A0A077Z1U1_TRITR Loading...

DNA polymerase eta

AlphaFold DB , UniProt , Accession A0A077Z1U1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 632 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35.9	Very low	79.8	Confident	227 Å²	227	52.8 Å²	52.8	100%	1.118	26%	0.264	S	S	*	.				0	139.2	0	-65.7	165.6	177.9	0	0	106.2
2	N	44.9	Very low	81.3	Confident	119 Å²	119	49.8 Å²	49.8	64%	0.636	25%	0.25	S	C	*	.			trans	-64.9	143.9	168.5	-65.7	18.7	0	0	0	107.9
3	E	59.7	Low	82.7	Confident	70 Å²	70	46.4 Å²	46.4	33%	0.327	23%	0.232	S	C	.	.	S	Bend	trans	-86.2	-32.7	179.7	-65	-175.9	173.4	0	0	110.3	R306	E3-R306 VanDerWaalsContact CD-NH2 3.34Å; E3-R306 VanDerWaalsContact OE1-CD 3.25Å; E3-R306 WeakPolarHBondContact OE1-CD 3.47Å; E3-R306 IonicContact OE1-CZ 3.74Å; E3-R306 IonicContact OE1-NE 2.73Å; E3-R306 PolarHBondContact OE1-NE 3.17Å; E3-R306 IonicContact OE1-NH1 2.65Å; E3-R306 IonicContact OE1-NH2 3.1Å; E3-R306 PolarHBondContact OE1-NH2 3.3Å; E3-R306 IonicContact OE2-CZ 3.51Å; E3-R306 IonicContact OE2-NE 3.19Å; E3-R306 PolarHBondContact OE2-NE 2.94Å; E3-R306 IonicContact OE2-NH2 2.71Å; E3-R306 PolarHBondContact OE2-NH2 3.16Å
4	E	64.3	Low	83.7	Confident	120 Å²	120	43.3 Å²	43.3	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	136.3	158.3	-61.7	81.6	-174.7	0	0	111.2
5	G	85.6	Confident	84.6	Confident	13 Å²	13	41.5 Å²	41.5	13%	0.134	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	-2.5	171.9	0	0	0	0	0	117	R187	G5-R187 PolarHBondContact O-NE 2.94Å; G5-R187 PolarHBondContact O-NH2 3.04Å
6	R	95	Very high	85.5	Confident	29 Å²	29	39.1 Å²	39.1	11%	0.109	20%	0.198	C	C	.	.			trans	-64.4	143.1	167.7	-76.3	-166.5	-61.5	160.7	-1.9	111.4	T122 N216 D305 E307	R6-T122 WeakPolarHBondContact CA-OG1 3.38Å; R6-N216 PolarHBondContact NH2-O 2.96Å; R6-N216 WeakPolarHBondContact O-CA 3.44Å; R6-N216 PolarHBondContact O-ND2 3.18Å; R6-D305 PolarHBondContact NH2-O 3.48Å; R6-E307 PolarHBondContact NH1-O 3.35Å; R6-E307 VanDerWaalsContact NH1-O 3.07Å
7	V	97.7	Very high	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.			trans	-120.4	101.7	172.7	-179	0	0	0	0	109.6	L121 T122 V125 R187 L188 I214	V7-L121 HydrophobicContact CB-CB 4.36Å; V7-L121 HydrophobicContact CG1-CB 4.16Å; V7-L121 PolarHBondContact O-N 3.44Å; V7-T122 PolarHBondContact N-OG1 3.08Å; V7-V125 HydrophobicContact CB-CG2 4.29Å; V7-V125 HydrophobicContact CG1-CG2 4.19Å; V7-V125 HydrophobicContact CG2-CB 4.45Å; V7-V125 HydrophobicContact CG2-CG1 4.18Å; V7-V125 HydrophobicContact CG2-CG2 4.33Å; V7-R187 HydrophobicContact CG2-CB 3.91Å; V7-L188 HydrophobicContact CG1-CD2 4.37Å; V7-L188 HydrophobicContact CG2-CD2 4.29Å; V7-I214 HydrophobicContact CG1-CG2 4.36Å
8	V	98.3	Very high	86.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127	179.6	179.9	0	0	0	0	109.5	Y118 L119 A215 K218 A221 V309	V8-Y118 HydrophobicContact CG1-CD1 4.31Å; V8-L119 WeakPolarHBondContact CA-O 3.47Å; V8-A215 PolarHBondContact N-O 2.91Å; V8-A215 PolarHBondContact O-N 3.06Å; V8-K218 HydrophobicContact CG1-CG 3.97Å; V8-A221 HydrophobicContact CG1-CB 4.18Å; V8-V309 HydrophobicContact CG1-CG2 3.95Å; V8-V309 HydrophobicContact CG2-CG2 4.2Å
9	V	98.7	Very high	87.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.6	173.4	-178	0	0	0	0	109.4	V11 Y118 L119 L121 A195 A212 G213 I214	V9-V11 HydrophobicContact CG1-CG2 4.02Å; V9-Y118 CarbonylContact O-C 3.53Å; V9-Y118 WeakPolarHBondContact O-CA 3.35Å; V9-L119 HydrophobicContact CB-CB 4.28Å; V9-L119 HydrophobicContact CB-CD1 4.41Å; V9-L119 HydrophobicContact CG1-CD1 4.44Å; V9-L119 PolarHBondContact N-O 2.7Å; V9-L119 PolarHBondContact O-N 3.33Å; V9-L121 HydrophobicContact CB-CD1 4.41Å; V9-L121 HydrophobicContact CG2-CD1 3.47Å; V9-L121 VanDerWaalsContact CG2-CD1 3.47Å; V9-L121 HydrophobicContact CG2-CG 4Å; V9-A195 HydrophobicContact CG1-CB 3.94Å; V9-A195 HydrophobicContact CG2-CB 4.38Å; V9-A212 HydrophobicContact CG1-CB 4.19Å; V9-G213 CarbonylContact C-O 3.56Å; V9-G213 VanDerWaalsContact CA-O 3.3Å; V9-G213 WeakPolarHBondContact CA-O 3.38Å; V9-I214 HydrophobicContact CG1-CG1 4.29Å; V9-I214 HydrophobicContact CG2-CB 4.47Å; V9-I214 HydrophobicContact CG2-CG1 3.92Å; V9-I214 HydrophobicContact CG2-CG2 4.24Å
10	L	98.7	Very high	88	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.9	170.5	-172.7	-81.8	0	0	0	108.8	D12 E116 A117 Y118 A212 G213 A221 K222 C225	L10-D12 HydrophobicContact CD1-CB 4.02Å; L10-E116 HydrophobicContact CD1-CG 3.95Å; L10-E116 HydrophobicContact CD2-CG 3.35Å; L10-E116 HydrophobicContact CG-CG 4.24Å; L10-A117 VanDerWaalsContact CD2-O 3.23Å; L10-A117 WeakPolarHBondContact CD2-O 3.37Å; L10-Y118 HydrophobicContact CB-CD1 4.03Å; L10-Y118 HydrophobicContact CB-CE1 3.96Å; L10-Y118 HydrophobicContact CD2-CD1 3.54Å; L10-Y118 HydrophobicContact CD2-CD2 3.9Å; L10-Y118 HydrophobicContact CD2-CE1 3.39Å; L10-Y118 HydrophobicContact CD2-CE2 3.74Å; L10-Y118 HydrophobicContact CD2-CG 3.76Å; L10-Y118 VanDerWaalsContact CD2-CZ 3.44Å; L10-Y118 HydrophobicContact CG-CD1 4.01Å; L10-Y118 HydrophobicContact CG-CE1 3.59Å; L10-A212 CarbonylContact O-C 3.45Å; L10-A212 WeakPolarHBondContact O-CA 3.45Å; L10-G213 PolarHBondContact N-O 3.18Å; L10-G213 PolarHBondContact O-N 3.36Å; L10-A221 HydrophobicContact CB-CB 3.82Å; L10-K222 HydrophobicContact CD1-CD 3.55Å; L10-K222 HydrophobicContact CG-CB 4.23Å; L10-K222 HydrophobicContact CG-CD 3.95Å; L10-C225 HydrophobicContact CD1-CB 3.69Å
11	V	98.5	Very high	88.5	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.3	176.6	-175.8	0	0	0	0	109.2	V9 E116 A117 L119 I202 A210 A212	V9-V11 HydrophobicContact CG1-CG2 4.02Å; V11-E116 WeakPolarHBondContact O-CA 3.5Å; V11-A117 PolarHBondContact N-O 3.35Å; V11-A117 PolarHBondContact O-N 3.39Å; V11-L119 HydrophobicContact CG2-CD1 3.81Å; V11-L119 HydrophobicContact CG2-CG 4.42Å; V11-I202 HydrophobicContact CG1-CD1 4.08Å; V11-A210 HydrophobicContact CG1-CB 3.78Å; V11-A212 HydrophobicContact CG2-CB 4.35Å
12	D	98.6	Very high	91.4	Very high	17 Å²	17	20.9 Å²	20.9	9%	0.091	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	120.4	-171.6	-176.2	-46	0	0	0	109.6	L10 D14 D115 S211 K222 C225 K229	L10-D12 HydrophobicContact CD1-CB 4.02Å; D12-D14 PolarHBondContact O-N 2.77Å; D12-D115 CarbonylContact C-O 3.6Å; D12-D115 WeakPolarHBondContact CA-O 3.32Å; D12-S211 PolarHBondContact N-O 2.77Å; D12-S211 PolarHBondContact O-N 3.16Å; D12-K222 IonicContact OD2-NZ 3.34Å; D12-K222 PolarHBondContact OD2-NZ 3.42Å; D12-C225 WeakPolarHBondContact CB-SG 3.26Å; D12-K229 IonicContact OD1-NZ 2.74Å; D12-K229 PolarHBondContact OD1-NZ 3.21Å; D12-K229 IonicContact OD2-NZ 3.16Å; D12-K229 PolarHBondContact OD2-NZ 3.26Å
13	M	98.6	Very high	93.9	Very high	5 Å²	5	19 Å²	19	3%	0.025	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.8	-170.7	-59	-51.2	-62.1	0	0	112.2	C15 F16 V98 D115 I202 F208 R209 A210	M13-C15 PolarHBondContact O-N 2.91Å; M13-F16 HydrophobicContact CB-CB 3.91Å; M13-F16 HydrophobicContact CB-CD2 3.62Å; M13-F16 HydrophobicContact CB-CE2 4.43Å; M13-F16 HydrophobicContact CB-CG 3.95Å; M13-F16 HydrophobicContact CG-CD2 4.07Å; M13-F16 HydrophobicContact CG-CE2 4.42Å; M13-F16 PolarHBondContact O-N 3.38Å; M13-V98 HydrophobicContact CE-CG2 4Å; M13-V98 HydrophobicContact CG-CG1 4.34Å; M13-V98 HydrophobicContact CG-CG2 4.47Å; M13-V98 HydrophobicContact SD-CG1 3.74Å; M13-V98 HydrophobicContact SD-CG2 4.16Å; M13-D115 HydrophobicContact CB-CB 4.05Å; M13-D115 HydrophobicContact CG-CB 4.4Å; M13-D115 WeakPolarHBondContact CG-O 3.46Å; M13-D115 PolarHBondContact N-O 2.96Å; M13-I202 HydrophobicContact CE-CG2 3.7Å; M13-I202 HydrophobicContact SD-CG2 4.18Å; M13-F208 HydrophobicContact CE-CB 3.3Å; M13-F208 HydrophobicContact CE-CD2 4.47Å; M13-F208 HydrophobicContact CE-CG 4.32Å; M13-R209 WeakPolarHBondContact CE-O 3.35Å; M13-A210 HydrophobicContact CE-CB 4.03Å; M13-A210 HydrophobicContact SD-CB 3.62Å
14	D	98	Very high	95.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	127.1	-172.7	-88.9	-59.4	0	0	0	112.2	D12 F16 Q19 Y51 R209 S211 P230 N231	D12-D14 PolarHBondContact O-N 2.77Å; D14-F16 WeakPolarHBondContact O-CA 3.42Å; D14-F16 PolarHBondContact O-N 3.35Å; D14-Q19 WeakPolarHBondContact O-CG 3.33Å; D14-Q19 PolarHBondContact O-NE2 3.1Å; D14-Y51 HydrophobicContact CB-CE2 3.95Å; D14-Y51 WeakPolarHBondContact OD1-CE2 3.45Å; D14-Y51 PolarHBondContact OD1-OH 3.44Å; D14-R209 PolarHBondContact N-O 3.21Å; D14-S211 PolarHBondContact OD1-OG 3.12Å; D14-S211 PolarHBondContact OD2-N 2.58Å; D14-S211 PolarHBondContact OD2-OG 2.91Å; D14-P230 HydrophobicContact CB-CB 4.37Å; D14-P230 WeakPolarHBondContact OD1-CA 3.19Å; D14-N231 PolarHBondContact OD2-N 2.85Å
15	C	96.7	Very high	97.1	Very high	16 Å²	16	20 Å²	20	11%	0.108	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	27.1	-177.1	58.5	0	0	0	0	115.6	M13 Y17 V18 V49 Y51	M13-C15 PolarHBondContact O-N 2.91Å; C15-Y17 PolarHBondContact O-N 3.13Å; C15-V18 HydrophobicContact CB-CB 4.22Å; C15-V18 WeakPolarHBondContact O-CB 3.48Å; C15-V18 PolarHBondContact O-N 3.38Å; C15-V49 VanDerWaalsContact CB-O 3.26Å; C15-V49 WeakPolarHBondContact CB-O 3.14Å; C15-Y51 HydrophobicContact CB-CD2 4.19Å; C15-Y51 HydrophobicContact CB-CE2 3.89Å
16	F	98.4	Very high	97.6	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.018	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-25.2	-61.9	-150.7	-176.1	-133.2	0	0	0	117.8	M13 D14 V18 Q19 V20 A94 I114 D115 F208	M13-F16 HydrophobicContact CB-CB 3.91Å; M13-F16 HydrophobicContact CB-CD2 3.62Å; M13-F16 HydrophobicContact CB-CE2 4.43Å; M13-F16 HydrophobicContact CB-CG 3.95Å; M13-F16 HydrophobicContact CG-CD2 4.07Å; M13-F16 HydrophobicContact CG-CE2 4.42Å; M13-F16 PolarHBondContact O-N 3.38Å; D14-F16 WeakPolarHBondContact O-CA 3.42Å; D14-F16 PolarHBondContact O-N 3.35Å; F16-V18 PolarHBondContact O-N 2.74Å; F16-V18 VanDerWaalsContact O-N 3.13Å; F16-Q19 PolarHBondContact O-N 3.15Å; F16-V20 HydrophobicContact CD2-CG2 4.05Å; F16-V20 HydrophobicContact CE1-CG2 4.39Å; F16-V20 HydrophobicContact CE2-CG2 3.68Å; F16-V20 HydrophobicContact CZ-CG2 3.87Å; F16-V20 WeakPolarHBondContact O-CG2 3.42Å; F16-V20 PolarHBondContact O-N 3.35Å; F16-A94 HydrophobicContact CE2-CB 4.23Å; F16-A94 HydrophobicContact CZ-CB 3.73Å; F16-I114 HydrophobicContact CD1-CG2 4.42Å; F16-I114 HydrophobicContact CE1-CG1 4.24Å; F16-D115 HydrophobicContact CB-CB 3.78Å; F16-D115 HydrophobicContact CD1-CB 3.76Å; F16-D115 HydrophobicContact CG-CB 3.86Å; F16-F208 HydrophobicContact CE2-CD2 4.08Å; F16-F208 HydrophobicContact CE2-CE2 4.1Å
17	Y	98.2	Very high	97.7	Very high	30 Å²	30	27.2 Å²	27.2	12%	0.118	13%	0.128	C	C	.	.	H	α-helix	trans	-60.2	-28.6	-175.5	-74.8	28.2	0	0	0	113	C15 V20 E21 V35 I47 L88 Y91 I114	C15-Y17 PolarHBondContact O-N 3.13Å; Y17-V20 PolarHBondContact O-N 2.93Å; Y17-E21 WeakPolarHBondContact O-CG 3.48Å; Y17-E21 PolarHBondContact O-N 2.83Å; Y17-E21 VanDerWaalsContact O-N 3.14Å; Y17-V35 HydrophobicContact CD2-CG1 4.41Å; Y17-I47 HydrophobicContact CD2-CD1 3.45Å; Y17-I47 VanDerWaalsContact CD2-CD1 3.45Å; Y17-I47 HydrophobicContact CD2-CG1 4.48Å; Y17-I47 HydrophobicContact CE2-CD1 3.51Å; Y17-L88 HydrophobicContact CE2-CD2 4.04Å; Y17-Y91 AromaticContact CD1-CD1 3.86Å; Y17-Y91 HydrophobicContact CD1-CD1 3.86Å; Y17-Y91 AromaticContact CD1-CG 3.81Å; Y17-Y91 HydrophobicContact CD1-CG 3.81Å; Y17-Y91 AromaticContact CD2-CD1 3.73Å; Y17-Y91 HydrophobicContact CD2-CD1 3.73Å; Y17-Y91 AromaticContact CD2-CD2 3.58Å; Y17-Y91 HydrophobicContact CD2-CD2 3.58Å; Y17-Y91 AromaticContact CD2-CE1 3.88Å; Y17-Y91 HydrophobicContact CD2-CE1 3.88Å; Y17-Y91 AromaticContact CD2-CE2 3.72Å; Y17-Y91 HydrophobicContact CD2-CE2 3.72Å; Y17-Y91 AromaticContact CD2-CG 3.6Å; Y17-Y91 HydrophobicContact CD2-CG 3.6Å; Y17-Y91 AromaticContact CD2-CZ 3.89Å; Y17-Y91 VanDerWaalsContact CE1-CB 3.49Å; Y17-Y91 HydrophobicContact CE1-CD1 4.33Å; Y17-Y91 HydrophobicContact CE1-CD2 4.33Å; Y17-Y91 AromaticContact CE1-CG 3.8Å; Y17-Y91 HydrophobicContact CE1-CG 3.8Å; Y17-Y91 HydrophobicContact CE2-CD1 4.22Å; Y17-Y91 AromaticContact CE2-CD2 3.34Å; Y17-Y91 HydrophobicContact CE2-CD2 3.34Å; Y17-Y91 AromaticContact CE2-CE2 3.78Å; Y17-Y91 HydrophobicContact CE2-CE2 3.78Å; Y17-Y91 AromaticContact CE2-CG 3.6Å; Y17-Y91 HydrophobicContact CE2-CG 3.6Å; Y17-Y91 AromaticContact CG-CD1 3.54Å; Y17-Y91 HydrophobicContact CG-CD1 3.54Å; Y17-Y91 HydrophobicContact CG-CD2 4.2Å; Y17-Y91 AromaticContact CG-CE1 3.92Å; Y17-Y91 HydrophobicContact CG-CE1 3.92Å; Y17-Y91 AromaticContact CG-CG 3.72Å; Y17-Y91 HydrophobicContact CG-CG 3.72Å; Y17-Y91 AromaticContact CZ-CD2 3.75Å; Y17-Y91 AromaticContact CZ-CG 3.69Å; Y17-I114 HydrophobicContact CE1-CD1 4.16Å; Y17-I114 HydrophobicContact CE1-CG2 4.08Å
18	V	98.3	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.9	-43.3	175.2	176.2	0	0	0	0	110.4	C15 F16 V20 E21 Q22 T33 V35 A48	C15-V18 HydrophobicContact CB-CB 4.22Å; C15-V18 WeakPolarHBondContact O-CB 3.48Å; C15-V18 PolarHBondContact O-N 3.38Å; F16-V18 PolarHBondContact O-N 2.74Å; F16-V18 VanDerWaalsContact O-N 3.13Å; V18-V20 VanDerWaalsContact C-N 3.3Å; V18-V20 PolarHBondContact O-N 3.14Å; V18-E21 PolarHBondContact O-N 3.23Å; V18-Q22 HydrophobicContact CG1-CG 4.25Å; V18-Q22 WeakPolarHBondContact O-CB 3.35Å; V18-Q22 VanDerWaalsContact O-CG 3.28Å; V18-Q22 WeakPolarHBondContact O-CG 3.47Å; V18-Q22 PolarHBondContact O-N 3.37Å; V18-T33 HydrophobicContact CG1-CG2 3.86Å; V18-V35 HydrophobicContact CG2-CG2 3.88Å; V18-A48 HydrophobicContact CG2-CB 4.07Å
19	Q	98.3	Very high	97.5	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-34.9	172.9	-71.6	-165.2	95.1	0	0	112.4	D14 F16 Q22 R23 W29 F208 R209	D14-Q19 WeakPolarHBondContact O-CG 3.33Å; D14-Q19 PolarHBondContact O-NE2 3.1Å; F16-Q19 PolarHBondContact O-N 3.15Å; Q19-Q22 PolarHBondContact O-N 2.85Å; Q19-R23 WeakPolarHBondContact O-CB 3.45Å; Q19-R23 PolarHBondContact O-N 2.71Å; Q19-W29 HydrophobicContact CB-CH2 4.35Å; Q19-W29 HydrophobicContact CG-CH2 3.98Å; Q19-W29 HydrophobicContact CG-CZ3 4.29Å; Q19-F208 HydrophobicContact CB-CD1 3.92Å; Q19-F208 HydrophobicContact CB-CE1 4.48Å; Q19-R209 PolarHBondContact NE2-O 2.86Å
20	V	98.3	Very high	97.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-43	174.4	178.4	0	0	0	0	111.5	F16 Y17 V18 E24 K90 Y91 A94 F208	F16-V20 HydrophobicContact CD2-CG2 4.05Å; F16-V20 HydrophobicContact CE1-CG2 4.39Å; F16-V20 HydrophobicContact CE2-CG2 3.68Å; F16-V20 HydrophobicContact CZ-CG2 3.87Å; F16-V20 WeakPolarHBondContact O-CG2 3.42Å; F16-V20 PolarHBondContact O-N 3.35Å; Y17-V20 PolarHBondContact O-N 2.93Å; V18-V20 VanDerWaalsContact C-N 3.3Å; V18-V20 PolarHBondContact O-N 3.14Å; V20-E24 PolarHBondContact O-N 3.03Å; V20-K90 HydrophobicContact CG1-CD 3.58Å; V20-K90 HydrophobicContact CG1-CG 3.75Å; V20-Y91 HydrophobicContact CB-CD1 3.85Å; V20-Y91 HydrophobicContact CB-CE1 4.17Å; V20-Y91 HydrophobicContact CG1-CD1 3.69Å; V20-Y91 HydrophobicContact CG1-CE1 4Å; V20-Y91 HydrophobicContact CG2-CD1 4.18Å; V20-A94 HydrophobicContact CG1-CB 4.12Å; V20-A94 HydrophobicContact CG2-CB 3.6Å; V20-F208 HydrophobicContact CB-CE1 4.45Å; V20-F208 HydrophobicContact CB-CZ 4.43Å; V20-F208 HydrophobicContact CG2-CE1 4Å; V20-F208 HydrophobicContact CG2-CE2 4.43Å; V20-F208 HydrophobicContact CG2-CZ 3.75Å
21	E	98	Very high	97.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-72.5	-38.4	174.6	-60.6	-61.6	147.1	0	0	112.4	Y17 V18 R23 E24 R25 V35 V77 K90 Y91	Y17-E21 WeakPolarHBondContact O-CG 3.48Å; Y17-E21 PolarHBondContact O-N 2.83Å; Y17-E21 VanDerWaalsContact O-N 3.14Å; V18-E21 PolarHBondContact O-N 3.23Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 3.34Å; E21-E24 PolarHBondContact O-N 3.39Å; E21-R25 WeakPolarHBondContact O-CB 3.46Å; E21-R25 PolarHBondContact O-N 2.87Å; E21-V35 HydrophobicContact CG-CG2 3.92Å; E21-V77 HydrophobicContact CB-CB 4.5Å; E21-V77 HydrophobicContact CB-CG1 4.04Å; E21-V77 HydrophobicContact CB-CG2 4.46Å; E21-V77 HydrophobicContact CG-CB 4.23Å; E21-V77 HydrophobicContact CG-CG1 3.65Å; E21-V77 WeakPolarHBondContact OE2-CG1 3.27Å; E21-K90 WeakPolarHBondContact OE1-CD 3.46Å; E21-K90 IonicContact OE1-NZ 3.91Å; E21-K90 PolarHBondContact OE1-NZ 2.77Å; E21-K90 IonicContact OE2-NZ 3.19Å; E21-K90 PolarHBondContact OE2-NZ 2.86Å; E21-Y91 HydrophobicContact CG-CE1 4.37Å; E21-Y91 VanDerWaalsContact OE1-CE1 3.26Å; E21-Y91 WeakPolarHBondContact OE1-CE1 3.39Å; E21-Y91 VanDerWaalsContact OE1-CZ 3.29Å; E21-Y91 PolarHBondContact OE1-OH 3.27Å
22	Q	97.1	Very high	97.1	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-28.2	175.5	-72.5	171.8	-48	0	0	112.8	V18 Q19 R25 P26 L28 W29	V18-Q22 HydrophobicContact CG1-CG 4.25Å; V18-Q22 WeakPolarHBondContact O-CB 3.35Å; V18-Q22 VanDerWaalsContact O-CG 3.28Å; V18-Q22 WeakPolarHBondContact O-CG 3.47Å; V18-Q22 PolarHBondContact O-N 3.37Å; Q19-Q22 PolarHBondContact O-N 2.85Å; Q22-R25 CarbonylContact O-C 3.22Å; Q22-R25 PolarHBondContact O-N 3.11Å; Q22-R25 VanDerWaalsContact O-O 3.12Å; Q22-P26 WeakPolarHBondContact O-CA 3.34Å; Q22-L28 HydrophobicContact CB-CB 4.47Å; Q22-L28 HydrophobicContact CG-CB 3.71Å; Q22-L28 PolarHBondContact NE2-O 3.03Å; Q22-W29 HydrophobicContact CB-CD2 3.86Å; Q22-W29 HydrophobicContact CB-CE3 4.25Å; Q22-W29 HydrophobicContact CB-CG 4.34Å; Q22-W29 HydrophobicContact CB-CH2 4.23Å; Q22-W29 HydrophobicContact CB-CZ2 3.82Å; Q22-W29 HydrophobicContact CB-CZ3 4.42Å; Q22-W29 HydrophobicContact CG-CD2 4.38Å; Q22-W29 HydrophobicContact CG-CE3 4.49Å; Q22-W29 PolarHBondContact O-NE1 3.41Å
23	R	96.7	Very high	97.1	Very high	80 Å²	80	39.6 Å²	39.6	30%	0.302	20%	0.198	S	C	.	.	H	α-helix	trans	-70.6	-38.6	173.4	-171.3	177.6	75.9	169	7.4	112.5	Q19 E21 E97 T206 Q207 F208	Q19-R23 WeakPolarHBondContact O-CB 3.45Å; Q19-R23 PolarHBondContact O-N 2.71Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 3.34Å; R23-E97 IonicContact CZ-OE1 3.63Å; R23-E97 IonicContact CZ-OE2 3.95Å; R23-E97 IonicContact NH1-OE1 3.34Å; R23-E97 IonicContact NH1-OE2 2.71Å; R23-E97 PolarHBondContact NH1-OE2 3.5Å; R23-E97 IonicContact NH2-OE1 3.08Å; R23-E97 PolarHBondContact NH2-OE1 3.14Å; R23-E97 IonicContact NH2-OE2 3.13Å; R23-E97 PolarHBondContact NH2-OE2 3.15Å; R23-T206 WeakPolarHBondContact CD-O 3.27Å; R23-T206 PolarHBondContact NH1-O 3.23Å; R23-Q207 HydrophobicContact CG-CB 4.45Å; R23-F208 HydrophobicContact CB-CE1 3.97Å; R23-F208 HydrophobicContact CG-CE1 4.41Å; R23-F208 VanDerWaalsContact NH1-CZ 3.27Å
