD1 3.89Å; F468-L594 HydrophobicContact CZ-CD1 3.85Å
469	T	96.6	Very high	95.6	Very high	15 Å²	15	20.7 Å²	20.7	9%	0.092	10%	0.102	C	C	.	.			trans	-83.9	128	177.9	-56.5	0	0	0	0	109.4	N425 A428 R429 Y471 D472	N425-T469 HydrophobicContact CB-CG2 3.81Å; N425-T469 VanDerWaalsContact OD1-CG2 3.29Å; N425-T469 WeakPolarHBondContact OD1-CG2 3.25Å; N425-T469 PolarHBondContact OD1-OG1 2.61Å; A428-T469 HydrophobicContact CB-CG2 4.37Å; R429-T469 HydrophobicContact CG-CG2 4.25Å; T469-Y471 PolarHBondContact O-N 2.92Å; T469-Y471 VanDerWaalsContact O-N 3.09Å; T469-D472 WeakPolarHBondContact CA-OD2 3.4Å; T469-D472 WeakPolarHBondContact CB-OD2 3.32Å; T469-D472 HydrophobicContact CG2-CB 4.39Å; T469-D472 PolarHBondContact N-OD2 3.47Å; T469-D472 PolarHBondContact O-N 3.34Å; T469-D472 VanDerWaalsContact O-N 3.09Å
470	K	97.5	Very high	95.7	Very high	46 Å²	46	20.7 Å²	20.7	20%	0.2	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	121.8	174.4	-162.5	172.2	179.4	165.4	0	109.4	R429 H589 K590 T593	R429-K470 PolarHBondContact NE-O 2.89Å; R429-K470 VanDerWaalsContact NE-O 3.14Å; R429-K470 PolarHBondContact NH2-O 3.43Å; K470-H589 PolarHBondContact NZ-O 3.23Å; K470-K590 HydrophobicContact CB-CG 4.36Å; K470-K590 HydrophobicContact CD-CG 4.34Å; K470-K590 HydrophobicContact CG-CG 4.49Å; K470-T593 WeakPolarHBondContact CE-OG1 3.38Å
471	Y	97.6	Very high	95.8	Very high	112 Å²	112	20.6 Å²	20.6	44%	0.439	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	32.1	-175.4	-45.1	-60.9	0	0	0	116	M432 T469 S475	M432-Y471 WeakPolarHBondContact CE-O 3.41Å; T469-Y471 PolarHBondContact O-N 2.92Å; T469-Y471 VanDerWaalsContact O-N 3.09Å; Y471-S475 WeakPolarHBondContact CA-OG 3.32Å
472	D	97.1	Very high	95.9	Very high	22 Å²	22	20.7 Å²	20.7	12%	0.118	10%	0.103	C	C	.	.	S	Bend	trans	-91.4	-160.6	160.7	68.1	11	0	0	0	111.5	A428 M432 T469 S474 S475	A428-D472 HydrophobicContact CB-CB 3.57Å; A428-D472 WeakPolarHBondContact O-CB 3.43Å; M432-D472 WeakPolarHBondContact CG-O 3.42Å; T469-D472 WeakPolarHBondContact CA-OD2 3.4Å; T469-D472 WeakPolarHBondContact CB-OD2 3.32Å; T469-D472 HydrophobicContact CG2-CB 4.39Å; T469-D472 PolarHBondContact N-OD2 3.47Å; T469-D472 PolarHBondContact O-N 3.34Å; T469-D472 VanDerWaalsContact O-N 3.09Å; D472-S474 PolarHBondContact O-N 3.41Å; D472-S474 WeakPolarHBondContact OD1-CA 3.36Å; D472-S474 WeakPolarHBondContact OD1-CB 3.08Å; D472-S474 PolarHBondContact OD1-N 2.85Å; D472-S474 PolarHBondContact OD1-OG 2.86Å; D472-S475 WeakPolarHBondContact O-CA 3.18Å; D472-S475 WeakPolarHBondContact O-CB 3.36Å; D472-S475 PolarHBondContact O-N 3.24Å
473	C	97	Very high	95.9	Very high	25 Å²	25	19.7 Å²	19.7	17%	0.169	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-2.9	176.6	-65.6	0	0	0	0	114.4	P309 S475	P309-C473 HydrophobicContact CB-CB 4.3Å; P309-C473 HydrophobicContact CG-CB 4.25Å; C473-S475 PolarHBondContact O-N 2.86Å
474	S	94.7	Very high	95.8	Very high	7 Å²	7	19.7 Å²	19.7	5%	0.049	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.2	162.6	88.1	0	0	0	0	112.4	S458 F468 D472 T595	S458-S474 VanDerWaalsContact OG-CA 3.3Å; S458-S474 WeakPolarHBondContact OG-CA 3.42Å; S458-S474 VanDerWaalsContact OG-CB 3.25Å; S458-S474 WeakPolarHBondContact OG-CB 3.46Å; F468-S474 WeakPolarHBondContact CD2-OG 3.27Å; D472-S474 PolarHBondContact O-N 3.41Å; D472-S474 WeakPolarHBondContact OD1-CA 3.36Å; D472-S474 WeakPolarHBondContact OD1-CB 3.08Å; D472-S474 PolarHBondContact OD1-N 2.85Å; D472-S474 PolarHBondContact OD1-OG 2.86Å; S474-T595 PolarHBondContact O-OG1 3.4Å; S474-T595 VanDerWaalsContact O-OG1 3.14Å
475	S	93	Very high	95.6	Very high	17 Å²	17	19.6 Å²	19.6	12%	0.119	10%	0.098	C	C	.	.			trans	-104.3	95.1	176.1	-50.1	0	0	0	0	108.6	Y471 D472 C473 T595	Y471-S475 WeakPolarHBondContact CA-OG 3.32Å; D472-S475 WeakPolarHBondContact O-CA 3.18Å; D472-S475 WeakPolarHBondContact O-CB 3.36Å; D472-S475 PolarHBondContact O-N 3.24Å; C473-S475 PolarHBondContact O-N 2.86Å; S475-T595 WeakPolarHBondContact CA-OG1 3.32Å
476	A	98	Very high	95.3	Very high	9 Å²	9	19.8 Å²	19.8	7%	0.074	10%	0.098	C	C	.	.	S	Bend	trans	-126.9	-174.9	177.5	0	0	0	0	0	110.3	Y436 V454 T595	Y436-A476 VanDerWaalsContact OH-CA 3.27Å; Y436-A476 WeakPolarHBondContact OH-CA 3.39Å; V454-A476 HydrophobicContact CB-CB 4.24Å; V454-A476 HydrophobicContact CG1-CB 3.79Å; V454-A476 WeakPolarHBondContact O-CB 3.44Å; A476-T595 HydrophobicContact CB-CG2 4.24Å; A476-T595 PolarHBondContact N-OG1 3.34Å; A476-T595 WeakPolarHBondContact O-CG2 3Å; A476-T595 PolarHBondContact O-OG1 3.14Å
477	D	98	Very high	95	Very high	57 Å²	57	24.2 Å²	24.2	31%	0.305	12%	0.118	S	C	.	.	S	Bend	trans	-76.5	-45.4	-179.7	-58.2	-31.6	0	0	0	111.2	Y436 L453 V454	Y436-D477 VanDerWaalsContact CE1-OD1 3.25Å; Y436-D477 WeakPolarHBondContact CE1-OD1 3.35Å; Y436-D477 PolarHBondContact OH-N 3.39Å; Y436-D477 PolarHBondContact OH-OD1 3.44Å; L453-D477 HydrophobicContact CD2-CB 4.17Å; V454-D477 PolarHBondContact N-OD2 2.92Å; V454-D477 WeakPolarHBondContact O-CB 3.2Å; V454-D477 PolarHBondContact O-N 3.03Å
478	I	97.8	Very high	94.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-145	155.1	177	57.1	176	0	0	0	111.5	W293 L294 Y297 F306 L453 V454 L455 G456 T595	W293-I478 HydrophobicContact CH2-CB 3.84Å; W293-I478 HydrophobicContact CH2-CD1 4.37Å; W293-I478 HydrophobicContact CH2-CG2 4.11Å; W293-I478 HydrophobicContact CZ3-CB 4.27Å; W293-I478 HydrophobicContact CZ3-CD1 4.18Å; L294-I478 HydrophobicContact CD2-CD1 3.68Å; Y297-I478 HydrophobicContact CD1-CD1 3.95Å; Y297-I478 HydrophobicContact CD1-CG2 4.08Å; Y297-I478 HydrophobicContact CD2-CD1 4.47Å; Y297-I478 HydrophobicContact CD2-CG2 4.32Å; Y297-I478 HydrophobicContact CE1-CD1 4.47Å; Y297-I478 HydrophobicContact CE1-CG2 3.55Å; Y297-I478 HydrophobicContact CE2-CG2 3.83Å; Y297-I478 HydrophobicContact CG-CD1 3.94Å; Y297-I478 HydrophobicContact CG-CG2 4.43Å; Y297-I478 VanDerWaalsContact CZ-CG2 3.41Å; F306-I478 HydrophobicContact CE1-CD1 4.27Å; L453-I478 HydrophobicContact CD1-CD1 4.32Å; V454-I478 PolarHBondContact O-N 3.38Å; L455-I478 WeakPolarHBondContact CA-O 3.21Å; L455-I478 HydrophobicContact CD2-CD1 3.99Å; L455-I478 HydrophobicContact CD2-CG1 3.67Å; G456-I478 PolarHBondContact N-O 3.35Å; I478-T595 VanDerWaalsContact CA-CG2 3.45Å
479	N	97.4	Very high	94.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-132	108	179	-179.6	-4.3	0	0	0	112	G456 S458 I481 G482 T595 P596 S597 Y598	G456-N479 PolarHBondContact O-OD1 3.5Å; S458-N479 PolarHBondContact N-ND2 2.75Å; S458-N479 PolarHBondContact O-ND2 3.05Å; N479-I481 VanDerWaalsContact C-N 3.27Å; N479-I481 PolarHBondContact O-N 3.28Å; N479-I481 VanDerWaalsContact OD1-CG1 3.29Å; N479-I481 WeakPolarHBondContact OD1-CG1 3.37Å; N479-I481 PolarHBondContact OD1-N 3.36Å; N479-G482 WeakPolarHBondContact ND2-CA 3.31Å; N479-G482 PolarHBondContact OD1-N 2.94Å; N479-T595 HydrophobicContact CB-CG2 3.9Å; N479-P596 PolarHBondContact N-O 2.83Å; N479-S597 CarbonylContact O-C 3.49Å; N479-S597 WeakPolarHBondContact O-CA 3.38Å; N479-S597 WeakPolarHBondContact O-CB 3.49Å; N479-Y598 PolarHBondContact O-N 3.38Å
480	P	96.3	Very high	94.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.2	-176.5	30.7	-34.4	0	0	0	114.6	W293 L294 V319 I322	W293-P480 HydrophobicContact CZ3-CB 4.31Å; L294-P480 HydrophobicContact CD1-CB 4.24Å; L294-P480 HydrophobicContact CD1-CG 4.29Å; L294-P480 HydrophobicContact CD2-CB 4.17Å; L294-P480 HydrophobicContact CD2-CG 4.41Å; L294-P480 HydrophobicContact CG-CB 4.25Å; V319-P480 HydrophobicContact CB-CG 4.4Å; V319-P480 HydrophobicContact CG1-CG 3.77Å; V319-P480 HydrophobicContact CG2-CG 4.14Å; I322-P480 HydrophobicContact CD1-CB 3.94Å; I322-P480 HydrophobicContact CD1-CG 4.29Å; I322-P480 HydrophobicContact CG2-CB 4.42Å
481	I	95.5	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	2.6	-177.2	64.5	164.8	0	0	0	114.1	D315 V319 I322 N479 S483 L484 L489	D315-I481 HydrophobicContact CB-CD1 4.01Å; D315-I481 WeakPolarHBondContact O-CD1 3.35Å; V319-I481 HydrophobicContact CG2-CD1 3.72Å; V319-I481 HydrophobicContact CG2-CG1 3.76Å; V319-I481 HydrophobicContact CG2-CG2 4.07Å; I322-I481 HydrophobicContact CD1-CG2 3.53Å; N479-I481 VanDerWaalsContact C-N 3.27Å; N479-I481 PolarHBondContact O-N 3.28Å; N479-I481 VanDerWaalsContact OD1-CG1 3.29Å; N479-I481 WeakPolarHBondContact OD1-CG1 3.37Å; N479-I481 PolarHBondContact OD1-N 3.36Å; I481-S483 PolarHBondContact O-N 2.81Å; I481-S483 VanDerWaalsContact O-N 3.08Å; I481-L484 HydrophobicContact CB-CD1 4.4Å; I481-L484 HydrophobicContact CG2-CD1 4.36Å; I481-L484 WeakPolarHBondContact O-CB 3.3Å; I481-L484 PolarHBondContact O-N 2.96Å; I481-L489 HydrophobicContact CB-CD2 4.07Å; I481-L489 HydrophobicContact CD1-CD1 4.1Å; I481-L489 HydrophobicContact CD1-CD2 4.45Å; I481-L489 HydrophobicContact CG2-CD2 4.01Å
482	G	94.3	Very high	93.9	Very high	5 Å²	5	20.8 Å²	20.8	5%	0.052	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.9	-169.5	0	0	0	0	0	115.9	S458 A460 N479	S458-G482 VanDerWaalsContact O-CA 3.29Å; S458-G482 WeakPolarHBondContact O-CA 3.05Å; A460-G482 PolarHBondContact N-O 3.3Å; N479-G482 WeakPolarHBondContact ND2-CA 3.31Å; N479-G482 PolarHBondContact OD1-N 2.94Å
483	S	93.6	Very high	93.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-6.9	175.9	58.1	0	0	0	0	114.1	I481 Y598 A600 D601	I481-S483 PolarHBondContact O-N 2.81Å; I481-S483 VanDerWaalsContact O-N 3.08Å; S483-Y598 WeakPolarHBondContact CB-O 2.98Å; S483-Y598 PolarHBondContact OG-O 3.14Å; S483-A600 WeakPolarHBondContact OG-CB 2.9Å; S483-A600 PolarHBondContact OG-N 3.39Å; S483-D601 WeakPolarHBondContact O-CB 3.16Å
484	L	92.2	Very high	93.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.109	C	C	.	.			trans	-93.7	140.4	-173.5	-56.5	-178.5	0	0	0	112.3	L192 N459 A460 I481 T488 L489 A600	L192-L484 HydrophobicContact CD1-CD2 4.06Å; N459-L484 WeakPolarHBondContact CB-O 3.27Å; A460-L484 WeakPolarHBondContact CB-O 3.1Å; A460-L484 PolarHBondContact N-O 2.89Å; I481-L484 HydrophobicContact CB-CD1 4.4Å; I481-L484 HydrophobicContact CG2-CD1 4.36Å; I481-L484 WeakPolarHBondContact O-CB 3.3Å; I481-L484 PolarHBondContact O-N 2.96Å; L484-T488 HydrophobicContact CD2-CG2 4.26Å; L484-L489 HydrophobicContact CB-CD2 3.89Å; L484-L489 HydrophobicContact CB-CG 4.26Å; L484-L489 HydrophobicContact CD1-CD2 3.81Å; L484-A600 HydrophobicContact CD2-CB 3.72Å
485	G	91	Very high	93.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	12%	0.116	C	C	.	.			trans	-83.6	162.1	172.5	0	0	0	0	0	113.1	E487 T488 L489	G485-E487 VanDerWaalsContact C-N 3.3Å; G485-E487 PolarHBondContact O-N 3.22Å; G485-T488 PolarHBondContact O-N 3.02Å; G485-L489 WeakPolarHBondContact O-CG 3.2Å; G485-L489 PolarHBondContact O-N 3.33Å; G485-L489 VanDerWaalsContact O-N 3.14Å
486	K	90	Very high	93.6	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.035	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-33.4	-176.3	-79.1	-147.3	175.3	-172.4	0	114.4	M314 D315 N459 E462 L489 R490 D528 Y536	M314-K486 HydrophobicContact CE-CB 3.74Å; M314-K486 HydrophobicContact CE-CD 3.59Å; M314-K486 HydrophobicContact CE-CG 3.72Å; D315-K486 IonicContact OD2-NZ 2.68Å; D315-K486 PolarHBondContact OD2-NZ 3.32Å; N459-K486 WeakPolarHBondContact ND2-CE 3.36Å; E462-K486 WeakPolarHBondContact OE1-CE 3.34Å; E462-K486 IonicContact OE1-NZ 3.43Å; E462-K486 PolarHBondContact OE1-NZ 2.81Å; K486-L489 PolarHBondContact O-N 3.25Å; K486-R490 PolarHBondContact O-N 3.12Å; K486-D528 IonicContact NZ-OD2 3.42Å; K486-Y536 HydrophobicContact CB-CD1 4.47Å; K486-Y536 HydrophobicContact CB-CG 4.36Å; K486-Y536 HydrophobicContact CD-CD1 3.64Å; K486-Y536 HydrophobicContact CD-CD2 3.7Å; K486-Y536 HydrophobicContact CD-CE1 3.61Å; K486-Y536 HydrophobicContact CD-CE2 3.66Å; K486-Y536 HydrophobicContact CD-CG 3.68Å; K486-Y536 VanDerWaalsContact CE-CE1 3.42Å; K486-Y536 WeakPolarHBondContact CE-OH 3.45Å; K486-Y536 HydrophobicContact CG-CD1 3.89Å; K486-Y536 HydrophobicContact CG-CE1 4.16Å; K486-Y536 HydrophobicContact CG-CG 4.12Å; K486-Y536 PolarHBondContact NZ-OH 2.96Å
487	E	88.1	Confident	93.4	Very high	96 Å²	96	24.1 Å²	24.1	45%	0.449	12%	0.118	S	C	.	.	H	α-helix	trans	-68.4	-42.5	177.9	-161.6	60.4	-131.2	0	0	111.7	G485 L489 R490 T491	G485-E487 VanDerWaalsContact C-N 3.3Å; G485-E487 PolarHBondContact O-N 3.22Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 3.03Å; E487-R490 WeakPolarHBondContact O-CB 3.2Å; E487-R490 PolarHBondContact O-N 3.15Å; E487-R490 VanDerWaalsContact O-N 3.16Å; E487-R490 IonicContact OE1-NH1 2.73Å; E487-R490 PolarHBondContact OE1-NH1 3.33Å; E487-R490 IonicContact OE2-CZ 3.57Å; E487-R490 IonicContact OE2-NH1 2.92Å; E487-R490 PolarHBondContact OE2-NH1 3.31Å; E487-T491 PolarHBondContact O-N 2.78Å; E487-T491 PolarHBondContact O-OG1 2.82Å
488	T	89.2	Confident	93.2	Very high	29 Å²	29	26.7 Å²	26.7	18%	0.178	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-42.2	175.3	-51.3	0	0	0	0	111	L192 Y286 L484 G485 R490 T491 F492	L192-T488 HydrophobicContact CD1-CG2 4.49Å; Y286-T488 HydrophobicContact CD1-CG2 4.2Å; Y286-T488 HydrophobicContact CE1-CG2 4.46Å; L484-T488 HydrophobicContact CD2-CG2 4.26Å; G485-T488 PolarHBondContact O-N 3.02Å; T488-R490 VanDerWaalsContact C-N 3.35Å; T488-R490 PolarHBondContact O-N 2.81Å; T488-T491 PolarHBondContact O-N 2.76Å; T488-F492 WeakPolarHBondContact O-CB 3.39Å; T488-F492 PolarHBondContact O-N 3.26Å
489	L	92.5	Very high	93	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-38.4	176.3	-63.2	179.1	0	0	0	112.4	M314 D315 N459 I481 L484 G485 K486 E487 F492 L493	M314-L489 HydrophobicContact CE-CB 4.34Å; M314-L489 HydrophobicContact CG-CB 4.44Å; M314-L489 HydrophobicContact SD-CB 4.49Å; D315-L489 VanDerWaalsContact OD1-CD1 3.25Å; D315-L489 WeakPolarHBondContact OD1-CD1 3.49Å; N459-L489 HydrophobicContact CB-CD1 3.87Å; I481-L489 HydrophobicContact CB-CD2 4.07Å; I481-L489 HydrophobicContact CD1-CD1 4.1Å; I481-L489 HydrophobicContact CD1-CD2 4.45Å; I481-L489 HydrophobicContact CG2-CD2 4.01Å; L484-L489 HydrophobicContact CB-CD2 3.89Å; L484-L489 HydrophobicContact CB-CG 4.26Å; L484-L489 HydrophobicContact CD1-CD2 3.81Å; G485-L489 WeakPolarHBondContact O-CG 3.2Å; G485-L489 PolarHBondContact O-N 3.33Å; G485-L489 VanDerWaalsContact O-N 3.14Å; K486-L489 PolarHBondContact O-N 3.25Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 3.03Å; L489-F492 WeakPolarHBondContact O-CB 3.17Å; L489-F492 PolarHBondContact O-N 2.78Å; L489-L493 WeakPolarHBondContact O-CG 3.37Å; L489-L493 PolarHBondContact O-N 3.13Å