24	E	95.7	Very high	97.1	Very high	106 Å²	106	39.4 Å²	39.4	50%	0.495	20%	0.197	S	C	.	.	H	α-helix	trans	-77.8	-22.9	173.4	-72.5	-176.2	-170.1	0	0	113.1	V20 E21 K90	V20-E24 PolarHBondContact O-N 3.03Å; E21-E24 PolarHBondContact O-N 3.39Å; E24-K90 VanDerWaalsContact CD-NZ 3.32Å; E24-K90 WeakPolarHBondContact OE1-CD 3.14Å; E24-K90 WeakPolarHBondContact OE1-CE 3.38Å; E24-K90 WeakPolarHBondContact OE1-CG 3.44Å; E24-K90 IonicContact OE1-NZ 2.91Å; E24-K90 PolarHBondContact OE1-NZ 2.88Å; E24-K90 VanDerWaalsContact OE2-CE 3.25Å; E24-K90 WeakPolarHBondContact OE2-CE 3.3Å; E24-K90 IonicContact OE2-NZ 2.84Å; E24-K90 PolarHBondContact OE2-NZ 3.33Å
25	R	96.8	Very high	97.1	Very high	103 Å²	103	39.2 Å²	39.2	39%	0.389	20%	0.196	S	C	.	.			trans	-132	80	-176.2	-63.4	-172.6	-157.6	-176	6.4	110.7	E21 Q22 E27 L28	E21-R25 WeakPolarHBondContact O-CB 3.46Å; E21-R25 PolarHBondContact O-N 2.87Å; Q22-R25 CarbonylContact O-C 3.22Å; Q22-R25 PolarHBondContact O-N 3.11Å; Q22-R25 VanDerWaalsContact O-O 3.12Å; R25-E27 VanDerWaalsContact CA-OE2 3.26Å; R25-E27 WeakPolarHBondContact CA-OE2 3.34Å; R25-E27 WeakPolarHBondContact CB-OE1 3.1Å; R25-E27 PolarHBondContact O-N 2.83Å; R25-L28 HydrophobicContact CB-CD1 3.82Å; R25-L28 HydrophobicContact CB-CG 3.94Å; R25-L28 WeakPolarHBondContact O-CB 3.12Å; R25-L28 PolarHBondContact O-N 3.31Å
26	P	94.8	Very high	97	Very high	87 Å²	87	38.9 Å²	38.9	57%	0.565	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-57.3	-22.4	-175.9	-26.5	36.2	0	0	0	114	Q22 L28 W29	Q22-P26 WeakPolarHBondContact O-CA 3.34Å; P26-L28 PolarHBondContact O-N 2.86Å; P26-L28 VanDerWaalsContact O-N 3.16Å; P26-W29 PolarHBondContact O-N 3.32Å
27	E	97.3	Very high	96.6	Very high	108 Å²	108	42.2 Å²	42.2	51%	0.505	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-67.2	-5.4	174.3	78	-76.5	-175.8	0	0	114.5	R25 K31	R25-E27 VanDerWaalsContact CA-OE2 3.26Å; R25-E27 WeakPolarHBondContact CA-OE2 3.34Å; R25-E27 WeakPolarHBondContact CB-OE1 3.1Å; R25-E27 PolarHBondContact O-N 2.83Å; E27-K31 VanDerWaalsContact O-CD 3.29Å; E27-K31 WeakPolarHBondContact O-CD 3.4Å; E27-K31 WeakPolarHBondContact O-CE 3.22Å; E27-K31 PolarHBondContact O-NZ 3.31Å
28	L	97.1	Very high	95.2	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-95.9	-7.2	175.4	-62.4	-178.1	0	0	0	114.2	Q22 R25 P26 K31 T33 Q75 V77	Q22-L28 HydrophobicContact CB-CB 4.47Å; Q22-L28 HydrophobicContact CG-CB 3.71Å; Q22-L28 PolarHBondContact NE2-O 3.03Å; R25-L28 HydrophobicContact CB-CD1 3.82Å; R25-L28 HydrophobicContact CB-CG 3.94Å; R25-L28 WeakPolarHBondContact O-CB 3.12Å; R25-L28 PolarHBondContact O-N 3.31Å; P26-L28 PolarHBondContact O-N 2.86Å; P26-L28 VanDerWaalsContact O-N 3.16Å; L28-K31 PolarHBondContact O-N 3.33Å; L28-T33 HydrophobicContact CD1-CG2 4.24Å; L28-Q75 HydrophobicContact CD2-CB 3.87Å; L28-Q75 HydrophobicContact CD2-CG 3.91Å; L28-V77 HydrophobicContact CD1-CG2 3.61Å
29	W	94.5	Very high	94.1	Very high	104 Å²	104	48.8 Å²	48.8	39%	0.394	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	135.9	174.9	-73.5	109.4	0	0	0	111.2	Q19 Q22 P26 K31	Q19-W29 HydrophobicContact CB-CH2 4.35Å; Q19-W29 HydrophobicContact CG-CH2 3.98Å; Q19-W29 HydrophobicContact CG-CZ3 4.29Å; Q22-W29 HydrophobicContact CB-CD2 3.86Å; Q22-W29 HydrophobicContact CB-CE3 4.25Å; Q22-W29 HydrophobicContact CB-CG 4.34Å; Q22-W29 HydrophobicContact CB-CH2 4.23Å; Q22-W29 HydrophobicContact CB-CZ2 3.82Å; Q22-W29 HydrophobicContact CB-CZ3 4.42Å; Q22-W29 HydrophobicContact CG-CD2 4.38Å; Q22-W29 HydrophobicContact CG-CE3 4.49Å; Q22-W29 PolarHBondContact O-NE1 3.41Å; P26-W29 PolarHBondContact O-N 3.32Å; W29-K31 PolarHBondContact O-N 3.46Å
30	G	93.1	Very high	92.8	Very high	62 Å²	62	56.7 Å²	56.7	64%	0.639	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	8	-179.5	0	0	0	0	0	114.9	E52	G30-E52 WeakPolarHBondContact CA-OE1 3.32Å; G30-E52 PolarHBondContact N-OE1 3.37Å
31	K	97.5	Very high	91.9	Very high	89 Å²	89	63.7 Å²	63.7	39%	0.387	30%	0.302	S	S	.	.	S	Bend	trans	-108.1	143.6	176.5	-67.1	-177.3	-174.8	161.9	0	111.2	E27 L28 W29 T33 Q75	E27-K31 VanDerWaalsContact O-CD 3.29Å; E27-K31 WeakPolarHBondContact O-CD 3.4Å; E27-K31 WeakPolarHBondContact O-CE 3.22Å; E27-K31 PolarHBondContact O-NZ 3.31Å; L28-K31 PolarHBondContact O-N 3.33Å; W29-K31 PolarHBondContact O-N 3.46Å; K31-T33 PolarHBondContact O-N 3.18Å; K31-T33 PolarHBondContact O-OG1 2.96Å; K31-Q75 HydrophobicContact CB-CG 4.28Å; K31-Q75 HydrophobicContact CD-CG 4.37Å
32	P	98.1	Very high	91.3	Very high	18 Å²	18	68.5 Å²	68.5	12%	0.117	32%	0.32	C	S	.	.			trans	-57.3	113.1	170.4	25.2	-32.7	0	0	0	109.2	E52 A53 F56 C71 E73 L74 Q75	P32-E52 HydrophobicContact CB-CB 4.46Å; P32-A53 HydrophobicContact CB-CB 3.87Å; P32-F56 HydrophobicContact CB-CD2 4.32Å; P32-F56 HydrophobicContact CB-CE2 4.44Å; P32-F56 HydrophobicContact CG-CE2 4.48Å; P32-C71 VanDerWaalsContact CB-SG 3.59Å; P32-E73 HydrophobicContact CG-CG 3.85Å; P32-L74 HydrophobicContact CB-CD1 4.27Å; P32-Q75 PolarHBondContact O-N 3.1Å
33	T	98.4	Very high	90.6	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.1	-172	-55.2	0	0	0	0	110.4	V18 L28 K31 G50 Q75 V77	V18-T33 HydrophobicContact CG1-CG2 3.86Å; L28-T33 HydrophobicContact CD1-CG2 4.24Å; K31-T33 PolarHBondContact O-N 3.18Å; K31-T33 PolarHBondContact O-OG1 2.96Å; T33-G50 PolarHBondContact O-N 2.9Å; T33-Q75 WeakPolarHBondContact CA-O 3.47Å; T33-Q75 HydrophobicContact CG2-CB 4.27Å; T33-V77 HydrophobicContact CG2-CG2 3.91Å
34	A	97.9	Very high	90.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.3	175.5	0	0	0	0	0	111.6	I46 A48 L74 Q75 L76 V77	A34-I46 HydrophobicContact CB-CD1 4.09Å; A34-I46 HydrophobicContact CB-CG1 4.35Å; A34-I46 HydrophobicContact CB-CG2 4.16Å; A34-A48 WeakPolarHBondContact CA-O 3.45Å; A34-L74 HydrophobicContact CB-CD1 4.01Å; A34-Q75 PolarHBondContact N-O 3.1Å; A34-L76 HydrophobicContact CB-CD2 4.24Å; A34-L76 WeakPolarHBondContact O-CA 3.45Å; A34-V77 PolarHBondContact O-N 3.31Å
35	V	97.5	Very high	90.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.4	178.6	177.2	0	0	0	0	109.9	Y17 V18 E21 I47 A48 V77 V79	Y17-V35 HydrophobicContact CD2-CG1 4.41Å; V18-V35 HydrophobicContact CG2-CG2 3.88Å; E21-V35 HydrophobicContact CG-CG2 3.92Å; V35-I47 HydrophobicContact CB-CG1 4.35Å; V35-I47 HydrophobicContact CG1-CD1 4.06Å; V35-I47 HydrophobicContact CG1-CG1 4.01Å; V35-I47 VanDerWaalsContact O-CG1 3.27Å; V35-I47 WeakPolarHBondContact O-CG1 3.45Å; V35-I47 PolarHBondContact O-N 2.98Å; V35-A48 HydrophobicContact CB-CB 4.35Å; V35-A48 PolarHBondContact N-O 3.44Å; V35-V77 CarbonylContact C-O 3.58Å; V35-V77 WeakPolarHBondContact CA-O 3.47Å; V35-V77 HydrophobicContact CG2-CB 4.49Å; V35-V79 HydrophobicContact CG1-CG2 3.47Å; V35-V79 VanDerWaalsContact CG1-CG2 3.47Å
36	V	95.4	Very high	90.1	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132	-179.3	-69.8	0	0	0	0	112.3	G45 I46 L76 V77 Q78 V79	V36-G45 WeakPolarHBondContact CA-O 3.29Å; V36-I46 HydrophobicContact CG1-CB 4.45Å; V36-I46 HydrophobicContact CG1-CG1 3.55Å; V36-L76 HydrophobicContact CG1-CD2 4.04Å; V36-V77 PolarHBondContact N-O 2.79Å; V36-Q78 HydrophobicContact CG2-CB 4.36Å; V36-V79 WeakPolarHBondContact O-CG2 3.38Å; V36-V79 PolarHBondContact O-N 3Å
37	Q	89.7	Confident	90.1	Very high	75 Å²	75	57.1 Å²	57.1	35%	0.35	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.3	160.8	-75.8	-176.5	5.3	0	0	109	N39 G44 G45 I47 V79 A86	Q37-N39 PolarHBondContact O-N 2.93Å; Q37-G44 VanDerWaalsContact O-CA 3.29Å; Q37-G44 WeakPolarHBondContact O-CA 3.49Å; Q37-G45 PolarHBondContact N-O 3.36Å; Q37-G45 PolarHBondContact O-N 3.06Å; Q37-I47 HydrophobicContact CB-CG2 4.3Å; Q37-I47 HydrophobicContact CG-CD1 3.9Å; Q37-I47 HydrophobicContact CG-CG1 4.26Å; Q37-I47 HydrophobicContact CG-CG2 3.81Å; Q37-V79 HydrophobicContact CG-CB 4.39Å; Q37-V79 HydrophobicContact CG-CG2 4Å; Q37-A86 HydrophobicContact CG-CB 4.19Å
38	Y	69.9	Low	90.1	Very high	115 Å²	115	52.6 Å²	52.6	45%	0.451	26%	0.256	S	S	.	.			trans	-67.7	125.9	-174.3	-174.5	-102.5	0	0	0	113	Q40	Y38-Q40 HydrophobicContact CE1-CG 4.04Å; Y38-Q40 WeakPolarHBondContact OH-CG 3.28Å
39	N	73.5	Confident	90.2	Very high	53 Å²	53	52.6 Å²	52.6	28%	0.283	26%	0.256	S	S	.	.			trans	-139.7	153.1	143.2	63	-15.3	0	0	0	108.3	Q37 W41 G44 R63	Q37-N39 PolarHBondContact O-N 2.93Å; N39-W41 PolarHBondContact O-N 2.91Å; N39-W41 PolarHBondContact OD1-O 3.08Å; N39-G44 PolarHBondContact O-N 3.42Å; N39-G44 VanDerWaalsContact O-N 3.16Å; N39-G44 VanDerWaalsContact OD1-CA 3.3Å; N39-G44 WeakPolarHBondContact OD1-CA 3.14Å; N39-R63 PolarHBondContact OD1-NH1 3.22Å
40	Q	71.7	Confident	90.3	Very high	170 Å²	170	47.7 Å²	47.7	79%	0.794	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.5	178.4	-73.6	171.4	-18.8	0	0	113.4	Y38 R42	Y38-Q40 HydrophobicContact CE1-CG 4.04Å; Y38-Q40 WeakPolarHBondContact OH-CG 3.28Å; Q40-R42 PolarHBondContact O-N 2.91Å
41	W	80.1	Confident	90.5	Very high	149 Å²	149	47.1 Å²	47.1	56%	0.564	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	109.3	179.4	-166	76.4	0	0	0	111	N39 N43 G44 R63	N39-W41 PolarHBondContact O-N 2.91Å; N39-W41 PolarHBondContact OD1-O 3.08Å; W41-N43 PolarHBondContact O-N 3.27Å; W41-G44 PolarHBondContact O-N 2.99Å; W41-R63 HydrophobicContact CE3-CG 4.28Å; W41-R63 HydrophobicContact CZ3-CG 3.8Å
42	R	84.2	Confident	90.5	Very high	101 Å²	101	45.6 Å²	45.6	38%	0.381	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	44.4	169.8	-60	-168.7	71.1	161.3	10.3	114.1	Q40 G44 R63 G64 D65	Q40-R42 PolarHBondContact O-N 2.91Å; R42-G44 PolarHBondContact O-N 2.8Å; R42-R63 HydrophobicContact CB-CB 3.81Å; R42-R63 HydrophobicContact CB-CG 4.06Å; R42-R63 WeakPolarHBondContact O-CB 3.44Å; R42-G64 PolarHBondContact O-N 3.19Å; R42-D65 WeakPolarHBondContact CB-OD1 3.44Å; R42-D65 IonicContact CZ-OD1 2.65Å; R42-D65 IonicContact CZ-OD2 3.57Å; R42-D65 VanDerWaalsContact NE-CG 3.31Å; R42-D65 IonicContact NE-OD1 3.92Å; R42-D65 PolarHBondContact NE-OD1 3.43Å; R42-D65 VanDerWaalsContact NE-OD1 3.08Å; R42-D65 IonicContact NE-OD2 3.76Å; R42-D65 PolarHBondContact NE-OD2 2.83Å; R42-D65 IonicContact NH2-OD1 3.69Å; R42-D65 PolarHBondContact NH2-OD1 3.06Å; R42-D65 IonicContact NH2-OD2 2.69Å; R42-D65 PolarHBondContact NH2-OD2 3.18Å; R42-D65 PolarHBondContact O-N 2.73Å
43	N	83.6	Confident	90.5	Very high	89 Å²	89	44.8 Å²	44.8	48%	0.476	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	40.9	178.3	-61.6	-8.1	0	0	0	114.2	W41 L76	W41-N43 PolarHBondContact O-N 3.27Å; N43-L76 HydrophobicContact CB-CD1 4.27Å
44	G	88.6	Confident	90.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	22%	0.223	C	C	.	.			trans	81.4	-172	175.7	0	0	0	0	0	114.5	Q37 N39 W41 R42 R63	Q37-G44 VanDerWaalsContact O-CA 3.29Å; Q37-G44 WeakPolarHBondContact O-CA 3.49Å; N39-G44 PolarHBondContact O-N 3.42Å; N39-G44 VanDerWaalsContact O-N 3.16Å; N39-G44 VanDerWaalsContact OD1-CA 3.3Å; N39-G44 WeakPolarHBondContact OD1-CA 3.14Å; W41-G44 PolarHBondContact O-N 2.99Å; R42-G44 PolarHBondContact O-N 2.8Å; G44-R63 WeakPolarHBondContact O-CD 3.41Å; G44-R63 PolarHBondContact O-NH1 3.24Å
45	G	92.8	Very high	90.3	Very high	14 Å²	14	53.1 Å²	53.1	14%	0.144	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.6	169.9	0	0	0	0	0	110.8	V36 Q37 I47	V36-G45 WeakPolarHBondContact CA-O 3.29Å; Q37-G45 PolarHBondContact N-O 3.36Å; Q37-G45 PolarHBondContact O-N 3.06Å; G45-I47 PolarHBondContact O-N 3.36Å
46	I	95.9	Very high	90.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.9	179.8	-69.9	177.4	0	0	0	110.2	A34 V36 V49 V58 G61 M62 A67 L76	A34-I46 HydrophobicContact CB-CD1 4.09Å; A34-I46 HydrophobicContact CB-CG1 4.35Å; A34-I46 HydrophobicContact CB-CG2 4.16Å; V36-I46 HydrophobicContact CG1-CB 4.45Å; V36-I46 HydrophobicContact CG1-CG1 3.55Å; I46-V49 HydrophobicContact CG2-CG2 3.42Å; I46-V49 VanDerWaalsContact CG2-CG2 3.42Å; I46-V58 HydrophobicContact CD1-CG1 3.92Å; I46-G61 PolarHBondContact O-N 3.33Å; I46-M62 WeakPolarHBondContact CB-O 3.45Å; I46-M62 HydrophobicContact CD1-CB 4.27Å; I46-M62 PolarHBondContact N-O 2.81Å; I46-A67 HydrophobicContact CD1-CB 3.31Å; I46-L76 HydrophobicContact CD1-CD2 4.34Å
47	I	96	Very high	90.3	Very high	34 Å²	34	63.5 Å²	63.5	17%	0.174	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-23.3	179.8	57.4	154.9	0	0	0	114	Y17 V35 Q37 G45 R60 V79	Y17-I47 HydrophobicContact CD2-CD1 3.45Å; Y17-I47 VanDerWaalsContact CD2-CD1 3.45Å; Y17-I47 HydrophobicContact CD2-CG1 4.48Å; Y17-I47 HydrophobicContact CE2-CD1 3.51Å; V35-I47 HydrophobicContact CB-CG1 4.35Å; V35-I47 HydrophobicContact CG1-CD1 4.06Å; V35-I47 HydrophobicContact CG1-CG1 4.01Å; V35-I47 VanDerWaalsContact O-CG1 3.27Å; V35-I47 WeakPolarHBondContact O-CG1 3.45Å; V35-I47 PolarHBondContact O-N 2.98Å; Q37-I47 HydrophobicContact CB-CG2 4.3Å; Q37-I47 HydrophobicContact CG-CD1 3.9Å; Q37-I47 HydrophobicContact CG-CG1 4.26Å; Q37-I47 HydrophobicContact CG-CG2 3.81Å; G45-I47 PolarHBondContact O-N 3.36Å; I47-R60 VanDerWaalsContact O-CD 3.24Å; I47-R60 WeakPolarHBondContact O-CD 3.42Å; I47-R60 WeakPolarHBondContact O-CG 3.32Å; I47-R60 PolarHBondContact O-NE 3.15Å; I47-V79 HydrophobicContact CD1-CG2 3.88Å
48	A	97.4	Very high	90.6	Very high	14 Å²	14	60 Å²	60	12%	0.116	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.5	174.7	0	0	0	0	0	110.8	V18 A34 V35	V18-A48 HydrophobicContact CG2-CB 4.07Å; A34-A48 WeakPolarHBondContact CA-O 3.45Å; V35-A48 HydrophobicContact CB-CB 4.35Å; V35-A48 PolarHBondContact N-O 3.44Å
49	V	98	Very high	91.8	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.2	-174.3	-169	0	0	0	0	109.9	C15 I46 A53 R54 V58	C15-V49 VanDerWaalsContact CB-O 3.26Å; C15-V49 WeakPolarHBondContact CB-O 3.14Å; I46-V49 HydrophobicContact CG2-CG2 3.42Å; I46-V49 VanDerWaalsContact CG2-CG2 3.42Å; V49-A53 HydrophobicContact CG1-CB 3.57Å; V49-R54 HydrophobicContact CB-CG 4.25Å; V49-R54 HydrophobicContact CG1-CG 3.86Å; V49-R54 PolarHBondContact O-NE 3.2Å; V49-R54 PolarHBondContact O-NH2 3.28Å; V49-V58 HydrophobicContact CG1-CB 4.01Å; V49-V58 HydrophobicContact CG1-CG1 3.83Å; V49-V58 HydrophobicContact CG2-CG1 4.2Å
50	G	97.8	Very high	92.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.31	C	S	.	.			trans	-67.3	157.7	173.1	0	0	0	0	0	111.6	T33 E52 A53 R54	T33-G50 PolarHBondContact O-N 2.9Å; G50-E52 VanDerWaalsContact C-N 3.28Å; G50-E52 PolarHBondContact O-N 2.98Å; G50-A53 PolarHBondContact O-N 3.03Å; G50-R54 WeakPolarHBondContact O-CG 3.36Å; G50-R54 PolarHBondContact O-N 2.83Å; G50-R54 VanDerWaalsContact O-N 3.07Å
51	Y	96.3	Very high	93.7	Very high	51 Å²	51	62.2 Å²	62.2	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-69.5	-32	-172.8	-73.4	-95.2	0	0	0	111.8	D14 C15 A53 R54 A55 K229 P230	D14-Y51 HydrophobicContact CB-CE2 3.95Å; D14-Y51 WeakPolarHBondContact OD1-CE2 3.45Å; D14-Y51 PolarHBondContact OD1-OH 3.44Å; C15-Y51 HydrophobicContact CB-CD2 4.19Å; C15-Y51 HydrophobicContact CB-CE2 3.89Å; Y51-A53 VanDerWaalsContact C-N 3.35Å; Y51-A53 PolarHBondContact O-N 3.45Å; Y51-R54 WeakPolarHBondContact O-CB 3.39Å; Y51-R54 PolarHBondContact O-N 2.87Å; Y51-R54 VanDerWaalsContact O-N 3.16Å; Y51-R54 PolarHBondContact OH-NH1 2.89Å; Y51-A55 PolarHBondContact O-N 3Å; Y51-K229 HydrophobicContact CE1-CB 4.17Å; Y51-P230 HydrophobicContact CD1-CB 4.06Å; Y51-P230 HydrophobicContact CD1-CG 3.85Å; Y51-P230 HydrophobicContact CD2-CB 3.84Å; Y51-P230 HydrophobicContact CD2-CG 4.13Å; Y51-P230 HydrophobicContact CE1-CB 3.88Å; Y51-P230 HydrophobicContact CE1-CG 4.13Å; Y51-P230 HydrophobicContact CE2-CB 3.66Å; Y51-P230 HydrophobicContact CE2-CG 4.4Å; Y51-P230 HydrophobicContact CG-CB 4.04Å; Y51-P230 HydrophobicContact CG-CG 3.86Å
52	E	97.3	Very high	94.4	Very high	57 Å²	57	57 Å²	57	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-56	-46.3	170.4	-52.1	93.4	142.6	0	0	111.1	G30 P32 G50 A55 F56	G30-E52 WeakPolarHBondContact CA-OE1 3.32Å; G30-E52 PolarHBondContact N-OE1 3.37Å; P32-E52 HydrophobicContact CB-CB 4.46Å; G50-E52 VanDerWaalsContact C-N 3.28Å; G50-E52 PolarHBondContact O-N 2.98Å; E52-A55 WeakPolarHBondContact O-CB 3.34Å; E52-A55 PolarHBondContact O-N 3.37Å; E52-F56 VanDerWaalsContact O-CD2 3.28Å; E52-F56 WeakPolarHBondContact O-CD2 3.47Å
53	A	97.8	Very high	94.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-73.2	-28.2	177.3	0	0	0	0	0	113.1	P32 V49 G50 Y51 A55 F56 V58 L74	P32-A53 HydrophobicContact CB-CB 3.87Å; V49-A53 HydrophobicContact CG1-CB 3.57Å; G50-A53 PolarHBondContact O-N 3.03Å; Y51-A53 VanDerWaalsContact C-N 3.35Å; Y51-A53 PolarHBondContact O-N 3.45Å; A53-A55 VanDerWaalsContact C-N 3.29Å; A53-A55 PolarHBondContact O-N 2.77Å; A53-F56 CarbonylContact O-C 3.53Å; A53-F56 PolarHBondContact O-N 3.46Å; A53-V58 HydrophobicContact CB-CB 4.24Å; A53-V58 HydrophobicContact CB-CG2 4.42Å; A53-V58 VanDerWaalsContact O-CB 3.26Å; A53-V58 WeakPolarHBondContact O-CB 3.34Å; A53-V58 WeakPolarHBondContact O-CG2 3.37Å; A53-V58 PolarHBondContact O-N 3.24Å; A53-L74 HydrophobicContact CB-CD1 3.72Å
54	R	96.7	Very high	95.3	Very high	100 Å²	100	51.1 Å²	51.1	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-28.9	174.5	-66.5	176.6	-155.3	-179.3	10.3	112.5	V49 G50 Y51 F56 H57	V49-R54 HydrophobicContact CB-CG 4.25Å; V49-R54 HydrophobicContact CG1-CG 3.86Å; V49-R54 PolarHBondContact O-NE 3.2Å; V49-R54 PolarHBondContact O-NH2 3.28Å; G50-R54 WeakPolarHBondContact O-CG 3.36Å; G50-R54 PolarHBondContact O-N 2.83Å; G50-R54 VanDerWaalsContact O-N 3.07Å; Y51-R54 WeakPolarHBondContact O-CB 3.39Å; Y51-R54 PolarHBondContact O-N 2.87Å; Y51-R54 VanDerWaalsContact O-N 3.16Å; Y51-R54 PolarHBondContact OH-NH1 2.89Å; R54-F56 PolarHBondContact O-N 3.39Å; R54-H57 WeakPolarHBondContact O-CA 3.38Å; R54-H57 PolarHBondContact O-N 2.85Å
55	A	95.9	Very high	95.6	Very high	75 Å²	75	53.5 Å²	53.5	62%	0.62	27%	0.268	S	S	*	.	H	α-helix	trans	-61.1	-36.2	173.3	0	0	0	0	0	111.7	Y51 E52 A53 H57	Y51-A55 PolarHBondContact O-N 3Å; E52-A55 WeakPolarHBondContact O-CB 3.34Å; E52-A55 PolarHBondContact O-N 3.37Å; A53-A55 VanDerWaalsContact C-N 3.29Å; A53-A55 PolarHBondContact O-N 2.77Å; A55-H57 PolarHBondContact O-N 2.81Å
56	F	97.1	Very high	95.7	Very high	93 Å²	93	56.7 Å²	56.7	41%	0.408	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	25.6	169.9	-58.8	-84.2	0	0	0	113.3	P32 E52 A53 R54 V58 C70 C71 E73	P32-F56 HydrophobicContact CB-CD2 4.32Å; P32-F56 HydrophobicContact CB-CE2 4.44Å; P32-F56 HydrophobicContact CG-CE2 4.48Å; E52-F56 VanDerWaalsContact O-CD2 3.28Å; E52-F56 WeakPolarHBondContact O-CD2 3.47Å; A53-F56 CarbonylContact O-C 3.53Å; A53-F56 PolarHBondContact O-N 3.46Å; R54-F56 PolarHBondContact O-N 3.39Å; F56-V58 PolarHBondContact O-N 2.57Å; F56-C70 WeakPolarHBondContact O-CB 3.16Å; F56-C71 HydrophobicContact CB-CB 3.69Å; F56-C71 HydrophobicContact CD1-CB 4.46Å; F56-C71 HydrophobicContact CD2-CB 4.39Å; F56-C71 HydrophobicContact CG-CB 3.95Å; F56-E73 WeakPolarHBondContact CZ-OE1 3.44Å