490	R	92.6	Very high	92.8	Very high	99 Å²	99	32.6 Å²	32.6	37%	0.374	16%	0.157	S	C	.	.	H	α-helix	trans	-62.2	-49.9	174.7	-173.5	-176.8	-69.2	123.5	1.9	111.4	M314 K486 E487 T488 F492 L493 V494 L509	M314-R490 HydrophobicContact SD-CB 4.03Å; K486-R490 PolarHBondContact O-N 3.12Å; E487-R490 WeakPolarHBondContact O-CB 3.2Å; E487-R490 PolarHBondContact O-N 3.15Å; E487-R490 VanDerWaalsContact O-N 3.16Å; E487-R490 IonicContact OE1-NH1 2.73Å; E487-R490 PolarHBondContact OE1-NH1 3.33Å; E487-R490 IonicContact OE2-CZ 3.57Å; E487-R490 IonicContact OE2-NH1 2.92Å; E487-R490 PolarHBondContact OE2-NH1 3.31Å; T488-R490 VanDerWaalsContact C-N 3.35Å; T488-R490 PolarHBondContact O-N 2.81Å; R490-F492 PolarHBondContact O-N 2.83Å; R490-L493 PolarHBondContact O-N 2.89Å; R490-V494 WeakPolarHBondContact O-CG2 3.38Å; R490-V494 PolarHBondContact O-N 2.81Å; R490-V494 VanDerWaalsContact O-N 3.1Å; R490-L509 HydrophobicContact CG-CD2 3.67Å
491	T	91.4	Very high	92.7	Very high	55 Å²	55	35.2 Å²	35.2	34%	0.337	18%	0.184	S	C	.	.	H	α-helix	trans	-58.1	-38.7	176.8	-59.7	0	0	0	0	111	E487 T488 V494 H495	E487-T491 PolarHBondContact O-N 2.78Å; E487-T491 PolarHBondContact O-OG1 2.82Å; T488-T491 PolarHBondContact O-N 2.76Å; T491-V494 PolarHBondContact O-N 2.73Å; T491-H495 PolarHBondContact O-N 2.93Å
492	F	92.4	Very high	92.7	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-50.9	174.7	172.3	-143.6	0	0	0	114.4	Y286 E287 S318 C321 I322 T488 L489 R490 V494 H495 C496	Y286-F492 HydrophobicContact CD2-CB 4.09Å; Y286-F492 HydrophobicContact CD2-CD1 4.26Å; Y286-F492 AromaticContact CD2-CD2 3.72Å; Y286-F492 HydrophobicContact CD2-CD2 3.72Å; Y286-F492 AromaticContact CD2-CE2 3.98Å; Y286-F492 HydrophobicContact CD2-CE2 3.98Å; Y286-F492 AromaticContact CD2-CG 3.77Å; Y286-F492 HydrophobicContact CD2-CG 3.77Å; Y286-F492 HydrophobicContact CD2-CZ 4.43Å; Y286-F492 HydrophobicContact CE1-CB 4.22Å; Y286-F492 HydrophobicContact CE2-CB 3.44Å; Y286-F492 VanDerWaalsContact CE2-CB 3.44Å; Y286-F492 HydrophobicContact CE2-CD1 4.13Å; Y286-F492 AromaticContact CE2-CD2 2.9Å; Y286-F492 HydrophobicContact CE2-CD2 2.9Å; Y286-F492 AromaticContact CE2-CE2 3.45Å; Y286-F492 HydrophobicContact CE2-CE2 3.45Å; Y286-F492 VanDerWaalsContact CE2-CE2 3.45Å; Y286-F492 AromaticContact CE2-CG 3.22Å; Y286-F492 HydrophobicContact CE2-CG 3.22Å; Y286-F492 HydrophobicContact CE2-CZ 4.3Å; Y286-F492 VanDerWaalsContact CZ-CB 3.44Å; Y286-F492 AromaticContact CZ-CD2 3.61Å; Y286-F492 AromaticContact CZ-CG 3.79Å; Y286-F492 WeakPolarHBondContact OH-CA 3.11Å; E287-F492 HydrophobicContact CB-CE2 4Å; E287-F492 HydrophobicContact CG-CE2 4Å; S318-F492 VanDerWaalsContact O-CE1 3.29Å; S318-F492 WeakPolarHBondContact O-CE1 3.37Å; C321-F492 HydrophobicContact CB-CE1 3.97Å; C321-F492 HydrophobicContact CB-CE2 4.36Å; C321-F492 HydrophobicContact CB-CZ 3.67Å; I322-F492 HydrophobicContact CD1-CE1 4.16Å; I322-F492 HydrophobicContact CG1-CE1 3.56Å; I322-F492 HydrophobicContact CG1-CZ 3.52Å; T488-F492 WeakPolarHBondContact O-CB 3.39Å; T488-F492 PolarHBondContact O-N 3.26Å; L489-F492 WeakPolarHBondContact O-CB 3.17Å; L489-F492 PolarHBondContact O-N 2.78Å; R490-F492 PolarHBondContact O-N 2.83Å; F492-V494 PolarHBondContact O-N 2.8Å; F492-H495 WeakPolarHBondContact O-CA 3.29Å; F492-H495 VanDerWaalsContact O-CB 3.31Å; F492-H495 WeakPolarHBondContact O-CB 3.35Å; F492-H495 PolarHBondContact O-N 3.08Å; F492-C496 WeakPolarHBondContact CE2-SG 3.46Å; F492-C496 PolarHBondContact O-N 3.48Å
493	L	94.2	Very high	92.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-34.6	179	-68	-171.7	0	0	0	112	M314 C321 L489 R490 C496 R497 L505 V508 L509	M314-L493 HydrophobicContact CB-CD1 4.4Å; M314-L493 HydrophobicContact CG-CD1 3.71Å; C321-L493 HydrophobicContact CB-CD2 4.34Å; L489-L493 WeakPolarHBondContact O-CG 3.37Å; L489-L493 PolarHBondContact O-N 3.13Å; R490-L493 PolarHBondContact O-N 2.89Å; L493-C496 PolarHBondContact O-N 3.35Å; L493-R497 VanDerWaalsContact O-CB 3.3Å; L493-R497 WeakPolarHBondContact O-CB 3Å; L493-R497 PolarHBondContact O-N 2.58Å; L493-L505 HydrophobicContact CD2-CD1 4.39Å; L493-L505 HydrophobicContact CD2-CD2 3.97Å; L493-L505 WeakPolarHBondContact O-CD1 3.45Å; L493-V508 HydrophobicContact CD1-CG1 4.08Å; L493-L509 HydrophobicContact CB-CD1 4.49Å; L493-L509 HydrophobicContact CB-CD2 3.92Å; L493-L509 HydrophobicContact CB-CG 4.26Å; L493-L509 HydrophobicContact CD1-CD2 4.49Å
494	V	94.1	Very high	92.6	Very high	46 Å²	46	39.1 Å²	39.1	28%	0.279	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-44	171.9	172.3	0	0	0	0	111.1	R490 T491 F492 R497 N498 L509	R490-V494 WeakPolarHBondContact O-CG2 3.38Å; R490-V494 PolarHBondContact O-N 2.81Å; R490-V494 VanDerWaalsContact O-N 3.1Å; T491-V494 PolarHBondContact O-N 2.73Å; F492-V494 PolarHBondContact O-N 2.8Å; V494-R497 PolarHBondContact O-N 2.8Å; V494-N498 WeakPolarHBondContact O-CB 3.4Å; V494-N498 PolarHBondContact O-N 2.9Å; V494-N498 PolarHBondContact O-ND2 3.02Å; V494-N498 PolarHBondContact O-OD1 3.26Å; V494-L509 HydrophobicContact CG2-CD1 3.71Å; V494-L509 HydrophobicContact CG2-CD2 4.1Å
495	H	92.7	Very high	92.8	Very high	41 Å²	41	39 Å²	39	19%	0.19	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-52.2	175.3	-177.7	75.6	0	0	0	111.7	E287 T491 F492 R497 N498 K499	E287-H495 IonicContact OE2-CD2 3.9Å; E287-H495 PolarHBondContact OE2-CD2 3.47Å; E287-H495 IonicContact OE2-NE2 2.81Å; E287-H495 PolarHBondContact OE2-NE2 2.86Å; T491-H495 PolarHBondContact O-N 2.93Å; F492-H495 WeakPolarHBondContact O-CA 3.29Å; F492-H495 VanDerWaalsContact O-CB 3.31Å; F492-H495 WeakPolarHBondContact O-CB 3.35Å; F492-H495 PolarHBondContact O-N 3.08Å; H495-R497 PolarHBondContact O-N 2.71Å; H495-N498 PolarHBondContact O-N 3.21Å; H495-K499 VanDerWaalsContact NE2-CD 3.33Å; H495-K499 WeakPolarHBondContact NE2-CD 3.43Å; H495-K499 VanDerWaalsContact O-CB 3.27Å; H495-K499 WeakPolarHBondContact O-CB 3.35Å; H495-K499 PolarHBondContact O-N 3.08Å
496	C	93.5	Very high	93.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-41.8	179.1	-76.9	0	0	0	0	112.9	C321 F492 L493 N498 K499 Y500 Y502 L505	C321-C496 HydrophobicContact CB-CB 4.26Å; F492-C496 WeakPolarHBondContact CE2-SG 3.46Å; F492-C496 PolarHBondContact O-N 3.48Å; L493-C496 PolarHBondContact O-N 3.35Å; C496-N498 VanDerWaalsContact C-N 3.33Å; C496-N498 PolarHBondContact O-N 3Å; C496-K499 PolarHBondContact O-N 3.25Å; C496-Y500 HydrophobicContact CB-CD2 4.22Å; C496-Y500 WeakPolarHBondContact O-CB 3.24Å; C496-Y500 PolarHBondContact O-N 2.9Å; C496-Y502 HydrophobicContact CB-CD2 4.47Å; C496-L505 HydrophobicContact CB-CD1 3.85Å
497	R	95	Very high	93.3	Very high	63 Å²	63	45.8 Å²	45.8	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-48.4	175.5	-174.6	-164.5	67.9	-159.7	-5.1	110.7	L493 V494 H495 G501 L505	L493-R497 VanDerWaalsContact O-CB 3.3Å; L493-R497 WeakPolarHBondContact O-CB 3Å; L493-R497 PolarHBondContact O-N 2.58Å; V494-R497 PolarHBondContact O-N 2.8Å; H495-R497 PolarHBondContact O-N 2.71Å; R497-G501 VanDerWaalsContact O-CA 3.28Å; R497-G501 WeakPolarHBondContact O-CA 3.2Å; R497-G501 PolarHBondContact O-N 3.47Å; R497-L505 HydrophobicContact CB-CB 4.09Å; R497-L505 HydrophobicContact CB-CD1 4.1Å; R497-L505 HydrophobicContact CG-CB 4.35Å
498	N	93.9	Very high	93.6	Very high	110 Å²	110	41.4 Å²	41.4	59%	0.588	23%	0.226	S	C	*	.	H	α-helix	trans	-72.3	-38	-176.3	-64	-12.2	0	0	0	112.5	V494 H495 C496	V494-N498 WeakPolarHBondContact O-CB 3.4Å; V494-N498 PolarHBondContact O-N 2.9Å; V494-N498 PolarHBondContact O-ND2 3.02Å; V494-N498 PolarHBondContact O-OD1 3.26Å; H495-N498 PolarHBondContact O-N 3.21Å; C496-N498 VanDerWaalsContact C-N 3.33Å; C496-N498 PolarHBondContact O-N 3Å
499	K	92.8	Very high	93.8	Very high	83 Å²	83	41.6 Å²	41.6	36%	0.361	23%	0.225	S	C	.	.	H	α-helix	trans	-79.6	-42.9	-176.4	179.9	177.3	173.4	-169.2	0	113.2	E287 H495 C496	E287-K499 IonicContact OE1-NZ 3.77Å; E287-K499 PolarHBondContact OE1-NZ 3.46Å; E287-K499 IonicContact OE2-NZ 2.93Å; E287-K499 PolarHBondContact OE2-NZ 2.93Å; H495-K499 VanDerWaalsContact NE2-CD 3.33Å; H495-K499 WeakPolarHBondContact NE2-CD 3.43Å; H495-K499 VanDerWaalsContact O-CB 3.27Å; H495-K499 WeakPolarHBondContact O-CB 3.35Å; H495-K499 PolarHBondContact O-N 3.08Å; C496-K499 PolarHBondContact O-N 3.25Å
500	Y	94	Very high	93.8	Very high	44 Å²	44	46 Å²	46	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-105.3	-8.7	-172.7	-61	-55.6	0	0	0	114.1	E287 H328 C496 Y502	E287-Y500 WeakPolarHBondContact OE1-CE2 3.23Å; E287-Y500 VanDerWaalsContact OE1-CZ 3.3Å; E287-Y500 PolarHBondContact OE1-OH 3.37Å; H328-Y500 HydrophobicContact CB-CE1 4.2Å; H328-Y500 AromaticContact CD2-CD1 3.68Å; H328-Y500 AromaticContact CD2-CE1 3.38Å; H328-Y500 WeakPolarHBondContact CD2-CE1 3.44Å; H328-Y500 AromaticContact CD2-CZ 3.67Å; H328-Y500 AromaticContact CE1-CD1 3.42Å; H328-Y500 VanDerWaalsContact CE1-CD1 3.42Å; H328-Y500 WeakPolarHBondContact CE1-CD1 3.41Å; H328-Y500 AromaticContact CE1-CE1 3.64Å; H328-Y500 AromaticContact CG-CE1 3.53Å; H328-Y500 AromaticContact ND1-CD1 3.95Å; H328-Y500 AromaticContact ND1-CE1 3.7Å; H328-Y500 AromaticContact NE2-CD1 3.23Å; H328-Y500 WeakPolarHBondContact NE2-CD1 3.42Å; H328-Y500 AromaticContact NE2-CE1 3.46Å; H328-Y500 WeakPolarHBondContact NE2-CE1 3.39Å; H328-Y500 AromaticContact NE2-CG 3.7Å; C496-Y500 HydrophobicContact CB-CD2 4.22Å; C496-Y500 WeakPolarHBondContact O-CB 3.24Å; C496-Y500 PolarHBondContact O-N 2.9Å; Y500-Y502 VanDerWaalsContact C-N 3.33Å; Y500-Y502 VanDerWaalsContact CB-CE2 3.46Å; Y500-Y502 HydrophobicContact CD2-CD2 4.41Å; Y500-Y502 AromaticContact CD2-CE2 3.78Å; Y500-Y502 HydrophobicContact CD2-CE2 3.78Å; Y500-Y502 AromaticContact CG-CE2 3.88Å; Y500-Y502 HydrophobicContact CG-CE2 3.88Å
501	G	94.3	Very high	93.6	Very high	56 Å²	56	43.9 Å²	43.9	58%	0.577	25%	0.25	S	S	*	.			trans	74.2	20.8	178.7	0	0	0	0	0	114.3	R497 A503	R497-G501 VanDerWaalsContact O-CA 3.28Å; R497-G501 WeakPolarHBondContact O-CA 3.2Å; R497-G501 PolarHBondContact O-N 3.47Å; G501-A503 VanDerWaalsContact C-N 3.3Å; G501-A503 PolarHBondContact O-N 3.15Å
502	Y	94.9	Very high	93.3	Very high	13 Å²	13	50.2 Å²	50.2	5%	0.051	27%	0.268	C	S	.	.			trans	-71	82	176.5	-57.3	-33.1	0	0	0	111	A324 H328 D378 I379 C496 Y500 S504 L505	A324-Y502 HydrophobicContact CB-CE2 4.21Å; H328-Y502 AromaticContact NE2-CZ 3.9Å; H328-Y502 PolarHBondContact NE2-OH 3.22Å; D378-Y502 HydrophobicContact CB-CD1 4Å; I379-Y502 HydrophobicContact CG2-CD1 4.35Å; I379-Y502 HydrophobicContact CG2-CD2 4.2Å; I379-Y502 HydrophobicContact CG2-CE1 4.07Å; I379-Y502 HydrophobicContact CG2-CE2 3.92Å; I379-Y502 HydrophobicContact CG2-CG 4.41Å; C496-Y502 HydrophobicContact CB-CD2 4.47Å; Y500-Y502 VanDerWaalsContact C-N 3.33Å; Y500-Y502 VanDerWaalsContact CB-CE2 3.46Å; Y500-Y502 HydrophobicContact CD2-CD2 4.41Å; Y500-Y502 AromaticContact CD2-CE2 3.78Å; Y500-Y502 HydrophobicContact CD2-CE2 3.78Å; Y500-Y502 AromaticContact CG-CE2 3.88Å; Y500-Y502 HydrophobicContact CG-CE2 3.88Å; Y502-S504 PolarHBondContact O-N 3.27Å; Y502-L505 HydrophobicContact CD2-CD1 4.25Å; Y502-L505 WeakPolarHBondContact O-CB 3.38Å; Y502-L505 PolarHBondContact O-N 3.36Å; Y502-L505 VanDerWaalsContact O-N 3.13Å
503	A	92.6	Very high	93	Very high	71 Å²	71	52.2 Å²	52.2	59%	0.587	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.5	-173.3	0	0	0	0	0	112.8	D378 G501 L505 Q506	D378-A503 PolarHBondContact OD2-N 3.03Å; G501-A503 VanDerWaalsContact C-N 3.3Å; G501-A503 PolarHBondContact O-N 3.15Å; A503-L505 PolarHBondContact O-N 3.03Å; A503-L505 VanDerWaalsContact O-N 3.15Å; A503-Q506 WeakPolarHBondContact O-CB 3.38Å; A503-Q506 PolarHBondContact O-N 2.76Å; A503-Q506 VanDerWaalsContact O-N 3.07Å
504	S	94.2	Very high	92.6	Very high	4 Å²	4	54 Å²	54	3%	0.028	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.8	177	56.9	0	0	0	0	114.2	L375 D378 Y502 Q506 N507 V508	L375-S504 WeakPolarHBondContact CA-OG 3.39Å; D378-S504 WeakPolarHBondContact OD2-CB 3.26Å; D378-S504 PolarHBondContact OD2-N 3.44Å; D378-S504 VanDerWaalsContact OD2-N 3.09Å; D378-S504 PolarHBondContact OD2-OG 2.96Å; Y502-S504 PolarHBondContact O-N 3.27Å; S504-Q506 PolarHBondContact O-N 2.93Å; S504-Q506 VanDerWaalsContact O-N 3.17Å; S504-N507 WeakPolarHBondContact O-CB 3.48Å; S504-N507 PolarHBondContact O-N 3.39Å; S504-V508 PolarHBondContact O-N 3.44Å
505	L	96.2	Very high	92.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-24.5	178.1	-67.1	-179.3	0	0	0	112.7	L375 L493 C496 R497 Y502 A503 N507 V508 L509	L375-L505 HydrophobicContact CD1-CD2 3.65Å; L375-L505 HydrophobicContact CD1-CG 4.14Å; L375-L505 HydrophobicContact CD2-CD2 4.11Å; L493-L505 HydrophobicContact CD2-CD1 4.39Å; L493-L505 HydrophobicContact CD2-CD2 3.97Å; L493-L505 WeakPolarHBondContact O-CD1 3.45Å; C496-L505 HydrophobicContact CB-CD1 3.85Å; R497-L505 HydrophobicContact CB-CB 4.09Å; R497-L505 HydrophobicContact CB-CD1 4.1Å; R497-L505 HydrophobicContact CG-CB 4.35Å; Y502-L505 HydrophobicContact CD2-CD1 4.25Å; Y502-L505 WeakPolarHBondContact O-CB 3.38Å; Y502-L505 PolarHBondContact O-N 3.36Å; Y502-L505 VanDerWaalsContact O-N 3.13Å; A503-L505 PolarHBondContact O-N 3.03Å; A503-L505 VanDerWaalsContact O-N 3.15Å; L505-N507 VanDerWaalsContact C-N 3.28Å; L505-N507 PolarHBondContact O-N 2.85Å; L505-V508 PolarHBondContact O-N 2.93Å; L505-L509 WeakPolarHBondContact O-CB 3.37Å; L505-L509 WeakPolarHBondContact O-CD1 3.36Å; L505-L509 VanDerWaalsContact O-CG 3.23Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 2.97Å
506	Q	96	Very high	91.9	Very high	79 Å²	79	53 Å²	53	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-40.4	173.9	-175.3	58.9	48.4	0	0	111.7	A503 S504 L509 C510	A503-Q506 WeakPolarHBondContact O-CB 3.38Å; A503-Q506 PolarHBondContact O-N 2.76Å; A503-Q506 VanDerWaalsContact O-N 3.07Å; S504-Q506 PolarHBondContact O-N 2.93Å; S504-Q506 VanDerWaalsContact O-N 3.17Å; Q506-L509 PolarHBondContact O-N 3.21Å; Q506-C510 PolarHBondContact NE2-SG 2.96Å; Q506-C510 PolarHBondContact O-N 3.39Å; Q506-C510 VanDerWaalsContact O-N 3.16Å; Q506-C510 PolarHBondContact O-SG 3.24Å
507	N	94	Very high	91.7	Very high	72 Å²	72	53.9 Å²	53.9	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-68.1	-41	179.5	-62.5	-21.6	0	0	0	110.7	N371 S504 L505 C510 M511	N371-N507 VanDerWaalsContact OD1-CB 3.32Å; N371-N507 WeakPolarHBondContact OD1-CB 3.46Å; S504-N507 WeakPolarHBondContact O-CB 3.48Å; S504-N507 PolarHBondContact O-N 3.39Å; L505-N507 VanDerWaalsContact C-N 3.28Å; L505-N507 PolarHBondContact O-N 2.85Å; N507-C510 PolarHBondContact O-N 2.84Å; N507-M511 WeakPolarHBondContact O-CG 3.35Å; N507-M511 PolarHBondContact O-N 3.21Å
508	V	94.4	Very high	91.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-44.6	176.5	-179.4	0	0	0	0	111.1	M314 N371 L493 S504 L505 C510 M511	M314-V508 HydrophobicContact CB-CG1 4.38Å; N371-V508 HydrophobicContact CB-CG2 4.2Å; L493-V508 HydrophobicContact CD1-CG1 4.08Å; S504-V508 PolarHBondContact O-N 3.44Å; L505-V508 PolarHBondContact O-N 2.93Å; V508-C510 VanDerWaalsContact C-N 3.28Å; V508-C510 PolarHBondContact O-N 2.78Å; V508-M511 PolarHBondContact O-N 3.35Å
509	L	93.9	Very high	91	Very high	32 Å²	32	47.7 Å²	47.7	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-29.9	179.2	-75.4	166.8	0	0	0	113.3	R490 L493 V494 L505 Q506	R490-L509 HydrophobicContact CG-CD2 3.67Å; L493-L509 HydrophobicContact CB-CD1 4.49Å; L493-L509 HydrophobicContact CB-CD2 3.92Å; L493-L509 HydrophobicContact CB-CG 4.26Å; L493-L509 HydrophobicContact CD1-CD2 4.49Å; V494-L509 HydrophobicContact CG2-CD1 3.71Å; V494-L509 HydrophobicContact CG2-CD2 4.1Å; L505-L509 WeakPolarHBondContact O-CB 3.37Å; L505-L509 WeakPolarHBondContact O-CD1 3.36Å; L505-L509 VanDerWaalsContact O-CG 3.23Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 2.97Å; Q506-L509 PolarHBondContact O-N 3.21Å
510	C	92	Very high	90.5	Very high	94 Å²	94	47.4 Å²	47.4	64%	0.635	28%	0.278	S	S	*	.	H	α-helix	trans	-81.5	-15.4	177.8	-70.8	0	0	0	0	113.5	Q506 N507 V508	Q506-C510 PolarHBondContact NE2-SG 2.96Å; Q506-C510 PolarHBondContact O-N 3.39Å; Q506-C510 VanDerWaalsContact O-N 3.16Å; Q506-C510 PolarHBondContact O-SG 3.24Å; N507-C510 PolarHBondContact O-N 2.84Å; V508-C510 VanDerWaalsContact C-N 3.28Å; V508-C510 PolarHBondContact O-N 2.78Å
511	M	88.2	Confident	89.6	Confident	53 Å²	53	51.1 Å²	51.1	26%	0.261	29%	0.294	S	S	.	.	S	Bend	trans	-76.6	139.2	-179.9	-77	-176	72.1	0	0	111.7	Q367 N371 N507 V508	Q367-M511 HydrophobicContact CG-CE 4.5Å; Q367-M511 HydrophobicContact CG-SD 4.03Å; N371-M511 PolarHBondContact ND2-SD 3.12Å; N507-M511 WeakPolarHBondContact O-CG 3.35Å; N507-M511 PolarHBondContact O-N 3.21Å; V508-M511 PolarHBondContact O-N 3.35Å
512	R	85.9	Confident	88.5	Confident	188 Å²	188	56.6 Å²	56.6	71%	0.709	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-79.7	136.8	166.6	-73.9	-167	-81.5	-178.8	-5.8	109.6	T514 L527	R512-T514 PolarHBondContact O-N 3.15Å; R512-L527 HydrophobicContact CB-CD2 4.06Å
513	P	86.5	Confident	87.3	Confident	44 Å²	44	59.5 Å²	59.5	29%	0.286	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-57.3	128.5	177.5	-25.7	35	0	0	0	112.8	D528 Y536	P513-D528 HydrophobicContact CB-CB 4.38Å; P513-D528 WeakPolarHBondContact CB-OD2 3.16Å; P513-D528 PolarHBondContact O-N 3.44Å; P513-Y536 HydrophobicContact CB-CE2 4.28Å; P513-Y536 HydrophobicContact CG-CE2 4.26Å
514	T	85.9	Confident	86.3	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.221	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-150.4	140	-179.8	165.8	0	0	0	0	109.5	R512 E516 Q526	R512-T514 PolarHBondContact O-N 3.15Å; T514-E516 HydrophobicContact CG2-CG 3.83Å; T514-E516 WeakPolarHBondContact OG1-CG 3.49Å; T514-E516 PolarHBondContact OG1-N 3.36Å; T514-Q526 VanDerWaalsContact CA-O 3.22Å; T514-Q526 WeakPolarHBondContact CA-O 3.48Å; T514-Q526 WeakPolarHBondContact CB-O 3.34Å; T514-Q526 PolarHBondContact OG1-O 3.1Å
515	A	84	Confident	85.4	Confident	39 Å²	39	66.8 Å²	66.8	32%	0.322	37%	0.367	S	S	.	.			trans	-81.4	-22.9	177.2	0	0	0	0	0	113.6	L517 D528	A515-L517 HydrophobicContact CB-CD1 4.28Å; A515-L517 HydrophobicContact CB-CG 4.04Å; A515-L517 WeakPolarHBondContact O-CG 3.47Å; A515-L517 PolarHBondContact O-N 3.03Å; A515-L517 VanDerWaalsContact O-N 3.15Å; A515-D528 PolarHBondContact N-OD1 3.18Å
516	E	87.3	Confident	84.7	Confident	28 Å²	28	68.1 Å²	68.1	13%	0.131	37%	0.373	C	S	.	.			trans	50.8	36	-178.3	-56.1	-175	157.1	0	0	113.5	S365 S368 T514	S365-E516 WeakPolarHBondContact CB-OE1 3.31Å; S365-E516 PolarHBondContact N-OE2 3.1Å; S365-E516 PolarHBondContact OG-OE1 2.92Å; S368-E516 PolarHBondContact OG-OE2 2.81Å; T514-E516 HydrophobicContact CG2-CG 3.83Å; T514-E516 WeakPolarHBondContact OG1-CG 3.49Å; T514-E516 PolarHBondContact OG1-N 3.36Å
517	L	89.3	Confident	84.2	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.099	36%	0.364	C	S	.	.			trans	-101.8	-15.2	-178	-61.7	-176.4	0	0	0	113.8	F410 Q424 Q427 A515	F410-L517 WeakPolarHBondContact CE1-O 3.28Å; Q424-L517 HydrophobicContact CB-CB 3.94Å; Q424-L517 HydrophobicContact CB-CD1 4.1Å; Q424-L517 HydrophobicContact CG-CB 3.73Å; Q427-L517 HydrophobicContact CB-CD2 4.35Å; Q427-L517 PolarHBondContact NE2-O 3.08Å; A515-L517 HydrophobicContact CB-CD1 4.28Å; A515-L517 HydrophobicContact CB-CG 4.04Å; A515-L517 WeakPolarHBondContact O-CG 3.47Å; A515-L517 PolarHBondContact O-N 3.03Å; A515-L517 VanDerWaalsContact O-N 3.15Å
518	A	88.4	Confident	84	Confident	14 Å²	14	63.2 Å²	63.2	12%	0.116	35%	0.349	C	S	.	.	S	Bend	trans	-124.5	152.3	179.1	0	0	0	0	0	110.6	F410 Q424	F410-A518 HydrophobicContact CD1-CB 4.04Å; F410-A518 HydrophobicContact CE1-CB 4.2Å; Q424-A518 HydrophobicContact CG-CB 4.28Å
519	P	87	Confident	83.8	Confident	29 Å²	29	67 Å²	67	19%	0.188	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-59.2	144.1	174.1	25.4	-34.9	0	0	0	110.8	Y363 F410 A412 K521	Y363-P519 HydrophobicContact CD1-CB 4.18Å; Y363-P519 HydrophobicContact CE1-CB 3.93Å; F410-P519 HydrophobicContact CB-CG 3.75Å; F410-P519 HydrophobicContact CD2-CG 4.2Å; F410-P519 VanDerWaalsContact CG-CD 3.42Å; F410-P519 HydrophobicContact CG-CG 3.93Å; A412-P519 HydrophobicContact CB-CB 4.35Å; A412-P519 HydrophobicContact CB-CG 3.76Å; P519-K521 PolarHBondContact O-N 2.79Å
520	P	82.3	Confident	83.6	Confident	77 Å²	77	71.2 Å²	71.2	50%	0.5	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-55.5	131.2	177.9	-24.2	32.6	0	0	0	111.7	K524	P520-K524 WeakPolarHBondContact CA-O 3.41Å
521	K	74.8	Confident	83.4	Confident	121 Å²	121	70.5 Å²	70.5	53%	0.526	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-90.6	119.9	176	-172.4	178.3	178.7	-178.7	0	108.8	P519 G523 K524	P519-K521 PolarHBondContact O-N 2.79Å; K521-G523 PolarHBondContact O-N 2.76Å; K521-K524 PolarHBondContact N-O 3.33Å; K521-K524 VanDerWaalsContact N-O 3.08Å; K521-K524 WeakPolarHBondContact O-CB 3.46Å; K521-K524 PolarHBondContact O-N 3.48Å
522	E	70.2	Confident	83.6	Confident	172 Å²	172	68.2 Å²	68.2	80%	0.804	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	36.2	-179.8	-60.9	168.6	-162.9	0	0	112.9	K524	E522-K524 PolarHBondContact O-N 3.04Å
523	G	70.2	Confident	84	Confident	74 Å²	74	61.3 Å²	61.3	76%	0.763	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	3.7	-177.9	0	0	0	0	0	115	K521	K521-G523 PolarHBondContact O-N 2.76Å
524	K	70.7	Confident	84.4	Confident	152 Å²	152	59.4 Å²	59.4	66%	0.661	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-98.1	131.4	174.9	-63.4	179.1	-178.1	172.7	0	110.6	P520 K521 E522	P520-K524 WeakPolarHBondContact CA-O 3.41Å; K521-K524 PolarHBondContact N-O 3.33Å; K521-K524 VanDerWaalsContact N-O 3.08Å; K521-K524 WeakPolarHBondContact O-CB 3.46Å; K521-K524 PolarHBondContact O-N 3.48Å; E522-K524 PolarHBondContact O-N 3.04Å
525	S	76.9	Confident	84.8	Confident	76 Å²	76	59 Å²	59	53%	0.531	34%	0.342	S	S	.	.			trans	-64.2	153.8	172.5	-53	0	0	0	0	111.3	L527	S525-L527 PolarHBondContact O-N 2.84Å; S525-L527 VanDerWaalsContact O-N 3.12Å
526	Q	80.5	Confident	85.2	Confident	28 Å²	28	58 Å²	58	13%	0.131	33%	0.329	C	S	.	.			trans	-69.5	100.7	174.9	-177.6	-177.9	14.1	0	0	110.2	T514 D531	T514-Q526 VanDerWaalsContact CA-O 3.22Å; T514-Q526 WeakPolarHBondContact CA-O 3.48Å; T514-Q526 WeakPolarHBondContact CB-O 3.34Å; T514-Q526 PolarHBondContact OG1-O 3.1Å; Q526-D531 WeakPolarHBondContact CG-OD2 3.31Å; Q526-D531 PolarHBondContact NE2-OD2 2.8Å
527	L	86.7	Confident	85.5	Confident	36 Å²	36	63.4 Å²	63.4	19%	0.188	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-88.8	135.4	176.8	-61.7	-177.9	0	0	0	111.1	R512 S525 E529 D530 D531	R512-L527 HydrophobicContact CB-CD2 4.06Å; S525-L527 PolarHBondContact O-N 2.84Å; S525-L527 VanDerWaalsContact O-N 3.12Å; L527-E529 PolarHBondContact O-N 2.96Å; L527-D530 HydrophobicContact CB-CB 4.29Å; L527-D530 PolarHBondContact O-N 2.85Å; L527-D531 PolarHBondContact O-N 3.03Å
528	D	89.4	Confident	85.7	Confident	12 Å²	12	62.8 Å²	62.8	6%	0.064	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-43.1	-175.5	-61	-26.8	0	0	0	112.8	Y467 K486 P513 A515 D530 D531 I532 Y536	Y467-D528 HydrophobicContact CE1-CB 3.67Å; Y467-D528 WeakPolarHBondContact CE1-OD1 3.35Å; Y467-D528 PolarHBondContact OH-OD1 2.66Å; K486-D528 IonicContact NZ-OD2 3.42Å; P513-D528 HydrophobicContact CB-CB 4.38Å; P513-D528 WeakPolarHBondContact CB-OD2 3.16Å; P513-D528 PolarHBondContact O-N 3.44Å; A515-D528 PolarHBondContact N-OD1 3.18Å; D528-D530 VanDerWaalsContact C-N 3.26Å; D528-D530 PolarHBondContact O-N 2.97Å; D528-D531 PolarHBondContact O-N 3.05Å; D528-I532 HydrophobicContact CB-CD1 4.49Å; D528-I532 WeakPolarHBondContact O-CB 3.45Å; D528-I532 WeakPolarHBondContact O-CD1 3.4Å; D528-I532 WeakPolarHBondContact O-CG1 3.5Å; D528-I532 PolarHBondContact O-N 2.73Å; D528-Y536 HydrophobicContact CB-CE2 4.13Å; D528-Y536 WeakPolarHBondContact CB-OH 3.27Å; D528-Y536 PolarHBondContact OD2-OH 3.46Å
529	E	90.4	Very high	86.1	Confident	82 Å²	82	62.1 Å²	62.1	38%	0.383	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-31.1	-179.2	-63.6	-170.3	140.4	0	0	112.6	L527 G533 L534 S535 Y536	L527-E529 PolarHBondContact O-N 2.96Å; E529-G533 WeakPolarHBondContact O-CA 3.38Å; E529-G533 PolarHBondContact O-N 3.49Å; E529-L534 PolarHBondContact O-N 3.07Å; E529-S535 WeakPolarHBondContact OE1-CA 3.19Å; E529-S535 VanDerWaalsContact OE1-CB 3.32Å; E529-S535 WeakPolarHBondContact OE1-CB 3.41Å; E529-Y536 HydrophobicContact CG-CD2 3.51Å; E529-Y536 HydrophobicContact CG-CE2 3.7Å; E529-Y536 HydrophobicContact CG-CG 4.43Å; E529-Y536 WeakPolarHBondContact OE1-CD2 3.08Å; E529-Y536 PolarHBondContact OE1-N 3.46Å
530	D	89.1	Confident	86.4	Confident	122 Å²	122	62.3 Å²	62.3	65%	0.652	35%	0.346	S	S	*	.	H	α-helix	trans	-71	-43.1	177	-70.6	-19.9	0	0	0	110.5	L527 D528 G533	L527-D530 HydrophobicContact CB-CB 4.29Å; L527-D530 PolarHBondContact O-N 2.85Å; D528-D530 VanDerWaalsContact C-N 3.26Å; D528-D530 PolarHBondContact O-N 2.97Å; D530-G533 PolarHBondContact O-N 3.39Å
531	D	87.8	Confident	86.9	Confident	79 Å²	79	60.4 Å²	60.4	42%	0.422	33%	0.333	S	S	.	.	H	α-helix	trans	-68.4	-38	176.4	-84.9	-9.7	0	0	0	112.2	Y467 Q526 L527 D528	Y467-D531 HydrophobicContact CE2-CB 3.77Å; Q526-D531 WeakPolarHBondContact CG-OD2 3.31Å; Q526-D531 PolarHBondContact NE2-OD2 2.8Å; L527-D531 PolarHBondContact O-N 3.03Å; D528-D531 PolarHBondContact O-N 3.05Å
532	I	92.1	Very high	88	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-36.8	175.1	-64.5	165.7	0	0	0	110.4	V465 Y467 D528 L534 Y536 I539 R579	V465-I532 HydrophobicContact CG2-CG2 4.2Å; Y467-I532 HydrophobicContact CD1-CD1 3.8Å; Y467-I532 HydrophobicContact CD1-CG1 4.04Å; Y467-I532 HydrophobicContact CD2-CD1 4.18Å; Y467-I532 HydrophobicContact CD2-CG1 3.47Å; Y467-I532 VanDerWaalsContact CD2-CG1 3.47Å; Y467-I532 HydrophobicContact CE1-CD1 4.29Å; Y467-I532 HydrophobicContact CE1-CG1 4.43Å; Y467-I532 HydrophobicContact CE2-CG1 3.93Å; Y467-I532 HydrophobicContact CG-CD1 3.72Å; Y467-I532 HydrophobicContact CG-CG1 3.52Å; D528-I532 HydrophobicContact CB-CD1 4.49Å; D528-I532 WeakPolarHBondContact O-CB 3.45Å; D528-I532 WeakPolarHBondContact O-CD1 3.4Å; D528-I532 WeakPolarHBondContact O-CG1 3.5Å; D528-I532 PolarHBondContact O-N 2.73Å; I532-L534 VanDerWaalsContact C-N 3.31Å; I532-L534 HydrophobicContact CG2-CB 3.95Å; I532-L534 HydrophobicContact CG2-CG 4.45Å; I532-Y536 HydrophobicContact CD1-CE1 4.19Å; I532-I539 HydrophobicContact CD1-CD1 4.49Å; I532-I539 HydrophobicContact CG2-CD1 3.91Å; I532-R579 PolarHBondContact O-NE 2.96Å; I532-R579 PolarHBondContact O-NH2 2.86Å
533	G	93.7	Very high	89.2	Confident	44 Å²	44	46.6 Å²	46.6	45%	0.454	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	16.8	-172.6	0	0	0	0	0	113.8	E529 D530	E529-G533 WeakPolarHBondContact O-CA 3.38Å; E529-G533 PolarHBondContact O-N 3.49Å; D530-G533 PolarHBondContact O-N 3.39Å
534	L	95	Very high	90.2	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-144.2	142.6	177.1	-63.8	170	0	0	0	108.2	E529 I532 I539 M542 K576 R579 Y580	E529-L534 PolarHBondContact O-N 3.07Å; I532-L534 VanDerWaalsContact C-N 3.31Å; I532-L534 HydrophobicContact CG2-CB 3.95Å; I532-L534 HydrophobicContact CG2-CG 4.45Å; L534-I539 HydrophobicContact CB-CD1 4.06Å; L534-I539 HydrophobicContact CB-CG1 3.9Å; L534-I539 HydrophobicContact CD1-CG1 4.05Å; L534-M542 HydrophobicContact CD1-CE 3.89Å; L534-M542 HydrophobicContact CD2-CE 4.01Å; L534-M542 HydrophobicContact CG-CE 4.48Å; L534-K576 HydrophobicContact CD2-CB 3.87Å; L534-K576 HydrophobicContact CD2-CG 3.93Å; L534-R579 HydrophobicContact CD1-CG 4.16Å; L534-R579 HydrophobicContact CD2-CB 4.4Å; L534-R579 HydrophobicContact CD2-CG 4.33Å; L534-R579 HydrophobicContact CG-CG 3.97Å; L534-Y580 HydrophobicContact CD1-CD2 4.37Å
535	S	94.2	Very high	91.4	Very high	29 Å²	29	37.4 Å²	37.4	20%	0.203	21%	0.211	C	C	.	.			trans	-73.2	153.6	168.5	66.3	0	0	0	0	110.5	E529 Q537 D538 I539	E529-S535 WeakPolarHBondContact OE1-CA 3.19Å; E529-S535 VanDerWaalsContact OE1-CB 3.32Å; E529-S535 WeakPolarHBondContact OE1-CB 3.41Å; S535-Q537 PolarHBondContact O-N 2.98Å; S535-D538 PolarHBondContact O-N 2.9Å; S535-D538 VanDerWaalsContact O-N 3.12Å; S535-D538 WeakPolarHBondContact OG-CB 3.17Å; S535-D538 PolarHBondContact OG-N 2.92Å; S535-D538 VanDerWaalsContact OG-N 3.12Å; S535-D538 PolarHBondContact OG-OD2 3.22Å; S535-I539 WeakPolarHBondContact O-CG1 3.4Å; S535-I539 PolarHBondContact O-N 3.18Å
536	Y	93.1	Very high	92.3	Very high	16 Å²	16	34 Å²	34	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-35	173.3	-72.9	-69.7	0	0	0	111.7	C461 E462 K486 P513 D528 E529 I532 I539 D540	C461-Y536 HydrophobicContact CB-CD1 3.63Å; C461-Y536 HydrophobicContact CB-CE1 4.12Å; E462-Y536 HydrophobicContact CG-CE1 4.02Å; E462-Y536 PolarHBondContact OE1-OH 3.37Å; K486-Y536 HydrophobicContact CB-CD1 4.47Å; K486-Y536 HydrophobicContact CB-CG 4.36Å; K486-Y536 HydrophobicContact CD-CD1 3.64Å; K486-Y536 HydrophobicContact CD-CD2 3.7Å; K486-Y536 HydrophobicContact CD-CE1 3.61Å; K486-Y536 HydrophobicContact CD-CE2 3.66Å; K486-Y536 HydrophobicContact CD-CG 3.68Å; K486-Y536 VanDerWaalsContact CE-CE1 3.42Å; K486-Y536 WeakPolarHBondContact CE-OH 3.45Å; K486-Y536 HydrophobicContact CG-CD1 3.89Å; K486-Y536 HydrophobicContact CG-CE1 4.16Å; K486-Y536 HydrophobicContact CG-CG 4.12Å; K486-Y536 PolarHBondContact NZ-OH 2.96Å; P513-Y536 HydrophobicContact CB-CE2 4.28Å; P513-Y536 HydrophobicContact CG-CE2 4.26Å; D528-Y536 HydrophobicContact CB-CE2 4.13Å; D528-Y536 WeakPolarHBondContact CB-OH 3.27Å; D528-Y536 PolarHBondContact OD2-OH 3.46Å; E529-Y536 HydrophobicContact CG-CD2 3.51Å; E529-Y536 HydrophobicContact CG-CE2 3.7Å; E529-Y536 HydrophobicContact CG-CG 4.43Å; E529-Y536 WeakPolarHBondContact OE1-CD2 3.08Å; E529-Y536 PolarHBondContact OE1-N 3.46Å; I532-Y536 HydrophobicContact CD1-CE1 4.19Å; Y536-I539 PolarHBondContact O-N 3.04Å; Y536-D540 WeakPolarHBondContact O-CB 3.28Å; Y536-D540 PolarHBondContact O-N 3.23Å
537	Q	93	Very high	92.8	Very high	143 Å²	143	34.5 Å²	34.5	67%	0.668	19%	0.189	S	C	*	.	H	α-helix	trans	-62.9	-43.8	174.1	-171.4	-177.5	21.6	0	0	111.9	S535 I539 D540 V541	S535-Q537 PolarHBondContact O-N 2.98Å; Q537-I539 VanDerWaalsContact C-N 3.35Å; Q537-D540 PolarHBondContact O-N 2.96Å; Q537-V541 WeakPolarHBondContact O-CG2 3.24Å; Q537-V541 PolarHBondContact O-N 3.34Å; Q537-V541 VanDerWaalsContact O-N 3.15Å