57	H	95.2	Very high	95.6	Very high	134 Å²	134	56.6 Å²	56.6	62%	0.62	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	11.6	178.4	-55.5	86.7	0	0	0	116.3	R54 A55 K59 M62	R54-H57 WeakPolarHBondContact O-CA 3.38Å; R54-H57 PolarHBondContact O-N 2.85Å; A55-H57 PolarHBondContact O-N 2.81Å; H57-K59 WeakPolarHBondContact O-CG 3.46Å; H57-K59 PolarHBondContact O-N 3.12Å; H57-M62 WeakPolarHBondContact O-CE 3.39Å
58	V	96.9	Very high	95.7	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	28%	0.283	C	S	.	.			trans	-65.2	129.7	177.1	-179.2	0	0	0	0	109.9	I46 V49 A53 F56 M62 A67 C70 C71 L74	I46-V58 HydrophobicContact CD1-CG1 3.92Å; V49-V58 HydrophobicContact CG1-CB 4.01Å; V49-V58 HydrophobicContact CG1-CG1 3.83Å; V49-V58 HydrophobicContact CG2-CG1 4.2Å; A53-V58 HydrophobicContact CB-CB 4.24Å; A53-V58 HydrophobicContact CB-CG2 4.42Å; A53-V58 VanDerWaalsContact O-CB 3.26Å; A53-V58 WeakPolarHBondContact O-CB 3.34Å; A53-V58 WeakPolarHBondContact O-CG2 3.37Å; A53-V58 PolarHBondContact O-N 3.24Å; F56-V58 PolarHBondContact O-N 2.57Å; V58-M62 HydrophobicContact CG1-SD 4.33Å; V58-A67 HydrophobicContact CG1-CB 3.72Å; V58-A67 HydrophobicContact CG2-CB 4.22Å; V58-C70 HydrophobicContact CG2-CB 4.28Å; V58-C71 HydrophobicContact CG2-CB 4.21Å; V58-L74 HydrophobicContact CG1-CD2 4.34Å; V58-L74 HydrophobicContact CG2-CD2 4.27Å
59	K	95.8	Very high	95.6	Very high	129 Å²	129	60.9 Å²	60.9	56%	0.561	31%	0.311	S	S	*	.			trans	-126.7	145.9	-172.4	-72.3	159.8	-168.3	173.4	0	111.9	H57 G61 M62	H57-K59 WeakPolarHBondContact O-CG 3.46Å; H57-K59 PolarHBondContact O-N 3.12Å; K59-G61 PolarHBondContact O-N 2.92Å; K59-M62 HydrophobicContact CB-CE 4.2Å; K59-M62 HydrophobicContact CB-CG 4.26Å; K59-M62 HydrophobicContact CB-SD 4.22Å; K59-M62 HydrophobicContact CD-CE 4.36Å; K59-M62 PolarHBondContact N-SD 2.94Å; K59-M62 VanDerWaalsContact O-CB 3.27Å; K59-M62 WeakPolarHBondContact O-CB 3.29Å; K59-M62 WeakPolarHBondContact O-CG 3.38Å; K59-M62 PolarHBondContact O-N 3.16Å; K59-M62 VanDerWaalsContact O-N 3.14Å
60	R	93.7	Very high	95.5	Very high	195 Å²	195	63.1 Å²	63.1	74%	0.736	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	135.6	170.2	-176.5	175.7	-175.8	-109.2	5	110	I47	I47-R60 VanDerWaalsContact O-CD 3.24Å; I47-R60 WeakPolarHBondContact O-CD 3.42Å; I47-R60 WeakPolarHBondContact O-CG 3.32Å; I47-R60 PolarHBondContact O-NE 3.15Å
61	G	90.8	Very high	95.5	Very high	59 Å²	59	63.1 Å²	63.1	61%	0.608	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-13.1	-174.8	0	0	0	0	0	115.1	I46 K59	I46-G61 PolarHBondContact O-N 3.33Å; K59-G61 PolarHBondContact O-N 2.92Å
62	M	94.6	Very high	95.5	Very high	39 Å²	39	65.7 Å²	65.7	19%	0.192	35%	0.349	C	S	.	.			trans	-61.8	157.7	165.8	-73.8	179.7	165.7	0	0	111.5	I46 H57 V58 K59 A67	I46-M62 WeakPolarHBondContact CB-O 3.45Å; I46-M62 HydrophobicContact CD1-CB 4.27Å; I46-M62 PolarHBondContact N-O 2.81Å; H57-M62 WeakPolarHBondContact O-CE 3.39Å; V58-M62 HydrophobicContact CG1-SD 4.33Å; K59-M62 HydrophobicContact CB-CE 4.2Å; K59-M62 HydrophobicContact CB-CG 4.26Å; K59-M62 HydrophobicContact CB-SD 4.22Å; K59-M62 HydrophobicContact CD-CE 4.36Å; K59-M62 PolarHBondContact N-SD 2.94Å; K59-M62 VanDerWaalsContact O-CB 3.27Å; K59-M62 WeakPolarHBondContact O-CB 3.29Å; K59-M62 WeakPolarHBondContact O-CG 3.38Å; K59-M62 PolarHBondContact O-N 3.16Å; K59-M62 VanDerWaalsContact O-N 3.14Å; M62-A67 HydrophobicContact SD-CB 4.38Å
63	R	94.2	Very high	95.5	Very high	67 Å²	67	67.2 Å²	67.2	25%	0.253	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-85.3	154.9	165.3	-60.7	-61.9	167.2	172.6	-4	111.2	N39 W41 R42 G44 D65 Q66 A67	N39-R63 PolarHBondContact OD1-NH1 3.22Å; W41-R63 HydrophobicContact CE3-CG 4.28Å; W41-R63 HydrophobicContact CZ3-CG 3.8Å; R42-R63 HydrophobicContact CB-CB 3.81Å; R42-R63 HydrophobicContact CB-CG 4.06Å; R42-R63 WeakPolarHBondContact O-CB 3.44Å; G44-R63 WeakPolarHBondContact O-CD 3.41Å; G44-R63 PolarHBondContact O-NH1 3.24Å; R63-D65 VanDerWaalsContact CB-OD1 3.28Å; R63-D65 WeakPolarHBondContact CB-OD1 3.2Å; R63-D65 PolarHBondContact O-N 2.65Å; R63-Q66 HydrophobicContact CB-CG 4.13Å; R63-Q66 PolarHBondContact O-N 3.27Å; R63-A67 PolarHBondContact O-N 2.93Å
64	G	93.2	Very high	95.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-33.5	-174.6	0	0	0	0	0	112.4	R42 L68	R42-G64 PolarHBondContact O-N 3.19Å; G64-L68 WeakPolarHBondContact O-CB 3.36Å; G64-L68 WeakPolarHBondContact O-CD1 3.39Å; G64-L68 VanDerWaalsContact O-CG 3.24Å; G64-L68 WeakPolarHBondContact O-CG 3.07Å; G64-L68 PolarHBondContact O-N 3.3Å
65	D	93.4	Very high	95.5	Very high	51 Å²	51	66.5 Å²	66.5	27%	0.273	36%	0.358	S	S	.	.	H	α-helix	trans	-70.8	-39.8	174.5	71.2	-29.2	0	0	0	113	R42 R63 A67 L68 A69	R42-D65 WeakPolarHBondContact CB-OD1 3.44Å; R42-D65 IonicContact CZ-OD1 2.65Å; R42-D65 IonicContact CZ-OD2 3.57Å; R42-D65 VanDerWaalsContact NE-CG 3.31Å; R42-D65 IonicContact NE-OD1 3.92Å; R42-D65 PolarHBondContact NE-OD1 3.43Å; R42-D65 VanDerWaalsContact NE-OD1 3.08Å; R42-D65 IonicContact NE-OD2 3.76Å; R42-D65 PolarHBondContact NE-OD2 2.83Å; R42-D65 IonicContact NH2-OD1 3.69Å; R42-D65 PolarHBondContact NH2-OD1 3.06Å; R42-D65 IonicContact NH2-OD2 2.69Å; R42-D65 PolarHBondContact NH2-OD2 3.18Å; R42-D65 PolarHBondContact O-N 2.73Å; R63-D65 VanDerWaalsContact CB-OD1 3.28Å; R63-D65 WeakPolarHBondContact CB-OD1 3.2Å; R63-D65 PolarHBondContact O-N 2.65Å; D65-A67 VanDerWaalsContact C-N 3.29Å; D65-A67 PolarHBondContact O-N 3.37Å; D65-L68 PolarHBondContact O-N 2.97Å; D65-A69 PolarHBondContact O-N 3.46Å
66	Q	95.2	Very high	95.5	Very high	81 Å²	81	65.4 Å²	65.4	38%	0.379	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-39.8	173.6	-63	179	-69.5	0	0	111.3	R63 A69 C70	R63-Q66 HydrophobicContact CB-CG 4.13Å; R63-Q66 PolarHBondContact O-N 3.27Å; Q66-A69 PolarHBondContact O-N 3.04Å; Q66-C70 PolarHBondContact O-N 3.14Å; Q66-C70 PolarHBondContact O-SG 3.47Å; Q66-C70 VanDerWaalsContact O-SG 3.36Å
67	A	95.5	Very high	95.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-74	-36.8	178.7	0	0	0	0	0	112.8	I46 V58 M62 R63 D65 A69 C70 C71 L74	I46-A67 HydrophobicContact CD1-CB 3.31Å; V58-A67 HydrophobicContact CG1-CB 3.72Å; V58-A67 HydrophobicContact CG2-CB 4.22Å; M62-A67 HydrophobicContact SD-CB 4.38Å; R63-A67 PolarHBondContact O-N 2.93Å; D65-A67 VanDerWaalsContact C-N 3.29Å; D65-A67 PolarHBondContact O-N 3.37Å; A67-A69 VanDerWaalsContact C-N 3.26Å; A67-A69 PolarHBondContact O-N 3.45Å; A67-C70 PolarHBondContact O-N 2.97Å; A67-C70 VanDerWaalsContact O-N 3.08Å; A67-C71 PolarHBondContact O-N 3.11Å; A67-L74 HydrophobicContact CB-CD2 3.42Å; A67-L74 VanDerWaalsContact CB-CD2 3.42Å
68	L	96	Very high	95.4	Very high	52 Å²	52	59 Å²	59	27%	0.272	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-30.2	170.5	-76.6	163.5	0	0	0	112.4	G64 D65 C70 C71 P72 L74 L76	G64-L68 WeakPolarHBondContact O-CB 3.36Å; G64-L68 WeakPolarHBondContact O-CD1 3.39Å; G64-L68 VanDerWaalsContact O-CG 3.24Å; G64-L68 WeakPolarHBondContact O-CG 3.07Å; G64-L68 PolarHBondContact O-N 3.3Å; D65-L68 PolarHBondContact O-N 2.97Å; L68-C70 VanDerWaalsContact C-N 3.29Å; L68-C71 WeakPolarHBondContact CA-O 3.45Å; L68-C71 CarbonylContact O-C 3.54Å; L68-C71 VanDerWaalsContact O-C 3.25Å; L68-C71 PolarHBondContact O-N 3.32Å; L68-P72 WeakPolarHBondContact O-CA 3.32Å; L68-L74 HydrophobicContact CD2-CB 4.15Å; L68-L76 HydrophobicContact CD1-CD1 3.72Å; L68-L76 HydrophobicContact CG-CD1 4.07Å
69	A	96.5	Very high	95.3	Very high	86 Å²	86	58.9 Å²	58.9	71%	0.711	31%	0.312	S	S	*	.	H	α-helix	trans	-70.2	-24	171.6	0	0	0	0	0	113.1	D65 Q66 A67	D65-A69 PolarHBondContact O-N 3.46Å; Q66-A69 PolarHBondContact O-N 3.04Å; A67-A69 VanDerWaalsContact C-N 3.26Å; A67-A69 PolarHBondContact O-N 3.45Å
70	C	95.7	Very high	95.2	Very high	55 Å²	55	55.2 Å²	55.2	37%	0.372	30%	0.302	S	S	.	.	H	α-helix	trans	-86.8	-27.7	172.5	-59.4	0	0	0	0	113.2	F56 V58 Q66 A67 L68	F56-C70 WeakPolarHBondContact O-CB 3.16Å; V58-C70 HydrophobicContact CG2-CB 4.28Å; Q66-C70 PolarHBondContact O-N 3.14Å; Q66-C70 PolarHBondContact O-SG 3.47Å; Q66-C70 VanDerWaalsContact O-SG 3.36Å; A67-C70 PolarHBondContact O-N 2.97Å; A67-C70 VanDerWaalsContact O-N 3.08Å; L68-C70 VanDerWaalsContact C-N 3.29Å
71	C	96.9	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.289	C	S	.	.			trans	-150.5	91.2	-176	178.3	0	0	0	0	108.8	P32 F56 V58 A67 L68 E73 L74	P32-C71 VanDerWaalsContact CB-SG 3.59Å; F56-C71 HydrophobicContact CB-CB 3.69Å; F56-C71 HydrophobicContact CD1-CB 4.46Å; F56-C71 HydrophobicContact CD2-CB 4.39Å; F56-C71 HydrophobicContact CG-CB 3.95Å; V58-C71 HydrophobicContact CG2-CB 4.21Å; A67-C71 PolarHBondContact O-N 3.11Å; L68-C71 WeakPolarHBondContact CA-O 3.45Å; L68-C71 CarbonylContact O-C 3.54Å; L68-C71 VanDerWaalsContact O-C 3.25Å; L68-C71 PolarHBondContact O-N 3.32Å; C71-E73 PolarHBondContact O-N 2.98Å; C71-E73 PolarHBondContact SG-OE1 3.46Å; C71-L74 HydrophobicContact CB-CB 4.03Å; C71-L74 WeakPolarHBondContact O-CB 3.43Å; C71-L74 PolarHBondContact O-N 3.47Å
72	P	96.7	Very high	95.3	Very high	104 Å²	104	50.6 Å²	50.6	68%	0.675	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.3	-176.7	-27.7	37	0	0	0	114.3	L68 L74	L68-P72 WeakPolarHBondContact O-CA 3.32Å; P72-L74 VanDerWaalsContact C-N 3.32Å
73	E	96.8	Very high	95.2	Very high	89 Å²	89	51.5 Å²	51.5	42%	0.416	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	4.3	177.4	70.5	-73.3	171.8	0	0	114.5	P32 F56 C71 Q75	P32-E73 HydrophobicContact CG-CG 3.85Å; F56-E73 WeakPolarHBondContact CZ-OE1 3.44Å; C71-E73 PolarHBondContact O-N 2.98Å; C71-E73 PolarHBondContact SG-OE1 3.46Å; E73-Q75 PolarHBondContact O-N 3.28Å; E73-Q75 PolarHBondContact O-NE2 3.03Å
74	L	97.7	Very high	95	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.042	29%	0.291	C	S	.	.			trans	-60.1	121.6	-178.5	176.9	66.8	0	0	0	113	P32 A34 A53 V58 A67 L68 C71 P72 L76	P32-L74 HydrophobicContact CB-CD1 4.27Å; A34-L74 HydrophobicContact CB-CD1 4.01Å; A53-L74 HydrophobicContact CB-CD1 3.72Å; V58-L74 HydrophobicContact CG1-CD2 4.34Å; V58-L74 HydrophobicContact CG2-CD2 4.27Å; A67-L74 HydrophobicContact CB-CD2 3.42Å; A67-L74 VanDerWaalsContact CB-CD2 3.42Å; L68-L74 HydrophobicContact CD2-CB 4.15Å; C71-L74 HydrophobicContact CB-CB 4.03Å; C71-L74 WeakPolarHBondContact O-CB 3.43Å; C71-L74 PolarHBondContact O-N 3.47Å; P72-L74 VanDerWaalsContact C-N 3.32Å; L74-L76 HydrophobicContact CD2-CD2 3.58Å; L74-L76 HydrophobicContact CD2-CG 4.36Å; L74-L76 HydrophobicContact CG-CD2 3.9Å; L74-L76 HydrophobicContact CG-CG 4.39Å; L74-L76 PolarHBondContact O-N 3.48Å
75	Q	97.6	Very high	95	Very high	77 Å²	77	51.5 Å²	51.5	36%	0.36	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	100.7	174.2	-54	-56.9	-69.5	0	0	110.3	L28 K31 P32 T33 A34 E73 V77	L28-Q75 HydrophobicContact CD2-CB 3.87Å; L28-Q75 HydrophobicContact CD2-CG 3.91Å; K31-Q75 HydrophobicContact CB-CG 4.28Å; K31-Q75 HydrophobicContact CD-CG 4.37Å; P32-Q75 PolarHBondContact O-N 3.1Å; T33-Q75 WeakPolarHBondContact CA-O 3.47Å; T33-Q75 HydrophobicContact CG2-CB 4.27Å; A34-Q75 PolarHBondContact N-O 3.1Å; E73-Q75 PolarHBondContact O-N 3.28Å; E73-Q75 PolarHBondContact O-NE2 3.03Å; Q75-V77 PolarHBondContact O-N 3.24Å
76	L	95.7	Very high	95	Very high	52 Å²	52	50.2 Å²	50.2	27%	0.272	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105.3	174.1	-65	-177.1	0	0	0	110.8	A34 V36 N43 I46 L68 L74	A34-L76 HydrophobicContact CB-CD2 4.24Å; A34-L76 WeakPolarHBondContact O-CA 3.45Å; V36-L76 HydrophobicContact CG1-CD2 4.04Å; N43-L76 HydrophobicContact CB-CD1 4.27Å; I46-L76 HydrophobicContact CD1-CD2 4.34Å; L68-L76 HydrophobicContact CD1-CD1 3.72Å; L68-L76 HydrophobicContact CG-CD1 4.07Å; L74-L76 HydrophobicContact CD2-CD2 3.58Å; L74-L76 HydrophobicContact CD2-CG 4.36Å; L74-L76 HydrophobicContact CG-CD2 3.9Å; L74-L76 HydrophobicContact CG-CG 4.39Å; L74-L76 PolarHBondContact O-N 3.48Å
77	V	96	Very high	94.9	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.2	176.5	-169.8	0	0	0	0	110.2	E21 L28 T33 A34 V35 V36 Q75	E21-V77 HydrophobicContact CB-CB 4.5Å; E21-V77 HydrophobicContact CB-CG1 4.04Å; E21-V77 HydrophobicContact CB-CG2 4.46Å; E21-V77 HydrophobicContact CG-CB 4.23Å; E21-V77 HydrophobicContact CG-CG1 3.65Å; E21-V77 WeakPolarHBondContact OE2-CG1 3.27Å; L28-V77 HydrophobicContact CD1-CG2 3.61Å; T33-V77 HydrophobicContact CG2-CG2 3.91Å; A34-V77 PolarHBondContact O-N 3.31Å; V35-V77 CarbonylContact C-O 3.58Å; V35-V77 WeakPolarHBondContact CA-O 3.47Å; V35-V77 HydrophobicContact CG2-CB 4.49Å; V36-V77 PolarHBondContact N-O 2.79Å; Q75-V77 PolarHBondContact O-N 3.24Å
78	Q	94.4	Very high	94.9	Very high	88 Å²	88	49.2 Å²	49.2	41%	0.411	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.5	179.9	171.1	169.4	-30.6	0	0	112.1	V36	V36-Q78 HydrophobicContact CG2-CB 4.36Å
79	V	94.9	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-56.5	133	167.1	173.3	0	0	0	0	110.3	V35 V36 Q37 I47 A86 D87 L88 Y91	V35-V79 HydrophobicContact CG1-CG2 3.47Å; V35-V79 VanDerWaalsContact CG1-CG2 3.47Å; V36-V79 WeakPolarHBondContact O-CG2 3.38Å; V36-V79 PolarHBondContact O-N 3Å; Q37-V79 HydrophobicContact CG-CB 4.39Å; Q37-V79 HydrophobicContact CG-CG2 4Å; I47-V79 HydrophobicContact CD1-CG2 3.88Å; V79-A86 HydrophobicContact CG1-CB 3.87Å; V79-D87 WeakPolarHBondContact CG1-O 3.48Å; V79-L88 HydrophobicContact CG1-CD2 3.79Å; V79-Y91 HydrophobicContact CG1-CE2 4.18Å; V79-Y91 HydrophobicContact CG2-CE2 4.17Å
80	P	93.6	Very high	94.7	Very high	52 Å²	52	45.7 Å²	45.7	34%	0.338	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-51.2	147.2	177	-29.2	36.3	0	0	0	113.6	A86 D87	P80-A86 WeakPolarHBondContact O-CA 3.26Å; P80-D87 PolarHBondContact O-N 3.24Å
81	V	93.1	Very high	94.8	Very high	77 Å²	77	43 Å²	43	47%	0.467	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.7	179.3	177.8	0	0	0	0	109.7	K85	V81-K85 WeakPolarHBondContact CA-O 3.44Å
82	Q	93.1	Very high	94.7	Very high	80 Å²	80	45.8 Å²	45.8	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144	176.5	-156.1	-160.5	27.7	0	0	107.8	G84 K85 D87	Q82-G84 PolarHBondContact O-N 2.71Å; Q82-G84 VanDerWaalsContact O-N 3.09Å; Q82-K85 PolarHBondContact N-O 2.77Å; Q82-K85 WeakPolarHBondContact O-CG 3.25Å; Q82-K85 PolarHBondContact O-N 2.98Å; Q82-D87 HydrophobicContact CB-CB 4.05Å
83	R	93.4	Very high	94.5	Very high	59 Å²	59	46 Å²	46	22%	0.223	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	37.7	179.2	-56.9	177.8	179.4	104.5	-12.1	113.2	K85 L342 E345 E349	R83-K85 PolarHBondContact O-N 2.85Å; R83-L342 HydrophobicContact CB-CB 4.26Å; R83-L342 HydrophobicContact CB-CD2 4.12Å; R83-L342 WeakPolarHBondContact CD-O 3.19Å; R83-L342 HydrophobicContact CG-CD2 4.49Å; R83-E345 VanDerWaalsContact NE-CB 3.33Å; R83-E345 IonicContact NE-OE2 2.77Å; R83-E345 PolarHBondContact NH2-O 3.4Å; R83-E349 IonicContact CZ-OE2 2.99Å; R83-E349 VanDerWaalsContact CZ-OE2 3.25Å; R83-E349 IonicContact NH1-OE2 3.45Å; R83-E349 PolarHBondContact NH1-OE2 3.29Å; R83-E349 IonicContact NH2-OE2 2.66Å; R83-E349 PolarHBondContact NH2-OE2 2.81Å
84	G	90.5	Very high	94.5	Very high	49 Å²	49	41.8 Å²	41.8	51%	0.505	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	8.3	-179.6	0	0	0	0	0	116.3	Q82 W339	Q82-G84 PolarHBondContact O-N 2.71Å; Q82-G84 VanDerWaalsContact O-N 3.09Å; G84-W339 WeakPolarHBondContact O-CH2 3.49Å
85	K	92.2	Very high	94.4	Very high	18 Å²	18	41.4 Å²	41.4	8%	0.078	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	164.8	-179	60	174.8	-65.8	-63.5	0	111.8	V81 Q82 R83 D87 S321 K322 L343 E346	V81-K85 WeakPolarHBondContact CA-O 3.44Å; Q82-K85 PolarHBondContact N-O 2.77Å; Q82-K85 WeakPolarHBondContact O-CG 3.25Å; Q82-K85 PolarHBondContact O-N 2.98Å; R83-K85 PolarHBondContact O-N 2.85Å; K85-D87 PolarHBondContact O-N 2.83Å; K85-S321 WeakPolarHBondContact CE-O 3.2Å; K85-K322 HydrophobicContact CB-CD 4Å; K85-L343 HydrophobicContact CD-CD2 3.84Å; K85-E346 WeakPolarHBondContact CD-OE2 3.3Å; K85-E346 WeakPolarHBondContact CE-OE2 3.06Å; K85-E346 IonicContact NZ-OE1 2.71Å; K85-E346 IonicContact NZ-OE2 2.66Å; K85-E346 PolarHBondContact NZ-OE2 2.86Å
86	A	93	Very high	94.2	Very high	23 Å²	23	40.3 Å²	40.3	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	126.7	170.3	0	0	0	0	0	110.1	Q37 V79 P80	Q37-A86 HydrophobicContact CG-CB 4.19Å; V79-A86 HydrophobicContact CG1-CB 3.87Å; P80-A86 WeakPolarHBondContact O-CA 3.26Å
87	D	94.3	Very high	94.2	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.134	22%	0.219	C	C	.	.			trans	-95.4	140.5	164.7	177	41.8	0	0	0	109.9	V79 P80 Q82 K85 T89 R92	V79-D87 WeakPolarHBondContact CG1-O 3.48Å; P80-D87 PolarHBondContact O-N 3.24Å; Q82-D87 HydrophobicContact CB-CB 4.05Å; K85-D87 PolarHBondContact O-N 2.83Å; D87-T89 WeakPolarHBondContact OD1-CB 3.15Å; D87-T89 PolarHBondContact OD1-N 2.55Å; D87-T89 PolarHBondContact OD1-OG1 3.38Å; D87-T89 WeakPolarHBondContact OD2-CB 3.49Å; D87-T89 PolarHBondContact OD2-N 2.97Å; D87-T89 PolarHBondContact OD2-OG1 2.95Å; D87-R92 IonicContact OD1-NH1 3.35Å; D87-R92 PolarHBondContact OD1-NH1 2.9Å
88	L	94.9	Very high	94.2	Very high	36 Å²	36	41 Å²	41	19%	0.188	22%	0.22	C	C	.	.			trans	-117.8	11.6	-178.1	-56.6	178.8	0	0	0	111.9	Y17 V79 K90 Y91 R92	Y17-L88 HydrophobicContact CE2-CD2 4.04Å; V79-L88 HydrophobicContact CG1-CD2 3.79Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.44Å; L88-Y91 HydrophobicContact CB-CD2 4.13Å; L88-Y91 HydrophobicContact CD2-CD2 3.88Å; L88-Y91 HydrophobicContact CD2-CE2 3.95Å; L88-Y91 PolarHBondContact O-N 3.43Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 3.16Å
89	T	94	Very high	94.1	Very high	27 Å²	27	37.1 Å²	37.1	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-40	-171.5	-61.1	0	0	0	0	112.6	D87 Y91 R92 Q93	D87-T89 WeakPolarHBondContact OD1-CB 3.15Å; D87-T89 PolarHBondContact OD1-N 2.55Å; D87-T89 PolarHBondContact OD1-OG1 3.38Å; D87-T89 WeakPolarHBondContact OD2-CB 3.49Å; D87-T89 PolarHBondContact OD2-N 2.97Å; D87-T89 PolarHBondContact OD2-OG1 2.95Å; T89-Y91 PolarHBondContact O-N 3.36Å; T89-R92 CarbonylContact O-C 3.58Å; T89-R92 WeakPolarHBondContact O-CB 3.4Å; T89-R92 PolarHBondContact O-N 3.15Å; T89-R92 VanDerWaalsContact O-N 3.09Å; T89-R92 PolarHBondContact OG1-NH1 3.04Å; T89-Q93 HydrophobicContact CG2-CG 4.35Å; T89-Q93 WeakPolarHBondContact O-CG 3.3Å; T89-Q93 PolarHBondContact O-N 2.96Å; T89-Q93 PolarHBondContact O-OE1 3.08Å