538	D	94.9	Very high	92.9	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-42.5	176.6	-73.1	-21	0	0	0	110.4	S535 M542 W564 K568 K576	S535-D538 PolarHBondContact O-N 2.9Å; S535-D538 VanDerWaalsContact O-N 3.12Å; S535-D538 WeakPolarHBondContact OG-CB 3.17Å; S535-D538 PolarHBondContact OG-N 2.92Å; S535-D538 VanDerWaalsContact OG-N 3.12Å; S535-D538 PolarHBondContact OG-OD2 3.22Å; D538-M542 HydrophobicContact CB-CE 4.06Å; D538-M542 WeakPolarHBondContact O-CB 3.44Å; D538-M542 VanDerWaalsContact O-CE 3.29Å; D538-M542 WeakPolarHBondContact O-CE 3.48Å; D538-M542 VanDerWaalsContact O-CG 3.29Å; D538-M542 WeakPolarHBondContact O-CG 3.4Å; D538-M542 PolarHBondContact O-N 2.79Å; D538-W564 HydrophobicContact CB-CH2 4.2Å; D538-W564 HydrophobicContact CB-CZ2 4.48Å; D538-K568 IonicContact OD1-NZ 2.66Å; D538-K576 WeakPolarHBondContact OD2-CD 3.44Å; D538-K576 VanDerWaalsContact OD2-CE 3.3Å; D538-K576 WeakPolarHBondContact OD2-CE 3.49Å; D538-K576 IonicContact OD2-NZ 2.55Å; D538-K576 PolarHBondContact OD2-NZ 2.67Å
539	I	95.8	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-44.9	177	-69.4	164.8	0	0	0	111.3	C461 V464 V465 I532 L534 S535 Y536 Q537 M542 N543 Y580	C461-I539 HydrophobicContact CB-CG2 3.98Å; V464-I539 HydrophobicContact CG1-CG2 3.48Å; V464-I539 VanDerWaalsContact CG1-CG2 3.48Å; V465-I539 HydrophobicContact CG1-CD1 4.07Å; V465-I539 HydrophobicContact CG1-CG1 4.2Å; V465-I539 HydrophobicContact CG2-CD1 4.34Å; I532-I539 HydrophobicContact CD1-CD1 4.49Å; I532-I539 HydrophobicContact CG2-CD1 3.91Å; L534-I539 HydrophobicContact CB-CD1 4.06Å; L534-I539 HydrophobicContact CB-CG1 3.9Å; L534-I539 HydrophobicContact CD1-CG1 4.05Å; S535-I539 WeakPolarHBondContact O-CG1 3.4Å; S535-I539 PolarHBondContact O-N 3.18Å; Y536-I539 PolarHBondContact O-N 3.04Å; Q537-I539 VanDerWaalsContact C-N 3.35Å; I539-M542 PolarHBondContact O-N 3.45Å; I539-N543 WeakPolarHBondContact O-CB 3.35Å; I539-N543 PolarHBondContact O-N 3.33Å; I539-Y580 HydrophobicContact CG2-CE2 4.4Å
540	D	92.7	Very high	93.3	Very high	33 Å²	33	41.3 Å²	41.3	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-44.8	-177.3	-162.8	52.7	0	0	0	111.6	Y536 Q537 N543 T544 R603	Y536-D540 WeakPolarHBondContact O-CB 3.28Å; Y536-D540 PolarHBondContact O-N 3.23Å; Q537-D540 PolarHBondContact O-N 2.96Å; D540-N543 PolarHBondContact O-N 3Å; D540-T544 WeakPolarHBondContact O-CB 3.37Å; D540-T544 PolarHBondContact O-N 3.05Å; D540-T544 PolarHBondContact O-OG1 2.85Å; D540-R603 IonicContact OD1-CZ 3.9Å; D540-R603 IonicContact OD1-NH1 3.85Å; D540-R603 PolarHBondContact OD1-NH1 2.85Å; D540-R603 IonicContact OD2-CZ 3.47Å; D540-R603 IonicContact OD2-NH1 3.15Å; D540-R603 PolarHBondContact OD2-NH1 3.41Å
541	V	94.5	Very high	93.6	Very high	37 Å²	37	36.1 Å²	36.1	22%	0.224	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-45.7	174.3	173.7	0	0	0	0	111.1	Q537 N543 T544 I545 L560 M563 W564	Q537-V541 WeakPolarHBondContact O-CG2 3.24Å; Q537-V541 PolarHBondContact O-N 3.34Å; Q537-V541 VanDerWaalsContact O-N 3.15Å; V541-N543 PolarHBondContact O-N 3.39Å; V541-T544 WeakPolarHBondContact O-CB 3.46Å; V541-T544 PolarHBondContact O-N 2.96Å; V541-I545 HydrophobicContact CG1-CD1 3.81Å; V541-I545 WeakPolarHBondContact O-CG1 3.48Å; V541-I545 PolarHBondContact O-N 3.48Å; V541-L560 HydrophobicContact CG1-CD2 3.94Å; V541-M563 HydrophobicContact CG1-CE 4.08Å; V541-W564 HydrophobicContact CB-CZ2 4.49Å; V541-W564 HydrophobicContact CG1-CZ2 4.27Å
542	M	96.7	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-41.4	178.9	-75.2	-172.6	-70.8	0	0	112.1	L534 D538 I539 I545 R546 M556 L560 V577 Y580	L534-M542 HydrophobicContact CD1-CE 3.89Å; L534-M542 HydrophobicContact CD2-CE 4.01Å; L534-M542 HydrophobicContact CG-CE 4.48Å; D538-M542 HydrophobicContact CB-CE 4.06Å; D538-M542 WeakPolarHBondContact O-CB 3.44Å; D538-M542 VanDerWaalsContact O-CE 3.29Å; D538-M542 WeakPolarHBondContact O-CE 3.48Å; D538-M542 VanDerWaalsContact O-CG 3.29Å; D538-M542 WeakPolarHBondContact O-CG 3.4Å; D538-M542 PolarHBondContact O-N 2.79Å; I539-M542 PolarHBondContact O-N 3.45Å; M542-I545 PolarHBondContact O-N 2.69Å; M542-R546 WeakPolarHBondContact O-CB 3.44Å; M542-R546 PolarHBondContact O-N 2.9Å; M542-M556 HydrophobicContact CB-CE 4.13Å; M542-M556 HydrophobicContact CB-SD 3.75Å; M542-M556 HydrophobicContact CG-SD 3.65Å; M542-M556 WeakPolarHBondContact O-CE 3.3Å; M542-M556 HydrophobicContact SD-SD 3.97Å; M542-L560 HydrophobicContact CG-CD1 4.02Å; M542-L560 HydrophobicContact SD-CD1 4.44Å; M542-V577 HydrophobicContact SD-CG2 4.49Å; M542-Y580 HydrophobicContact CB-CD2 4.01Å; M542-Y580 HydrophobicContact CB-CE2 3.94Å; M542-Y580 HydrophobicContact CB-CG 4.33Å; M542-Y580 HydrophobicContact CE-CD2 3.79Å; M542-Y580 HydrophobicContact CE-CG 4.02Å; M542-Y580 HydrophobicContact SD-CD2 4.17Å; M542-Y580 HydrophobicContact SD-CG 3.91Å
543	N	95	Very high	94.4	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-38.7	177.2	-166	37.8	0	0	0	111.8	I539 D540 V541 R546 K547 R603	I539-N543 WeakPolarHBondContact O-CB 3.35Å; I539-N543 PolarHBondContact O-N 3.33Å; D540-N543 PolarHBondContact O-N 3Å; V541-N543 PolarHBondContact O-N 3.39Å; N543-R546 WeakPolarHBondContact O-CB 3.49Å; N543-R546 PolarHBondContact O-N 3.02Å; N543-K547 WeakPolarHBondContact O-CB 3.36Å; N543-K547 WeakPolarHBondContact O-CG 3.29Å; N543-K547 PolarHBondContact O-N 3.38Å; N543-R603 PolarHBondContact ND2-O 3.03Å; N543-R603 VanDerWaalsContact ND2-O 3.17Å
544	T	92.9	Very high	94.6	Very high	29 Å²	29	34.8 Å²	34.8	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-56.3	-53	172.5	-58.6	0	0	0	0	110.8	D540 V541 R546 K547 E548 F602 R603	D540-T544 WeakPolarHBondContact O-CB 3.37Å; D540-T544 PolarHBondContact O-N 3.05Å; D540-T544 PolarHBondContact O-OG1 2.85Å; V541-T544 WeakPolarHBondContact O-CB 3.46Å; V541-T544 PolarHBondContact O-N 2.96Å; T544-R546 VanDerWaalsContact C-N 3.32Å; T544-R546 PolarHBondContact O-N 2.84Å; T544-K547 PolarHBondContact O-N 3.09Å; T544-E548 VanDerWaalsContact O-CB 3.29Å; T544-E548 WeakPolarHBondContact O-CB 3.22Å; T544-E548 PolarHBondContact O-N 3.07Å; T544-F602 HydrophobicContact CG2-CZ 4.04Å; T544-R603 WeakPolarHBondContact OG1-CD 3.42Å; T544-R603 PolarHBondContact OG1-NH1 3.49Å
545	I	94.8	Very high	94.7	Very high	3 Å²	3	38 Å²	38	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-37.3	-179.9	-67.3	166.1	0	0	0	112.1	V541 M542 Y549 C551 M556 K559 L560 M563	V541-I545 HydrophobicContact CG1-CD1 3.81Å; V541-I545 WeakPolarHBondContact O-CG1 3.48Å; V541-I545 PolarHBondContact O-N 3.48Å; M542-I545 PolarHBondContact O-N 2.69Å; I545-Y549 HydrophobicContact CB-CD2 4.36Å; I545-Y549 HydrophobicContact CG1-CD2 4.38Å; I545-Y549 HydrophobicContact CG2-CD2 4.19Å; I545-Y549 WeakPolarHBondContact O-CB 3.39Å; I545-Y549 PolarHBondContact O-N 2.96Å; I545-C551 HydrophobicContact CG2-CB 3.73Å; I545-C551 VanDerWaalsContact CG2-SG 3.59Å; I545-M556 HydrophobicContact CG2-CG 4.34Å; I545-K559 HydrophobicContact CD1-CG 4.36Å; I545-K559 HydrophobicContact CG2-CB 4.22Å; I545-K559 HydrophobicContact CG2-CG 4.07Å; I545-L560 HydrophobicContact CD1-CD2 3.44Å; I545-L560 VanDerWaalsContact CD1-CD2 3.44Å; I545-L560 HydrophobicContact CD1-CG 4.03Å; I545-M563 HydrophobicContact CD1-CE 3.9Å; I545-M563 HydrophobicContact CD1-SD 3.65Å; I545-M563 HydrophobicContact CG1-CE 4.5Å; I545-M563 HydrophobicContact CG1-SD 4.39Å
546	R	95.8	Very high	94.9	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-43.5	175.6	175.5	-175.2	169.4	-92.4	-8.8	111.7	M542 N543 T544 G550 C551 M556 Y580 Y584 D611	M542-R546 WeakPolarHBondContact O-CB 3.44Å; M542-R546 PolarHBondContact O-N 2.9Å; N543-R546 WeakPolarHBondContact O-CB 3.49Å; N543-R546 PolarHBondContact O-N 3.02Å; T544-R546 VanDerWaalsContact C-N 3.32Å; T544-R546 PolarHBondContact O-N 2.84Å; R546-G550 VanDerWaalsContact O-CA 3.24Å; R546-G550 WeakPolarHBondContact O-CA 3.42Å; R546-G550 PolarHBondContact O-N 2.9Å; R546-C551 PolarHBondContact O-N 2.8Å; R546-M556 HydrophobicContact CB-CE 3.88Å; R546-Y580 WeakPolarHBondContact CD-OH 3.27Å; R546-Y584 PolarHBondContact NH2-OH 3.11Å; R546-D611 IonicContact CZ-OD1 2.76Å; R546-D611 IonicContact CZ-OD2 3.97Å; R546-D611 VanDerWaalsContact CZ-OD2 3.28Å; R546-D611 IonicContact NH1-OD1 2.79Å; R546-D611 IonicContact NH1-OD2 2.75Å; R546-D611 PolarHBondContact NH1-OD2 3.44Å; R546-D611 VanDerWaalsContact NH2-CG 3.35Å; R546-D611 IonicContact NH2-OD1 3.2Å; R546-D611 PolarHBondContact NH2-OD1 3.31Å; R546-D611 VanDerWaalsContact NH2-OD1 3.15Å; R546-D611 IonicContact NH2-OD2 3.72Å; R546-D611 PolarHBondContact NH2-OD2 3.38Å
547	K	91.8	Very high	95.2	Very high	40 Å²	40	35.8 Å²	35.8	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-85.6	-46.3	-173.3	-71.6	-72.8	-54.2	-157.9	0	112.7	N543 T544 F602 D604 D611	N543-K547 WeakPolarHBondContact O-CB 3.36Å; N543-K547 WeakPolarHBondContact O-CG 3.29Å; N543-K547 PolarHBondContact O-N 3.38Å; T544-K547 PolarHBondContact O-N 3.09Å; K547-F602 HydrophobicContact CB-CD2 4.36Å; K547-F602 HydrophobicContact CB-CE2 4.42Å; K547-F602 WeakPolarHBondContact CE-O 3.35Å; K547-D604 PolarHBondContact NZ-O 3.43Å; K547-D611 IonicContact NZ-OD1 2.76Å
548	E	88.8	Confident	95.4	Very high	102 Å²	102	31.1 Å²	31.1	48%	0.477	18%	0.18	S	C	.	.	H	α-helix	trans	-70.1	-44.7	-178.5	-167.5	-175.8	155	0	0	112.3	T544 F602	T544-E548 VanDerWaalsContact O-CB 3.29Å; T544-E548 WeakPolarHBondContact O-CB 3.22Å; T544-E548 PolarHBondContact O-N 3.07Å; E548-F602 HydrophobicContact CB-CE2 4Å
549	Y	93.1	Very high	95.5	Very high	112 Å²	112	34.8 Å²	34.8	44%	0.439	20%	0.195	S	C	.	.	S	Bend	trans	-107	3.3	-173.7	-53.9	-61.6	0	0	0	114	I545 C551	I545-Y549 HydrophobicContact CB-CD2 4.36Å; I545-Y549 HydrophobicContact CG1-CD2 4.38Å; I545-Y549 HydrophobicContact CG2-CD2 4.19Å; I545-Y549 WeakPolarHBondContact O-CB 3.39Å; I545-Y549 PolarHBondContact O-N 2.96Å; Y549-C551 PolarHBondContact O-N 3.31Å
550	G	94	Very high	95.5	Very high	58 Å²	58	34.8 Å²	34.8	60%	0.598	20%	0.195	S	C	*	.			trans	62.1	27.4	-178.6	0	0	0	0	0	114.1	R546 G552	R546-G550 VanDerWaalsContact O-CA 3.24Å; R546-G550 WeakPolarHBondContact O-CA 3.42Å; R546-G550 PolarHBondContact O-N 2.9Å; G550-G552 PolarHBondContact O-N 3.48Å
551	C	96.9	Very high	95.7	Very high	14 Å²	14	34.4 Å²	34.4	10%	0.095	19%	0.194	C	C	.	.			trans	-72.2	129.8	-173.2	-73.3	0	0	0	0	113.2	I545 R546 Y549 T555 M556	I545-C551 HydrophobicContact CG2-CB 3.73Å; I545-C551 VanDerWaalsContact CG2-SG 3.59Å; R546-C551 PolarHBondContact O-N 2.8Å; Y549-C551 PolarHBondContact O-N 3.31Å; C551-T555 WeakPolarHBondContact CA-OG1 3.47Å; C551-M556 HydrophobicContact CB-CB 4.08Å
552	G	97.4	Very high	95.8	Very high	28 Å²	28	37 Å²	37	29%	0.289	21%	0.211	S	C	.	.			trans	-86.5	-171.2	162.2	0	0	0	0	0	111.8	G550 F554 T555 M556 F581	G550-G552 PolarHBondContact O-N 3.48Å; G552-F554 PolarHBondContact O-N 3.26Å; G552-T555 PolarHBondContact N-OG1 2.79Å; G552-T555 PolarHBondContact O-N 3.24Å; G552-T555 PolarHBondContact O-OG1 3.05Å; G552-M556 WeakPolarHBondContact O-CB 3.02Å; G552-M556 PolarHBondContact O-N 2.91Å; G552-F581 VanDerWaalsContact C-CZ 3.48Å
553	P	98.2	Very high	95.7	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-57.2	-49.7	-173.8	-20.1	25.9	0	0	0	114.1	F557 V577 F581 W621 Q624 F625 I628	P553-F557 PolarHBondContact O-N 3.14Å; P553-V577 HydrophobicContact CB-CG1 4.44Å; P553-V577 WeakPolarHBondContact O-CG1 3.43Å; P553-F581 VanDerWaalsContact CA-CE2 3.4Å; P553-F581 HydrophobicContact CB-CD2 3.78Å; P553-F581 HydrophobicContact CB-CE2 4.01Å; P553-F581 HydrophobicContact CB-CG 4.09Å; P553-F581 HydrophobicContact CB-CZ 4.49Å; P553-F581 HydrophobicContact CG-CB 4.3Å; P553-F581 HydrophobicContact CG-CD1 3.72Å; P553-F581 HydrophobicContact CG-CD2 3.84Å; P553-F581 HydrophobicContact CG-CE1 3.93Å; P553-F581 HydrophobicContact CG-CE2 4.05Å; P553-F581 HydrophobicContact CG-CG 3.68Å; P553-F581 HydrophobicContact CG-CZ 4.09Å; P553-W621 HydrophobicContact CG-CD2 4.13Å; P553-W621 HydrophobicContact CG-CE3 3.76Å; P553-W621 HydrophobicContact CG-CZ3 4.09Å; P553-Q624 HydrophobicContact CB-CB 3.99Å; P553-Q624 HydrophobicContact CG-CB 3.93Å; P553-Q624 HydrophobicContact CG-CG 4.15Å; P553-F625 HydrophobicContact CB-CD1 4.32Å; P553-F625 HydrophobicContact CB-CE1 4.05Å; P553-F625 HydrophobicContact CG-CE1 4.45Å; P553-I628 HydrophobicContact CB-CD1 4.17Å
554	F	98.2	Very high	95.7	Very high	65 Å²	65	42.4 Å²	42.4	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-68.8	-43.8	-176.7	179.7	-105.9	0	0	0	112.6	G552 F557 C558 K627 I628 E631	G552-F554 PolarHBondContact O-N 3.26Å; F554-F557 WeakPolarHBondContact O-CB 3.48Å; F554-F557 PolarHBondContact O-N 3.39Å; F554-C558 PolarHBondContact O-N 2.96Å; F554-C558 PolarHBondContact O-SG 2.95Å; F554-K627 HydrophobicContact CD2-CB 3.67Å; F554-K627 HydrophobicContact CE2-CB 4.05Å; F554-K627 HydrophobicContact CG-CB 4.19Å; F554-I628 HydrophobicContact CB-CG1 4.44Å; F554-I628 HydrophobicContact CD2-CG1 4.05Å; F554-E631 HydrophobicContact CE2-CB 4.04Å; F554-E631 HydrophobicContact CE2-CG 4.45Å
555	T	98	Very high	95.7	Very high	69 Å²	69	49.1 Å²	49.1	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-70.9	-33.5	179.8	49.3	0	0	0	0	112	C551 G552 C558 K559	C551-T555 WeakPolarHBondContact CA-OG1 3.47Å; G552-T555 PolarHBondContact N-OG1 2.79Å; G552-T555 PolarHBondContact O-N 3.24Å; G552-T555 PolarHBondContact O-OG1 3.05Å; T555-C558 PolarHBondContact O-N 3.44Å; T555-K559 WeakPolarHBondContact O-CB 3.5Å; T555-K559 PolarHBondContact O-N 3.02Å
556	M	98.3	Very high	95.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-47.6	170.8	-177.3	-179.5	-67.6	0	0	111.2	M542 I545 R546 C551 G552 C558 K559 L560 V577 Y580 F581	M542-M556 HydrophobicContact CB-CE 4.13Å; M542-M556 HydrophobicContact CB-SD 3.75Å; M542-M556 HydrophobicContact CG-SD 3.65Å; M542-M556 WeakPolarHBondContact O-CE 3.3Å; M542-M556 HydrophobicContact SD-SD 3.97Å; I545-M556 HydrophobicContact CG2-CG 4.34Å; R546-M556 HydrophobicContact CB-CE 3.88Å; C551-M556 HydrophobicContact CB-CB 4.08Å; G552-M556 WeakPolarHBondContact O-CB 3.02Å; G552-M556 PolarHBondContact O-N 2.91Å; M556-C558 VanDerWaalsContact C-N 3.32Å; M556-C558 PolarHBondContact O-N 3.27Å; M556-K559 PolarHBondContact O-N 2.86Å; M556-L560 HydrophobicContact CG-CD1 3.82Å; M556-L560 HydrophobicContact CG-CG 4.29Å; M556-L560 WeakPolarHBondContact O-CB 3.28Å; M556-L560 VanDerWaalsContact O-CG 3.3Å; M556-L560 WeakPolarHBondContact O-CG 3.38Å; M556-L560 PolarHBondContact O-N 3.41Å; M556-L560 HydrophobicContact SD-CD1 4.5Å; M556-V577 HydrophobicContact CG-CG2 4.23Å; M556-V577 HydrophobicContact SD-CG1 4.39Å; M556-V577 HydrophobicContact SD-CG2 4.34Å; M556-Y580 HydrophobicContact CE-CD1 4.35Å; M556-Y580 HydrophobicContact CE-CE1 3.96Å; M556-Y580 HydrophobicContact SD-CD1 4.29Å; M556-Y580 HydrophobicContact SD-CE1 4.46Å; M556-F581 HydrophobicContact CB-CE2 4.3Å; M556-F581 HydrophobicContact CE-CE2 3.59Å; M556-F581 HydrophobicContact CE-CZ 3.8Å; M556-F581 HydrophobicContact SD-CD2 4.44Å; M556-F581 HydrophobicContact SD-CE2 3.64Å; M556-F581 HydrophobicContact SD-CZ 4.44Å
557	F	98.1	Very high	95.3	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-55.6	-47.4	174.1	169.9	-107.7	0	0	0	111.8	P553 F554 K559 L560 L561 P570 I573 A574 V577 I628 E631 V632	P553-F557 PolarHBondContact O-N 3.14Å; F554-F557 WeakPolarHBondContact O-CB 3.48Å; F554-F557 PolarHBondContact O-N 3.39Å; F557-K559 VanDerWaalsContact C-N 3.33Å; F557-K559 PolarHBondContact O-N 2.95Å; F557-L560 PolarHBondContact O-N 3.13Å; F557-L561 HydrophobicContact CD1-CD1 4.2Å; F557-L561 HydrophobicContact CD2-CG 4.49Å; F557-L561 HydrophobicContact CE1-CD1 3.66Å; F557-L561 HydrophobicContact CE1-CG 4.32Å; F557-L561 HydrophobicContact CE2-CD1 4.26Å; F557-L561 HydrophobicContact CE2-CD2 3.99Å; F557-L561 HydrophobicContact CE2-CG 4.03Å; F557-L561 HydrophobicContact CZ-CD1 3.69Å; F557-L561 HydrophobicContact CZ-CD2 3.9Å; F557-L561 HydrophobicContact CZ-CG 3.95Å; F557-L561 WeakPolarHBondContact O-CG 3.23Å; F557-L561 PolarHBondContact O-N 2.95Å; F557-L561 VanDerWaalsContact O-N 3.09Å; F557-P570 WeakPolarHBondContact CE2-O 2.97Å; F557-I573 HydrophobicContact CD2-CB 4.3Å; F557-I573 HydrophobicContact CD2-CG2 3.89Å; F557-I573 HydrophobicContact CE2-CB 4.21Å; F557-I573 HydrophobicContact CE2-CG2 4.25Å; F557-A574 HydrophobicContact CD2-CB 4.15Å; F557-A574 HydrophobicContact CE2-CB 3.9Å; F557-V577 HydrophobicContact CB-CG1 4.43Å; F557-V577 HydrophobicContact CB-CG2 4.32Å; F557-I628 HydrophobicContact CB-CD1 4.17Å; F557-I628 HydrophobicContact CB-CG1 4.08Å; F557-I628 HydrophobicContact CD1-CG1 4.29Å; F557-I628 HydrophobicContact CD1-CG2 4.06Å; F557-I628 HydrophobicContact CD2-CG2 4.11Å; F557-I628 HydrophobicContact CE1-CG2 4.28Å; F557-I628 HydrophobicContact CE2-CG2 4.36Å; F557-I628 HydrophobicContact CG-CG1 4.26Å; F557-I628 HydrophobicContact CG-CG2 3.96Å; F557-I628 HydrophobicContact CZ-CG2 4.43Å; F557-E631 HydrophobicContact CD1-CG 4.42Å; F557-E631 HydrophobicContact CE1-CB 3.88Å; F557-E631 HydrophobicContact CE1-CG 3.65Å; F557-V632 HydrophobicContact CE1-CG2 4.27Å; F557-V632 HydrophobicContact CE2-CG2 4.01Å; F557-V632 HydrophobicContact CZ-CG2 3.53Å
558	C	97.2	Very high	95.4	Very high	45 Å²	45	60.5 Å²	60.5	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-38.1	178.2	-64.8	0	0	0	0	113.1	F554 T555 M556 P562	F554-C558 PolarHBondContact O-N 2.96Å; F554-C558 PolarHBondContact O-SG 2.95Å; T555-C558 PolarHBondContact O-N 3.44Å; M556-C558 VanDerWaalsContact C-N 3.32Å; M556-C558 PolarHBondContact O-N 3.27Å; C558-P562 WeakPolarHBondContact O-CD 3.45Å
559	K	96.9	Very high	95.7	Very high	82 Å²	82	61.6 Å²	61.6	36%	0.357	34%	0.342	S	S	.	.	H	α-helix	trans	-70.9	-38.1	178.1	-165.8	80.2	172.1	-168.8	0	111.7	I545 T555 M556 F557 P562 M563	I545-K559 HydrophobicContact CD1-CG 4.36Å; I545-K559 HydrophobicContact CG2-CB 4.22Å; I545-K559 HydrophobicContact CG2-CG 4.07Å; T555-K559 WeakPolarHBondContact O-CB 3.5Å; T555-K559 PolarHBondContact O-N 3.02Å; M556-K559 PolarHBondContact O-N 2.86Å; F557-K559 VanDerWaalsContact C-N 3.33Å; F557-K559 PolarHBondContact O-N 2.95Å; K559-P562 VanDerWaalsContact O-CD 3.28Å; K559-P562 WeakPolarHBondContact O-CD 3.49Å; K559-P562 WeakPolarHBondContact O-CG 3.41Å; K559-M563 HydrophobicContact CG-SD 3.96Å; K559-M563 VanDerWaalsContact O-CG 3.28Å; K559-M563 WeakPolarHBondContact O-CG 3.41Å
560	L	97.4	Very high	95.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-73.6	-29.7	-179.2	-72.5	174	0	0	0	113.6	V541 M542 I545 M556 F557 M563 W564 I573 V577	V541-L560 HydrophobicContact CG1-CD2 3.94Å; M542-L560 HydrophobicContact CG-CD1 4.02Å; M542-L560 HydrophobicContact SD-CD1 4.44Å; I545-L560 HydrophobicContact CD1-CD2 3.44Å; I545-L560 VanDerWaalsContact CD1-CD2 3.44Å; I545-L560 HydrophobicContact CD1-CG 4.03Å; M556-L560 HydrophobicContact CG-CD1 3.82Å; M556-L560 HydrophobicContact CG-CG 4.29Å; M556-L560 WeakPolarHBondContact O-CB 3.28Å; M556-L560 VanDerWaalsContact O-CG 3.3Å; M556-L560 WeakPolarHBondContact O-CG 3.38Å; M556-L560 PolarHBondContact O-N 3.41Å; M556-L560 HydrophobicContact SD-CD1 4.5Å; F557-L560 PolarHBondContact O-N 3.13Å; L560-M563 PolarHBondContact O-N 3.43Å; L560-W564 HydrophobicContact CB-CD2 4.45Å; L560-W564 HydrophobicContact CB-CE3 4.23Å; L560-W564 HydrophobicContact CD1-CE3 4.33Å; L560-W564 HydrophobicContact CD1-CH2 4.03Å; L560-W564 HydrophobicContact CD1-CZ3 3.91Å; L560-W564 HydrophobicContact CD2-CD2 3.99Å; L560-W564 HydrophobicContact CD2-CE3 4.25Å; L560-W564 HydrophobicContact CD2-CH2 4.12Å; L560-W564 HydrophobicContact CD2-CZ2 3.8Å; L560-W564 HydrophobicContact CD2-CZ3 4.33Å; L560-W564 WeakPolarHBondContact O-CB 3.45Å; L560-W564 PolarHBondContact O-N 3.4Å; L560-I573 HydrophobicContact CB-CG2 3.62Å; L560-I573 HydrophobicContact CD1-CG2 4.16Å; L560-V577 HydrophobicContact CD1-CG2 3.61Å
561	L	96.4	Very high	96	Very high	26 Å²	26	61.8 Å²	61.8	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-51.1	-53.9	177.5	-80.9	167.9	0	0	0	113.9	F557 K565 P570 I573 K635	F557-L561 HydrophobicContact CD1-CD1 4.2Å; F557-L561 HydrophobicContact CD2-CG 4.49Å; F557-L561 HydrophobicContact CE1-CD1 3.66Å; F557-L561 HydrophobicContact CE1-CG 4.32Å; F557-L561 HydrophobicContact CE2-CD1 4.26Å; F557-L561 HydrophobicContact CE2-CD2 3.99Å; F557-L561 HydrophobicContact CE2-CG 4.03Å; F557-L561 HydrophobicContact CZ-CD1 3.69Å; F557-L561 HydrophobicContact CZ-CD2 3.9Å; F557-L561 HydrophobicContact CZ-CG 3.95Å; F557-L561 WeakPolarHBondContact O-CG 3.23Å; F557-L561 PolarHBondContact O-N 2.95Å; F557-L561 VanDerWaalsContact O-N 3.09Å; L561-K565 PolarHBondContact O-N 2.72Å; L561-P570 HydrophobicContact CD2-CB 3.79Å; L561-P570 HydrophobicContact CD2-CG 3.94Å; L561-I573 HydrophobicContact CD2-CD1 4.23Å; L561-K635 HydrophobicContact CD1-CD 4.03Å; L561-K635 VanDerWaalsContact CD1-CE 3.42Å; L561-K635 HydrophobicContact CD2-CD 4.21Å
562	P	95.7	Very high	96	Very high	90 Å²	90	66 Å²	66	58%	0.584	35%	0.35	S	S	*	.	H	α-helix	trans	-70.9	-35.7	174.7	26.9	-33.9	0	0	0	112.5	C558 K559 W564 K565	C558-P562 WeakPolarHBondContact O-CD 3.45Å; K559-P562 VanDerWaalsContact O-CD 3.28Å; K559-P562 WeakPolarHBondContact O-CD 3.49Å; K559-P562 WeakPolarHBondContact O-CG 3.41Å; P562-W564 VanDerWaalsContact C-N 3.35Å; P562-W564 PolarHBondContact O-N 3.4Å; P562-K565 WeakPolarHBondContact O-CB 3.3Å; P562-K565 PolarHBondContact O-N 3.05Å
563	M	94.7	Very high	96	Very high	95 Å²	95	64.8 Å²	64.8	47%	0.468	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-34.2	-177.7	-69.4	175.6	66.8	0	0	113.3	V541 I545 K559 L560	V541-M563 HydrophobicContact CG1-CE 4.08Å; I545-M563 HydrophobicContact CD1-CE 3.9Å; I545-M563 HydrophobicContact CD1-SD 3.65Å; I545-M563 HydrophobicContact CG1-CE 4.5Å; I545-M563 HydrophobicContact CG1-SD 4.39Å; K559-M563 HydrophobicContact CG-SD 3.96Å; K559-M563 VanDerWaalsContact O-CG 3.28Å; K559-M563 WeakPolarHBondContact O-CG 3.41Å; L560-M563 PolarHBondContact O-N 3.43Å
564	W	95.9	Very high	95.9	Very high	22 Å²	22	64.5 Å²	64.5	8%	0.083	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	12.9	-179.4	-66.3	-12.5	0	0	0	112.8	D538 V541 L560 P562 G566 H567 K568 I573 K576	D538-W564 HydrophobicContact CB-CH2 4.2Å; D538-W564 HydrophobicContact CB-CZ2 4.48Å; V541-W564 HydrophobicContact CB-CZ2 4.49Å; V541-W564 HydrophobicContact CG1-CZ2 4.27Å; L560-W564 HydrophobicContact CB-CD2 4.45Å; L560-W564 HydrophobicContact CB-CE3 4.23Å; L560-W564 HydrophobicContact CD1-CE3 4.33Å; L560-W564 HydrophobicContact CD1-CH2 4.03Å; L560-W564 HydrophobicContact CD1-CZ3 3.91Å; L560-W564 HydrophobicContact CD2-CD2 3.99Å; L560-W564 HydrophobicContact CD2-CE3 4.25Å; L560-W564 HydrophobicContact CD2-CH2 4.12Å; L560-W564 HydrophobicContact CD2-CZ2 3.8Å; L560-W564 HydrophobicContact CD2-CZ3 4.33Å; L560-W564 WeakPolarHBondContact O-CB 3.45Å; L560-W564 PolarHBondContact O-N 3.4Å; P562-W564 VanDerWaalsContact C-N 3.35Å; P562-W564 PolarHBondContact O-N 3.4Å; W564-G566 PolarHBondContact O-N 3.48Å; W564-H567 PolarHBondContact O-N 3.28Å; W564-K568 HydrophobicContact CB-CB 4.4Å; W564-K568 HydrophobicContact CD2-CD 4.05Å; W564-K568 HydrophobicContact CE3-CD 3.59Å; W564-K568 HydrophobicContact CZ3-CD 3.94Å; W564-K568 PolarHBondContact O-N 3.49Å; W564-K568 VanDerWaalsContact O-N 3.08Å; W564-I573 HydrophobicContact CB-CD1 3.88Å; W564-I573 HydrophobicContact CE3-CB 4.41Å; W564-I573 HydrophobicContact CE3-CD1 4.17Å; W564-I573 HydrophobicContact CE3-CG1 3.92Å; W564-I573 HydrophobicContact CE3-CG2 3.99Å; W564-I573 HydrophobicContact CZ3-CG2 4.22Å; W564-K576 HydrophobicContact CH2-CD 4.45Å; W564-K576 HydrophobicContact CZ3-CD 4.05Å
565	K	91.6	Very high	95.9	Very high	171 Å²	171	65.5 Å²	65.5	74%	0.743	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	129	176.6	-173	179	178.9	-177.1	0	109.9	L561 P562 H567	L561-K565 PolarHBondContact O-N 2.72Å; P562-K565 WeakPolarHBondContact O-CB 3.3Å; P562-K565 PolarHBondContact O-N 3.05Å; K565-H567 VanDerWaalsContact C-N 3.25Å; K565-H567 PolarHBondContact O-N 2.82Å
566	G	91	Very high	95.9	Very high	78 Å²	78	64.5 Å²	64.5	80%	0.804	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-10.5	-177.4	0	0	0	0	0	115	W564	W564-G566 PolarHBondContact O-N 3.48Å
567	H	92.7	Very high	95.9	Very high	156 Å²	156	64.5 Å²	64.5	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-30.9	176.1	-60.4	-68.2	0	0	0	113.1	W564 K565	W564-H567 PolarHBondContact O-N 3.28Å; K565-H567 VanDerWaalsContact C-N 3.25Å; K565-H567 PolarHBondContact O-N 2.82Å
568	K	93.6	Very high	95.9	Very high	52 Å²	52	66 Å²	66	23%	0.226	34%	0.34	C	S	.	.	S	Bend	trans	-144.5	138.5	-178.6	-63.4	-179.6	177.4	71.7	0	110.9	D538 W564 I573 K576	D538-K568 IonicContact OD1-NZ 2.66Å; W564-K568 HydrophobicContact CB-CB 4.4Å; W564-K568 HydrophobicContact CD2-CD 4.05Å; W564-K568 HydrophobicContact CE3-CD 3.59Å; W564-K568 HydrophobicContact CZ3-CD 3.94Å; W564-K568 PolarHBondContact O-N 3.49Å; W564-K568 VanDerWaalsContact O-N 3.08Å; K568-I573 HydrophobicContact CB-CD1 4.31Å; K568-I573 HydrophobicContact CB-CG1 3.83Å; K568-K576 HydrophobicContact CD-CD 4.04Å
569	E	95.1	Very high	95.9	Very high	125 Å²	125	67.9 Å²	67.9	58%	0.584	34%	0.34	S	S	*	.			trans	-72.8	149.1	176.4	-68.9	-55.9	133.1	0	0	111.7	K571 Q572 I573	E569-K571 PolarHBondContact O-N 3.36Å; E569-Q572 HydrophobicContact CB-CG 4.25Å; E569-Q572 WeakPolarHBondContact O-CA 3.34Å; E569-Q572 WeakPolarHBondContact O-CB 3.5Å; E569-Q572 PolarHBondContact O-N 3.32Å; E569-I573 WeakPolarHBondContact O-CG1 3.18Å; E569-I573 PolarHBondContact O-N 3.03Å
570	P	96.1	Very high	95.9	Very high	31 Å²	31	64 Å²	64	20%	0.201	32%	0.324	C	S	.	.	H	α-helix	trans	-47.4	-42.4	179.9	-30.8	36.1	0	0	0	114	F557 L561 Q572 I573 A574 K635	F557-P570 WeakPolarHBondContact CE2-O 2.97Å; L561-P570 HydrophobicContact CD2-CB 3.79Å; L561-P570 HydrophobicContact CD2-CG 3.94Å; P570-Q572 PolarHBondContact O-N 2.88Å; P570-I573 PolarHBondContact O-N 3.4Å; P570-A574 WeakPolarHBondContact O-CB 3.35Å; P570-A574 PolarHBondContact O-N 3.18Å; P570-K635 HydrophobicContact CG-CB 4.45Å; P570-K635 HydrophobicContact CG-CD 4.47Å
571	K	96.8	Very high	95.9	Very high	142 Å²	142	64.3 Å²	64.3	62%	0.617	33%	0.325	S	S	*	.	H	α-helix	trans	-63.6	-38.3	176.9	-171.9	175.9	-178	178.9	0	113.1	E569 A574 N575 V632	E569-K571 PolarHBondContact O-N 3.36Å; K571-A574 PolarHBondContact O-N 3.15Å; K571-N575 VanDerWaalsContact O-CG 3.28Å; K571-N575 PolarHBondContact O-N 3.43Å; K571-N575 VanDerWaalsContact O-N 3.07Å; K571-V632 HydrophobicContact CB-CG1 4.22Å
572	Q	96.2	Very high	96	Very high	104 Å²	104	66.8 Å²	66.8	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-41.2	176.3	-65.4	174.7	-41.6	0	0	111.1	E569 P570 N575 K576	E569-Q572 HydrophobicContact CB-CG 4.25Å; E569-Q572 WeakPolarHBondContact O-CA 3.34Å; E569-Q572 WeakPolarHBondContact O-CB 3.5Å; E569-Q572 PolarHBondContact O-N 3.32Å; P570-Q572 PolarHBondContact O-N 2.88Å; Q572-N575 PolarHBondContact O-N 2.98Å; Q572-K576 WeakPolarHBondContact O-CG 3.44Å; Q572-K576 PolarHBondContact O-N 3Å; Q572-K576 VanDerWaalsContact O-N 3.08Å
573	I	97.4	Very high	96	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-46.7	175.7	-53.9	-173.1	0	0	0	110	F557 L560 L561 W564 K568 E569 P570 N575 K576 V577	F557-I573 HydrophobicContact CD2-CB 4.3Å; F557-I573 HydrophobicContact CD2-CG2 3.89Å; F557-I573 HydrophobicContact CE2-CB 4.21Å; F557-I573 HydrophobicContact CE2-CG2 4.25Å; L560-I573 HydrophobicContact CB-CG2 3.62Å; L560-I573 HydrophobicContact CD1-CG2 4.16Å; L561-I573 HydrophobicContact CD2-CD1 4.23Å; W564-I573 HydrophobicContact CB-CD1 3.88Å; W564-I573 HydrophobicContact CE3-CB 4.41Å; W564-I573 HydrophobicContact CE3-CD1 4.17Å; W564-I573 HydrophobicContact CE3-CG1 3.92Å; W564-I573 HydrophobicContact CE3-CG2 3.99Å; W564-I573 HydrophobicContact CZ3-CG2 4.22Å; K568-I573 HydrophobicContact CB-CD1 4.31Å; K568-I573 HydrophobicContact CB-CG1 3.83Å; E569-I573 WeakPolarHBondContact O-CG1 3.18Å; E569-I573 PolarHBondContact O-N 3.03Å; P570-I573 PolarHBondContact O-N 3.4Å; I573-N575 VanDerWaalsContact C-N 3.35Å; I573-N575 PolarHBondContact O-N 3.28Å; I573-K576 PolarHBondContact O-N 2.77Å; I573-V577 HydrophobicContact CG2-CG2 4.37Å; I573-V577 WeakPolarHBondContact O-CG2 3.29Å; I573-V577 PolarHBondContact O-N 3.39Å
574	A	97.9	Very high	96.1	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-56.7	-46.2	176.8	0	0	0	0	0	112.3	F557 P570 K571 K576 V577 K578 I628 V632	F557-A574 HydrophobicContact CD2-CB 4.15Å; F557-A574 HydrophobicContact CE2-CB 3.9Å; P570-A574 WeakPolarHBondContact O-CB 3.35Å; P570-A574 PolarHBondContact O-N 3.18Å; K571-A574 PolarHBondContact O-N 3.15Å; A574-K576 PolarHBondContact O-N 3.17Å; A574-V577 PolarHBondContact O-N 3.35Å; A574-K578 WeakPolarHBondContact O-CB 3.49Å; A574-K578 VanDerWaalsContact O-CG 3.23Å; A574-K578 WeakPolarHBondContact O-CG 3.42Å; A574-K578 PolarHBondContact O-N 2.83Å; A574-I628 HydrophobicContact CB-CG2 3.48Å; A574-I628 VanDerWaalsContact CB-CG2 3.48Å; A574-V632 HydrophobicContact CB-CG2 3.64Å
575	N	97.3	Very high	96.2	Very high	85 Å²	85	57.7 Å²	57.7	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-42	177.8	-71.5	-14	0	0	0	112.3	K571 Q572 I573 K578 R579	K571-N575 VanDerWaalsContact O-CG 3.28Å; K571-N575 PolarHBondContact O-N 3.43Å; K571-N575 VanDerWaalsContact O-N 3.07Å; Q572-N575 PolarHBondContact O-N 2.98Å; I573-N575 VanDerWaalsContact C-N 3.35Å; I573-N575 PolarHBondContact O-N 3.28Å; N575-K578 PolarHBondContact O-N 2.85Å; N575-R579 WeakPolarHBondContact O-CB 3.22Å; N575-R579 PolarHBondContact O-N 2.94Å