90	K	95.1	Very high	94	Very high	36 Å²	36	39.4 Å²	39.4	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-49.4	-54.7	171	-172.9	-163.1	-63.9	-167.4	0	112.5	V20 E21 E24 L88 R92 Q93 A94	V20-K90 HydrophobicContact CG1-CD 3.58Å; V20-K90 HydrophobicContact CG1-CG 3.75Å; E21-K90 WeakPolarHBondContact OE1-CD 3.46Å; E21-K90 IonicContact OE1-NZ 3.91Å; E21-K90 PolarHBondContact OE1-NZ 2.77Å; E21-K90 IonicContact OE2-NZ 3.19Å; E21-K90 PolarHBondContact OE2-NZ 2.86Å; E24-K90 VanDerWaalsContact CD-NZ 3.32Å; E24-K90 WeakPolarHBondContact OE1-CD 3.14Å; E24-K90 WeakPolarHBondContact OE1-CE 3.38Å; E24-K90 WeakPolarHBondContact OE1-CG 3.44Å; E24-K90 IonicContact OE1-NZ 2.91Å; E24-K90 PolarHBondContact OE1-NZ 2.88Å; E24-K90 VanDerWaalsContact OE2-CE 3.25Å; E24-K90 WeakPolarHBondContact OE2-CE 3.3Å; E24-K90 IonicContact OE2-NZ 2.84Å; E24-K90 PolarHBondContact OE2-NZ 3.33Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.44Å; K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 3.19Å; K90-Q93 PolarHBondContact O-N 3.25Å; K90-A94 PolarHBondContact O-N 2.79Å
91	Y	97	Very high	94.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.8	-28.3	-179.1	-40.7	-67.7	0	0	0	112.6	Y17 V20 E21 V79 L88 T89 S95	Y17-Y91 AromaticContact CD1-CD1 3.86Å; Y17-Y91 HydrophobicContact CD1-CD1 3.86Å; Y17-Y91 AromaticContact CD1-CG 3.81Å; Y17-Y91 HydrophobicContact CD1-CG 3.81Å; Y17-Y91 AromaticContact CD2-CD1 3.73Å; Y17-Y91 HydrophobicContact CD2-CD1 3.73Å; Y17-Y91 AromaticContact CD2-CD2 3.58Å; Y17-Y91 HydrophobicContact CD2-CD2 3.58Å; Y17-Y91 AromaticContact CD2-CE1 3.88Å; Y17-Y91 HydrophobicContact CD2-CE1 3.88Å; Y17-Y91 AromaticContact CD2-CE2 3.72Å; Y17-Y91 HydrophobicContact CD2-CE2 3.72Å; Y17-Y91 AromaticContact CD2-CG 3.6Å; Y17-Y91 HydrophobicContact CD2-CG 3.6Å; Y17-Y91 AromaticContact CD2-CZ 3.89Å; Y17-Y91 VanDerWaalsContact CE1-CB 3.49Å; Y17-Y91 HydrophobicContact CE1-CD1 4.33Å; Y17-Y91 HydrophobicContact CE1-CD2 4.33Å; Y17-Y91 AromaticContact CE1-CG 3.8Å; Y17-Y91 HydrophobicContact CE1-CG 3.8Å; Y17-Y91 HydrophobicContact CE2-CD1 4.22Å; Y17-Y91 AromaticContact CE2-CD2 3.34Å; Y17-Y91 HydrophobicContact CE2-CD2 3.34Å; Y17-Y91 AromaticContact CE2-CE2 3.78Å; Y17-Y91 HydrophobicContact CE2-CE2 3.78Å; Y17-Y91 AromaticContact CE2-CG 3.6Å; Y17-Y91 HydrophobicContact CE2-CG 3.6Å; Y17-Y91 AromaticContact CG-CD1 3.54Å; Y17-Y91 HydrophobicContact CG-CD1 3.54Å; Y17-Y91 HydrophobicContact CG-CD2 4.2Å; Y17-Y91 AromaticContact CG-CE1 3.92Å; Y17-Y91 HydrophobicContact CG-CE1 3.92Å; Y17-Y91 AromaticContact CG-CG 3.72Å; Y17-Y91 HydrophobicContact CG-CG 3.72Å; Y17-Y91 AromaticContact CZ-CD2 3.75Å; Y17-Y91 AromaticContact CZ-CG 3.69Å; V20-Y91 HydrophobicContact CB-CD1 3.85Å; V20-Y91 HydrophobicContact CB-CE1 4.17Å; V20-Y91 HydrophobicContact CG1-CD1 3.69Å; V20-Y91 HydrophobicContact CG1-CE1 4Å; V20-Y91 HydrophobicContact CG2-CD1 4.18Å; E21-Y91 HydrophobicContact CG-CE1 4.37Å; E21-Y91 VanDerWaalsContact OE1-CE1 3.26Å; E21-Y91 WeakPolarHBondContact OE1-CE1 3.39Å; E21-Y91 VanDerWaalsContact OE1-CZ 3.29Å; E21-Y91 PolarHBondContact OE1-OH 3.27Å; V79-Y91 HydrophobicContact CG1-CE2 4.18Å; V79-Y91 HydrophobicContact CG2-CE2 4.17Å; L88-Y91 HydrophobicContact CB-CD2 4.13Å; L88-Y91 HydrophobicContact CD2-CD2 3.88Å; L88-Y91 HydrophobicContact CD2-CE2 3.95Å; L88-Y91 PolarHBondContact O-N 3.43Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; T89-Y91 PolarHBondContact O-N 3.36Å; Y91-S95 VanDerWaalsContact O-CB 3.27Å; Y91-S95 WeakPolarHBondContact O-CB 3.49Å; Y91-S95 PolarHBondContact O-N 3.14Å
92	R	94.3	Very high	94.2	Very high	58 Å²	58	34.2 Å²	34.2	22%	0.219	18%	0.182	C	C	.	.	H	α-helix	trans	-69.9	-36.3	172.5	-62.9	170.4	-165.8	134.3	-10.7	111.7	D87 L88 T89 K90 S95 V96 I114 E346 R350	D87-R92 IonicContact OD1-NH1 3.35Å; D87-R92 PolarHBondContact OD1-NH1 2.9Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 3.16Å; T89-R92 CarbonylContact O-C 3.58Å; T89-R92 WeakPolarHBondContact O-CB 3.4Å; T89-R92 PolarHBondContact O-N 3.15Å; T89-R92 VanDerWaalsContact O-N 3.09Å; T89-R92 PolarHBondContact OG1-NH1 3.04Å; K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 3.19Å; R92-S95 WeakPolarHBondContact O-CB 3.32Å; R92-S95 PolarHBondContact O-N 2.99Å; R92-V96 WeakPolarHBondContact O-CG2 3.37Å; R92-V96 PolarHBondContact O-N 2.95Å; R92-V96 VanDerWaalsContact O-N 3.12Å; R92-I114 HydrophobicContact CG-CD1 4.15Å; R92-E346 IonicContact CZ-OE1 2.72Å; R92-E346 IonicContact NH1-OE1 2.73Å; R92-E346 IonicContact NH2-OE1 3.87Å; R92-E346 PolarHBondContact NH2-OE1 2.82Å; R92-R350 VanDerWaalsContact NH2-NH1 3.14Å
93	Q	93.6	Very high	94	Very high	109 Å²	109	32.7 Å²	32.7	51%	0.509	18%	0.18	S	C	.	.	H	α-helix	trans	-69.7	-49.9	175.5	-70.8	167.6	-61.4	0	0	110.7	T89 K90 S95 V96 E97	T89-Q93 HydrophobicContact CG2-CG 4.35Å; T89-Q93 WeakPolarHBondContact O-CG 3.3Å; T89-Q93 PolarHBondContact O-N 2.96Å; T89-Q93 PolarHBondContact O-OE1 3.08Å; K90-Q93 PolarHBondContact O-N 3.25Å; Q93-S95 PolarHBondContact O-N 3.23Å; Q93-S95 VanDerWaalsContact O-N 3.13Å; Q93-V96 WeakPolarHBondContact O-CA 3.41Å; Q93-V96 WeakPolarHBondContact O-CB 3.34Å; Q93-V96 PolarHBondContact O-N 2.93Å; Q93-E97 PolarHBondContact O-N 3.38Å
94	A	96.4	Very high	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-53.5	-33.8	171.6	0	0	0	0	0	113.1	F16 V20 K90 E97 V98 F208	F16-A94 HydrophobicContact CE2-CB 4.23Å; F16-A94 HydrophobicContact CZ-CB 3.73Å; V20-A94 HydrophobicContact CG1-CB 4.12Å; V20-A94 HydrophobicContact CG2-CB 3.6Å; K90-A94 PolarHBondContact O-N 2.79Å; A94-E97 WeakPolarHBondContact CA-OE1 3.25Å; A94-V98 PolarHBondContact O-N 3.23Å; A94-F208 HydrophobicContact CB-CE2 3.71Å; A94-F208 HydrophobicContact CB-CZ 3.78Å
95	S	95.8	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.9	-42.1	173.9	-176.2	0	0	0	0	112.2	Y91 R92 Q93 E97 V98 F99 R111 I114	Y91-S95 VanDerWaalsContact O-CB 3.27Å; Y91-S95 WeakPolarHBondContact O-CB 3.49Å; Y91-S95 PolarHBondContact O-N 3.14Å; R92-S95 WeakPolarHBondContact O-CB 3.32Å; R92-S95 PolarHBondContact O-N 2.99Å; Q93-S95 PolarHBondContact O-N 3.23Å; Q93-S95 VanDerWaalsContact O-N 3.13Å; S95-E97 VanDerWaalsContact C-N 3.33Å; S95-E97 PolarHBondContact O-N 2.91Å; S95-V98 PolarHBondContact O-N 3.4Å; S95-F99 VanDerWaalsContact O-CD2 3.3Å; S95-F99 WeakPolarHBondContact O-CD2 3.47Å; S95-F99 PolarHBondContact O-N 3Å; S95-R111 PolarHBondContact OG-NH2 2.79Å; S95-I114 VanDerWaalsContact CB-O 3.24Å; S95-I114 WeakPolarHBondContact CB-O 3.36Å; S95-I114 PolarHBondContact OG-O 3.38Å
96	V	92.8	Very high	93.9	Very high	53 Å²	53	40.2 Å²	40.2	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-43.1	174.7	171	0	0	0	0	110.8	R92 Q93 V98 F99 D100	R92-V96 WeakPolarHBondContact O-CG2 3.37Å; R92-V96 PolarHBondContact O-N 2.95Å; R92-V96 VanDerWaalsContact O-N 3.12Å; Q93-V96 WeakPolarHBondContact O-CA 3.41Å; Q93-V96 WeakPolarHBondContact O-CB 3.34Å; Q93-V96 PolarHBondContact O-N 2.93Å; V96-V98 VanDerWaalsContact C-N 3.33Å; V96-V98 PolarHBondContact O-N 3.36Å; V96-F99 CarbonylContact O-C 3.58Å; V96-F99 PolarHBondContact O-N 3.08Å; V96-F99 VanDerWaalsContact O-N 3.12Å; V96-D100 WeakPolarHBondContact CG1-OD2 3.43Å; V96-D100 WeakPolarHBondContact O-CB 3.46Å; V96-D100 PolarHBondContact O-N 3.25Å
97	E	95.2	Very high	93.9	Very high	65 Å²	65	40.7 Å²	40.7	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-54.3	-46.5	176.3	-61.9	171.3	-122.2	0	0	112.5	R23 Q93 A94 S95 D100 V101 T206	R23-E97 IonicContact CZ-OE1 3.63Å; R23-E97 IonicContact CZ-OE2 3.95Å; R23-E97 IonicContact NH1-OE1 3.34Å; R23-E97 IonicContact NH1-OE2 2.71Å; R23-E97 PolarHBondContact NH1-OE2 3.5Å; R23-E97 IonicContact NH2-OE1 3.08Å; R23-E97 PolarHBondContact NH2-OE1 3.14Å; R23-E97 IonicContact NH2-OE2 3.13Å; R23-E97 PolarHBondContact NH2-OE2 3.15Å; Q93-E97 PolarHBondContact O-N 3.38Å; A94-E97 WeakPolarHBondContact CA-OE1 3.25Å; S95-E97 VanDerWaalsContact C-N 3.33Å; S95-E97 PolarHBondContact O-N 2.91Å; E97-D100 PolarHBondContact O-N 3.08Å; E97-V101 WeakPolarHBondContact O-CG2 3.44Å; E97-V101 PolarHBondContact O-N 3.37Å; E97-T206 HydrophobicContact CB-CG2 3.93Å
98	V	96.1	Very high	94	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-42.8	176.5	176.1	0	0	0	0	111.7	M13 A94 S95 V96 D100 V101 L102 I202 T206 F208	M13-V98 HydrophobicContact CE-CG2 4Å; M13-V98 HydrophobicContact CG-CG1 4.34Å; M13-V98 HydrophobicContact CG-CG2 4.47Å; M13-V98 HydrophobicContact SD-CG1 3.74Å; M13-V98 HydrophobicContact SD-CG2 4.16Å; A94-V98 PolarHBondContact O-N 3.23Å; S95-V98 PolarHBondContact O-N 3.4Å; V96-V98 VanDerWaalsContact C-N 3.33Å; V96-V98 PolarHBondContact O-N 3.36Å; V98-D100 VanDerWaalsContact C-N 3.29Å; V98-D100 PolarHBondContact O-N 3.27Å; V98-V101 PolarHBondContact O-N 3.49Å; V98-L102 HydrophobicContact CG1-CD1 4.29Å; V98-L102 WeakPolarHBondContact O-CG 3.39Å; V98-L102 PolarHBondContact O-N 2.88Å; V98-L102 VanDerWaalsContact O-N 3.08Å; V98-I202 HydrophobicContact CG1-CD1 4.28Å; V98-I202 HydrophobicContact CG1-CG1 4.47Å; V98-I202 HydrophobicContact CG1-CG2 4.21Å; V98-I202 HydrophobicContact CG2-CG2 4.19Å; V98-T206 HydrophobicContact CG2-CG2 4.19Å; V98-F208 HydrophobicContact CG2-CD2 3.87Å
99	F	93.8	Very high	94.1	Very high	5 Å²	5	41 Å²	41	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-69.9	-25.7	179.8	-88.7	-73.8	0	0	0	113.4	S95 V96 S103 V109 R111 A117	S95-F99 VanDerWaalsContact O-CD2 3.3Å; S95-F99 WeakPolarHBondContact O-CD2 3.47Å; S95-F99 PolarHBondContact O-N 3Å; V96-F99 CarbonylContact O-C 3.58Å; V96-F99 PolarHBondContact O-N 3.08Å; V96-F99 VanDerWaalsContact O-N 3.12Å; F99-S103 VanDerWaalsContact O-CB 3.27Å; F99-S103 WeakPolarHBondContact O-CB 3.25Å; F99-S103 PolarHBondContact O-N 3.22Å; F99-S103 PolarHBondContact O-OG 2.83Å; F99-V109 HydrophobicContact CD1-CG1 4.22Å; F99-V109 HydrophobicContact CE1-CG1 4.13Å; F99-R111 HydrophobicContact CD1-CB 4.26Å; F99-R111 HydrophobicContact CD2-CG 4.41Å; F99-R111 HydrophobicContact CE1-CB 3.54Å; F99-R111 HydrophobicContact CE1-CG 3.83Å; F99-R111 HydrophobicContact CE2-CB 4.38Å; F99-R111 HydrophobicContact CE2-CG 3.72Å; F99-R111 HydrophobicContact CZ-CB 3.64Å; F99-R111 HydrophobicContact CZ-CG 3.4Å; F99-A117 HydrophobicContact CE1-CB 3.57Å; F99-A117 HydrophobicContact CZ-CB 3.69Å
100	D	92.4	Very high	94.2	Very high	48 Å²	48	40.3 Å²	40.3	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-76.6	-39	176.8	-71.6	-2.6	0	0	0	110.9	V96 E97 V98 S103 A104 R313	V96-D100 WeakPolarHBondContact CG1-OD2 3.43Å; V96-D100 WeakPolarHBondContact O-CB 3.46Å; V96-D100 PolarHBondContact O-N 3.25Å; E97-D100 PolarHBondContact O-N 3.08Å; V98-D100 VanDerWaalsContact C-N 3.29Å; V98-D100 PolarHBondContact O-N 3.27Å; D100-S103 PolarHBondContact O-N 2.85Å; D100-A104 PolarHBondContact O-N 3.07Å; D100-R313 IonicContact OD1-CZ 2.7Å; D100-R313 IonicContact OD1-NE 3.88Å; D100-R313 PolarHBondContact OD1-NE 3.14Å; D100-R313 IonicContact OD1-NH2 2.64Å; D100-R313 PolarHBondContact OD1-NH2 3.47Å; D100-R313 IonicContact OD2-NH2 3.31Å
101	V	95.1	Very high	94.2	Very high	19 Å²	19	40.7 Å²	40.7	12%	0.115	22%	0.223	C	C	.	.	H	α-helix	trans	-57.2	-49	167.5	174.8	0	0	0	0	110.9	E97 V98 S103 A104 I202 T205 T206	E97-V101 WeakPolarHBondContact O-CG2 3.44Å; E97-V101 PolarHBondContact O-N 3.37Å; V98-V101 PolarHBondContact O-N 3.49Å; V101-S103 PolarHBondContact O-N 2.79Å; V101-A104 PolarHBondContact O-N 2.71Å; V101-I202 HydrophobicContact CB-CG1 4.37Å; V101-I202 HydrophobicContact CG1-CG1 3.84Å; V101-T205 HydrophobicContact CG2-CG2 3.6Å; V101-T206 HydrophobicContact CG2-CG2 4.33Å
102	L	94.8	Very high	94.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-36.2	179.4	-72.9	174.4	0	0	0	112.9	V98 A104 L105 V109 A117 L119 I202	V98-L102 HydrophobicContact CG1-CD1 4.29Å; V98-L102 WeakPolarHBondContact O-CG 3.39Å; V98-L102 PolarHBondContact O-N 2.88Å; V98-L102 VanDerWaalsContact O-N 3.08Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 2.73Å; L102-L105 HydrophobicContact CD2-CD1 3.89Å; L102-L105 WeakPolarHBondContact O-CB 3.44Å; L102-L105 PolarHBondContact O-N 3.33Å; L102-V109 HydrophobicContact CB-CG1 4.26Å; L102-V109 HydrophobicContact CB-CG2 4.42Å; L102-A117 HydrophobicContact CD1-CB 3.67Å; L102-L119 HydrophobicContact CD1-CD2 4.42Å; L102-L119 HydrophobicContact CD2-CD1 4.07Å; L102-L119 HydrophobicContact CD2-CD2 3.99Å; L102-I202 HydrophobicContact CD2-CD1 3.96Å; L102-I202 HydrophobicContact CG-CD1 4.18Å
103	S	88.3	Confident	94.1	Very high	48 Å²	48	42 Å²	42	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-70.8	-21.4	-179.8	-59.4	0	0	0	0	113.1	F99 D100 V101 L105 R313	F99-S103 VanDerWaalsContact O-CB 3.27Å; F99-S103 WeakPolarHBondContact O-CB 3.25Å; F99-S103 PolarHBondContact O-N 3.22Å; F99-S103 PolarHBondContact O-OG 2.83Å; D100-S103 PolarHBondContact O-N 2.85Å; V101-S103 PolarHBondContact O-N 2.79Å; S103-L105 VanDerWaalsContact C-N 3.26Å; S103-L105 PolarHBondContact O-N 2.71Å; S103-R313 WeakPolarHBondContact OG-CD 3.31Å
104	A	92.4	Very high	94.1	Very high	83 Å²	83	38.8 Å²	38.8	69%	0.686	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.9	177.4	0	0	0	0	0	113.9	D100 V101 L102 N106	D100-A104 PolarHBondContact O-N 3.07Å; V101-A104 PolarHBondContact O-N 2.71Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 2.73Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 2.91Å
105	L	90.3	Very high	94.2	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.215	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	0.4	-170.7	-61.1	175.1	0	0	0	115.1	L102 S103 I107 F198	L102-L105 HydrophobicContact CD2-CD1 3.89Å; L102-L105 WeakPolarHBondContact O-CB 3.44Å; L102-L105 PolarHBondContact O-N 3.33Å; S103-L105 VanDerWaalsContact C-N 3.26Å; S103-L105 PolarHBondContact O-N 2.71Å; L105-I107 VanDerWaalsContact C-N 3.35Å; L105-I107 HydrophobicContact CB-CD1 3.77Å; L105-I107 HydrophobicContact CB-CG1 3.78Å; L105-I107 HydrophobicContact CD1-CD1 3.91Å; L105-I107 PolarHBondContact O-N 2.79Å; L105-F198 HydrophobicContact CD1-CB 4.01Å; L105-F198 HydrophobicContact CD1-CD1 3.46Å; L105-F198 VanDerWaalsContact CD1-CD1 3.46Å; L105-F198 HydrophobicContact CD1-CD2 3.97Å; L105-F198 HydrophobicContact CD1-CE1 3.85Å; L105-F198 HydrophobicContact CD1-CE2 4.31Å; L105-F198 HydrophobicContact CD1-CG 3.53Å; L105-F198 HydrophobicContact CD1-CZ 4.26Å; L105-F198 HydrophobicContact CD2-CD1 3.61Å; L105-F198 HydrophobicContact CD2-CE1 3.77Å; L105-F198 HydrophobicContact CD2-CG 4.5Å; L105-F198 HydrophobicContact CG-CD1 4.13Å; L105-F198 HydrophobicContact CG-CE1 4.25Å
106	N	91.3	Very high	94.3	Very high	160 Å²	160	42.6 Å²	42.6	86%	0.856	25%	0.249	S	C	*	.	S	Bend	trans	53.2	44.4	-177.5	-164.8	52	0	0	0	114.4	A104	A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 2.91Å
107	I	94.9	Very high	94.5	Very high	32 Å²	32	40.1 Å²	40.1	16%	0.164	24%	0.235	C	C	.	.	S	Bend	trans	-133.4	166.5	180	56.2	179.5	0	0	0	110.6	L105 V109 L119 L121 L124 F198	L105-I107 VanDerWaalsContact C-N 3.35Å; L105-I107 HydrophobicContact CB-CD1 3.77Å; L105-I107 HydrophobicContact CB-CG1 3.78Å; L105-I107 HydrophobicContact CD1-CD1 3.91Å; L105-I107 PolarHBondContact O-N 2.79Å; I107-V109 HydrophobicContact CG1-CG2 4.05Å; I107-V109 PolarHBondContact O-N 3.47Å; I107-L119 HydrophobicContact CD1-CB 4.2Å; I107-L119 HydrophobicContact CD1-CD1 4.21Å; I107-L119 HydrophobicContact CD1-CD2 4.26Å; I107-L119 HydrophobicContact CD1-CG 4.46Å; I107-L121 HydrophobicContact CB-CD2 4.36Å; I107-L121 HydrophobicContact CD1-CD2 3.53Å; I107-L121 HydrophobicContact CG2-CD2 4.09Å; I107-L124 HydrophobicContact CG2-CB 4.23Å; I107-L124 HydrophobicContact CG2-CD2 3.75Å; I107-F198 HydrophobicContact CD1-CE2 4.04Å; I107-F198 HydrophobicContact CD1-CZ 4.33Å
108	V	96.1	Very high	94.6	Very high	56 Å²	56	37.4 Å²	37.4	34%	0.339	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	110.1	177.1	-174.4	0	0	0	0	110	L119 D120 V309 A311	V108-L119 WeakPolarHBondContact O-CA 3.27Å; V108-D120 HydrophobicContact CB-CB 3.99Å; V108-D120 PolarHBondContact O-N 3.01Å; V108-V309 HydrophobicContact CG1-CB 4.43Å; V108-V309 HydrophobicContact CG1-CG1 4.09Å; V108-V309 WeakPolarHBondContact CG1-O 3.39Å; V108-A311 HydrophobicContact CG1-CB 4.13Å
109	V	96.5	Very high	94.7	Very high	11 Å²	11	37 Å²	37	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.8	178.8	-173.9	0	0	0	0	111.2	F99 L102 I107 A117 L119 A311 R312	F99-V109 HydrophobicContact CD1-CG1 4.22Å; F99-V109 HydrophobicContact CE1-CG1 4.13Å; L102-V109 HydrophobicContact CB-CG1 4.26Å; L102-V109 HydrophobicContact CB-CG2 4.42Å; I107-V109 HydrophobicContact CG1-CG2 4.05Å; I107-V109 PolarHBondContact O-N 3.47Å; V109-A117 HydrophobicContact CG1-CB 4.41Å; V109-L119 HydrophobicContact CB-CD2 4.31Å; V109-L119 HydrophobicContact CG1-CD2 3.95Å; V109-L119 HydrophobicContact CG2-CD2 3.91Å; V109-A311 WeakPolarHBondContact O-CA 3.38Å; V109-R312 PolarHBondContact O-N 2.87Å
110	E	96.3	Very high	94.9	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.8	170.8	-177	178	164.4	0	0	111.6	A112 A117 Y118 K218 V309 V310 R312	E110-A112 PolarHBondContact O-N 3.07Å; E110-A117 CarbonylContact O-C 3.49Å; E110-A117 WeakPolarHBondContact O-CA 3.27Å; E110-Y118 PolarHBondContact N-O 2.89Å; E110-Y118 PolarHBondContact O-N 3.2Å; E110-K218 VanDerWaalsContact CD-NZ 3.29Å; E110-K218 IonicContact OE1-NZ 3.92Å; E110-K218 PolarHBondContact OE1-NZ 2.95Å; E110-K218 WeakPolarHBondContact OE2-CE 3.3Å; E110-K218 IonicContact OE2-NZ 2.64Å; E110-K218 PolarHBondContact OE2-NZ 3.28Å; E110-V309 HydrophobicContact CB-CG1 3.61Å; E110-V309 WeakPolarHBondContact OE2-CA 3.26Å; E110-V310 VanDerWaalsContact CB-O 3.25Å; E110-V310 WeakPolarHBondContact CB-O 3.38Å; E110-V310 VanDerWaalsContact CG-O 3.3Å; E110-V310 WeakPolarHBondContact CG-O 3.42Å; E110-V310 PolarHBondContact OE2-N 2.7Å; E110-R312 HydrophobicContact CG-CB 4.36Å; E110-R312 VanDerWaalsContact CG-CZ 3.4Å; E110-R312 VanDerWaalsContact CG-NH2 3.29Å; E110-R312 IonicContact OE1-CZ 2.72Å; E110-R312 IonicContact OE1-NH1 3.21Å; E110-R312 PolarHBondContact OE1-NH1 3.07Å; E110-R312 IonicContact OE1-NH2 2.93Å; E110-R312 PolarHBondContact OE1-NH2 2.93Å
111	R	94.8	Very high	95.2	Very high	44 Å²	44	36 Å²	36	17%	0.166	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	113.6	169.5	-177.7	163.5	-170.5	175.9	9.4	111.4	S95 F99 S113 R312 R313	S95-R111 PolarHBondContact OG-NH2 2.79Å; F99-R111 HydrophobicContact CD1-CB 4.26Å; F99-R111 HydrophobicContact CD2-CG 4.41Å; F99-R111 HydrophobicContact CE1-CB 3.54Å; F99-R111 HydrophobicContact CE1-CG 3.83Å; F99-R111 HydrophobicContact CE2-CB 4.38Å; F99-R111 HydrophobicContact CE2-CG 3.72Å; F99-R111 HydrophobicContact CZ-CB 3.64Å; F99-R111 HydrophobicContact CZ-CG 3.4Å; R111-S113 WeakPolarHBondContact CG-O 3.49Å; R111-S113 PolarHBondContact NE-O 3.25Å; R111-S113 VanDerWaalsContact NE-O 3.1Å; R111-R312 WeakPolarHBondContact CB-O 3.25Å; R111-R312 PolarHBondContact N-O 2.97Å; R111-R312 PolarHBondContact O-NE 3.25Å; R111-R312 VanDerWaalsContact O-NE 3.16Å; R111-R312 PolarHBondContact O-NH2 3.41Å; R111-R313 WeakPolarHBondContact CD-O 3.3Å; R111-R313 PolarHBondContact NH1-O 2.87Å