576	K	97.6	Very high	96.4	Very high	49 Å²	49	51.9 Å²	51.9	21%	0.213	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-46.1	177.9	-73.4	177.6	175.2	-73.4	0	112	L534 D538 W564 K568 Q572 I573 A574 K578 R579 Y580	L534-K576 HydrophobicContact CD2-CB 3.87Å; L534-K576 HydrophobicContact CD2-CG 3.93Å; D538-K576 WeakPolarHBondContact OD2-CD 3.44Å; D538-K576 VanDerWaalsContact OD2-CE 3.3Å; D538-K576 WeakPolarHBondContact OD2-CE 3.49Å; D538-K576 IonicContact OD2-NZ 2.55Å; D538-K576 PolarHBondContact OD2-NZ 2.67Å; W564-K576 HydrophobicContact CH2-CD 4.45Å; W564-K576 HydrophobicContact CZ3-CD 4.05Å; K568-K576 HydrophobicContact CD-CD 4.04Å; Q572-K576 WeakPolarHBondContact O-CG 3.44Å; Q572-K576 PolarHBondContact O-N 3Å; Q572-K576 VanDerWaalsContact O-N 3.08Å; I573-K576 PolarHBondContact O-N 2.77Å; A574-K576 PolarHBondContact O-N 3.17Å; K576-K578 VanDerWaalsContact C-N 3.34Å; K576-K578 PolarHBondContact O-N 2.97Å; K576-R579 PolarHBondContact O-N 3.02Å; K576-Y580 WeakPolarHBondContact O-CB 3.44Å; K576-Y580 PolarHBondContact O-N 3.26Å
577	V	97.9	Very high	96.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-44.1	176.7	172.2	0	0	0	0	111	M542 P553 M556 F557 L560 I573 A574 Y580 F581 I628	M542-V577 HydrophobicContact SD-CG2 4.49Å; P553-V577 HydrophobicContact CB-CG1 4.44Å; P553-V577 WeakPolarHBondContact O-CG1 3.43Å; M556-V577 HydrophobicContact CG-CG2 4.23Å; M556-V577 HydrophobicContact SD-CG1 4.39Å; M556-V577 HydrophobicContact SD-CG2 4.34Å; F557-V577 HydrophobicContact CB-CG1 4.43Å; F557-V577 HydrophobicContact CB-CG2 4.32Å; L560-V577 HydrophobicContact CD1-CG2 3.61Å; I573-V577 HydrophobicContact CG2-CG2 4.37Å; I573-V577 WeakPolarHBondContact O-CG2 3.29Å; I573-V577 PolarHBondContact O-N 3.39Å; A574-V577 PolarHBondContact O-N 3.35Å; V577-Y580 PolarHBondContact O-N 2.67Å; V577-F581 HydrophobicContact CG1-CD2 3.97Å; V577-F581 HydrophobicContact CG1-CE2 4.24Å; V577-F581 WeakPolarHBondContact O-CD2 3.2Å; V577-F581 PolarHBondContact O-N 3.45Å; V577-I628 HydrophobicContact CG1-CD1 4.04Å
578	K	98	Very high	96.9	Very high	32 Å²	32	42.8 Å²	42.8	14%	0.139	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-50.3	176.5	-73.9	174.8	172.5	-166.1	0	111.6	A574 N575 K576 Y580 F581 E582 F625 E629	A574-K578 WeakPolarHBondContact O-CB 3.49Å; A574-K578 VanDerWaalsContact O-CG 3.23Å; A574-K578 WeakPolarHBondContact O-CG 3.42Å; A574-K578 PolarHBondContact O-N 2.83Å; N575-K578 PolarHBondContact O-N 2.85Å; K576-K578 VanDerWaalsContact C-N 3.34Å; K576-K578 PolarHBondContact O-N 2.97Å; K578-Y580 VanDerWaalsContact C-N 3.3Å; K578-Y580 PolarHBondContact O-N 3.2Å; K578-F581 PolarHBondContact O-N 3.39Å; K578-E582 WeakPolarHBondContact O-CB 3.45Å; K578-E582 VanDerWaalsContact O-CG 3.27Å; K578-E582 WeakPolarHBondContact O-CG 3.46Å; K578-E582 PolarHBondContact O-N 3.11Å; K578-F625 HydrophobicContact CB-CD2 4.45Å; K578-F625 HydrophobicContact CB-CE1 4.23Å; K578-F625 HydrophobicContact CB-CE2 3.98Å; K578-F625 HydrophobicContact CB-CZ 3.86Å; K578-F625 HydrophobicContact CD-CD2 4.28Å; K578-F625 HydrophobicContact CD-CG 4.32Å; K578-F625 HydrophobicContact CG-CD1 3.81Å; K578-F625 HydrophobicContact CG-CD2 3.93Å; K578-F625 HydrophobicContact CG-CE1 3.81Å; K578-F625 HydrophobicContact CG-CE2 3.92Å; K578-F625 HydrophobicContact CG-CG 3.88Å; K578-F625 HydrophobicContact CG-CZ 3.87Å; K578-E629 IonicContact NZ-OE1 3.69Å; K578-E629 PolarHBondContact NZ-OE1 2.93Å
579	R	97.2	Very high	97.1	Very high	84 Å²	84	43.7 Å²	43.7	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-57.5	-43.1	178.5	177.6	56.4	-175.4	149.2	1.7	112.2	I532 L534 N575 K576 A583	I532-R579 PolarHBondContact O-NE 2.96Å; I532-R579 PolarHBondContact O-NH2 2.86Å; L534-R579 HydrophobicContact CD1-CG 4.16Å; L534-R579 HydrophobicContact CD2-CB 4.4Å; L534-R579 HydrophobicContact CD2-CG 4.33Å; L534-R579 HydrophobicContact CG-CG 3.97Å; N575-R579 WeakPolarHBondContact O-CB 3.22Å; N575-R579 PolarHBondContact O-N 2.94Å; K576-R579 PolarHBondContact O-N 3.02Å; R579-A583 WeakPolarHBondContact O-CB 3.17Å; R579-A583 PolarHBondContact O-N 3.31Å
580	Y	97.8	Very high	97.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-51.8	176.7	174.6	-90.7	0	0	0	111.6	V464 V465 L534 I539 M542 R546 M556 K576 V577 K578 A583 Y584	V464-Y580 HydrophobicContact CG1-CE2 4.04Å; V464-Y580 HydrophobicContact CG2-CE2 4.13Å; V464-Y580 WeakPolarHBondContact CG2-OH 3.46Å; V465-Y580 HydrophobicContact CG1-CD2 4.17Å; V465-Y580 HydrophobicContact CG1-CE2 4.48Å; L534-Y580 HydrophobicContact CD1-CD2 4.37Å; I539-Y580 HydrophobicContact CG2-CE2 4.4Å; M542-Y580 HydrophobicContact CB-CD2 4.01Å; M542-Y580 HydrophobicContact CB-CE2 3.94Å; M542-Y580 HydrophobicContact CB-CG 4.33Å; M542-Y580 HydrophobicContact CE-CD2 3.79Å; M542-Y580 HydrophobicContact CE-CG 4.02Å; M542-Y580 HydrophobicContact SD-CD2 4.17Å; M542-Y580 HydrophobicContact SD-CG 3.91Å; R546-Y580 WeakPolarHBondContact CD-OH 3.27Å; M556-Y580 HydrophobicContact CE-CD1 4.35Å; M556-Y580 HydrophobicContact CE-CE1 3.96Å; M556-Y580 HydrophobicContact SD-CD1 4.29Å; M556-Y580 HydrophobicContact SD-CE1 4.46Å; K576-Y580 WeakPolarHBondContact O-CB 3.44Å; K576-Y580 PolarHBondContact O-N 3.26Å; V577-Y580 PolarHBondContact O-N 2.67Å; K578-Y580 VanDerWaalsContact C-N 3.3Å; K578-Y580 PolarHBondContact O-N 3.2Å; Y580-A583 PolarHBondContact O-N 2.94Å; Y580-Y584 VanDerWaalsContact O-CB 3.26Å; Y580-Y584 WeakPolarHBondContact O-CB 3.21Å; Y580-Y584 PolarHBondContact O-N 2.95Å
581	F	98.1	Very high	97.1	Very high	6 Å²	6	38 Å²	38	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-72.1	-31.4	-177.8	-86	-79.7	0	0	0	113.6	G552 P553 M556 V577 K578 Y584 A585 W621 F625	G552-F581 VanDerWaalsContact C-CZ 3.48Å; P553-F581 VanDerWaalsContact CA-CE2 3.4Å; P553-F581 HydrophobicContact CB-CD2 3.78Å; P553-F581 HydrophobicContact CB-CE2 4.01Å; P553-F581 HydrophobicContact CB-CG 4.09Å; P553-F581 HydrophobicContact CB-CZ 4.49Å; P553-F581 HydrophobicContact CG-CB 4.3Å; P553-F581 HydrophobicContact CG-CD1 3.72Å; P553-F581 HydrophobicContact CG-CD2 3.84Å; P553-F581 HydrophobicContact CG-CE1 3.93Å; P553-F581 HydrophobicContact CG-CE2 4.05Å; P553-F581 HydrophobicContact CG-CG 3.68Å; P553-F581 HydrophobicContact CG-CZ 4.09Å; M556-F581 HydrophobicContact CB-CE2 4.3Å; M556-F581 HydrophobicContact CE-CE2 3.59Å; M556-F581 HydrophobicContact CE-CZ 3.8Å; M556-F581 HydrophobicContact SD-CD2 4.44Å; M556-F581 HydrophobicContact SD-CE2 3.64Å; M556-F581 HydrophobicContact SD-CZ 4.44Å; V577-F581 HydrophobicContact CG1-CD2 3.97Å; V577-F581 HydrophobicContact CG1-CE2 4.24Å; V577-F581 WeakPolarHBondContact O-CD2 3.2Å; V577-F581 PolarHBondContact O-N 3.45Å; K578-F581 PolarHBondContact O-N 3.39Å; F581-Y584 HydrophobicContact CD1-CD1 4.36Å; F581-A585 WeakPolarHBondContact O-CB 3.4Å; F581-A585 PolarHBondContact O-N 3Å; F581-W621 HydrophobicContact CB-CZ2 4.5Å; F581-W621 HydrophobicContact CD1-CH2 4.11Å; F581-W621 AromaticContact CD1-CZ2 3.81Å; F581-W621 HydrophobicContact CD1-CZ2 3.81Å; F581-W621 PolarHBondContact O-NE1 2.9Å; F581-F625 HydrophobicContact CB-CE1 4.19Å; F581-F625 HydrophobicContact CB-CZ 4.16Å
582	E	97	Very high	97.1	Very high	79 Å²	79	33.9 Å²	33.9	37%	0.369	17%	0.171	S	C	.	.	H	α-helix	trans	-61.5	-50.1	170.7	-75.9	170.8	179.6	0	0	110.9	K578 A585 A586 F625	K578-E582 WeakPolarHBondContact O-CB 3.45Å; K578-E582 VanDerWaalsContact O-CG 3.27Å; K578-E582 WeakPolarHBondContact O-CG 3.46Å; K578-E582 PolarHBondContact O-N 3.11Å; E582-A585 PolarHBondContact O-N 3.28Å; E582-A586 VanDerWaalsContact O-CB 3.24Å; E582-A586 WeakPolarHBondContact O-CB 3.44Å; E582-A586 PolarHBondContact O-N 3.1Å; E582-F625 HydrophobicContact CG-CE2 3.76Å; E582-F625 HydrophobicContact CG-CZ 4.01Å
583	A	96.6	Very high	97	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-46.2	179	0	0	0	0	0	111.8	V465 R579 Y580 A585 A586 N587	V465-A583 HydrophobicContact CB-CB 4.02Å; V465-A583 HydrophobicContact CG1-CB 4.42Å; R579-A583 WeakPolarHBondContact O-CB 3.17Å; R579-A583 PolarHBondContact O-N 3.31Å; Y580-A583 PolarHBondContact O-N 2.94Å; A583-A585 PolarHBondContact O-N 3.36Å; A583-A586 PolarHBondContact O-N 3.43Å; A583-N587 WeakPolarHBondContact O-CB 3.46Å; A583-N587 PolarHBondContact O-N 3.48Å; A583-N587 PolarHBondContact O-ND2 3.32Å; A583-N587 VanDerWaalsContact O-ND2 3.14Å
584	Y	96.9	Very high	96.9	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-54.7	-51.7	174.7	170.2	-96.8	0	0	0	111.7	V464 R546 Y580 F581 N587 R588 R613 Y617 W621	V464-Y584 HydrophobicContact CG2-CD2 3.98Å; V464-Y584 WeakPolarHBondContact O-CD2 3.36Å; R546-Y584 PolarHBondContact NH2-OH 3.11Å; Y580-Y584 VanDerWaalsContact O-CB 3.26Å; Y580-Y584 WeakPolarHBondContact O-CB 3.21Å; Y580-Y584 PolarHBondContact O-N 2.95Å; F581-Y584 HydrophobicContact CD1-CD1 4.36Å; Y584-N587 PolarHBondContact O-N 3.32Å; Y584-R588 WeakPolarHBondContact O-CB 3.32Å; Y584-R588 PolarHBondContact O-N 3.01Å; Y584-R613 WeakPolarHBondContact OH-CG 3.46Å; Y584-Y617 AromaticContact CE1-CE2 3.97Å; Y584-Y617 HydrophobicContact CE1-CE2 3.97Å; Y584-Y617 PolarHBondContact OH-OH 3.18Å; Y584-W621 HydrophobicContact CD1-CZ2 4.35Å
585	A	97.3	Very high	96.9	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-45	-177.8	0	0	0	0	0	112.7	F581 E582 A583 N587 Y617 W621	F581-A585 WeakPolarHBondContact O-CB 3.4Å; F581-A585 PolarHBondContact O-N 3Å; E582-A585 PolarHBondContact O-N 3.28Å; A583-A585 PolarHBondContact O-N 3.36Å; A585-N587 VanDerWaalsContact C-N 3.27Å; A585-N587 PolarHBondContact O-N 3.04Å; A585-Y617 HydrophobicContact CB-CD2 4.27Å; A585-Y617 HydrophobicContact CB-CG 4.21Å; A585-W621 HydrophobicContact CB-CZ2 3.84Å; A585-W621 VanDerWaalsContact CB-NE1 3.34Å
586	A	96.6	Very high	96.8	Very high	50 Å²	50	30.4 Å²	30.4	41%	0.413	16%	0.16	S	C	.	.	H	α-helix	trans	-64.8	-33.1	-178.8	0	0	0	0	0	112.2	E582 A583 H589	E582-A586 VanDerWaalsContact O-CB 3.24Å; E582-A586 WeakPolarHBondContact O-CB 3.44Å; E582-A586 PolarHBondContact O-N 3.1Å; A583-A586 PolarHBondContact O-N 3.43Å; A586-H589 PolarHBondContact O-CE1 3.18Å; A586-H589 PolarHBondContact O-ND1 3.41Å
587	N	97	Very high	96.6	Very high	40 Å²	40	28.3 Å²	28.3	21%	0.214	15%	0.151	C	C	.	.	H	α-helix	trans	-106.5	0.7	-173.6	-62.5	-54.8	0	0	0	115	V465 A583 Y584 A585 H589 K590	V465-N587 PolarHBondContact O-ND2 3.46Å; A583-N587 WeakPolarHBondContact O-CB 3.46Å; A583-N587 PolarHBondContact O-N 3.48Å; A583-N587 PolarHBondContact O-ND2 3.32Å; A583-N587 VanDerWaalsContact O-ND2 3.14Å; Y584-N587 PolarHBondContact O-N 3.32Å; A585-N587 VanDerWaalsContact C-N 3.27Å; A585-N587 PolarHBondContact O-N 3.04Å; N587-H589 PolarHBondContact O-N 2.87Å; N587-H589 VanDerWaalsContact O-N 3.11Å; N587-K590 HydrophobicContact CB-CD 4.22Å; N587-K590 VanDerWaalsContact O-CB 3.31Å; N587-K590 WeakPolarHBondContact O-CB 3.41Å; N587-K590 WeakPolarHBondContact O-CG 3.39Å; N587-K590 PolarHBondContact O-N 3.42Å; N587-K590 WeakPolarHBondContact OD1-CE 3.46Å; N587-K590 PolarHBondContact OD1-NZ 2.92Å
588	R	96.6	Very high	96.5	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.011	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-57.6	-32	-177.3	-174.2	58.8	-179.5	-171.3	1.5	113.5	Y584 K590 M591 L605 D607 D611 P614 F615 Y617	Y584-R588 WeakPolarHBondContact O-CB 3.32Å; Y584-R588 PolarHBondContact O-N 3.01Å; R588-K590 PolarHBondContact O-N 3.24Å; R588-M591 WeakPolarHBondContact O-CB 3.49Å; R588-M591 PolarHBondContact O-N 2.98Å; R588-L605 PolarHBondContact NH1-O 3.13Å; R588-D607 IonicContact CZ-OD1 3.28Å; R588-D607 IonicContact NE-OD1 2.7Å; R588-D607 PolarHBondContact NE-OD1 3.04Å; R588-D607 IonicContact NH2-OD1 3.57Å; R588-D607 PolarHBondContact NH2-OD1 3.1Å; R588-D611 IonicContact CZ-OD2 3.03Å; R588-D611 IonicContact NH1-OD2 2.77Å; R588-D611 PolarHBondContact NH1-OD2 3.29Å; R588-D611 PolarHBondContact NH2-O 2.98Å; R588-D611 IonicContact NH2-OD2 3.55Å; R588-P614 VanDerWaalsContact CG-O 3.3Å; R588-P614 WeakPolarHBondContact CG-O 3.49Å; R588-F615 HydrophobicContact CG-CB 4.26Å; R588-Y617 HydrophobicContact CB-CD2 4.32Å; R588-Y617 HydrophobicContact CB-CE2 4.06Å; R588-Y617 HydrophobicContact CG-CE2 4.04Å
589	H	97.2	Very high	96.3	Very high	70 Å²	70	27 Å²	27	32%	0.324	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-58.3	-12.3	173.3	74.3	-86.8	0	0	0	115	K470 A586 N587 T592	K470-H589 PolarHBondContact NZ-O 3.23Å; A586-H589 PolarHBondContact O-CE1 3.18Å; A586-H589 PolarHBondContact O-ND1 3.41Å; N587-H589 PolarHBondContact O-N 2.87Å; N587-H589 VanDerWaalsContact O-N 3.11Å; H589-T592 PolarHBondContact O-OG1 2.72Å; H589-T592 VanDerWaalsContact O-OG1 3.08Å
590	K	97.1	Very high	96	Very high	28 Å²	28	23 Å²	23	12%	0.122	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-82.2	-28.6	172.9	-57.5	-176.2	-175.4	177.2	0	112	G466 F468 K470 N587 R588 T592 T593 L594	G466-K590 PolarHBondContact O-NZ 2.71Å; F468-K590 HydrophobicContact CD2-CD 4.36Å; F468-K590 HydrophobicContact CE1-CB 4.3Å; F468-K590 HydrophobicContact CE1-CD 4.4Å; F468-K590 HydrophobicContact CE2-CB 3.67Å; F468-K590 HydrophobicContact CE2-CD 3.97Å; F468-K590 HydrophobicContact CE2-CG 4.38Å; F468-K590 HydrophobicContact CZ-CB 3.38Å; F468-K590 HydrophobicContact CZ-CD 4Å; F468-K590 HydrophobicContact CZ-CG 4.34Å; F468-K590 PolarHBondContact O-NZ 2.65Å; K470-K590 HydrophobicContact CB-CG 4.36Å; K470-K590 HydrophobicContact CD-CG 4.34Å; K470-K590 HydrophobicContact CG-CG 4.49Å; N587-K590 HydrophobicContact CB-CD 4.22Å; N587-K590 VanDerWaalsContact O-CB 3.31Å; N587-K590 WeakPolarHBondContact O-CB 3.41Å; N587-K590 WeakPolarHBondContact O-CG 3.39Å; N587-K590 PolarHBondContact O-N 3.42Å; N587-K590 WeakPolarHBondContact OD1-CE 3.46Å; N587-K590 PolarHBondContact OD1-NZ 2.92Å; R588-K590 PolarHBondContact O-N 3.24Å; K590-T592 VanDerWaalsContact C-N 3.3Å; K590-T592 PolarHBondContact O-N 2.9Å; K590-T593 PolarHBondContact O-N 2.94Å; K590-T593 PolarHBondContact O-OG1 3.05Å; K590-L594 PolarHBondContact O-N 2.95Å
591	M	95.4	Very high	95.5	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.049	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-68.3	-30.2	-180	-64.1	-56	-55.8	0	0	112.6	R588 T593 L594 L605 D607	R588-M591 WeakPolarHBondContact O-CB 3.49Å; R588-M591 PolarHBondContact O-N 2.98Å; M591-T593 PolarHBondContact O-N 3.47Å; M591-T593 VanDerWaalsContact O-N 3.16Å; M591-L594 HydrophobicContact CE-CB 4.48Å; M591-L594 HydrophobicContact CE-CD2 3.45Å; M591-L594 VanDerWaalsContact CE-CD2 3.45Å; M591-L594 PolarHBondContact O-N 3.38Å; M591-L594 HydrophobicContact SD-CD2 3.82Å; M591-L605 HydrophobicContact CE-CB 3.65Å; M591-L605 WeakPolarHBondContact CE-O 3.38Å; M591-D607 HydrophobicContact CB-CB 4.47Å
592	T	95.6	Very high	95.1	Very high	55 Å²	55	25.9 Å²	25.9	34%	0.337	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-64.5	-19.4	179.7	63.6	0	0	0	0	113.3	H589 K590 F615	H589-T592 PolarHBondContact O-OG1 2.72Å; H589-T592 VanDerWaalsContact O-OG1 3.08Å; K590-T592 VanDerWaalsContact C-N 3.3Å; K590-T592 PolarHBondContact O-N 2.9Å; T592-F615 HydrophobicContact CG2-CB 3.77Å; T592-F615 HydrophobicContact CG2-CD1 4.02Å; T592-F615 HydrophobicContact CG2-CG 3.95Å
593	T	95.2	Very high	94.7	Very high	54 Å²	54	23.4 Å²	23.4	33%	0.331	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-123.9	15.2	179.2	61.4	0	0	0	0	112	K470 K590 M591	K470-T593 WeakPolarHBondContact CE-OG1 3.38Å; K590-T593 PolarHBondContact O-N 2.94Å; K590-T593 PolarHBondContact O-OG1 3.05Å; M591-T593 PolarHBondContact O-N 3.47Å; M591-T593 VanDerWaalsContact O-N 3.16Å
594	L	95	Very high	94.4	Very high	19 Å²	19	23.3 Å²	23.3	10%	0.099	13%	0.129	C	C	.	.	S	Bend	trans	-73.7	146.9	176.4	-169.7	66.2	0	0	0	109.5	F468 K590 M591	F468-L594 HydrophobicContact CE2-CD1 3.89Å; F468-L594 HydrophobicContact CZ-CD1 3.85Å; K590-L594 PolarHBondContact O-N 2.95Å; M591-L594 HydrophobicContact CE-CB 4.48Å; M591-L594 HydrophobicContact CE-CD2 3.45Å; M591-L594 VanDerWaalsContact CE-CD2 3.45Å; M591-L594 PolarHBondContact O-N 3.38Å; M591-L594 HydrophobicContact SD-CD2 3.82Å
595	T	96.6	Very high	94.1	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.055	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-54.2	137.3	178.3	-67.7	0	0	0	0	112.2	S474 S475 A476 I478 N479 S597	S474-T595 PolarHBondContact O-OG1 3.4Å; S474-T595 VanDerWaalsContact O-OG1 3.14Å; S475-T595 WeakPolarHBondContact CA-OG1 3.32Å; A476-T595 HydrophobicContact CB-CG2 4.24Å; A476-T595 PolarHBondContact N-OG1 3.34Å; A476-T595 WeakPolarHBondContact O-CG2 3Å; A476-T595 PolarHBondContact O-OG1 3.14Å; I478-T595 VanDerWaalsContact CA-CG2 3.45Å; N479-T595 HydrophobicContact CB-CG2 3.9Å; T595-S597 PolarHBondContact O-N 3.13Å
596	P	95.1	Very high	93.6	Very high	35 Å²	35	23.6 Å²	23.6	23%	0.227	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-51.6	123.4	169.4	-12.9	19.3	0	0	0	111.3	N479	N479-P596 PolarHBondContact N-O 2.83Å
597	S	94.7	Very high	93.4	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.042	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-109.5	147.5	-179.3	53.3	0	0	0	0	112	S226 N479 T595 H599	S226-S597 WeakPolarHBondContact CB-O 3.3Å; N479-S597 CarbonylContact O-C 3.49Å; N479-S597 WeakPolarHBondContact O-CA 3.38Å; N479-S597 WeakPolarHBondContact O-CB 3.49Å; T595-S597 PolarHBondContact O-N 3.13Å; S597-H599 PolarHBondContact O-N 2.94Å
598	Y	94.7	Very high	93.1	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	13%	0.13	C	C	.	.			trans	-56.3	125.4	167.7	173.7	-125	0	0	0	110.5	H190 S226 Y228 A289 W293 N479 S483 A600	H190-Y598 AromaticContact ND1-CZ 3.82Å; H190-Y598 PolarHBondContact ND1-OH 3.43Å; S226-Y598 WeakPolarHBondContact O-CA 3.38Å; Y228-Y598 VanDerWaalsContact CB-CE2 3.49Å; A289-Y598 HydrophobicContact CB-CE1 4.19Å; A289-Y598 WeakPolarHBondContact CB-OH 3.2Å; W293-Y598 HydrophobicContact CB-CD2 4.17Å; W293-Y598 HydrophobicContact CB-CE2 4.4Å; W293-Y598 AromaticContact CD1-CD2 3.94Å; W293-Y598 AromaticContact CD2-CD2 3.91Å; W293-Y598 HydrophobicContact CD2-CD2 3.91Å; W293-Y598 HydrophobicContact CD2-CG 4.23Å; W293-Y598 HydrophobicContact CE3-CD2 4.44Å; W293-Y598 HydrophobicContact CE3-CG 4.3Å; W293-Y598 AromaticContact CG-CD2 3.76Å; W293-Y598 HydrophobicContact CG-CD2 3.76Å; W293-Y598 HydrophobicContact CG-CE2 4.33Å; W293-Y598 HydrophobicContact CG-CG 4.41Å; N479-Y598 PolarHBondContact O-N 3.38Å; S483-Y598 WeakPolarHBondContact CB-O 2.98Å; S483-Y598 PolarHBondContact OG-O 3.14Å; Y598-A600 HydrophobicContact CD1-CB 3.92Å; Y598-A600 HydrophobicContact CE1-CB 3.54Å; Y598-A600 PolarHBondContact O-N 2.55Å
599	H	94	Very high	92.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.138	C	C	.	.			trans	-81.2	109.2	175.3	-173.9	79.1	0	0	0	110	L97 Y189 S226 V227 S597 D601 D604 F610	L97-H599 HydrophobicContact CD1-CB 3.95Å; Y189-H599 AromaticContact CD2-CD2 3.57Å; Y189-H599 AromaticContact CE2-CD2 3.37Å; Y189-H599 WeakPolarHBondContact CE2-CD2 3.38Å; Y189-H599 AromaticContact CE2-NE2 3.33Å; Y189-H599 VanDerWaalsContact CE2-NE2 3.33Å; Y189-H599 WeakPolarHBondContact CE2-NE2 3.34Å; S226-H599 PolarHBondContact O-N 3.26Å; V227-H599 HydrophobicContact CG1-CB 4.38Å; S597-H599 PolarHBondContact O-N 2.94Å; H599-D601 PolarHBondContact CE1-O 3.18Å; H599-D604 IonicContact CE1-OD2 3.39Å; H599-D604 IonicContact CG-OD2 3.68Å; H599-D604 IonicContact ND1-OD2 2.85Å; H599-D604 PolarHBondContact ND1-OD2 3.48Å; H599-F610 AromaticContact CE1-CD2 3.85Å; H599-F610 AromaticContact CE1-CE1 3.88Å; H599-F610 AromaticContact CE1-CE2 3.71Å; H599-F610 AromaticContact CE1-CZ 3.74Å
600	A	90.7	Very high	92.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.			trans	-122.2	-24.2	178.1	0	0	0	0	0	112.9	E191 L192 S483 L484 Y598	E191-A600 CarbonylContact C-O 3.56Å; E191-A600 WeakPolarHBondContact CA-O 3.47Å; L192-A600 VanDerWaalsContact CG-O 3.3Å; L192-A600 WeakPolarHBondContact CG-O 3.25Å; L192-A600 PolarHBondContact N-O 3.38Å; S483-A600 WeakPolarHBondContact OG-CB 2.9Å; S483-A600 PolarHBondContact OG-N 3.39Å; L484-A600 HydrophobicContact CD2-CB 3.72Å; Y598-A600 HydrophobicContact CD1-CB 3.92Å; Y598-A600 HydrophobicContact CE1-CB 3.54Å; Y598-A600 PolarHBondContact O-N 2.55Å
601	D	88.8	Confident	92.4	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	12%	0.124	C	C	.	.			trans	-131.6	139.8	-166.9	-165.7	-60.1	0	0	0	110.8	L192 S483 H599 R603 D604	L192-D601 HydrophobicContact CD1-CB 4.46Å; S483-D601 WeakPolarHBondContact O-CB 3.16Å; H599-D601 PolarHBondContact CE1-O 3.18Å; D601-R603 PolarHBondContact O-N 3.27Å; D601-R603 WeakPolarHBondContact OD1-CB 3.49Å; D601-R603 VanDerWaalsContact OD1-CG 3.24Å; D601-R603 WeakPolarHBondContact OD1-CG 3.34Å; D601-R603 IonicContact OD1-CZ 3.94Å; D601-R603 PolarHBondContact OD1-N 3Å; D601-R603 IonicContact OD1-NE 2.92Å; D601-R603 PolarHBondContact OD1-NE 3.03Å; D601-R603 IonicContact OD1-NH2 2.67Å; D601-R603 IonicContact OD2-CZ 3.68Å; D601-R603 IonicContact OD2-NE 3.82Å; D601-R603 PolarHBondContact OD2-NE 3.36Å; D601-R603 IonicContact OD2-NH2 2.97Å; D601-R603 PolarHBondContact OD2-NH2 3.14Å; D601-D604 VanDerWaalsContact O-CB 3.23Å; D601-D604 WeakPolarHBondContact O-CB 3.33Å; D601-D604 PolarHBondContact O-N 3.06Å
602	F	88.1	Confident	92.3	Very high	63 Å²	63	30.6 Å²	30.6	28%	0.276	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.8	177	76.7	-87.8	0	0	0	113.4	E191 T544 K547 E548 D604 F610	E191-F602 HydrophobicContact CG-CB 4.42Å; E191-F602 WeakPolarHBondContact OE1-CB 3.31Å; T544-F602 HydrophobicContact CG2-CZ 4.04Å; K547-F602 HydrophobicContact CB-CD2 4.36Å; K547-F602 HydrophobicContact CB-CE2 4.42Å; K547-F602 WeakPolarHBondContact CE-O 3.35Å; E548-F602 HydrophobicContact CB-CE2 4Å; F602-D604 VanDerWaalsContact C-N 3.28Å; F602-F610 WeakPolarHBondContact O-CE1 3.4Å; F602-F610 WeakPolarHBondContact O-CZ 3.14Å
603	R	88.4	Confident	92.3	Very high	26 Å²	26	32.8 Å²	32.8	10%	0.098	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.4	176.4	-60.7	171.1	-66.3	174.3	4.8	113.4	D540 N543 T544 D601	D540-R603 IonicContact OD1-CZ 3.9Å; D540-R603 IonicContact OD1-NH1 3.85Å; D540-R603 PolarHBondContact OD1-NH1 2.85Å; D540-R603 IonicContact OD2-CZ 3.47Å; D540-R603 IonicContact OD2-NH1 3.15Å; D540-R603 PolarHBondContact OD2-NH1 3.41Å; N543-R603 PolarHBondContact ND2-O 3.03Å; N543-R603 VanDerWaalsContact ND2-O 3.17Å; T544-R603 WeakPolarHBondContact OG1-CD 3.42Å; T544-R603 PolarHBondContact OG1-NH1 3.49Å; D601-R603 PolarHBondContact O-N 3.27Å; D601-R603 WeakPolarHBondContact OD1-CB 3.49Å; D601-R603 VanDerWaalsContact OD1-CG 3.24Å; D601-R603 WeakPolarHBondContact OD1-CG 3.34Å; D601-R603 IonicContact OD1-CZ 3.94Å; D601-R603 PolarHBondContact OD1-N 3Å; D601-R603 IonicContact OD1-NE 2.92Å; D601-R603 PolarHBondContact OD1-NE 3.03Å; D601-R603 IonicContact OD1-NH2 2.67Å; D601-R603 IonicContact OD2-CZ 3.68Å; D601-R603 IonicContact OD2-NE 3.82Å; D601-R603 PolarHBondContact OD2-NE 3.36Å; D601-R603 IonicContact OD2-NH2 2.97Å; D601-R603 PolarHBondContact OD2-NH2 3.14Å
604	D	91	Very high	92.3	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	16%	0.157	C	C	.	.			trans	-51.5	144.4	176.4	-168.6	0.5	0	0	0	111.8	K547 H599 D601 F602 E606 F610	K547-D604 PolarHBondContact NZ-O 3.43Å; H599-D604 IonicContact CE1-OD2 3.39Å; H599-D604 IonicContact CG-OD2 3.68Å; H599-D604 IonicContact ND1-OD2 2.85Å; H599-D604 PolarHBondContact ND1-OD2 3.48Å; D601-D604 VanDerWaalsContact O-CB 3.23Å; D601-D604 WeakPolarHBondContact O-CB 3.33Å; D601-D604 PolarHBondContact O-N 3.06Å; F602-D604 VanDerWaalsContact C-N 3.28Å; D604-E606 WeakPolarHBondContact OD1-CB 3.24Å; D604-E606 PolarHBondContact OD1-N 3.34Å; D604-F610 HydrophobicContact CB-CD1 3.65Å; D604-F610 HydrophobicContact CB-CE1 3.84Å; D604-F610 VanDerWaalsContact O-CD1 3.23Å; D604-F610 WeakPolarHBondContact O-CD1 3.33Å; D604-F610 WeakPolarHBondContact O-CE1 3.27Å
605	L	90.9	Very high	92.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	18%	0.177	C	C	.	.			trans	-115.9	-1.3	-168.9	-58.5	164.9	0	0	0	112.1	A460 V464 R588 M591 D607	A460-L605 HydrophobicContact CB-CD1 4.32Å; A460-L605 WeakPolarHBondContact O-CD1 3.24Å; V464-L605 HydrophobicContact CB-CD1 3.54Å; V464-L605 HydrophobicContact CB-CD2 3.99Å; V464-L605 HydrophobicContact CB-CG 4.41Å; V464-L605 HydrophobicContact CG2-CD1 4.3Å; V464-L605 HydrophobicContact CG2-CD2 3.81Å; R588-L605 PolarHBondContact NH1-O 3.13Å; M591-L605 HydrophobicContact CE-CB 3.65Å; M591-L605 WeakPolarHBondContact CE-O 3.38Å; L605-D607 PolarHBondContact O-N 2.86Å
606	E	87.6	Confident	92.5	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.065	21%	0.213	C	C	.	.			trans	-49.5	118	178	-156.2	-62.6	127.5	0	0	110.4	D604 R608 R609 F610 D611	D604-E606 WeakPolarHBondContact OD1-CB 3.24Å; D604-E606 PolarHBondContact OD1-N 3.34Å; E606-R608 VanDerWaalsContact CD-N 3.34Å; E606-R608 VanDerWaalsContact OE1-CB 3.24Å; E606-R608 WeakPolarHBondContact OE1-CB 3.46Å; E606-R608 WeakPolarHBondContact OE1-CG 3.34Å; E606-R608 IonicContact OE1-CZ 2.8Å; E606-R608 PolarHBondContact OE1-N 3.02Å; E606-R608 VanDerWaalsContact OE1-N 3.14Å; E606-R608 IonicContact OE1-NE 3.73Å; E606-R608 PolarHBondContact OE1-NE 3.03Å; E606-R608 IonicContact OE1-NH2 3.88Å; E606-R608 PolarHBondContact OE1-NH2 2.75Å; E606-R608 WeakPolarHBondContact OE2-CA 3.31Å; E606-R608 WeakPolarHBondContact OE2-CB 3.27Å; E606-R608 PolarHBondContact OE2-N 3.38Å; E606-R609 PolarHBondContact OE2-N 2.87Å; E606-F610 PolarHBondContact O-N 3.08Å; E606-D611 PolarHBondContact O-N 3.42Å
607	D	92.2	Very high	92.6	Very high	28 Å²	28	46.3 Å²	46.3	15%	0.15	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-22.6	-167.8	-169.6	71.8	0	0	0	113	R588 M591 L605	R588-D607 IonicContact CZ-OD1 3.28Å; R588-D607 IonicContact NE-OD1 2.7Å; R588-D607 PolarHBondContact NE-OD1 3.04Å; R588-D607 IonicContact NH2-OD1 3.57Å; R588-D607 PolarHBondContact NH2-OD1 3.1Å; M591-D607 HydrophobicContact CB-CB 4.47Å; L605-D607 PolarHBondContact O-N 2.86Å
608	R	89.3	Confident	92.6	Very high	128 Å²	128	50.1 Å²	50.1	48%	0.483	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-43.8	-175.7	-65.3	173.8	-77.3	-142.7	-17.4	112.1	E606 Q612	E606-R608 VanDerWaalsContact CD-N 3.34Å; E606-R608 VanDerWaalsContact OE1-CB 3.24Å; E606-R608 WeakPolarHBondContact OE1-CB 3.46Å; E606-R608 WeakPolarHBondContact OE1-CG 3.34Å; E606-R608 IonicContact OE1-CZ 2.8Å; E606-R608 PolarHBondContact OE1-N 3.02Å; E606-R608 VanDerWaalsContact OE1-N 3.14Å; E606-R608 IonicContact OE1-NE 3.73Å; E606-R608 PolarHBondContact OE1-NE 3.03Å; E606-R608 IonicContact OE1-NH2 3.88Å; E606-R608 PolarHBondContact OE1-NH2 2.75Å; E606-R608 WeakPolarHBondContact OE2-CA 3.31Å; E606-R608 WeakPolarHBondContact OE2-CB 3.27Å; E606-R608 PolarHBondContact OE2-N 3.38Å; R608-Q612 PolarHBondContact O-NE2 2.72Å
609	R	90.2	Very high	92.5	Very high	47 Å²	47	51.8 Å²	51.8	18%	0.177	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-45.4	-172	-57.6	-161.9	77	-129.1	-14.5	113.2	Q50 L97 R99 D225 E606	Q50-R609 VanDerWaalsContact CD-NH2 3.34Å; Q50-R609 VanDerWaalsContact OE1-CZ 3.31Å; L97-R609 HydrophobicContact CD2-CB 3.34Å; L97-R609 HydrophobicContact CD2-CG 4.5Å; L97-R609 PolarHBondContact O-NH2 3.35Å; R99-R609 PolarHBondContact NH2-O 3.31Å; D225-R609 IonicContact OD2-CZ 3.78Å; D225-R609 IonicContact OD2-NH1 2.89Å; D225-R609 PolarHBondContact OD2-NH1 3.41Å; E606-R609 PolarHBondContact OE2-N 2.87Å
610	F	92.8	Very high	92.5	Very high	26 Å²	26	60.9 Å²	60.9	11%	0.114	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-53.4	-165	-169.3	-115.9	0	0	0	115.1	G96 L97 H599 F602 D604 E606	G96-F610 VanDerWaalsContact C-CD2 3.48Å; G96-F610 VanDerWaalsContact CA-CE2 3.48Å; L97-F610 HydrophobicContact CD2-CB 3.63Å; L97-F610 HydrophobicContact CD2-CD2 4.19Å; L97-F610 HydrophobicContact CD2-CG 4.34Å; L97-F610 HydrophobicContact CG-CB 4.2Å; L97-F610 HydrophobicContact CG-CD2 3.81Å; L97-F610 HydrophobicContact CG-CG 4.38Å; H599-F610 AromaticContact CE1-CD2 3.85Å; H599-F610 AromaticContact CE1-CE1 3.88Å; H599-F610 AromaticContact CE1-CE2 3.71Å; H599-F610 AromaticContact CE1-CZ 3.74Å; F602-F610 WeakPolarHBondContact O-CE1 3.4Å; F602-F610 WeakPolarHBondContact O-CZ 3.14Å; D604-F610 HydrophobicContact CB-CD1 3.65Å; D604-F610 HydrophobicContact CB-CE1 3.84Å; D604-F610 VanDerWaalsContact O-CD1 3.23Å; D604-F610 WeakPolarHBondContact O-CD1 3.33Å; D604-F610 WeakPolarHBondContact O-CE1 3.27Å; E606-F610 PolarHBondContact O-N 3.08Å
611	D	93.5	Very high	92.8	Very high	5 Å²	5	62 Å²	62	3%	0.027	28%	0.282	C	S	.	.	S	Bend	trans	-111.5	63.6	-177.3	-171.3	32.6	0	0	0	110.8	R546 K547 R588 E606 R613	R546-D611 IonicContact CZ-OD1 2.76Å; R546-D611 IonicContact CZ-OD2 3.97Å; R546-D611 VanDerWaalsContact CZ-OD2 3.28Å; R546-D611 IonicContact NH1-OD1 2.79Å; R546-D611 IonicContact NH1-OD2 2.75Å; R546-D611 PolarHBondContact NH1-OD2 3.44Å; R546-D611 VanDerWaalsContact NH2-CG 3.35Å; R546-D611 IonicContact NH2-OD1 3.2Å; R546-D611 PolarHBondContact NH2-OD1 3.31Å; R546-D611 VanDerWaalsContact NH2-OD1 3.15Å; R546-D611 IonicContact NH2-OD2 3.72Å; R546-D611 PolarHBondContact NH2-OD2 3.38Å; K547-D611 IonicContact NZ-OD1 2.76Å; R588-D611 IonicContact CZ-OD2 3.03Å; R588-D611 IonicContact NH1-OD2 2.77Å; R588-D611 PolarHBondContact NH1-OD2 3.29Å; R588-D611 PolarHBondContact NH2-O 2.98Å; R588-D611 IonicContact NH2-OD2 3.55Å; E606-D611 PolarHBondContact O-N 3.42Å; D611-R613 WeakPolarHBondContact O-CG 3.35Å; D611-R613 PolarHBondContact O-N 3.21Å; D611-R613 IonicContact OD1-CZ 3.51Å; D611-R613 IonicContact OD1-NE 3.05Å; D611-R613 PolarHBondContact OD1-NE 2.85Å; D611-R613 IonicContact OD1-NH2 3.7Å
612	Q	93.3	Very high	93.2	Very high	115 Å²	115	66 Å²	66	54%	0.537	31%	0.307	S	S	.	.			trans	-65.8	117.9	-179.9	-64.8	177.5	-12.4	0	0	111.1	R608	R608-Q612 PolarHBondContact O-NE2 2.72Å
613	R	95.3	Very high	93.7	Very high	100 Å²	100	72.1 Å²	72.1	38%	0.377	33%	0.328	S	S	.	.			trans	-145.9	155.1	-172.9	-64.5	-69.3	-175.5	158.9	-0	111.5	Y584 D611	Y584-R613 WeakPolarHBondContact OH-CG 3.46Å; D611-R613 WeakPolarHBondContact O-CG 3.35Å; D611-R613 PolarHBondContact O-N 3.21Å; D611-R613 IonicContact OD1-CZ 3.51Å; D611-R613 IonicContact OD1-NE 3.05Å; D611-R613 PolarHBondContact OD1-NE 2.85Å; D611-R613 IonicContact OD1-NH2 3.7Å