112	A	94.4	Very high	95.3	Very high	43 Å²	43	36.2 Å²	36.2	36%	0.355	22%	0.216	S	C	.	.			trans	-89.3	-40.9	177.1	0	0	0	0	0	112.1	E110 E116 Y118	E110-A112 PolarHBondContact O-N 3.07Å; A112-E116 HydrophobicContact CB-CB 4.03Å; A112-E116 HydrophobicContact CB-CG 3.76Å; A112-E116 WeakPolarHBondContact CB-O 3.31Å; A112-E116 WeakPolarHBondContact CB-OE1 3.35Å; A112-E116 PolarHBondContact N-O 3.36Å; A112-Y118 HydrophobicContact CB-CD2 3.9Å; A112-Y118 HydrophobicContact CB-CE2 3.56Å
113	S	94.6	Very high	95.3	Very high	43 Å²	43	42 Å²	42	30%	0.301	25%	0.247	S	C	.	.	S	Bend	trans	-140.3	-149.4	-179	74.7	0	0	0	0	112.4	R111 D115 E116	R111-S113 WeakPolarHBondContact CG-O 3.49Å; R111-S113 PolarHBondContact NE-O 3.25Å; R111-S113 VanDerWaalsContact NE-O 3.1Å; S113-D115 WeakPolarHBondContact CB-OD1 3.41Å; S113-D115 PolarHBondContact OG-N 2.95Å; S113-D115 PolarHBondContact OG-OD1 3.48Å; S113-E116 PolarHBondContact N-O 2.93Å; S113-E116 WeakPolarHBondContact OG-CB 3.09Å; S113-E116 PolarHBondContact OG-N 2.97Å
114	I	94.8	Very high	95.7	Very high	41 Å²	41	42 Å²	42	21%	0.21	24%	0.242	C	C	.	.	S	Bend	trans	-86	-20.4	166.8	-162.4	167.9	0	0	0	112	F16 Y17 R92 S95	F16-I114 HydrophobicContact CD1-CG2 4.42Å; F16-I114 HydrophobicContact CE1-CG1 4.24Å; Y17-I114 HydrophobicContact CE1-CD1 4.16Å; Y17-I114 HydrophobicContact CE1-CG2 4.08Å; R92-I114 HydrophobicContact CG-CD1 4.15Å; S95-I114 VanDerWaalsContact CB-O 3.24Å; S95-I114 WeakPolarHBondContact CB-O 3.36Å; S95-I114 PolarHBondContact OG-O 3.38Å
115	D	97.5	Very high	95.9	Very high	52 Å²	52	38 Å²	38	28%	0.278	21%	0.21	S	C	.	.	S	Bend	trans	-129.5	-0.3	-170.1	40.8	6.8	0	0	0	113.9	D12 M13 F16 S113	D12-D115 CarbonylContact C-O 3.6Å; D12-D115 WeakPolarHBondContact CA-O 3.32Å; M13-D115 HydrophobicContact CB-CB 4.05Å; M13-D115 HydrophobicContact CG-CB 4.4Å; M13-D115 WeakPolarHBondContact CG-O 3.46Å; M13-D115 PolarHBondContact N-O 2.96Å; F16-D115 HydrophobicContact CB-CB 3.78Å; F16-D115 HydrophobicContact CD1-CB 3.76Å; F16-D115 HydrophobicContact CG-CB 3.86Å; S113-D115 WeakPolarHBondContact CB-OD1 3.41Å; S113-D115 PolarHBondContact OG-N 2.95Å; S113-D115 PolarHBondContact OG-OD1 3.48Å
116	E	97.6	Very high	96.1	Very high	28 Å²	28	37.9 Å²	37.9	13%	0.131	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.1	-173.6	-176	-173	133.2	0	0	112.4	L10 V11 A112 S113 Y118 K222	L10-E116 HydrophobicContact CD1-CG 3.95Å; L10-E116 HydrophobicContact CD2-CG 3.35Å; L10-E116 HydrophobicContact CG-CG 4.24Å; V11-E116 WeakPolarHBondContact O-CA 3.5Å; A112-E116 HydrophobicContact CB-CB 4.03Å; A112-E116 HydrophobicContact CB-CG 3.76Å; A112-E116 WeakPolarHBondContact CB-O 3.31Å; A112-E116 WeakPolarHBondContact CB-OE1 3.35Å; A112-E116 PolarHBondContact N-O 3.36Å; S113-E116 PolarHBondContact N-O 2.93Å; S113-E116 WeakPolarHBondContact OG-CB 3.09Å; S113-E116 PolarHBondContact OG-N 2.97Å; E116-Y118 VanDerWaalsContact OE1-CE2 3.27Å; E116-Y118 WeakPolarHBondContact OE1-CE2 3.3Å; E116-Y118 VanDerWaalsContact OE1-CZ 3.3Å; E116-Y118 PolarHBondContact OE1-OH 3.46Å; E116-K222 WeakPolarHBondContact OE2-CE 3.16Å; E116-K222 IonicContact OE2-NZ 3.43Å; E116-K222 PolarHBondContact OE2-NZ 2.78Å
117	A	97.5	Very high	96.3	Very high	2 Å²	2	34.9 Å²	34.9	2%	0.017	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132	175.8	0	0	0	0	0	112.1	L10 V11 F99 L102 V109 E110 L119	L10-A117 VanDerWaalsContact CD2-O 3.23Å; L10-A117 WeakPolarHBondContact CD2-O 3.37Å; V11-A117 PolarHBondContact N-O 3.35Å; V11-A117 PolarHBondContact O-N 3.39Å; F99-A117 HydrophobicContact CE1-CB 3.57Å; F99-A117 HydrophobicContact CZ-CB 3.69Å; L102-A117 HydrophobicContact CD1-CB 3.67Å; V109-A117 HydrophobicContact CG1-CB 4.41Å; E110-A117 CarbonylContact O-C 3.49Å; E110-A117 WeakPolarHBondContact O-CA 3.27Å; A117-L119 HydrophobicContact CB-CD2 4.46Å
118	Y	98.1	Very high	96.4	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140	162.5	-60.4	-90.2	0	0	0	109.3	V8 V9 L10 E110 A112 E116 K218 K222	V8-Y118 HydrophobicContact CG1-CD1 4.31Å; V9-Y118 CarbonylContact O-C 3.53Å; V9-Y118 WeakPolarHBondContact O-CA 3.35Å; L10-Y118 HydrophobicContact CB-CD1 4.03Å; L10-Y118 HydrophobicContact CB-CE1 3.96Å; L10-Y118 HydrophobicContact CD2-CD1 3.54Å; L10-Y118 HydrophobicContact CD2-CD2 3.9Å; L10-Y118 HydrophobicContact CD2-CE1 3.39Å; L10-Y118 HydrophobicContact CD2-CE2 3.74Å; L10-Y118 HydrophobicContact CD2-CG 3.76Å; L10-Y118 VanDerWaalsContact CD2-CZ 3.44Å; L10-Y118 HydrophobicContact CG-CD1 4.01Å; L10-Y118 HydrophobicContact CG-CE1 3.59Å; E110-Y118 PolarHBondContact N-O 2.89Å; E110-Y118 PolarHBondContact O-N 3.2Å; A112-Y118 HydrophobicContact CB-CD2 3.9Å; A112-Y118 HydrophobicContact CB-CE2 3.56Å; E116-Y118 VanDerWaalsContact OE1-CE2 3.27Å; E116-Y118 WeakPolarHBondContact OE1-CE2 3.3Å; E116-Y118 VanDerWaalsContact OE1-CZ 3.3Å; E116-Y118 PolarHBondContact OE1-OH 3.46Å; Y118-K218 HydrophobicContact CD1-CB 3.72Å; Y118-K218 HydrophobicContact CD1-CD 4.46Å; Y118-K218 HydrophobicContact CD1-CG 3.69Å; Y118-K218 HydrophobicContact CE1-CB 3.62Å; Y118-K218 HydrophobicContact CE1-CG 4.14Å; Y118-K218 WeakPolarHBondContact CE1-O 3.37Å; Y118-K218 HydrophobicContact CG-CG 4.18Å; Y118-K222 HydrophobicContact CE1-CB 4.3Å
119	L	98.1	Very high	96.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133	175.8	-46.2	177.2	0	0	0	108	V8 V9 V11 L102 I107 V108 V109 A117 L121 F198	V8-L119 WeakPolarHBondContact CA-O 3.47Å; V9-L119 HydrophobicContact CB-CB 4.28Å; V9-L119 HydrophobicContact CB-CD1 4.41Å; V9-L119 HydrophobicContact CG1-CD1 4.44Å; V9-L119 PolarHBondContact N-O 2.7Å; V9-L119 PolarHBondContact O-N 3.33Å; V11-L119 HydrophobicContact CG2-CD1 3.81Å; V11-L119 HydrophobicContact CG2-CG 4.42Å; L102-L119 HydrophobicContact CD1-CD2 4.42Å; L102-L119 HydrophobicContact CD2-CD1 4.07Å; L102-L119 HydrophobicContact CD2-CD2 3.99Å; I107-L119 HydrophobicContact CD1-CB 4.2Å; I107-L119 HydrophobicContact CD1-CD1 4.21Å; I107-L119 HydrophobicContact CD1-CD2 4.26Å; I107-L119 HydrophobicContact CD1-CG 4.46Å; V108-L119 WeakPolarHBondContact O-CA 3.27Å; V109-L119 HydrophobicContact CB-CD2 4.31Å; V109-L119 HydrophobicContact CG1-CD2 3.95Å; V109-L119 HydrophobicContact CG2-CD2 3.91Å; A117-L119 HydrophobicContact CB-CD2 4.46Å; L119-L121 HydrophobicContact CB-CD2 3.95Å; L119-F198 HydrophobicContact CD1-CD2 4.01Å
120	D	97.7	Very high	96.2	Very high	30 Å²	30	37 Å²	37	16%	0.16	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.2	164.3	-149.5	-51.8	0	0	0	109.2	V108 T122 V309	V108-D120 HydrophobicContact CB-CB 3.99Å; V108-D120 PolarHBondContact O-N 3.01Å; D120-T122 WeakPolarHBondContact OD1-CB 3.29Å; D120-T122 PolarHBondContact OD1-N 2.9Å; D120-T122 VanDerWaalsContact OD1-N 3.08Å; D120-T122 PolarHBondContact OD1-OG1 3.45Å; D120-V309 HydrophobicContact CB-CB 3.96Å; D120-V309 HydrophobicContact CB-CG1 4.44Å; D120-V309 HydrophobicContact CB-CG2 4.02Å
121	L	97.8	Very high	96.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.221	C	C	.	.			trans	-107.1	5.9	-179.2	-50.3	-170.6	0	0	0	112	V7 V9 I107 L119 D123 L124 V125 L194 F198	V7-L121 HydrophobicContact CB-CB 4.36Å; V7-L121 HydrophobicContact CG1-CB 4.16Å; V7-L121 PolarHBondContact O-N 3.44Å; V9-L121 HydrophobicContact CB-CD1 4.41Å; V9-L121 HydrophobicContact CG2-CD1 3.47Å; V9-L121 VanDerWaalsContact CG2-CD1 3.47Å; V9-L121 HydrophobicContact CG2-CG 4Å; I107-L121 HydrophobicContact CB-CD2 4.36Å; I107-L121 HydrophobicContact CD1-CD2 3.53Å; I107-L121 HydrophobicContact CG2-CD2 4.09Å; L119-L121 HydrophobicContact CB-CD2 3.95Å; L121-D123 VanDerWaalsContact C-N 3.3Å; L121-D123 PolarHBondContact O-N 3.25Å; L121-L124 PolarHBondContact O-N 3.07Å; L121-V125 HydrophobicContact CB-CG2 3.95Å; L121-V125 WeakPolarHBondContact O-CB 3.12Å; L121-V125 WeakPolarHBondContact O-CG2 3.15Å; L121-V125 PolarHBondContact O-N 3.31Å; L121-L194 HydrophobicContact CD1-CB 4.01Å; L121-L194 HydrophobicContact CD1-CD1 4.31Å; L121-F198 HydrophobicContact CD1-CE2 3.9Å; L121-F198 HydrophobicContact CD2-CE2 3.69Å; L121-F198 HydrophobicContact CD2-CZ 4.39Å; L121-F198 HydrophobicContact CG-CE2 4.5Å
122	T	96.9	Very high	96.1	Very high	24 Å²	24	36.9 Å²	36.9	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-54.2	-41.8	-168.5	-59.7	0	0	0	0	113.2	R6 V7 D120 S126 R187	R6-T122 WeakPolarHBondContact CA-OG1 3.38Å; V7-T122 PolarHBondContact N-OG1 3.08Å; D120-T122 WeakPolarHBondContact OD1-CB 3.29Å; D120-T122 PolarHBondContact OD1-N 2.9Å; D120-T122 VanDerWaalsContact OD1-N 3.08Å; D120-T122 PolarHBondContact OD1-OG1 3.45Å; T122-S126 PolarHBondContact O-N 2.85Å; T122-S126 PolarHBondContact O-OG 2.86Å; T122-R187 PolarHBondContact O-NH2 2.83Å; T122-R187 VanDerWaalsContact O-NH2 3.15Å
123	D	95.8	Very high	96	Very high	123 Å²	123	38.1 Å²	38.1	66%	0.658	21%	0.213	S	C	*	.	H	α-helix	trans	-80.6	-40.4	-179.1	-57.6	-32	0	0	0	112.5	L121 S126 T127	L121-D123 VanDerWaalsContact C-N 3.3Å; L121-D123 PolarHBondContact O-N 3.25Å; D123-S126 WeakPolarHBondContact O-CB 3.15Å; D123-S126 PolarHBondContact O-N 3.3Å; D123-T127 PolarHBondContact O-N 2.87Å; D123-T127 PolarHBondContact O-OG1 3.17Å
124	L	96.8	Very high	95.9	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-46	176	178.3	60.2	0	0	0	111.4	I107 L121 S126 T127 E128 L194 F198	I107-L124 HydrophobicContact CG2-CB 4.23Å; I107-L124 HydrophobicContact CG2-CD2 3.75Å; L121-L124 PolarHBondContact O-N 3.07Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.86Å; L124-T127 PolarHBondContact O-N 2.9Å; L124-E128 HydrophobicContact CD1-CG 3.9Å; L124-E128 HydrophobicContact CG-CG 4.28Å; L124-E128 WeakPolarHBondContact O-CB 3.36Å; L124-E128 WeakPolarHBondContact O-CG 3.3Å; L124-E128 PolarHBondContact O-N 3.36Å; L124-L194 HydrophobicContact CD2-CD1 3.96Å; L124-L194 HydrophobicContact CD2-CD2 4.34Å; L124-L194 HydrophobicContact CG-CD1 3.97Å; L124-F198 HydrophobicContact CD2-CZ 3.96Å
125	V	96.8	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-39.4	174.6	165	0	0	0	0	111.5	V7 L121 T127 L129 R187 L190 L194	V7-V125 HydrophobicContact CB-CG2 4.29Å; V7-V125 HydrophobicContact CG1-CG2 4.19Å; V7-V125 HydrophobicContact CG2-CB 4.45Å; V7-V125 HydrophobicContact CG2-CG1 4.18Å; V7-V125 HydrophobicContact CG2-CG2 4.33Å; L121-V125 HydrophobicContact CB-CG2 3.95Å; L121-V125 WeakPolarHBondContact O-CB 3.12Å; L121-V125 WeakPolarHBondContact O-CG2 3.15Å; L121-V125 PolarHBondContact O-N 3.31Å; V125-T127 VanDerWaalsContact C-N 3.28Å; V125-T127 PolarHBondContact O-N 2.94Å; V125-L129 WeakPolarHBondContact O-CB 3.35Å; V125-L129 PolarHBondContact O-N 3.35Å; V125-R187 HydrophobicContact CG1-CB 3.64Å; V125-R187 HydrophobicContact CG1-CG 3.88Å; V125-R187 WeakPolarHBondContact CG1-O 3.37Å; V125-L190 HydrophobicContact CG1-CB 4.37Å; V125-L190 HydrophobicContact CG1-CD2 4.32Å; V125-L194 HydrophobicContact CG2-CD1 3.67Å
126	S	94.5	Very high	95.6	Very high	39 Å²	39	46.9 Å²	46.9	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-39.6	176.4	-54.6	0	0	0	0	111.7	T122 D123 L124 T130 R187	T122-S126 PolarHBondContact O-N 2.85Å; T122-S126 PolarHBondContact O-OG 2.86Å; D123-S126 WeakPolarHBondContact O-CB 3.15Å; D123-S126 PolarHBondContact O-N 3.3Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.86Å; S126-T130 WeakPolarHBondContact O-CB 3.42Å; S126-T130 PolarHBondContact O-N 3.34Å; S126-T130 PolarHBondContact O-OG1 3.06Å; S126-R187 PolarHBondContact OG-NH1 3.22Å; S126-R187 PolarHBondContact OG-NH2 2.58Å; S126-R187 VanDerWaalsContact OG-NH2 3.16Å
127	T	95.5	Very high	95.4	Very high	96 Å²	96	50.9 Å²	50.9	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-71.7	-52.1	-179.9	-51.7	0	0	0	0	111.1	D123 L124 V125 L129 T130 A131	D123-T127 PolarHBondContact O-N 2.87Å; D123-T127 PolarHBondContact O-OG1 3.17Å; L124-T127 PolarHBondContact O-N 2.9Å; V125-T127 VanDerWaalsContact C-N 3.28Å; V125-T127 PolarHBondContact O-N 2.94Å; T127-L129 PolarHBondContact O-N 2.98Å; T127-T130 PolarHBondContact O-N 3.35Å; T127-A131 PolarHBondContact O-N 2.87Å
128	E	95.5	Very high	95.2	Very high	73 Å²	73	55.7 Å²	55.7	34%	0.341	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-37.8	179.7	-66.6	-90.1	137.4	0	0	112	L124 T130 A131 L132 L190 R197	L124-E128 HydrophobicContact CD1-CG 3.9Å; L124-E128 HydrophobicContact CG-CG 4.28Å; L124-E128 WeakPolarHBondContact O-CB 3.36Å; L124-E128 WeakPolarHBondContact O-CG 3.3Å; L124-E128 PolarHBondContact O-N 3.36Å; E128-T130 VanDerWaalsContact C-N 3.35Å; E128-A131 PolarHBondContact O-N 2.97Å; E128-L132 WeakPolarHBondContact O-CB 3.39Å; E128-L132 PolarHBondContact O-N 2.74Å; E128-L190 HydrophobicContact CB-CD2 3.71Å; E128-L190 HydrophobicContact CB-CG 4.44Å; E128-R197 IonicContact OE2-NH1 3.1Å
129	L	94.5	Very high	95.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-69.1	-33.8	177.7	-174	58.9	0	0	0	112	V125 T127 R133 F139 L171 E183 L186 R187 L190	V125-L129 WeakPolarHBondContact O-CB 3.35Å; V125-L129 PolarHBondContact O-N 3.35Å; T127-L129 PolarHBondContact O-N 2.98Å; L129-R133 WeakPolarHBondContact O-CG 3.44Å; L129-R133 PolarHBondContact O-N 2.94Å; L129-R133 VanDerWaalsContact O-N 3.14Å; L129-F139 HydrophobicContact CD1-CZ 4Å; L129-L171 HydrophobicContact CD1-CD1 3.95Å; L129-E183 WeakPolarHBondContact CD2-OE1 3.12Å; L129-L186 HydrophobicContact CD1-CB 4.45Å; L129-L186 HydrophobicContact CD2-CB 4.14Å; L129-R187 HydrophobicContact CD2-CG 3.74Å; L129-L190 HydrophobicContact CB-CD2 3.66Å; L129-L190 HydrophobicContact CD1-CD2 4.37Å; L129-L190 VanDerWaalsContact N-CD2 3.32Å
130	T	94.1	Very high	94.9	Very high	69 Å²	69	59.6 Å²	59.6	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	-66.7	-48.9	173.4	-55.5	0	0	0	0	110.1	S126 T127 E128 L132 R133 E134	S126-T130 WeakPolarHBondContact O-CB 3.42Å; S126-T130 PolarHBondContact O-N 3.34Å; S126-T130 PolarHBondContact O-OG1 3.06Å; T127-T130 PolarHBondContact O-N 3.35Å; E128-T130 VanDerWaalsContact C-N 3.35Å; T130-L132 VanDerWaalsContact C-N 3.32Å; T130-L132 PolarHBondContact O-N 2.83Å; T130-R133 WeakPolarHBondContact O-CB 3.44Å; T130-R133 PolarHBondContact O-N 2.75Å; T130-E134 HydrophobicContact CG2-CG 4.42Å; T130-E134 WeakPolarHBondContact O-CG 3.25Å; T130-E134 PolarHBondContact O-N 2.87Å
131	A	95	Very high	94.7	Very high	36 Å²	36	62.6 Å²	62.6	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-37.1	176.7	0	0	0	0	0	112.8	T127 E128 E134 N135	T127-A131 PolarHBondContact O-N 2.87Å; E128-A131 PolarHBondContact O-N 2.97Å; A131-E134 PolarHBondContact O-N 3.49Å; A131-N135 WeakPolarHBondContact O-CB 3.44Å; A131-N135 PolarHBondContact O-N 2.64Å; A131-N135 PolarHBondContact O-ND2 3.06Å
132	L	94	Very high	94.5	Very high	19 Å²	19	68 Å²	68	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-41.6	177.3	-174.2	149.8	0	0	0	111.2	E128 T130 G136 Q137 F139 L171 L190	E128-L132 WeakPolarHBondContact O-CB 3.39Å; E128-L132 PolarHBondContact O-N 2.74Å; T130-L132 VanDerWaalsContact C-N 3.32Å; T130-L132 PolarHBondContact O-N 2.83Å; L132-G136 PolarHBondContact O-N 3Å; L132-Q137 WeakPolarHBondContact CD2-O 3.21Å; L132-Q137 HydrophobicContact CG-CB 4.14Å; L132-Q137 PolarHBondContact O-N 3.19Å; L132-F139 HydrophobicContact CD1-CD1 4.46Å; L132-F139 HydrophobicContact CD1-CE1 4.31Å; L132-F139 HydrophobicContact CD2-CE2 4.42Å; L132-L171 HydrophobicContact CD2-CD1 3.43Å; L132-L171 VanDerWaalsContact CD2-CD1 3.43Å; L132-L171 HydrophobicContact CD2-CD2 3.54Å; L132-L171 HydrophobicContact CD2-CG 4.11Å; L132-L190 HydrophobicContact CD1-CD1 4.44Å
133	R	93.6	Very high	94.4	Very high	69 Å²	69	68.9 Å²	68.9	26%	0.26	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-52.4	170.9	-72.5	168.2	160.6	142.3	-1.2	112.2	L129 T130 N135 G136 L171 E183	L129-R133 WeakPolarHBondContact O-CG 3.44Å; L129-R133 PolarHBondContact O-N 2.94Å; L129-R133 VanDerWaalsContact O-N 3.14Å; T130-R133 WeakPolarHBondContact O-CB 3.44Å; T130-R133 PolarHBondContact O-N 2.75Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.14Å; R133-G136 PolarHBondContact O-N 2.85Å; R133-L171 HydrophobicContact CG-CD1 3.64Å; R133-L171 HydrophobicContact CG-CG 4.09Å; R133-L171 PolarHBondContact NE-O 3.04Å; R133-L171 PolarHBondContact NH2-O 3.48Å; R133-L171 VanDerWaalsContact NH2-O 3.13Å; R133-E183 IonicContact CZ-OE1 3.77Å; R133-E183 IonicContact CZ-OE2 3.44Å; R133-E183 IonicContact NH1-OE1 3.97Å; R133-E183 PolarHBondContact NH1-OE1 3.18Å; R133-E183 IonicContact NH1-OE2 2.71Å; R133-E183 PolarHBondContact NH1-OE2 3.44Å; R133-E183 VanDerWaalsContact NH1-OE2 3.1Å; R133-E183 IonicContact NH2-OE1 3.91Å; R133-E183 IonicContact NH2-OE2 3.36Å; R133-E183 PolarHBondContact NH2-OE2 2.64Å
134	E	93	Very high	94.3	Very high	154 Å²	154	63.1 Å²	63.1	72%	0.72	34%	0.344	S	S	*	.	H	α-helix	trans	-60.9	-37.2	-177.5	-73.3	177	161.6	0	0	113.2	T130 A131 G136	T130-E134 HydrophobicContact CG2-CG 4.42Å; T130-E134 WeakPolarHBondContact O-CG 3.25Å; T130-E134 PolarHBondContact O-N 2.87Å; A131-E134 PolarHBondContact O-N 3.49Å; E134-G136 VanDerWaalsContact C-N 3.28Å; E134-G136 PolarHBondContact O-N 3.13Å
135	N	93.7	Very high	94.1	Very high	112 Å²	112	68.9 Å²	68.9	60%	0.599	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.8	177.2	-71	-73.1	0	0	0	113.7	A131 R133 Q137	A131-N135 WeakPolarHBondContact O-CB 3.44Å; A131-N135 PolarHBondContact O-N 2.64Å; A131-N135 PolarHBondContact O-ND2 3.06Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.14Å; N135-Q137 HydrophobicContact CB-CG 3.9Å; N135-Q137 PolarHBondContact O-N 3.42Å
136	G	91.6	Very high	93.9	Very high	54 Å²	54	70.3 Å²	70.3	56%	0.557	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	26	-175.1	0	0	0	0	0	113.8	L132 R133 E134	L132-G136 PolarHBondContact O-N 3Å; R133-G136 PolarHBondContact O-N 2.85Å; E134-G136 VanDerWaalsContact C-N 3.28Å; E134-G136 PolarHBondContact O-N 3.13Å
137	Q	92.9	Very high	94	Very high	112 Å²	112	68.8 Å²	68.8	52%	0.523	36%	0.36	S	S	.	.			trans	-82.9	146.6	-179.1	-71.1	179.7	2.2	0	0	110.6	L132 N135 L171	L132-Q137 WeakPolarHBondContact CD2-O 3.21Å; L132-Q137 HydrophobicContact CG-CB 4.14Å; L132-Q137 PolarHBondContact O-N 3.19Å; N135-Q137 HydrophobicContact CB-CG 3.9Å; N135-Q137 PolarHBondContact O-N 3.42Å; Q137-L171 WeakPolarHBondContact O-CD2 3.34Å
138	L	94.1	Very high	94	Very high	104 Å²	104	69 Å²	69	55%	0.545	35%	0.35	S	S	.	.			trans	-107.4	154.9	177.9	-63.8	-175.4	0	0	0	110.8	N140 N168 L171	L138-N140 PolarHBondContact O-N 2.82Å; L138-N168 WeakPolarHBondContact CB-OD1 3.37Å; L138-N168 HydrophobicContact CD2-CB 4.18Å; L138-L171 HydrophobicContact CD2-CD2 3.91Å