614	P	96.8	Very high	94.2	Very high	76 Å²	76	74.1 Å²	74.1	49%	0.494	34%	0.338	S	S	.	.			trans	-54	150.6	164.9	-24	31.2	0	0	0	111.4	R588 Y617	R588-P614 VanDerWaalsContact CG-O 3.3Å; R588-P614 WeakPolarHBondContact CG-O 3.49Å; P614-Y617 HydrophobicContact CB-CD1 4.48Å; P614-Y617 HydrophobicContact CB-CE1 3.93Å; P614-Y617 HydrophobicContact CB-CE2 4.21Å; P614-Y617 WeakPolarHBondContact CD-OH 3.34Å; P614-Y617 HydrophobicContact CG-CE1 4.09Å; P614-Y617 WeakPolarHBondContact O-CE2 3.39Å; P614-Y617 VanDerWaalsContact O-CZ 3.24Å; P614-Y617 PolarHBondContact O-OH 2.86Å
615	F	96.6	Very high	94.5	Very high	121 Å²	121	74.7 Å²	74.7	53%	0.531	34%	0.341	S	S	.	.	S	Bend	trans	-115.9	-7	174	59.8	-95.9	0	0	0	113.4	R588 T592	R588-F615 HydrophobicContact CG-CB 4.26Å; T592-F615 HydrophobicContact CG2-CB 3.77Å; T592-F615 HydrophobicContact CG2-CD1 4.02Å; T592-F615 HydrophobicContact CG2-CG 3.95Å
616	L	97.5	Very high	94.8	Very high	153 Å²	153	81.4 Å²	81.4	80%	0.801	37%	0.37	S	S	*	.	S	Bend	trans	-114.4	94.4	171	179.7	62.7	0	0	0	108.8
617	Y	97.4	Very high	95.3	Very high	52 Å²	52	85.5 Å²	85.5	20%	0.204	39%	0.388	C	S	.	.			trans	-100.2	155.7	177.5	-71.6	-82.7	0	0	0	111.6	Y584 A585 R588 P614 S619 W621	Y584-Y617 AromaticContact CE1-CE2 3.97Å; Y584-Y617 HydrophobicContact CE1-CE2 3.97Å; Y584-Y617 PolarHBondContact OH-OH 3.18Å; A585-Y617 HydrophobicContact CB-CD2 4.27Å; A585-Y617 HydrophobicContact CB-CG 4.21Å; R588-Y617 HydrophobicContact CB-CD2 4.32Å; R588-Y617 HydrophobicContact CB-CE2 4.06Å; R588-Y617 HydrophobicContact CG-CE2 4.04Å; P614-Y617 HydrophobicContact CB-CD1 4.48Å; P614-Y617 HydrophobicContact CB-CE1 3.93Å; P614-Y617 HydrophobicContact CB-CE2 4.21Å; P614-Y617 WeakPolarHBondContact CD-OH 3.34Å; P614-Y617 HydrophobicContact CG-CE1 4.09Å; P614-Y617 WeakPolarHBondContact O-CE2 3.39Å; P614-Y617 VanDerWaalsContact O-CZ 3.24Å; P614-Y617 PolarHBondContact O-OH 2.86Å; Y617-S619 PolarHBondContact O-N 2.84Å; Y617-S619 VanDerWaalsContact O-N 3.09Å; Y617-W621 HydrophobicContact CD1-CH2 4.02Å; Y617-W621 HydrophobicContact CD1-CZ2 4.25Å; Y617-W621 HydrophobicContact CE1-CH2 4.15Å
618	N	96.2	Very high	95.6	Very high	85 Å²	85	84.2 Å²	84.2	46%	0.455	38%	0.38	S	S	.	.			trans	-68.9	98.2	150.8	177.2	-17.8	0	0	0	108.2	W620 W621	N618-W620 PolarHBondContact O-N 2.91Å; N618-W620 WeakPolarHBondContact OD1-CB 3.31Å; N618-W620 PolarHBondContact OD1-N 3.25Å; N618-W621 PolarHBondContact O-N 3.4Å
619	S	92.3	Very high	96	Very high	37 Å²	37	81.3 Å²	81.3	26%	0.259	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.9	-176.2	56.5	0	0	0	0	114.4	Y617	Y617-S619 PolarHBondContact O-N 2.84Å; Y617-S619 VanDerWaalsContact O-N 3.09Å
620	W	94.4	Very high	96.3	Very high	192 Å²	192	83.7 Å²	83.7	73%	0.727	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.2	176.1	-57.4	-69.1	0	0	0	113.3	N618 T622 F625	N618-W620 PolarHBondContact O-N 2.91Å; N618-W620 WeakPolarHBondContact OD1-CB 3.31Å; N618-W620 PolarHBondContact OD1-N 3.25Å; W620-T622 HydrophobicContact CB-CG2 3.81Å; W620-T622 PolarHBondContact O-N 3.21Å; W620-F625 VanDerWaalsContact O-CD2 3.32Å; W620-F625 WeakPolarHBondContact O-CD2 3.47Å
621	W	97.1	Very high	96.5	Very high	25 Å²	25	85.3 Å²	85.3	10%	0.095	40%	0.396	C	S	.	.			trans	45.5	39.5	177.5	-61.5	97.5	0	0	0	113.7	P553 F581 Y584 A585 Y617 N618 W623 Q624 F625	P553-W621 HydrophobicContact CG-CD2 4.13Å; P553-W621 HydrophobicContact CG-CE3 3.76Å; P553-W621 HydrophobicContact CG-CZ3 4.09Å; F581-W621 HydrophobicContact CB-CZ2 4.5Å; F581-W621 HydrophobicContact CD1-CH2 4.11Å; F581-W621 AromaticContact CD1-CZ2 3.81Å; F581-W621 HydrophobicContact CD1-CZ2 3.81Å; F581-W621 PolarHBondContact O-NE1 2.9Å; Y584-W621 HydrophobicContact CD1-CZ2 4.35Å; A585-W621 HydrophobicContact CB-CZ2 3.84Å; A585-W621 VanDerWaalsContact CB-NE1 3.34Å; Y617-W621 HydrophobicContact CD1-CH2 4.02Å; Y617-W621 HydrophobicContact CD1-CZ2 4.25Å; Y617-W621 HydrophobicContact CE1-CH2 4.15Å; N618-W621 PolarHBondContact O-N 3.4Å; W621-W623 VanDerWaalsContact C-N 3.29Å; W621-W623 PolarHBondContact O-N 2.96Å; W621-W623 VanDerWaalsContact O-N 3.1Å; W621-Q624 HydrophobicContact CE3-CG 4.3Å; W621-Q624 PolarHBondContact O-N 3.05Å; W621-Q624 VanDerWaalsContact O-N 3.1Å; W621-Q624 PolarHBondContact O-OE1 2.94Å; W621-F625 HydrophobicContact CB-CD1 3.63Å; W621-F625 HydrophobicContact CB-CD2 3.92Å; W621-F625 HydrophobicContact CB-CE1 3.5Å; W621-F625 HydrophobicContact CB-CE2 3.82Å; W621-F625 HydrophobicContact CB-CG 3.84Å; W621-F625 HydrophobicContact CB-CZ 3.6Å; W621-F625 AromaticContact CD1-CZ 3.58Å; W621-F625 HydrophobicContact CG-CD1 4.48Å; W621-F625 AromaticContact CG-CE1 3.89Å; W621-F625 HydrophobicContact CG-CE1 3.89Å; W621-F625 HydrophobicContact CG-CE2 4.33Å; W621-F625 AromaticContact CG-CZ 3.8Å; W621-F625 HydrophobicContact CG-CZ 3.8Å; W621-F625 WeakPolarHBondContact O-CB 3.15Å; W621-F625 PolarHBondContact O-N 3.47Å
622	T	96.9	Very high	96.6	Very high	89 Å²	89	86 Å²	86	55%	0.546	40%	0.4	S	S	.	.	H	α-helix	trans	-52.8	-43.2	-161.9	52.9	0	0	0	0	113.5	W620 K626	W620-T622 HydrophobicContact CB-CG2 3.81Å; W620-T622 PolarHBondContact O-N 3.21Å; T622-K626 VanDerWaalsContact O-CB 3.27Å; T622-K626 WeakPolarHBondContact O-CB 3.49Å; T622-K626 PolarHBondContact O-N 2.88Å
623	W	98	Very high	96.6	Very high	190 Å²	190	88.2 Å²	88.2	72%	0.72	41%	0.408	S	S	*	.	H	α-helix	trans	-71.9	-49	179.9	-171.5	-82.4	0	0	0	112.4	W621 F625 K626 K627	W621-W623 VanDerWaalsContact C-N 3.29Å; W621-W623 PolarHBondContact O-N 2.96Å; W621-W623 VanDerWaalsContact O-N 3.1Å; W623-F625 PolarHBondContact O-N 2.75Å; W623-K626 PolarHBondContact O-N 3.26Å; W623-K627 PolarHBondContact O-N 3.28Å
624	Q	98.3	Very high	96.4	Very high	68 Å²	68	87.3 Å²	87.3	32%	0.318	42%	0.422	S	S	.	.	H	α-helix	trans	-65	-42.1	-176.7	-61.6	85.8	-23.6	0	0	110.7	P553 W621 K627 I628	P553-Q624 HydrophobicContact CB-CB 3.99Å; P553-Q624 HydrophobicContact CG-CB 3.93Å; P553-Q624 HydrophobicContact CG-CG 4.15Å; W621-Q624 HydrophobicContact CE3-CG 4.3Å; W621-Q624 PolarHBondContact O-N 3.05Å; W621-Q624 VanDerWaalsContact O-N 3.1Å; W621-Q624 PolarHBondContact O-OE1 2.94Å; Q624-K627 WeakPolarHBondContact O-CB 3.4Å; Q624-K627 PolarHBondContact O-N 3.24Å; Q624-I628 WeakPolarHBondContact O-CG1 3.48Å; Q624-I628 PolarHBondContact O-N 2.97Å; Q624-I628 VanDerWaalsContact O-N 3.09Å
625	F	98.2	Very high	95.8	Very high	15 Å²	15	90.7 Å²	90.7	7%	0.066	43%	0.429	C	S	.	.	H	α-helix	trans	-70.1	-35.2	177.8	-71.9	2.1	0	0	0	112.2	P553 K578 F581 E582 W620 W621 W623 K627 I628 E629	P553-F625 HydrophobicContact CB-CD1 4.32Å; P553-F625 HydrophobicContact CB-CE1 4.05Å; P553-F625 HydrophobicContact CG-CE1 4.45Å; K578-F625 HydrophobicContact CB-CD2 4.45Å; K578-F625 HydrophobicContact CB-CE1 4.23Å; K578-F625 HydrophobicContact CB-CE2 3.98Å; K578-F625 HydrophobicContact CB-CZ 3.86Å; K578-F625 HydrophobicContact CD-CD2 4.28Å; K578-F625 HydrophobicContact CD-CG 4.32Å; K578-F625 HydrophobicContact CG-CD1 3.81Å; K578-F625 HydrophobicContact CG-CD2 3.93Å; K578-F625 HydrophobicContact CG-CE1 3.81Å; K578-F625 HydrophobicContact CG-CE2 3.92Å; K578-F625 HydrophobicContact CG-CG 3.88Å; K578-F625 HydrophobicContact CG-CZ 3.87Å; F581-F625 HydrophobicContact CB-CE1 4.19Å; F581-F625 HydrophobicContact CB-CZ 4.16Å; E582-F625 HydrophobicContact CG-CE2 3.76Å; E582-F625 HydrophobicContact CG-CZ 4.01Å; W620-F625 VanDerWaalsContact O-CD2 3.32Å; W620-F625 WeakPolarHBondContact O-CD2 3.47Å; W621-F625 HydrophobicContact CB-CD1 3.63Å; W621-F625 HydrophobicContact CB-CD2 3.92Å; W621-F625 HydrophobicContact CB-CE1 3.5Å; W621-F625 HydrophobicContact CB-CE2 3.82Å; W621-F625 HydrophobicContact CB-CG 3.84Å; W621-F625 HydrophobicContact CB-CZ 3.6Å; W621-F625 AromaticContact CD1-CZ 3.58Å; W621-F625 HydrophobicContact CG-CD1 4.48Å; W621-F625 AromaticContact CG-CE1 3.89Å; W621-F625 HydrophobicContact CG-CE1 3.89Å; W621-F625 HydrophobicContact CG-CE2 4.33Å; W621-F625 AromaticContact CG-CZ 3.8Å; W621-F625 HydrophobicContact CG-CZ 3.8Å; W621-F625 WeakPolarHBondContact O-CB 3.15Å; W621-F625 PolarHBondContact O-N 3.47Å; W623-F625 PolarHBondContact O-N 2.75Å; F625-K627 VanDerWaalsContact C-N 3.32Å; F625-K627 PolarHBondContact O-N 3.22Å; F625-I628 HydrophobicContact CD1-CD1 4.18Å; F625-I628 PolarHBondContact O-N 3.3Å; F625-E629 WeakPolarHBondContact O-CG 2.98Å; F625-E629 PolarHBondContact O-N 3.37Å
626	K	97.8	Very high	95.8	Very high	143 Å²	143	89.2 Å²	89.2	62%	0.622	42%	0.424	S	S	*	.	H	α-helix	trans	-61.6	-40	171	-177.2	178	179.9	179.8	0	111.7	T622 W623 E629 L630	T622-K626 VanDerWaalsContact O-CB 3.27Å; T622-K626 WeakPolarHBondContact O-CB 3.49Å; T622-K626 PolarHBondContact O-N 2.88Å; W623-K626 PolarHBondContact O-N 3.26Å; K626-E629 PolarHBondContact O-N 3.37Å; K626-L630 WeakPolarHBondContact O-CG 3.32Å; K626-L630 PolarHBondContact O-N 3.13Å; K626-L630 VanDerWaalsContact O-N 3.07Å
627	K	97.7	Very high	95.7	Very high	101 Å²	101	85.8 Å²	85.8	44%	0.439	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-42.4	174.9	-75.1	-73.6	-172.4	175.8	0	112.2	F554 W623 Q624 F625 L630 E631	F554-K627 HydrophobicContact CD2-CB 3.67Å; F554-K627 HydrophobicContact CE2-CB 4.05Å; F554-K627 HydrophobicContact CG-CB 4.19Å; W623-K627 PolarHBondContact O-N 3.28Å; Q624-K627 WeakPolarHBondContact O-CB 3.4Å; Q624-K627 PolarHBondContact O-N 3.24Å; F625-K627 VanDerWaalsContact C-N 3.32Å; F625-K627 PolarHBondContact O-N 3.22Å; K627-L630 PolarHBondContact O-N 3.49Å; K627-E631 PolarHBondContact O-N 3.05Å; K627-E631 VanDerWaalsContact O-N 3.16Å
628	I	98	Very high	95.6	Very high	0 Å²	0	87.7 Å²	87.7	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-59.2	-47.2	173.8	-66	171.5	0	0	0	110.5	P553 F554 F557 A574 V577 Q624 F625 L630 E631 V632	P553-I628 HydrophobicContact CB-CD1 4.17Å; F554-I628 HydrophobicContact CB-CG1 4.44Å; F554-I628 HydrophobicContact CD2-CG1 4.05Å; F557-I628 HydrophobicContact CB-CD1 4.17Å; F557-I628 HydrophobicContact CB-CG1 4.08Å; F557-I628 HydrophobicContact CD1-CG1 4.29Å; F557-I628 HydrophobicContact CD1-CG2 4.06Å; F557-I628 HydrophobicContact CD2-CG2 4.11Å; F557-I628 HydrophobicContact CE1-CG2 4.28Å; F557-I628 HydrophobicContact CE2-CG2 4.36Å; F557-I628 HydrophobicContact CG-CG1 4.26Å; F557-I628 HydrophobicContact CG-CG2 3.96Å; F557-I628 HydrophobicContact CZ-CG2 4.43Å; A574-I628 HydrophobicContact CB-CG2 3.48Å; A574-I628 VanDerWaalsContact CB-CG2 3.48Å; V577-I628 HydrophobicContact CG1-CD1 4.04Å; Q624-I628 WeakPolarHBondContact O-CG1 3.48Å; Q624-I628 PolarHBondContact O-N 2.97Å; Q624-I628 VanDerWaalsContact O-N 3.09Å; F625-I628 HydrophobicContact CD1-CD1 4.18Å; F625-I628 PolarHBondContact O-N 3.3Å; I628-L630 VanDerWaalsContact C-N 3.32Å; I628-L630 PolarHBondContact O-N 3.31Å; I628-E631 PolarHBondContact O-N 3.21Å; I628-E631 VanDerWaalsContact O-N 3.16Å; I628-V632 HydrophobicContact CG2-CG2 4.16Å; I628-V632 WeakPolarHBondContact O-CG2 3.47Å; I628-V632 PolarHBondContact O-N 2.62Å
629	E	97.3	Very high	95.5	Very high	67 Å²	67	87.8 Å²	87.8	31%	0.313	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-37.5	179.9	-74.3	-61.9	142.2	0	0	113.5	K578 F625 K626 K633	K578-E629 IonicContact NZ-OE1 3.69Å; K578-E629 PolarHBondContact NZ-OE1 2.93Å; F625-E629 WeakPolarHBondContact O-CG 2.98Å; F625-E629 PolarHBondContact O-N 3.37Å; K626-E629 PolarHBondContact O-N 3.37Å; E629-K633 VanDerWaalsContact O-CG 3.31Å; E629-K633 WeakPolarHBondContact O-CG 3.42Å; E629-K633 PolarHBondContact O-N 2.88Å
630	L	97.1	Very high	95.7	Very high	97 Å²	97	91 Å²	91	51%	0.508	42%	0.423	S	S	.	.	H	α-helix	trans	-65.5	-41.2	175.4	-69.6	171.4	0	0	0	111.6	K626 K627 I628 K633 A634	K626-L630 WeakPolarHBondContact O-CG 3.32Å; K626-L630 PolarHBondContact O-N 3.13Å; K626-L630 VanDerWaalsContact O-N 3.07Å; K627-L630 PolarHBondContact O-N 3.49Å; I628-L630 VanDerWaalsContact C-N 3.32Å; I628-L630 PolarHBondContact O-N 3.31Å; L630-K633 PolarHBondContact O-N 2.78Å; L630-A634 PolarHBondContact O-N 2.88Å; L630-A634 VanDerWaalsContact O-N 3.15Å
631	E	95.9	Very high	95.8	Very high	60 Å²	60	84.3 Å²	84.3	28%	0.28	40%	0.402	S	S	.	.	H	α-helix	trans	-71.1	-34.3	178.5	-172.2	65.1	-158.3	0	0	112.2	F554 F557 K627 I628 K633 A634 K635	F554-E631 HydrophobicContact CE2-CB 4.04Å; F554-E631 HydrophobicContact CE2-CG 4.45Å; F557-E631 HydrophobicContact CD1-CG 4.42Å; F557-E631 HydrophobicContact CE1-CB 3.88Å; F557-E631 HydrophobicContact CE1-CG 3.65Å; K627-E631 PolarHBondContact O-N 3.05Å; K627-E631 VanDerWaalsContact O-N 3.16Å; I628-E631 PolarHBondContact O-N 3.21Å; I628-E631 VanDerWaalsContact O-N 3.16Å; E631-K633 VanDerWaalsContact C-N 3.34Å; E631-A634 PolarHBondContact O-N 3.34Å; E631-K635 PolarHBondContact O-N 2.81Å; E631-K635 WeakPolarHBondContact OE1-CE 3.32Å; E631-K635 IonicContact OE1-NZ 2.77Å; E631-K635 PolarHBondContact OE1-NZ 3.03Å
632	V	95.7	Very high	95.7	Very high	19 Å²	19	88.5 Å²	88.5	12%	0.115	42%	0.424	C	S	.	.	H	α-helix	trans	-64.8	-38.3	171.9	171.8	0	0	0	0	111.1	F557 K571 A574 I628 A634 K635	F557-V632 HydrophobicContact CE1-CG2 4.27Å; F557-V632 HydrophobicContact CE2-CG2 4.01Å; F557-V632 HydrophobicContact CZ-CG2 3.53Å; K571-V632 HydrophobicContact CB-CG1 4.22Å; A574-V632 HydrophobicContact CB-CG2 3.64Å; I628-V632 HydrophobicContact CG2-CG2 4.16Å; I628-V632 WeakPolarHBondContact O-CG2 3.47Å; I628-V632 PolarHBondContact O-N 2.62Å; V632-A634 VanDerWaalsContact C-N 3.29Å; V632-A634 PolarHBondContact O-N 3.03Å; V632-K635 PolarHBondContact O-N 2.98Å
633	K	94.1	Very high	95.7	Very high	162 Å²	162	88.5 Å²	88.5	70%	0.704	42%	0.415	S	S	*	.	H	α-helix	trans	-72.2	-22.5	177.1	-73.5	176	-177	-174.6	0	113.7	E629 L630 E631 K635	E629-K633 VanDerWaalsContact O-CG 3.31Å; E629-K633 WeakPolarHBondContact O-CG 3.42Å; E629-K633 PolarHBondContact O-N 2.88Å; L630-K633 PolarHBondContact O-N 2.78Å; E631-K633 VanDerWaalsContact C-N 3.34Å; K633-K635 VanDerWaalsContact C-N 3.33Å
634	A	91.8	Very high	95.5	Very high	81 Å²	81	80 Å²	80	67%	0.669	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.4	178.9	0	0	0	0	0	113.2	L630 E631 V632	L630-A634 PolarHBondContact O-N 2.88Å; L630-A634 VanDerWaalsContact O-N 3.15Å; E631-A634 PolarHBondContact O-N 3.34Å; V632-A634 VanDerWaalsContact C-N 3.29Å; V632-A634 PolarHBondContact O-N 3.03Å
635	K	83.7	Confident	95.2	Very high	147 Å²	147	81.1 Å²	81.1	64%	0.639	40%	0.396	S	S	*	.			trans	-111.8	0	177.5	-65.6	179.5	-158.9	-66.5	0	109.7	L561 P570 E631 V632 K633	L561-K635 HydrophobicContact CD1-CD 4.03Å; L561-K635 VanDerWaalsContact CD1-CE 3.42Å; L561-K635 HydrophobicContact CD2-CD 4.21Å; P570-K635 HydrophobicContact CG-CB 4.45Å; P570-K635 HydrophobicContact CG-CD 4.47Å; E631-K635 PolarHBondContact O-N 2.81Å; E631-K635 WeakPolarHBondContact OE1-CE 3.32Å; E631-K635 IonicContact OE1-NZ 2.77Å; E631-K635 PolarHBondContact OE1-NZ 3.03Å; V632-K635 PolarHBondContact O-N 2.98Å; K633-K635 VanDerWaalsContact C-N 3.33Å

Retrieved 635 of 635 residues in 611.2 ms (Link to these results)

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