139	F	95.3	Very high	94	Very high	7 Å²	7	66.4 Å²	66.4	3%	0.031	34%	0.339	C	S	.	.			trans	-62.9	125.1	169.6	-65.3	-81.4	0	0	0	109.8	L129 L132 V164 A167 N168 L171 L186 L189 L190 I193	L129-F139 HydrophobicContact CD1-CZ 4Å; L132-F139 HydrophobicContact CD1-CD1 4.46Å; L132-F139 HydrophobicContact CD1-CE1 4.31Å; L132-F139 HydrophobicContact CD2-CE2 4.42Å; F139-V164 HydrophobicContact CB-CG1 4.14Å; F139-V164 WeakPolarHBondContact O-CG1 3.48Å; F139-A167 HydrophobicContact CD2-CB 3.81Å; F139-A167 HydrophobicContact CE2-CB 3.97Å; F139-N168 WeakPolarHBondContact CB-OD1 3.41Å; F139-N168 WeakPolarHBondContact CD2-OD1 3.42Å; F139-N168 PolarHBondContact N-OD1 3.31Å; F139-N168 PolarHBondContact O-ND2 2.87Å; F139-L171 HydrophobicContact CE2-CD1 4.09Å; F139-L186 HydrophobicContact CE2-CD2 4.02Å; F139-L189 HydrophobicContact CB-CD2 4.36Å; F139-L189 HydrophobicContact CD1-CD2 3.84Å; F139-L189 HydrophobicContact CD1-CG 4.08Å; F139-L189 HydrophobicContact CD2-CD2 4.09Å; F139-L189 HydrophobicContact CE1-CB 4.47Å; F139-L189 HydrophobicContact CE1-CD2 4.09Å; F139-L189 HydrophobicContact CE1-CG 4.18Å; F139-L189 HydrophobicContact CE2-CD2 4.33Å; F139-L189 HydrophobicContact CG-CD2 3.84Å; F139-L189 HydrophobicContact CZ-CD2 4.33Å; F139-L190 HydrophobicContact CE1-CB 4.07Å; F139-L190 HydrophobicContact CE1-CD1 4.34Å; F139-I193 HydrophobicContact CD1-CD1 3.89Å
140	N	94.1	Very high	93.8	Very high	82 Å²	82	67 Å²	67	44%	0.439	34%	0.344	S	S	.	.			trans	-95	133.6	173.3	-173.3	0.3	0	0	0	110.5	L138 D142	L138-N140 PolarHBondContact O-N 2.82Å; N140-D142 VanDerWaalsContact C-N 3.33Å; N140-D142 PolarHBondContact OD1-N 3.03Å; N140-D142 VanDerWaalsContact OD1-N 3.08Å
141	E	93.2	Very high	93.1	Very high	92 Å²	92	64.6 Å²	64.6	43%	0.43	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-68.1	-29.3	177.1	-166.2	173.4	163.3	0	0	112.8	D143 L144 R145 S161	E141-D143 VanDerWaalsContact C-N 3.27Å; E141-D143 PolarHBondContact O-N 3.27Å; E141-L144 CarbonylContact O-C 3.52Å; E141-L144 WeakPolarHBondContact O-CA 3.38Å; E141-L144 WeakPolarHBondContact O-CB 3.3Å; E141-L144 PolarHBondContact O-N 2.97Å; E141-R145 PolarHBondContact O-N 3.45Å; E141-S161 WeakPolarHBondContact OE1-CB 3.46Å; E141-S161 PolarHBondContact OE1-OG 3.14Å
142	D	93.6	Very high	91.5	Very high	116 Å²	116	65.3 Å²	65.3	62%	0.62	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-60.1	-35	177.6	-78.4	-42.7	0	0	0	113.1	N140 L144	N140-D142 VanDerWaalsContact C-N 3.33Å; N140-D142 PolarHBondContact OD1-N 3.03Å; N140-D142 VanDerWaalsContact OD1-N 3.08Å; D142-L144 PolarHBondContact O-N 3.47Å
143	D	94.7	Very high	90.2	Very high	42 Å²	42	69.2 Å²	69.2	23%	0.225	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-69.3	-12	175.7	-97.6	-24.2	0	0	0	112.2	E141 I193 N196 R197	E141-D143 VanDerWaalsContact C-N 3.27Å; E141-D143 PolarHBondContact O-N 3.27Å; D143-I193 HydrophobicContact CB-CD1 4.25Å; D143-I193 HydrophobicContact CB-CG1 4.13Å; D143-I193 HydrophobicContact CB-CG2 4.08Å; D143-N196 PolarHBondContact O-ND2 2.9Å; D143-R197 IonicContact OD2-NH2 3.62Å
144	L	94.9	Very high	88.5	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.01	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-114.3	-3.4	-174.3	-68.2	165.7	0	0	0	114.2	E141 D142 D146 T147 M160 V164 L189 C192 I193	E141-L144 CarbonylContact O-C 3.52Å; E141-L144 WeakPolarHBondContact O-CA 3.38Å; E141-L144 WeakPolarHBondContact O-CB 3.3Å; E141-L144 PolarHBondContact O-N 2.97Å; D142-L144 PolarHBondContact O-N 3.47Å; L144-D146 PolarHBondContact O-N 2.7Å; L144-T147 HydrophobicContact CD2-CG2 4.48Å; L144-T147 WeakPolarHBondContact O-CA 3.25Å; L144-T147 WeakPolarHBondContact O-CB 3.3Å; L144-T147 PolarHBondContact O-N 3.31Å; L144-T147 PolarHBondContact O-OG1 2.64Å; L144-M160 HydrophobicContact CB-CE 4.37Å; L144-M160 HydrophobicContact CD1-CE 4.05Å; L144-M160 HydrophobicContact CD2-CE 4.13Å; L144-M160 HydrophobicContact CG-CE 4.42Å; L144-V164 HydrophobicContact CD1-CG2 3.36Å; L144-L189 HydrophobicContact CD1-CD1 3.57Å; L144-L189 HydrophobicContact CD1-CG 4.28Å; L144-L189 HydrophobicContact CD2-CD1 4.24Å; L144-C192 HydrophobicContact CD2-CB 3.52Å; L144-I193 HydrophobicContact CD1-CG1 4.37Å; L144-I193 HydrophobicContact CD2-CG1 3.74Å; L144-I193 HydrophobicContact CG-CG1 3.92Å
145	R	91.2	Very high	87.1	Confident	168 Å²	168	66.2 Å²	66.2	63%	0.634	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-21.9	-179.2	77.1	-172.1	-168.5	-162.2	0.1	118	E141	E141-R145 PolarHBondContact O-N 3.45Å
146	D	93.5	Very high	86.2	Confident	29 Å²	29	68.5 Å²	68.5	16%	0.155	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	10.9	179.8	-73.4	-61.2	0	0	0	112.5	L144 K232 Q233	L144-D146 PolarHBondContact O-N 2.7Å; D146-K232 HydrophobicContact CB-CD 4.11Å; D146-K232 CarbonylContact O-C 3.51Å; D146-K232 WeakPolarHBondContact O-CA 3.44Å; D146-K232 WeakPolarHBondContact OD1-CD 3.49Å; D146-K232 IonicContact OD1-NZ 2.93Å; D146-K232 PolarHBondContact OD1-NZ 3.47Å; D146-Q233 PolarHBondContact O-N 2.99Å
147	T	97.1	Very high	85.7	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.049	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.8	-178	-41	0	0	0	0	111	L144 M160 C192 N196 Q233	L144-T147 HydrophobicContact CD2-CG2 4.48Å; L144-T147 WeakPolarHBondContact O-CA 3.25Å; L144-T147 WeakPolarHBondContact O-CB 3.3Å; L144-T147 PolarHBondContact O-N 3.31Å; L144-T147 PolarHBondContact O-OG1 2.64Å; T147-M160 HydrophobicContact CG2-CE 3.95Å; T147-M160 HydrophobicContact CG2-SD 3.77Å; T147-M160 WeakPolarHBondContact O-CG 3.39Å; T147-C192 HydrophobicContact CG2-CB 3.92Å; T147-N196 PolarHBondContact OG1-ND2 2.8Å; T147-Q233 CarbonylContact C-O 3.57Å; T147-Q233 VanDerWaalsContact CA-O 3.32Å; T147-Q233 WeakPolarHBondContact CA-O 3.26Å; T147-Q233 HydrophobicContact CG2-CG 4.09Å; T147-Q233 PolarHBondContact OG1-NE2 3.23Å
148	Y	95.7	Very high	85.3	Confident	99 Å²	99	65.5 Å²	65.5	39%	0.388	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.4	176.4	-69.7	-101.5	0	0	0	110	N228 K232 Q233 T234 L235	Y148-N228 WeakPolarHBondContact CB-ND2 3.45Å; Y148-N228 HydrophobicContact CD2-CB 4.33Å; Y148-N228 HydrophobicContact CG-CB 4.48Å; Y148-K232 HydrophobicContact CD2-CB 4.12Å; Y148-K232 HydrophobicContact CD2-CG 4.3Å; Y148-K232 HydrophobicContact CE2-CB 4.05Å; Y148-K232 HydrophobicContact CE2-CD 3.69Å; Y148-K232 HydrophobicContact CE2-CG 3.73Å; Y148-Q233 PolarHBondContact N-O 2.87Å; Y148-T234 CarbonylContact O-C 3.56Å; Y148-T234 VanDerWaalsContact O-CA 3.3Å; Y148-T234 WeakPolarHBondContact O-CA 3.4Å; Y148-T234 WeakPolarHBondContact O-CG2 3.44Å; Y148-L235 PolarHBondContact O-N 2.93Å
149	L	94.7	Very high	85.1	Confident	19 Å²	19	63 Å²	63	10%	0.099	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	148.2	163.5	-57.4	-179.3	0	0	0	109	W157 D159 M160 L163 L235 M240	L149-W157 HydrophobicContact CD1-CB 3.95Å; L149-W157 WeakPolarHBondContact CD1-O 3.4Å; L149-D159 WeakPolarHBondContact CD1-O 3.46Å; L149-M160 HydrophobicContact CD2-SD 3.52Å; L149-M160 VanDerWaalsContact CD2-SD 3.52Å; L149-M160 HydrophobicContact CG-SD 3.99Å; L149-L163 HydrophobicContact CD2-CD2 3.88Å; L149-L235 HydrophobicContact CD2-CB 4.34Å; L149-L235 HydrophobicContact CD2-CD2 3.98Å; L149-L235 HydrophobicContact CD2-CG 4.38Å; L149-M240 HydrophobicContact CB-CE 3.88Å; L149-M240 HydrophobicContact CB-SD 4.15Å; L149-M240 HydrophobicContact CD1-CE 3.73Å; L149-M240 HydrophobicContact CD2-CE 4.01Å; L149-M240 HydrophobicContact CG-CE 4.07Å
150	A	91.1	Very high	84.9	Confident	14 Å²	14	63.5 Å²	63.5	12%	0.116	32%	0.32	C	S	.	.	S	Bend	trans	-65.5	-43.3	-173.1	0	0	0	0	0	113.9	L227 T234 L235 V236	A150-L227 HydrophobicContact CB-CD1 3.7Å; A150-T234 HydrophobicContact CB-CG2 3.98Å; A150-L235 WeakPolarHBondContact CB-O 3.34Å; A150-L235 PolarHBondContact N-O 3.28Å; A150-V236 HydrophobicContact CB-CG2 3.56Å
151	I	77.9	Confident	84.8	Confident	18 Å²	18	61.9 Å²	61.9	9%	0.092	32%	0.315	C	S	.	.			trans	-148.6	136.7	172.3	-65.7	-174	0	0	0	107.1	D153 S155 S243 K247	I151-D153 HydrophobicContact CG2-CB 3.93Å; I151-S155 PolarHBondContact O-OG 2.93Å; I151-S243 VanDerWaalsContact CD1-O 3.27Å; I151-S243 WeakPolarHBondContact CD1-O 3.37Å; I151-K247 HydrophobicContact CD1-CB 4.41Å; I151-K247 HydrophobicContact CD1-CD 3.64Å; I151-K247 HydrophobicContact CD1-CG 4.04Å
152	S	62.7	Low	84.8	Confident	51 Å²	51	61.2 Å²	61.2	36%	0.357	31%	0.311	S	S	.	.			trans	-101.4	-14.9	-179.5	49.8	0	0	0	0	114.3	D154 S155 T158	S152-D154 VanDerWaalsContact C-N 3.25Å; S152-D154 PolarHBondContact O-N 2.8Å; S152-D154 VanDerWaalsContact O-N 3.08Å; S152-S155 WeakPolarHBondContact CA-OG 3.35Å; S152-S155 PolarHBondContact O-N 2.72Å; S152-S155 PolarHBondContact O-OG 3.07Å; S152-T158 WeakPolarHBondContact CB-O 3.39Å
153	D	65.1	Low	84.7	Confident	102 Å²	102	55.7 Å²	55.7	55%	0.545	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.7	-164	-50.5	11.3	0	0	0	115.8	I151 K247	I151-D153 HydrophobicContact CG2-CB 3.93Å; D153-K247 IonicContact OD1-NZ 3.98Å; D153-K247 IonicContact OD2-NZ 2.91Å; D153-K247 PolarHBondContact OD2-NZ 3.49Å
154	D	58.8	Low	84.7	Confident	141 Å²	141	54 Å²	54	75%	0.754	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.4	14.2	-175.6	-86.1	-54.7	0	0	0	112.7	S152	S152-D154 VanDerWaalsContact C-N 3.25Å; S152-D154 PolarHBondContact O-N 2.8Å; S152-D154 VanDerWaalsContact O-N 3.08Å
155	S	63.9	Low	84.6	Confident	18 Å²	18	59.4 Å²	59.4	13%	0.126	30%	0.298	C	S	.	.	S	Bend	trans	-97.1	150.1	-173.7	49.3	0	0	0	0	113.6	I151 S152 W157	I151-S155 PolarHBondContact O-OG 2.93Å; S152-S155 WeakPolarHBondContact CA-OG 3.35Å; S152-S155 PolarHBondContact O-N 2.72Å; S152-S155 PolarHBondContact O-OG 3.07Å; S155-W157 PolarHBondContact O-N 3.23Å; S155-W157 PolarHBondContact OG-O 3.44Å
156	H	73.5	Confident	84.7	Confident	161 Å²	161	53.9 Å²	53.9	75%	0.745	28%	0.278	S	S	*	.	S	Bend	trans	-56.5	-15.7	174.9	-71.3	-67.7	0	0	0	115
157	W	82.8	Confident	84.7	Confident	27 Å²	27	52.5 Å²	52.5	10%	0.102	27%	0.27	C	S	.	.			trans	-130.4	127.3	173.6	-49.4	-70.5	0	0	0	107.5	L149 S155 Q162 L163 W166 A185 V237 M240	L149-W157 HydrophobicContact CD1-CB 3.95Å; L149-W157 WeakPolarHBondContact CD1-O 3.4Å; S155-W157 PolarHBondContact O-N 3.23Å; S155-W157 PolarHBondContact OG-O 3.44Å; W157-Q162 HydrophobicContact CB-CB 4.27Å; W157-L163 HydrophobicContact CB-CB 4.2Å; W157-L163 HydrophobicContact CD2-CB 4.28Å; W157-L163 HydrophobicContact CD2-CD1 3.7Å; W157-L163 HydrophobicContact CE3-CD1 3.9Å; W157-L163 HydrophobicContact CG-CB 3.96Å; W157-L163 HydrophobicContact CG-CD1 4.28Å; W157-L163 HydrophobicContact CH2-CD1 4.04Å; W157-L163 HydrophobicContact CZ2-CD1 3.85Å; W157-L163 HydrophobicContact CZ3-CD1 4.07Å; W157-W166 AromaticContact CE2-CD2 3.96Å; W157-W166 AromaticContact CE2-CG 4Å; W157-W166 HydrophobicContact CH2-CE3 4.48Å; W157-W166 AromaticContact CZ2-CD2 3.52Å; W157-W166 HydrophobicContact CZ2-CD2 3.52Å; W157-W166 AromaticContact CZ2-CE2 3.81Å; W157-W166 AromaticContact CZ2-CE3 3.64Å; W157-W166 HydrophobicContact CZ2-CE3 3.64Å; W157-W166 HydrophobicContact CZ2-CG 4Å; W157-W166 HydrophobicContact CZ2-CH2 4.4Å; W157-W166 HydrophobicContact CZ2-CZ2 4.26Å; W157-W166 HydrophobicContact CZ2-CZ3 4.09Å; W157-W166 AromaticContact NE1-CD1 3.94Å; W157-W166 AromaticContact NE1-CD2 3.83Å; W157-W166 AromaticContact NE1-CG 3.38Å; W157-A185 HydrophobicContact CH2-CB 4.13Å; W157-V237 HydrophobicContact CE3-CG2 4.35Å; W157-V237 HydrophobicContact CZ3-CG2 3.99Å; W157-M240 HydrophobicContact CE3-CE 4.44Å
158	T	84.2	Confident	84.5	Confident	75 Å²	75	53.7 Å²	53.7	46%	0.46	28%	0.276	S	S	.	.	S	Bend	trans	-87.7	-17.2	175.9	57.9	0	0	0	0	113.2	S152 Q162	S152-T158 WeakPolarHBondContact CB-O 3.39Å; T158-Q162 PolarHBondContact OG1-NE2 3.11Å; T158-Q162 PolarHBondContact OG1-OE1 2.86Å
159	D	88.3	Confident	84.3	Confident	53 Å²	53	55.3 Å²	55.3	28%	0.283	29%	0.287	S	S	.	.	S	Bend	trans	-151.6	171.2	-173.8	53.2	67.8	0	0	0	111.6	L149 S161 Q162 L163	L149-D159 WeakPolarHBondContact CD1-O 3.46Å; D159-S161 VanDerWaalsContact C-N 3.32Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-N 2.81Å; D159-S161 VanDerWaalsContact OD1-N 3.12Å; D159-Q162 WeakPolarHBondContact OD1-CG 3.39Å; D159-Q162 PolarHBondContact OD1-N 3.2Å; D159-Q162 PolarHBondContact OD2-NE2 3.38Å; D159-L163 PolarHBondContact O-N 3.33Å
160	M	92.2	Very high	84.1	Confident	17 Å²	17	57.5 Å²	57.5	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-32.3	178.7	-69	-57.2	-51.2	0	0	112.7	L144 T147 L149 L163 V164 L189	L144-M160 HydrophobicContact CB-CE 4.37Å; L144-M160 HydrophobicContact CD1-CE 4.05Å; L144-M160 HydrophobicContact CD2-CE 4.13Å; L144-M160 HydrophobicContact CG-CE 4.42Å; T147-M160 HydrophobicContact CG2-CE 3.95Å; T147-M160 HydrophobicContact CG2-SD 3.77Å; T147-M160 WeakPolarHBondContact O-CG 3.39Å; L149-M160 HydrophobicContact CD2-SD 3.52Å; L149-M160 VanDerWaalsContact CD2-SD 3.52Å; L149-M160 HydrophobicContact CG-SD 3.99Å; M160-L163 HydrophobicContact CE-CD2 4.13Å; M160-L163 PolarHBondContact O-N 2.91Å; M160-V164 WeakPolarHBondContact O-CB 3.25Å; M160-V164 VanDerWaalsContact O-CG2 3.29Å; M160-V164 WeakPolarHBondContact O-CG2 3.5Å; M160-V164 PolarHBondContact O-N 3.46Å; M160-L189 HydrophobicContact CE-CD1 3.56Å
161	S	92.8	Very high	84	Confident	47 Å²	47	56.8 Å²	56.8	33%	0.329	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-43.9	-176.7	-35.7	0	0	0	0	111	E141 D159 V164 H165	E141-S161 WeakPolarHBondContact OE1-CB 3.46Å; E141-S161 PolarHBondContact OE1-OG 3.14Å; D159-S161 VanDerWaalsContact C-N 3.32Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-N 2.81Å; D159-S161 VanDerWaalsContact OD1-N 3.12Å; S161-V164 PolarHBondContact O-N 3Å; S161-H165 WeakPolarHBondContact O-CB 3.42Å; S161-H165 PolarHBondContact O-N 2.9Å
162	Q	92	Very high	84.3	Confident	78 Å²	78	60.9 Å²	60.9	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-41.7	173.3	-70.8	172.2	26.1	0	0	112.6	W157 T158 D159 W166	W157-Q162 HydrophobicContact CB-CB 4.27Å; T158-Q162 PolarHBondContact OG1-NE2 3.11Å; T158-Q162 PolarHBondContact OG1-OE1 2.86Å; D159-Q162 WeakPolarHBondContact OD1-CG 3.39Å; D159-Q162 PolarHBondContact OD1-N 3.2Å; D159-Q162 PolarHBondContact OD2-NE2 3.38Å; Q162-W166 VanDerWaalsContact O-CB 3.28Å; Q162-W166 WeakPolarHBondContact O-CB 3.23Å; Q162-W166 PolarHBondContact O-N 2.63Å
163	L	91.6	Very high	85	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-39.4	176.8	175.6	60.5	0	0	0	111.6	L149 W157 D159 M160 W166 A167 L189 L235	L149-L163 HydrophobicContact CD2-CD2 3.88Å; W157-L163 HydrophobicContact CB-CB 4.2Å; W157-L163 HydrophobicContact CD2-CB 4.28Å; W157-L163 HydrophobicContact CD2-CD1 3.7Å; W157-L163 HydrophobicContact CE3-CD1 3.9Å; W157-L163 HydrophobicContact CG-CB 3.96Å; W157-L163 HydrophobicContact CG-CD1 4.28Å; W157-L163 HydrophobicContact CH2-CD1 4.04Å; W157-L163 HydrophobicContact CZ2-CD1 3.85Å; W157-L163 HydrophobicContact CZ3-CD1 4.07Å; D159-L163 PolarHBondContact O-N 3.33Å; M160-L163 HydrophobicContact CE-CD2 4.13Å; M160-L163 PolarHBondContact O-N 2.91Å; L163-W166 HydrophobicContact CD1-CE3 3.9Å; L163-W166 HydrophobicContact CD1-CZ3 4.34Å; L163-A167 WeakPolarHBondContact O-CB 3.33Å; L163-A167 PolarHBondContact O-N 3.43Å; L163-L189 HydrophobicContact CD2-CD1 3.95Å; L163-L189 HydrophobicContact CG-CD1 4.15Å; L163-L189 HydrophobicContact CG-CD2 4.46Å; L163-L235 HydrophobicContact CD2-CD2 3.49Å; L163-L235 VanDerWaalsContact CD2-CD2 3.49Å
164	V	94.3	Very high	84.9	Confident	8 Å²	8	60.3 Å²	60.3	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-44.4	176.2	168	0	0	0	0	111.3	F139 L144 M160 S161 A167 N168 L189	F139-V164 HydrophobicContact CB-CG1 4.14Å; F139-V164 WeakPolarHBondContact O-CG1 3.48Å; L144-V164 HydrophobicContact CD1-CG2 3.36Å; M160-V164 WeakPolarHBondContact O-CB 3.25Å; M160-V164 VanDerWaalsContact O-CG2 3.29Å; M160-V164 WeakPolarHBondContact O-CG2 3.5Å; M160-V164 PolarHBondContact O-N 3.46Å; S161-V164 PolarHBondContact O-N 3Å; V164-A167 PolarHBondContact O-N 3.25Å; V164-N168 WeakPolarHBondContact O-CB 3.47Å; V164-N168 PolarHBondContact O-N 3.48Å; V164-N168 PolarHBondContact O-ND2 2.82Å; V164-L189 HydrophobicContact CG2-CD1 4.34Å; V164-L189 HydrophobicContact CG2-CD2 4.39Å
165	H	93.5	Very high	84.8	Confident	115 Å²	115	58 Å²	58	53%	0.532	31%	0.311	S	S	.	.	H	α-helix	trans	-60.3	-51.9	174.5	175.2	31.2	0	0	0	111	S161 A167 N168 E169	S161-H165 WeakPolarHBondContact O-CB 3.42Å; S161-H165 PolarHBondContact O-N 2.9Å; H165-A167 VanDerWaalsContact C-N 3.28Å; H165-A167 PolarHBondContact O-N 2.95Å; H165-N168 PolarHBondContact O-N 3.24Å; H165-E169 IonicContact CE1-OE1 2.64Å; H165-E169 PolarHBondContact CE1-OE1 3.04Å; H165-E169 IonicContact ND1-OE1 2.8Å; H165-E169 WeakPolarHBondContact O-CG 3.35Å; H165-E169 PolarHBondContact O-N 3.21Å; H165-E169 VanDerWaalsContact O-N 3.1Å
166	W	92.9	Very high	84.1	Confident	52 Å²	52	66.3 Å²	66.3	20%	0.197	35%	0.348	C	S	.	.	H	α-helix	trans	-55	-43.9	175.7	171.5	87.8	0	0	0	111.9	W157 Q162 L163 N168 E169 H170 A182 A185 L186	W157-W166 AromaticContact CE2-CD2 3.96Å; W157-W166 AromaticContact CE2-CG 4Å; W157-W166 HydrophobicContact CH2-CE3 4.48Å; W157-W166 AromaticContact CZ2-CD2 3.52Å; W157-W166 HydrophobicContact CZ2-CD2 3.52Å; W157-W166 AromaticContact CZ2-CE2 3.81Å; W157-W166 AromaticContact CZ2-CE3 3.64Å; W157-W166 HydrophobicContact CZ2-CE3 3.64Å; W157-W166 HydrophobicContact CZ2-CG 4Å; W157-W166 HydrophobicContact CZ2-CH2 4.4Å; W157-W166 HydrophobicContact CZ2-CZ2 4.26Å; W157-W166 HydrophobicContact CZ2-CZ3 4.09Å; W157-W166 AromaticContact NE1-CD1 3.94Å; W157-W166 AromaticContact NE1-CD2 3.83Å; W157-W166 AromaticContact NE1-CG 3.38Å; Q162-W166 VanDerWaalsContact O-CB 3.28Å; Q162-W166 WeakPolarHBondContact O-CB 3.23Å; Q162-W166 PolarHBondContact O-N 2.63Å; L163-W166 HydrophobicContact CD1-CE3 3.9Å; L163-W166 HydrophobicContact CD1-CZ3 4.34Å; W166-N168 VanDerWaalsContact C-N 3.35Å; W166-N168 PolarHBondContact O-N 2.67Å; W166-E169 PolarHBondContact O-N 2.7Å; W166-H170 AromaticContact CD1-CE1 3.36Å; W166-H170 AromaticContact CD1-ND1 3.51Å; W166-H170 AromaticContact CE2-CD2 3.92Å; W166-H170 AromaticContact CE2-CE1 3.88Å; W166-H170 AromaticContact CE2-CG 3.67Å; W166-H170 AromaticContact CE2-ND1 3.62Å; W166-H170 AromaticContact CG-ND1 3.93Å; W166-H170 HydrophobicContact CH2-CB 4.34Å; W166-H170 HydrophobicContact CZ2-CB 4.07Å; W166-H170 AromaticContact CZ2-CD2 3.88Å; W166-H170 AromaticContact CZ2-CG 3.78Å; W166-H170 AromaticContact NE1-CD2 3.73Å; W166-H170 AromaticContact NE1-CE1 3.11Å; W166-H170 PolarHBondContact NE1-CE1 2.81Å; W166-H170 AromaticContact NE1-CG 3.71Å; W166-H170 AromaticContact NE1-ND1 3.31Å; W166-H170 PolarHBondContact NE1-ND1 3.48Å; W166-H170 AromaticContact NE1-NE2 3.34Å; W166-H170 PolarHBondContact NE1-NE2 2.98Å; W166-H170 PolarHBondContact O-N 2.91Å; W166-H170 PolarHBondContact O-ND1 3.44Å; W166-A182 HydrophobicContact CH2-CB 3.81Å; W166-A182 HydrophobicContact CZ2-CB 3.76Å; W166-A185 HydrophobicContact CH2-CB 3.87Å; W166-A185 HydrophobicContact CZ3-CB 3.76Å; W166-L186 HydrophobicContact CH2-CD2 4.34Å; W166-L186 HydrophobicContact CH2-CG 4.46Å; W166-L186 HydrophobicContact CZ3-CD2 3.89Å; W166-L186 HydrophobicContact CZ3-CG 4.38Å
167	A	93.1	Very high	82.8	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-36.7	-179.2	0	0	0	0	0	112.5	F139 L163 V164 H165 H170 L171 L186 L189	F139-A167 HydrophobicContact CD2-CB 3.81Å; F139-A167 HydrophobicContact CE2-CB 3.97Å; L163-A167 WeakPolarHBondContact O-CB 3.33Å; L163-A167 PolarHBondContact O-N 3.43Å; V164-A167 PolarHBondContact O-N 3.25Å; H165-A167 VanDerWaalsContact C-N 3.28Å; H165-A167 PolarHBondContact O-N 2.95Å; A167-H170 PolarHBondContact O-N 2.93Å; A167-L171 WeakPolarHBondContact O-CA 3.34Å; A167-L171 WeakPolarHBondContact O-CB 3.47Å; A167-L171 PolarHBondContact O-N 3.12Å; A167-L186 HydrophobicContact CB-CD2 3.54Å; A167-L186 WeakPolarHBondContact O-CD2 3.46Å; A167-L189 HydrophobicContact CB-CD2 3.37Å
168	N	94.1	Very high	81.4	Confident	33 Å²	33	65.6 Å²	65.6	18%	0.176	35%	0.348	C	S	.	.	H	α-helix	trans	-68.8	-38.2	176	-74.9	-28.1	0	0	0	112.3	L138 F139 V164 H165 W166	L138-N168 WeakPolarHBondContact CB-OD1 3.37Å; L138-N168 HydrophobicContact CD2-CB 4.18Å; F139-N168 WeakPolarHBondContact CB-OD1 3.41Å; F139-N168 WeakPolarHBondContact CD2-OD1 3.42Å; F139-N168 PolarHBondContact N-OD1 3.31Å; F139-N168 PolarHBondContact O-ND2 2.87Å; V164-N168 WeakPolarHBondContact O-CB 3.47Å; V164-N168 PolarHBondContact O-N 3.48Å; V164-N168 PolarHBondContact O-ND2 2.82Å; H165-N168 PolarHBondContact O-N 3.24Å; W166-N168 VanDerWaalsContact C-N 3.35Å; W166-N168 PolarHBondContact O-N 2.67Å
169	E	91.2	Very high	80	Confident	132 Å²	132	68.9 Å²	68.9	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-65.2	-37.1	172.5	-61.6	-64.9	129	0	0	112.1	H165 W166	H165-E169 IonicContact CE1-OE1 2.64Å; H165-E169 PolarHBondContact CE1-OE1 3.04Å; H165-E169 IonicContact ND1-OE1 2.8Å; H165-E169 WeakPolarHBondContact O-CG 3.35Å; H165-E169 PolarHBondContact O-N 3.21Å; H165-E169 VanDerWaalsContact O-N 3.1Å; W166-E169 PolarHBondContact O-N 2.7Å
170	H	89.9	Confident	78.6	Confident	65 Å²	65	72.7 Å²	72.7	30%	0.301	38%	0.376	S	S	.	.	H	α-helix	trans	-93.2	-9.6	-174.7	-67.8	67.9	0	0	0	114.3	W166 A167 N172 A173	W166-H170 AromaticContact CD1-CE1 3.36Å; W166-H170 AromaticContact CD1-ND1 3.51Å; W166-H170 AromaticContact CE2-CD2 3.92Å; W166-H170 AromaticContact CE2-CE1 3.88Å; W166-H170 AromaticContact CE2-CG 3.67Å; W166-H170 AromaticContact CE2-ND1 3.62Å; W166-H170 AromaticContact CG-ND1 3.93Å; W166-H170 HydrophobicContact CH2-CB 4.34Å; W166-H170 HydrophobicContact CZ2-CB 4.07Å; W166-H170 AromaticContact CZ2-CD2 3.88Å; W166-H170 AromaticContact CZ2-CG 3.78Å; W166-H170 AromaticContact NE1-CD2 3.73Å; W166-H170 AromaticContact NE1-CE1 3.11Å; W166-H170 PolarHBondContact NE1-CE1 2.81Å; W166-H170 AromaticContact NE1-CG 3.71Å; W166-H170 AromaticContact NE1-ND1 3.31Å; W166-H170 PolarHBondContact NE1-ND1 3.48Å; W166-H170 AromaticContact NE1-NE2 3.34Å; W166-H170 PolarHBondContact NE1-NE2 2.98Å; W166-H170 PolarHBondContact O-N 2.91Å; W166-H170 PolarHBondContact O-ND1 3.44Å; A167-H170 PolarHBondContact O-N 2.93Å; H170-N172 VanDerWaalsContact C-N 3.27Å; H170-N172 PolarHBondContact O-N 3.32Å; H170-A173 WeakPolarHBondContact O-CB 3.48Å; H170-A173 PolarHBondContact O-N 3.33Å; H170-A173 VanDerWaalsContact O-N 3.16Å
171	L	89.5	Confident	77.7	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-45.2	-175.2	174.2	64.1	0	0	0	113	L129 L132 R133 Q137 L138 F139 A167	L129-L171 HydrophobicContact CD1-CD1 3.95Å; L132-L171 HydrophobicContact CD2-CD1 3.43Å; L132-L171 VanDerWaalsContact CD2-CD1 3.43Å; L132-L171 HydrophobicContact CD2-CD2 3.54Å; L132-L171 HydrophobicContact CD2-CG 4.11Å; R133-L171 HydrophobicContact CG-CD1 3.64Å; R133-L171 HydrophobicContact CG-CG 4.09Å; R133-L171 PolarHBondContact NE-O 3.04Å; R133-L171 PolarHBondContact NH2-O 3.48Å; R133-L171 VanDerWaalsContact NH2-O 3.13Å; Q137-L171 WeakPolarHBondContact O-CD2 3.34Å; L138-L171 HydrophobicContact CD2-CD2 3.91Å; F139-L171 HydrophobicContact CE2-CD1 4.09Å; A167-L171 WeakPolarHBondContact O-CA 3.34Å; A167-L171 WeakPolarHBondContact O-CB 3.47Å; A167-L171 PolarHBondContact O-N 3.12Å
172	N	83.3	Confident	77.3	Confident	104 Å²	104	74.9 Å²	74.9	56%	0.556	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	14.1	-176.5	-63.1	-45.4	0	0	0	112.8	H170	H170-N172 VanDerWaalsContact C-N 3.27Å; H170-N172 PolarHBondContact O-N 3.32Å
173	A	79	Confident	77.2	Confident	37 Å²	37	73.8 Å²	73.8	31%	0.306	38%	0.381	S	S	.	.	S	Bend	trans	-64.6	147.4	171.1	0	0	0	0	0	110.1	H170 A175 T178	H170-A173 WeakPolarHBondContact O-CB 3.48Å; H170-A173 PolarHBondContact O-N 3.33Å; H170-A173 VanDerWaalsContact O-N 3.16Å; A173-A175 PolarHBondContact O-N 3.47Å; A173-T178 HydrophobicContact CB-CG2 3.87Å
174	N	62.1	Low	77.2	Confident	104 Å²	104	74.3 Å²	74.3	56%	0.556	38%	0.384	S	S	*	.			trans	-62.3	133.6	-179.2	-67	-61.3	0	0	0	110.3	Q176 E177 T178	N174-Q176 PolarHBondContact O-N 2.95Å; N174-E177 HydrophobicContact CB-CG 4.27Å; N174-E177 WeakPolarHBondContact CB-OE2 3.37Å; N174-E177 PolarHBondContact ND2-OE2 3.29Å; N174-E177 PolarHBondContact O-N 3.47Å; N174-T178 PolarHBondContact O-N 2.69Å; N174-T178 VanDerWaalsContact O-N 3.15Å
175	A	56.1	Low	77	Confident	91 Å²	91	74.1 Å²	74.1	75%	0.752	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-10.1	179.8	0	0	0	0	0	114.5	A173 T178	A173-A175 PolarHBondContact O-N 3.47Å; A175-T178 WeakPolarHBondContact CA-OG1 3.46Å; A175-T178 PolarHBondContact O-OG1 3.38Å
176	Q	50.4	Low	77	Confident	194 Å²	194	68.7 Å²	68.7	91%	0.907	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-14.1	174.7	-64.4	-179.5	-48.1	0	0	113.5	N174	N174-Q176 PolarHBondContact O-N 2.95Å
177	E	46.4	Very low	77.2	Confident	146 Å²	146	67.5 Å²	67.5	68%	0.682	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-28.1	177.5	-63.7	177.4	126.1	0	0	111.4	N174 M179	N174-E177 HydrophobicContact CB-CG 4.27Å; N174-E177 WeakPolarHBondContact CB-OE2 3.37Å; N174-E177 PolarHBondContact ND2-OE2 3.29Å; N174-E177 PolarHBondContact O-N 3.47Å; E177-M179 PolarHBondContact O-N 2.9Å
178	T	51.6	Low	77.3	Confident	27 Å²	27	67.5 Å²	67.5	17%	0.166	35%	0.353	C	S	.	.	S	Bend	trans	-67.3	120.4	171.2	50.7	0	0	0	0	111.4	A173 N174 A175 A182	A173-T178 HydrophobicContact CB-CG2 3.87Å; N174-T178 PolarHBondContact O-N 2.69Å; N174-T178 VanDerWaalsContact O-N 3.15Å; A175-T178 WeakPolarHBondContact CA-OG1 3.46Å; A175-T178 PolarHBondContact O-OG1 3.38Å; T178-A182 HydrophobicContact CG2-CB 4.33Å
179	M	56.5	Low	77.4	Confident	143 Å²	143	66 Å²	66	70%	0.704	35%	0.345	S	S	*	.			trans	-53.3	143	161.1	-63.2	173.8	70.3	0	0	109.6	E177 N181 A182	E177-M179 PolarHBondContact O-N 2.9Å; M179-N181 PolarHBondContact O-N 2.95Å; M179-A182 VanDerWaalsContact O-CB 3.27Å; M179-A182 WeakPolarHBondContact O-CB 3.03Å; M179-A182 PolarHBondContact O-N 3.18Å
180	E	57.6	Low	77.7	Confident	134 Å²	134	59.8 Å²	59.8	63%	0.626	32%	0.316	S	S	*	.	H	α-helix	trans	-54	-28.6	-176.2	-170.3	162.8	-153	0	0	113.9	A182	E180-A182 VanDerWaalsContact C-N 3.28Å; E180-A182 PolarHBondContact O-N 3.29Å
181	N	74.7	Confident	78.1	Confident	99 Å²	99	56.7 Å²	56.7	53%	0.529	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-27.1	172.3	-68.6	-47.9	0	0	0	114.7	M179 A185	M179-N181 PolarHBondContact O-N 2.95Å; N181-A185 PolarHBondContact O-N 2.9Å
182	A	83.9	Confident	78.5	Confident	10 Å²	10	56.7 Å²	56.7	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-74.1	-49.7	-175.1	0	0	0	0	0	111.8	W166 T178 M179 E180 N184 A185 L186	W166-A182 HydrophobicContact CH2-CB 3.81Å; W166-A182 HydrophobicContact CZ2-CB 3.76Å; T178-A182 HydrophobicContact CG2-CB 4.33Å; M179-A182 VanDerWaalsContact O-CB 3.27Å; M179-A182 WeakPolarHBondContact O-CB 3.03Å; M179-A182 PolarHBondContact O-N 3.18Å; E180-A182 VanDerWaalsContact C-N 3.28Å; E180-A182 PolarHBondContact O-N 3.29Å; A182-N184 PolarHBondContact O-N 3.38Å; A182-A185 WeakPolarHBondContact O-CB 3.16Å; A182-A185 PolarHBondContact O-N 3.04Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 2.96Å
183	E	89.2	Confident	79.2	Confident	56 Å²	56	52 Å²	52	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-39	174.3	-177.9	63.4	-170.7	0	0	110.5	L129 R133 A185 L186 R187	L129-E183 WeakPolarHBondContact CD2-OE1 3.12Å; R133-E183 IonicContact CZ-OE1 3.77Å; R133-E183 IonicContact CZ-OE2 3.44Å; R133-E183 IonicContact NH1-OE1 3.97Å; R133-E183 PolarHBondContact NH1-OE1 3.18Å; R133-E183 IonicContact NH1-OE2 2.71Å; R133-E183 PolarHBondContact NH1-OE2 3.44Å; R133-E183 VanDerWaalsContact NH1-OE2 3.1Å; R133-E183 IonicContact NH2-OE1 3.91Å; R133-E183 IonicContact NH2-OE2 3.36Å; R133-E183 PolarHBondContact NH2-OE2 2.64Å; E183-A185 PolarHBondContact O-N 2.87Å; E183-L186 PolarHBondContact O-N 2.94Å; E183-R187 HydrophobicContact CG-CG 4.49Å; E183-R187 WeakPolarHBondContact O-CB 3.45Å; E183-R187 WeakPolarHBondContact O-CD 3.44Å; E183-R187 WeakPolarHBondContact O-CG 3.28Å; E183-R187 PolarHBondContact O-N 3.48Å
184	N	91.1	Very high	80.1	Confident	11 Å²	11	50.5 Å²	50.5	6%	0.059	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-40.8	173.3	-171.4	38.1	0	0	0	113	A182 R187 L188 N216 P238	A182-N184 PolarHBondContact O-N 3.38Å; N184-R187 PolarHBondContact O-N 3.39Å; N184-L188 WeakPolarHBondContact O-CB 3.35Å; N184-L188 VanDerWaalsContact O-CG 3.29Å; N184-L188 WeakPolarHBondContact O-CG 3.39Å; N184-L188 PolarHBondContact O-N 2.85Å; N184-N216 PolarHBondContact ND2-ND2 3.18Å; N184-N216 PolarHBondContact ND2-OD1 3.48Å; N184-N216 PolarHBondContact OD1-ND2 2.68Å; N184-P238 WeakPolarHBondContact ND2-CG 3.32Å
185	A	91.2	Very high	81.8	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-42.2	176.3	0	0	0	0	0	112.5	W157 W166 N181 A182 E183 R187 L188 L189	W157-A185 HydrophobicContact CH2-CB 4.13Å; W166-A185 HydrophobicContact CH2-CB 3.87Å; W166-A185 HydrophobicContact CZ3-CB 3.76Å; N181-A185 PolarHBondContact O-N 2.9Å; A182-A185 WeakPolarHBondContact O-CB 3.16Å; A182-A185 PolarHBondContact O-N 3.04Å; E183-A185 PolarHBondContact O-N 2.87Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 3.06Å; A185-L188 PolarHBondContact O-N 3.01Å; A185-L189 WeakPolarHBondContact O-CB 3.42Å; A185-L189 PolarHBondContact O-N 3.3Å
186	L	93.8	Very high	83.7	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-44.7	173.9	-61.9	178.9	0	0	0	111.5	L129 F139 W166 A167 A182 E183 L189 L190	L129-L186 HydrophobicContact CD1-CB 4.45Å; L129-L186 HydrophobicContact CD2-CB 4.14Å; F139-L186 HydrophobicContact CE2-CD2 4.02Å; W166-L186 HydrophobicContact CH2-CD2 4.34Å; W166-L186 HydrophobicContact CH2-CG 4.46Å; W166-L186 HydrophobicContact CZ3-CD2 3.89Å; W166-L186 HydrophobicContact CZ3-CG 4.38Å; A167-L186 HydrophobicContact CB-CD2 3.54Å; A167-L186 WeakPolarHBondContact O-CD2 3.46Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 2.96Å; E183-L186 PolarHBondContact O-N 2.94Å; L186-L189 PolarHBondContact O-N 3.14Å; L186-L190 PolarHBondContact O-N 2.67Å
187	R	95.7	Very high	85.9	Confident	28 Å²	28	37.2 Å²	37.2	11%	0.106	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-44.3	178.3	-70	166.7	68.2	77.7	5.6	112.1	G5 V7 T122 V125 S126 L129 E183 N184 A185 L190 G191	G5-R187 PolarHBondContact O-NE 2.94Å; G5-R187 PolarHBondContact O-NH2 3.04Å; V7-R187 HydrophobicContact CG2-CB 3.91Å; T122-R187 PolarHBondContact O-NH2 2.83Å; T122-R187 VanDerWaalsContact O-NH2 3.15Å; V125-R187 HydrophobicContact CG1-CB 3.64Å; V125-R187 HydrophobicContact CG1-CG 3.88Å; V125-R187 WeakPolarHBondContact CG1-O 3.37Å; S126-R187 PolarHBondContact OG-NH1 3.22Å; S126-R187 PolarHBondContact OG-NH2 2.58Å; S126-R187 VanDerWaalsContact OG-NH2 3.16Å; L129-R187 HydrophobicContact CD2-CG 3.74Å; E183-R187 HydrophobicContact CG-CG 4.49Å; E183-R187 WeakPolarHBondContact O-CB 3.45Å; E183-R187 WeakPolarHBondContact O-CD 3.44Å; E183-R187 WeakPolarHBondContact O-CG 3.28Å; E183-R187 PolarHBondContact O-N 3.48Å; N184-R187 PolarHBondContact O-N 3.39Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 3.06Å; R187-L190 PolarHBondContact O-N 2.83Å; R187-G191 PolarHBondContact O-N 3.13Å
188	L	96.1	Very high	88.3	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-39.2	176.2	-72.4	169.2	0	0	0	112.4	V7 N184 A185 G191 C192 I214 L235 V237	V7-L188 HydrophobicContact CG1-CD2 4.37Å; V7-L188 HydrophobicContact CG2-CD2 4.29Å; N184-L188 WeakPolarHBondContact O-CB 3.35Å; N184-L188 VanDerWaalsContact O-CG 3.29Å; N184-L188 WeakPolarHBondContact O-CG 3.39Å; N184-L188 PolarHBondContact O-N 2.85Å; A185-L188 PolarHBondContact O-N 3.01Å; L188-G191 CarbonylContact O-C 3.58Å; L188-G191 WeakPolarHBondContact O-CA 3.29Å; L188-G191 PolarHBondContact O-N 3.01Å; L188-G191 VanDerWaalsContact O-N 3.14Å; L188-C192 PolarHBondContact O-N 2.72Å; L188-C192 PolarHBondContact O-SG 3.21Å; L188-I214 HydrophobicContact CD2-CG2 4.17Å; L188-L235 HydrophobicContact CB-CD1 3.81Å; L188-V237 HydrophobicContact CD1-CG1 3.93Å
189	L	96	Very high	90.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-43.8	175.9	-175.5	64.1	0	0	0	111.8	F139 L144 M160 L163 V164 A167 A185 L186 G191 C192 I193	F139-L189 HydrophobicContact CB-CD2 4.36Å; F139-L189 HydrophobicContact CD1-CD2 3.84Å; F139-L189 HydrophobicContact CD1-CG 4.08Å; F139-L189 HydrophobicContact CD2-CD2 4.09Å; F139-L189 HydrophobicContact CE1-CB 4.47Å; F139-L189 HydrophobicContact CE1-CD2 4.09Å; F139-L189 HydrophobicContact CE1-CG 4.18Å; F139-L189 HydrophobicContact CE2-CD2 4.33Å; F139-L189 HydrophobicContact CG-CD2 3.84Å; F139-L189 HydrophobicContact CZ-CD2 4.33Å; L144-L189 HydrophobicContact CD1-CD1 3.57Å; L144-L189 HydrophobicContact CD1-CG 4.28Å; L144-L189 HydrophobicContact CD2-CD1 4.24Å; M160-L189 HydrophobicContact CE-CD1 3.56Å; L163-L189 HydrophobicContact CD2-CD1 3.95Å; L163-L189 HydrophobicContact CG-CD1 4.15Å; L163-L189 HydrophobicContact CG-CD2 4.46Å; V164-L189 HydrophobicContact CG2-CD1 4.34Å; V164-L189 HydrophobicContact CG2-CD2 4.39Å; A167-L189 HydrophobicContact CB-CD2 3.37Å; A185-L189 WeakPolarHBondContact O-CB 3.42Å; A185-L189 PolarHBondContact O-N 3.3Å; L186-L189 PolarHBondContact O-N 3.14Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 2.91Å; L189-C192 VanDerWaalsContact O-CB 3.32Å; L189-C192 WeakPolarHBondContact O-CB 3.16Å; L189-C192 PolarHBondContact O-N 3.24Å; L189-C192 VanDerWaalsContact O-N 3.1Å; L189-I193 PolarHBondContact O-N 3Å
190	L	97.1	Very high	92.4	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-36.3	173.2	-170.7	54.4	0	0	0	111.8	V125 E128 L129 L132 F139 L186 R187 C192 I193 L194	V125-L190 HydrophobicContact CG1-CB 4.37Å; V125-L190 HydrophobicContact CG1-CD2 4.32Å; E128-L190 HydrophobicContact CB-CD2 3.71Å; E128-L190 HydrophobicContact CB-CG 4.44Å; L129-L190 HydrophobicContact CB-CD2 3.66Å; L129-L190 HydrophobicContact CD1-CD2 4.37Å; L129-L190 VanDerWaalsContact N-CD2 3.32Å; L132-L190 HydrophobicContact CD1-CD1 4.44Å; F139-L190 HydrophobicContact CE1-CB 4.07Å; F139-L190 HydrophobicContact CE1-CD1 4.34Å; L186-L190 PolarHBondContact O-N 2.67Å; R187-L190 PolarHBondContact O-N 2.83Å; L190-C192 PolarHBondContact O-N 3.29Å; L190-I193 HydrophobicContact CD1-CB 4.46Å; L190-I193 PolarHBondContact O-N 2.97Å; L190-I193 VanDerWaalsContact O-N 3.11Å; L190-L194 WeakPolarHBondContact O-CG 3.32Å; L190-L194 PolarHBondContact O-N 3.28Å
191	G	97.9	Very high	94.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.3	-36	169.1	0	0	0	0	0	113.6	R187 L188 L189 A195	R187-G191 PolarHBondContact O-N 3.13Å; L188-G191 CarbonylContact O-C 3.58Å; L188-G191 WeakPolarHBondContact O-CA 3.29Å; L188-G191 PolarHBondContact O-N 3.01Å; L188-G191 VanDerWaalsContact O-N 3.14Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 2.91Å; G191-A195 VanDerWaalsContact O-CB 3.25Å; G191-A195 WeakPolarHBondContact O-CB 3.06Å; G191-A195 PolarHBondContact O-N 2.84Å
192	C	98.4	Very high	95.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.2	-40.9	173.2	-63.9	0	0	0	0	112.7	L144 T147 L188 L189 L190 A195 N196 Q233	L144-C192 HydrophobicContact CD2-CB 3.52Å; T147-C192 HydrophobicContact CG2-CB 3.92Å; L188-C192 PolarHBondContact O-N 2.72Å; L188-C192 PolarHBondContact O-SG 3.21Å; L189-C192 VanDerWaalsContact O-CB 3.32Å; L189-C192 WeakPolarHBondContact O-CB 3.16Å; L189-C192 PolarHBondContact O-N 3.24Å; L189-C192 VanDerWaalsContact O-N 3.1Å; L190-C192 PolarHBondContact O-N 3.29Å; C192-A195 PolarHBondContact O-N 2.89Å; C192-N196 PolarHBondContact O-N 2.72Å; C192-Q233 PolarHBondContact O-NE2 3.37Å
193	I	97.7	Very high	96	Very high	5 Å²	5	22 Å²	22	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-47.9	175.5	-63.5	-176.4	0	0	0	110.1	F139 D143 L144 L189 L190 A195 N196 R197	F139-I193 HydrophobicContact CD1-CD1 3.89Å; D143-I193 HydrophobicContact CB-CD1 4.25Å; D143-I193 HydrophobicContact CB-CG1 4.13Å; D143-I193 HydrophobicContact CB-CG2 4.08Å; L144-I193 HydrophobicContact CD1-CG1 4.37Å; L144-I193 HydrophobicContact CD2-CG1 3.74Å; L144-I193 HydrophobicContact CG-CG1 3.92Å; L189-I193 PolarHBondContact O-N 3Å; L190-I193 HydrophobicContact CD1-CB 4.46Å; L190-I193 PolarHBondContact O-N 2.97Å; L190-I193 VanDerWaalsContact O-N 3.11Å; I193-A195 PolarHBondContact O-N 2.7Å; I193-N196 PolarHBondContact O-N 2.8Å; I193-R197 WeakPolarHBondContact O-CG 3.37Å; I193-R197 PolarHBondContact O-N 3.02Å
194	L	97.6	Very high	96.4	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-44.3	176.4	-66.6	174.1	0	0	0	111.9	L121 L124 V125 L190 N196 R197 F198	L121-L194 HydrophobicContact CD1-CB 4.01Å; L121-L194 HydrophobicContact CD1-CD1 4.31Å; L124-L194 HydrophobicContact CD2-CD1 3.96Å; L124-L194 HydrophobicContact CD2-CD2 4.34Å; L124-L194 HydrophobicContact CG-CD1 3.97Å; V125-L194 HydrophobicContact CG2-CD1 3.67Å; L190-L194 WeakPolarHBondContact O-CG 3.32Å; L190-L194 PolarHBondContact O-N 3.28Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-N196 PolarHBondContact O-N 2.73Å; L194-R197 WeakPolarHBondContact O-CB 3.42Å; L194-R197 PolarHBondContact O-N 3.24Å; L194-R197 VanDerWaalsContact O-N 3.14Å; L194-F198 HydrophobicContact CB-CE2 3.92Å; L194-F198 HydrophobicContact CB-CZ 3.93Å; L194-F198 HydrophobicContact CD2-CZ 4.4Å; L194-F198 WeakPolarHBondContact O-CD1 3.34Å; L194-F198 VanDerWaalsContact O-CD2 3.26Å; L194-F198 WeakPolarHBondContact O-CD2 3.22Å; L194-F198 WeakPolarHBondContact O-CG 3.46Å; L194-F198 PolarHBondContact O-N 3.4Å
195	A	97.9	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-41.1	175.3	0	0	0	0	0	112.6	V9 G191 C192 I193 F198 R199 I214	V9-A195 HydrophobicContact CG1-CB 3.94Å; V9-A195 HydrophobicContact CG2-CB 4.38Å; G191-A195 VanDerWaalsContact O-CB 3.25Å; G191-A195 WeakPolarHBondContact O-CB 3.06Å; G191-A195 PolarHBondContact O-N 2.84Å; C192-A195 PolarHBondContact O-N 2.89Å; I193-A195 PolarHBondContact O-N 2.7Å; A195-F198 PolarHBondContact O-N 3.11Å; A195-R199 WeakPolarHBondContact O-CB 3.42Å; A195-R199 WeakPolarHBondContact O-CD 3.19Å; A195-R199 WeakPolarHBondContact O-CG 3.42Å; A195-R199 PolarHBondContact O-N 3.43Å; A195-I214 HydrophobicContact CB-CD1 4.12Å; A195-I214 HydrophobicContact CB-CG1 4.06Å
196	N	97.1	Very high	97	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.064	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-38.2	174.2	-87.6	-22.5	0	0	0	112.4	D143 T147 C192 I193 L194 R199 R200 Q233	D143-N196 PolarHBondContact O-ND2 2.9Å; T147-N196 PolarHBondContact OG1-ND2 2.8Å; C192-N196 PolarHBondContact O-N 2.72Å; I193-N196 PolarHBondContact O-N 2.8Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-N196 PolarHBondContact O-N 2.73Å; N196-R199 PolarHBondContact OD1-NH1 3.33Å; N196-R200 WeakPolarHBondContact O-CB 3.25Å; N196-R200 PolarHBondContact O-N 3.08Å; N196-R200 VanDerWaalsContact O-N 3.08Å; N196-Q233 PolarHBondContact ND2-NE2 3.06Å; N196-Q233 PolarHBondContact OD1-NE2 3.4Å; N196-Q233 PolarHBondContact OD1-OE1 3.16Å; N196-Q233 VanDerWaalsContact OD1-OE1 3.14Å
197	R	96.2	Very high	97.1	Very high	97 Å²	97	33.1 Å²	33.1	37%	0.366	16%	0.155	S	C	.	.	H	α-helix	trans	-61.5	-48.7	172.9	-67.8	173.4	-174.7	173.3	3.8	110.8	E128 D143 I193 L194 R199 R200 S201	E128-R197 IonicContact OE2-NH1 3.1Å; D143-R197 IonicContact OD2-NH2 3.62Å; I193-R197 WeakPolarHBondContact O-CG 3.37Å; I193-R197 PolarHBondContact O-N 3.02Å; L194-R197 WeakPolarHBondContact O-CB 3.42Å; L194-R197 PolarHBondContact O-N 3.24Å; L194-R197 VanDerWaalsContact O-N 3.14Å; R197-R199 PolarHBondContact O-N 3.01Å; R197-R200 VanDerWaalsContact O-CB 3.3Å; R197-R200 WeakPolarHBondContact O-CB 3.27Å; R197-R200 PolarHBondContact O-N 2.71Å; R197-R200 VanDerWaalsContact O-N 3.15Å; R197-S201 PolarHBondContact O-N 2.77Å; R197-S201 PolarHBondContact O-OG 2.75Å
198	F	96.7	Very high	97.2	Very high	16 Å²	16	31.8 Å²	31.8	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-41.4	-179.2	-52.8	-28.9	0	0	0	113	L105 I107 L119 L121 L124 L194 A195 R200 S201 I202	L105-F198 HydrophobicContact CD1-CB 4.01Å; L105-F198 HydrophobicContact CD1-CD1 3.46Å; L105-F198 VanDerWaalsContact CD1-CD1 3.46Å; L105-F198 HydrophobicContact CD1-CD2 3.97Å; L105-F198 HydrophobicContact CD1-CE1 3.85Å; L105-F198 HydrophobicContact CD1-CE2 4.31Å; L105-F198 HydrophobicContact CD1-CG 3.53Å; L105-F198 HydrophobicContact CD1-CZ 4.26Å; L105-F198 HydrophobicContact CD2-CD1 3.61Å; L105-F198 HydrophobicContact CD2-CE1 3.77Å; L105-F198 HydrophobicContact CD2-CG 4.5Å; L105-F198 HydrophobicContact CG-CD1 4.13Å; L105-F198 HydrophobicContact CG-CE1 4.25Å; I107-F198 HydrophobicContact CD1-CE2 4.04Å; I107-F198 HydrophobicContact CD1-CZ 4.33Å; L119-F198 HydrophobicContact CD1-CD2 4.01Å; L121-F198 HydrophobicContact CD1-CE2 3.9Å; L121-F198 HydrophobicContact CD2-CE2 3.69Å; L121-F198 HydrophobicContact CD2-CZ 4.39Å; L121-F198 HydrophobicContact CG-CE2 4.5Å; L124-F198 HydrophobicContact CD2-CZ 3.96Å; L194-F198 HydrophobicContact CB-CE2 3.92Å; L194-F198 HydrophobicContact CB-CZ 3.93Å; L194-F198 HydrophobicContact CD2-CZ 4.4Å; L194-F198 WeakPolarHBondContact O-CD1 3.34Å; L194-F198 VanDerWaalsContact O-CD2 3.26Å; L194-F198 WeakPolarHBondContact O-CD2 3.22Å; L194-F198 WeakPolarHBondContact O-CG 3.46Å; L194-F198 PolarHBondContact O-N 3.4Å; A195-F198 PolarHBondContact O-N 3.11Å; F198-R200 PolarHBondContact O-N 3.16Å; F198-S201 PolarHBondContact O-N 3.03Å; F198-I202 WeakPolarHBondContact O-CG1 3.22Å; F198-I202 PolarHBondContact O-N 2.86Å
199	R	97.8	Very high	97.3	Very high	17 Å²	17	36.4 Å²	36.4	6%	0.064	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-36.3	173.3	-70.1	168.7	68.3	-122.3	-14.5	111.9	A195 N196 R197 F203 A210 A212 N231	A195-R199 WeakPolarHBondContact O-CB 3.42Å; A195-R199 WeakPolarHBondContact O-CD 3.19Å; A195-R199 WeakPolarHBondContact O-CG 3.42Å; A195-R199 PolarHBondContact O-N 3.43Å; N196-R199 PolarHBondContact OD1-NH1 3.33Å; R197-R199 PolarHBondContact O-N 3.01Å; R199-F203 PolarHBondContact O-N 3.44Å; R199-F203 VanDerWaalsContact O-N 3.14Å; R199-A210 PolarHBondContact NE-O 2.57Å; R199-A210 PolarHBondContact NH2-O 2.97Å; R199-A212 HydrophobicContact CG-CB 4.44Å; R199-N231 PolarHBondContact NH2-O 2.9Å
200	R	96.8	Very high	97.4	Very high	108 Å²	108	36.4 Å²	36.4	41%	0.408	17%	0.168	S	C	.	.	H	α-helix	trans	-66	-49.4	174.5	-163.7	-172.7	-58.5	175	5	111.2	N196 R197 F198 I202 F203 E204	N196-R200 WeakPolarHBondContact O-CB 3.25Å; N196-R200 PolarHBondContact O-N 3.08Å; N196-R200 VanDerWaalsContact O-N 3.08Å; R197-R200 VanDerWaalsContact O-CB 3.3Å; R197-R200 WeakPolarHBondContact O-CB 3.27Å; R197-R200 PolarHBondContact O-N 2.71Å; R197-R200 VanDerWaalsContact O-N 3.15Å; F198-R200 PolarHBondContact O-N 3.16Å; R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 2.98Å; R200-F203 PolarHBondContact O-N 3.1Å; R200-E204 WeakPolarHBondContact CD-OE1 3.17Å; R200-E204 HydrophobicContact CG-CG 4.39Å; R200-E204 WeakPolarHBondContact CG-OE1 3.3Å; R200-E204 WeakPolarHBondContact O-CG 3.24Å; R200-E204 PolarHBondContact O-N 3.31Å
201	S	97.2	Very high	97.5	Very high	40 Å²	40	36.3 Å²	36.3	28%	0.28	17%	0.167	S	C	.	.	H	α-helix	trans	-61.5	-36.2	178.3	-53.8	0	0	0	0	113.6	R197 F198 T205	R197-S201 PolarHBondContact O-N 2.77Å; R197-S201 PolarHBondContact O-OG 2.75Å; F198-S201 PolarHBondContact O-N 3.03Å; S201-T205 VanDerWaalsContact O-CB 3.3Å; S201-T205 WeakPolarHBondContact O-CB 3.23Å; S201-T205 PolarHBondContact O-N 3.39Å; S201-T205 PolarHBondContact O-OG1 3.37Å
202	I	97.5	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-49	171.6	-67.2	165	0	0	0	110.1	V11 M13 V98 V101 L102 F198 R200 T205 T206	V11-I202 HydrophobicContact CG1-CD1 4.08Å; M13-I202 HydrophobicContact CE-CG2 3.7Å; M13-I202 HydrophobicContact SD-CG2 4.18Å; V98-I202 HydrophobicContact CG1-CD1 4.28Å; V98-I202 HydrophobicContact CG1-CG1 4.47Å; V98-I202 HydrophobicContact CG1-CG2 4.21Å; V98-I202 HydrophobicContact CG2-CG2 4.19Å; V101-I202 HydrophobicContact CB-CG1 4.37Å; V101-I202 HydrophobicContact CG1-CG1 3.84Å; L102-I202 HydrophobicContact CD2-CD1 3.96Å; L102-I202 HydrophobicContact CG-CD1 4.18Å; F198-I202 WeakPolarHBondContact O-CG1 3.22Å; F198-I202 PolarHBondContact O-N 2.86Å; R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 2.98Å; I202-T205 PolarHBondContact O-N 2.89Å; I202-T206 WeakPolarHBondContact O-CB 3.39Å; I202-T206 PolarHBondContact O-N 3.5Å; I202-T206 PolarHBondContact O-OG1 3.03Å
203	F	97.8	Very high	97.5	Very high	58 Å²	58	36.3 Å²	36.3	25%	0.254	17%	0.167	S	C	.	.	H	α-helix	trans	-63.5	-45.5	179.6	177.9	-102.7	0	0	0	112.2	R199 R200 T205 Q207 F208 R209	R199-F203 PolarHBondContact O-N 3.44Å; R199-F203 VanDerWaalsContact O-N 3.14Å; R200-F203 PolarHBondContact O-N 3.1Å; F203-T205 PolarHBondContact O-N 3.35Å; F203-Q207 WeakPolarHBondContact O-CA 3.16Å; F203-Q207 PolarHBondContact O-N 3.04Å; F203-Q207 PolarHBondContact O-NE2 3.36Å; F203-F208 WeakPolarHBondContact CA-O 3.39Å; F203-R209 HydrophobicContact CD2-CG 3.8Å; F203-R209 HydrophobicContact CE2-CG 4.03Å
204	E	97.7	Very high	97.6	Very high	115 Å²	115	36.1 Å²	36.1	54%	0.537	17%	0.166	S	C	.	.	H	α-helix	trans	-59.7	-45	178.7	-72.9	163.9	165.8	0	0	111.5	R200 Q207	R200-E204 WeakPolarHBondContact CD-OE1 3.17Å; R200-E204 HydrophobicContact CG-CG 4.39Å; R200-E204 WeakPolarHBondContact CG-OE1 3.3Å; R200-E204 WeakPolarHBondContact O-CG 3.24Å; R200-E204 PolarHBondContact O-N 3.31Å; E204-Q207 PolarHBondContact O-NE2 3.05Å; E204-Q207 VanDerWaalsContact O-NE2 3.13Å
205	T	96.8	Very high	97.6	Very high	97 Å²	97	35.8 Å²	35.8	60%	0.595	17%	0.165	S	C	*	.	H	α-helix	trans	-78.2	-42.2	-176.6	-55	0	0	0	0	113.1	V101 S201 I202 F203	V101-T205 HydrophobicContact CG2-CG2 3.6Å; S201-T205 VanDerWaalsContact O-CB 3.3Å; S201-T205 WeakPolarHBondContact O-CB 3.23Å; S201-T205 PolarHBondContact O-N 3.39Å; S201-T205 PolarHBondContact O-OG1 3.37Å; I202-T205 PolarHBondContact O-N 2.89Å; F203-T205 PolarHBondContact O-N 3.35Å
206	T	96.6	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-109.2	-12.2	-167.8	71.7	0	0	0	0	114.2	R23 E97 V98 V101 I202 F208	R23-T206 WeakPolarHBondContact CD-O 3.27Å; R23-T206 PolarHBondContact NH1-O 3.23Å; E97-T206 HydrophobicContact CB-CG2 3.93Å; V98-T206 HydrophobicContact CG2-CG2 4.19Å; V101-T206 HydrophobicContact CG2-CG2 4.33Å; I202-T206 WeakPolarHBondContact O-CB 3.39Å; I202-T206 PolarHBondContact O-N 3.5Å; I202-T206 PolarHBondContact O-OG1 3.03Å; T206-F208 HydrophobicContact CG2-CD2 4.47Å; T206-F208 PolarHBondContact O-N 2.74Å; T206-F208 WeakPolarHBondContact OG1-CB 3.48Å; T206-F208 VanDerWaalsContact OG1-CD2 3.28Å; T206-F208 WeakPolarHBondContact OG1-CD2 3.43Å; T206-F208 PolarHBondContact OG1-N 2.66Å
207	Q	97.1	Very high	97.5	Very high	93 Å²	93	36.5 Å²	36.5	44%	0.435	17%	0.168	S	C	.	.			trans	60.7	16.5	-168.5	-56.5	-61.7	-59.2	0	0	114.6	R23 F203 E204	R23-Q207 HydrophobicContact CG-CB 4.45Å; F203-Q207 WeakPolarHBondContact O-CA 3.16Å; F203-Q207 PolarHBondContact O-N 3.04Å; F203-Q207 PolarHBondContact O-NE2 3.36Å; E204-Q207 PolarHBondContact O-NE2 3.05Å; E204-Q207 VanDerWaalsContact O-NE2 3.13Å
208	F	97.9	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.			trans	-101.5	135	175.4	-53.4	-41.9	0	0	0	112.4	M13 F16 Q19 V20 R23 A94 V98 F203 T206	M13-F208 HydrophobicContact CE-CB 3.3Å; M13-F208 HydrophobicContact CE-CD2 4.47Å; M13-F208 HydrophobicContact CE-CG 4.32Å; F16-F208 HydrophobicContact CE2-CD2 4.08Å; F16-F208 HydrophobicContact CE2-CE2 4.1Å; Q19-F208 HydrophobicContact CB-CD1 3.92Å; Q19-F208 HydrophobicContact CB-CE1 4.48Å; V20-F208 HydrophobicContact CB-CE1 4.45Å; V20-F208 HydrophobicContact CB-CZ 4.43Å; V20-F208 HydrophobicContact CG2-CE1 4Å; V20-F208 HydrophobicContact CG2-CE2 4.43Å; V20-F208 HydrophobicContact CG2-CZ 3.75Å; R23-F208 HydrophobicContact CB-CE1 3.97Å; R23-F208 HydrophobicContact CG-CE1 4.41Å; R23-F208 VanDerWaalsContact NH1-CZ 3.27Å; A94-F208 HydrophobicContact CB-CE2 3.71Å; A94-F208 HydrophobicContact CB-CZ 3.78Å; V98-F208 HydrophobicContact CG2-CD2 3.87Å; F203-F208 WeakPolarHBondContact CA-O 3.39Å; T206-F208 HydrophobicContact CG2-CD2 4.47Å; T206-F208 PolarHBondContact O-N 2.74Å; T206-F208 WeakPolarHBondContact OG1-CB 3.48Å; T206-F208 VanDerWaalsContact OG1-CD2 3.28Å; T206-F208 WeakPolarHBondContact OG1-CD2 3.43Å; T206-F208 PolarHBondContact OG1-N 2.66Å
209	R	97.9	Very high	97.6	Very high	96 Å²	96	31.3 Å²	31.3	36%	0.362	15%	0.149	S	C	.	.			trans	-84.8	143.6	172.7	-61.3	-177.7	176.9	-69.1	-7.4	111.1	M13 D14 Q19 F203 N231	M13-R209 WeakPolarHBondContact CE-O 3.35Å; D14-R209 PolarHBondContact N-O 3.21Å; Q19-R209 PolarHBondContact NE2-O 2.86Å; F203-R209 HydrophobicContact CD2-CG 3.8Å; F203-R209 HydrophobicContact CE2-CG 4.03Å; R209-N231 HydrophobicContact CB-CB 4.38Å; R209-N231 WeakPolarHBondContact CB-OD1 3.49Å; R209-N231 VanDerWaalsContact CD-OD1 3.3Å; R209-N231 WeakPolarHBondContact CD-OD1 3.4Å; R209-N231 WeakPolarHBondContact CG-OD1 3.49Å; R209-N231 PolarHBondContact NH1-OD1 3.5Å
210	A	98.2	Very high	97.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.9	176.7	0	0	0	0	0	110.8	V11 M13 R199	V11-A210 HydrophobicContact CG1-CB 3.78Å; M13-A210 HydrophobicContact CE-CB 4.03Å; M13-A210 HydrophobicContact SD-CB 3.62Å; R199-A210 PolarHBondContact NE-O 2.57Å; R199-A210 PolarHBondContact NH2-O 2.97Å
211	S	98.7	Very high	97.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	155.1	165	-64.7	0	0	0	0	110	D12 D14 N231 K232	D12-S211 PolarHBondContact N-O 2.77Å; D12-S211 PolarHBondContact O-N 3.16Å; D14-S211 PolarHBondContact OD1-OG 3.12Å; D14-S211 PolarHBondContact OD2-N 2.58Å; D14-S211 PolarHBondContact OD2-OG 2.91Å; S211-N231 PolarHBondContact OG-N 3.34Å; S211-K232 WeakPolarHBondContact CA-O 3.4Å; S211-K232 WeakPolarHBondContact CB-O 3.44Å
212	A	98.8	Very high	97.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.1	178	0	0	0	0	0	114.2	V9 L10 V11 R199 K232 Q233 T234	V9-A212 HydrophobicContact CG1-CB 4.19Å; L10-A212 CarbonylContact O-C 3.45Å; L10-A212 WeakPolarHBondContact O-CA 3.45Å; V11-A212 HydrophobicContact CG2-CB 4.35Å; R199-A212 HydrophobicContact CG-CB 4.44Å; A212-K232 PolarHBondContact N-O 3.13Å; A212-K232 VanDerWaalsContact N-O 3.17Å; A212-Q233 HydrophobicContact CB-CB 3.84Å; A212-Q233 CarbonylContact O-C 3.57Å; A212-Q233 WeakPolarHBondContact O-CA 3.4Å; A212-Q233 WeakPolarHBondContact O-CB 3.47Å; A212-T234 PolarHBondContact O-N 3.16Å
213	G	98.6	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135	170.3	0	0	0	0	0	110.5	V9 L10 A221 T234	V9-G213 CarbonylContact C-O 3.56Å; V9-G213 VanDerWaalsContact CA-O 3.3Å; V9-G213 WeakPolarHBondContact CA-O 3.38Å; L10-G213 PolarHBondContact N-O 3.18Å; L10-G213 PolarHBondContact O-N 3.36Å; G213-A221 WeakPolarHBondContact CA-O 3.4Å; G213-T234 CarbonylContact C-O 3.53Å; G213-T234 WeakPolarHBondContact CA-O 3.29Å
214	I	98.5	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.9	-175.3	-56	87	0	0	0	108.2	V7 V9 L188 A195 Q233 T234 L235 V236	V7-I214 HydrophobicContact CG1-CG2 4.36Å; V9-I214 HydrophobicContact CG1-CG1 4.29Å; V9-I214 HydrophobicContact CG2-CB 4.47Å; V9-I214 HydrophobicContact CG2-CG1 3.92Å; V9-I214 HydrophobicContact CG2-CG2 4.24Å; L188-I214 HydrophobicContact CD2-CG2 4.17Å; A195-I214 HydrophobicContact CB-CD1 4.12Å; A195-I214 HydrophobicContact CB-CG1 4.06Å; I214-Q233 HydrophobicContact CD1-CB 3.94Å; I214-Q233 HydrophobicContact CD1-CG 4.11Å; I214-T234 PolarHBondContact N-O 3.46Å; I214-L235 HydrophobicContact CB-CD1 4.32Å; I214-L235 HydrophobicContact CG2-CD1 4.21Å; I214-V236 PolarHBondContact O-N 2.93Å
215	A	97.4	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	-179.9	180	0	0	0	0	0	111.9	V8 N217 L220 A221 V236	V8-A215 PolarHBondContact N-O 2.91Å; V8-A215 PolarHBondContact O-N 3.06Å; A215-N217 VanDerWaalsContact C-N 3.28Å; A215-N217 PolarHBondContact O-N 3.48Å; A215-L220 HydrophobicContact CB-CB 3.43Å; A215-L220 VanDerWaalsContact CB-CB 3.43Å; A215-A221 HydrophobicContact CB-CB 4.26Å; A215-V236 HydrophobicContact CB-CB 4.12Å
216	N	96.3	Very high	97.6	Very high	19 Å²	19	17 Å²	17	10%	0.102	9%	0.089	C	C	.	.	S	Bend	trans	-76.2	-7.4	176.8	-66.2	124.5	0	0	0	115.3	R6 N184	R6-N216 PolarHBondContact NH2-O 2.96Å; R6-N216 WeakPolarHBondContact O-CA 3.44Å; R6-N216 PolarHBondContact O-ND2 3.18Å; N184-N216 PolarHBondContact ND2-ND2 3.18Å; N184-N216 PolarHBondContact ND2-OD1 3.48Å; N184-N216 PolarHBondContact OD1-ND2 2.68Å
217	N	96.9	Very high	97.5	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.043	11%	0.109	C	C	.	.	S	Bend	trans	-158.2	169.9	-178.3	61.5	60.9	0	0	0	113.6	A215 M219 L220 A221 G303 D305	A215-N217 VanDerWaalsContact C-N 3.28Å; A215-N217 PolarHBondContact O-N 3.48Å; N217-M219 PolarHBondContact OD1-N 3.03Å; N217-L220 PolarHBondContact O-N 2.71Å; N217-L220 WeakPolarHBondContact OD1-CB 3.22Å; N217-L220 WeakPolarHBondContact OD1-CG 3.23Å; N217-L220 PolarHBondContact OD1-N 2.78Å; N217-A221 VanDerWaalsContact O-CB 3.25Å; N217-A221 WeakPolarHBondContact O-CB 3.28Å; N217-A221 PolarHBondContact O-N 2.76Å; N217-G303 PolarHBondContact ND2-O 2.97Å; N217-D305 HydrophobicContact CB-CB 3.88Å; N217-D305 WeakPolarHBondContact CB-O 3.38Å; N217-D305 PolarHBondContact ND2-N 2.69Å
218	K	97.4	Very high	97.4	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-43.3	-172.3	-61.7	170.7	81.1	-180	0	112.3	V8 E110 Y118 K222 E307 P308 V309	V8-K218 HydrophobicContact CG1-CG 3.97Å; E110-K218 VanDerWaalsContact CD-NZ 3.29Å; E110-K218 IonicContact OE1-NZ 3.92Å; E110-K218 PolarHBondContact OE1-NZ 2.95Å; E110-K218 WeakPolarHBondContact OE2-CE 3.3Å; E110-K218 IonicContact OE2-NZ 2.64Å; E110-K218 PolarHBondContact OE2-NZ 3.28Å; Y118-K218 HydrophobicContact CD1-CB 3.72Å; Y118-K218 HydrophobicContact CD1-CD 4.46Å; Y118-K218 HydrophobicContact CD1-CG 3.69Å; Y118-K218 HydrophobicContact CE1-CB 3.62Å; Y118-K218 HydrophobicContact CE1-CG 4.14Å; Y118-K218 WeakPolarHBondContact CE1-O 3.37Å; Y118-K218 HydrophobicContact CG-CG 4.18Å; K218-K222 WeakPolarHBondContact O-CB 3.5Å; K218-K222 PolarHBondContact O-N 3.03Å; K218-E307 HydrophobicContact CD-CB 4.19Å; K218-E307 HydrophobicContact CD-CG 4.13Å; K218-E307 WeakPolarHBondContact CE-OE1 3.35Å; K218-E307 IonicContact NZ-OE1 2.7Å; K218-E307 PolarHBondContact NZ-OE1 2.75Å; K218-P308 WeakPolarHBondContact CD-O 3.37Å; K218-P308 PolarHBondContact NZ-O 3.21Å; K218-V309 HydrophobicContact CD-CG2 4.23Å; K218-V309 HydrophobicContact CG-CG2 4.16Å
219	M	97	Very high	97.4	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-53.4	-58	172.6	175	-174.4	64.7	0	0	112.3	N217 A221 K222 L223 F245 V253 I300 G303 D305	N217-M219 PolarHBondContact OD1-N 3.03Å; M219-A221 PolarHBondContact O-N 3.01Å; M219-K222 PolarHBondContact O-N 2.84Å; M219-L223 HydrophobicContact CG-CD1 4.21Å; M219-L223 WeakPolarHBondContact O-CG 3.34Å; M219-L223 PolarHBondContact O-N 3.29Å; M219-F245 HydrophobicContact CE-CZ 4.01Å; M219-V253 HydrophobicContact CG-CG1 4.16Å; M219-V253 HydrophobicContact SD-CG1 3.76Å; M219-I300 HydrophobicContact CE-CD1 4.16Å; M219-I300 HydrophobicContact SD-CB 4.41Å; M219-I300 HydrophobicContact SD-CD1 3.55Å; M219-I300 VanDerWaalsContact SD-CD1 3.55Å; M219-I300 HydrophobicContact SD-CG2 3.77Å; M219-G303 WeakPolarHBondContact CE-O 3.24Å; M219-D305 HydrophobicContact CB-CB 3.74Å; M219-D305 HydrophobicContact CE-CB 4.43Å; M219-D305 PolarHBondContact N-OD2 3.5Å
220	L	97.3	Very high	97.3	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-39.8	-176.4	-68.4	179.7	0	0	0	111.6	A215 N217 K222 L223 A224 V236 I241 L244 F245 G303	A215-L220 HydrophobicContact CB-CB 3.43Å; A215-L220 VanDerWaalsContact CB-CB 3.43Å; N217-L220 PolarHBondContact O-N 2.71Å; N217-L220 WeakPolarHBondContact OD1-CB 3.22Å; N217-L220 WeakPolarHBondContact OD1-CG 3.23Å; N217-L220 PolarHBondContact OD1-N 2.78Å; L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 3.42Å; L220-L223 HydrophobicContact CD2-CD1 4.44Å; L220-L223 PolarHBondContact O-N 3.34Å; L220-A224 VanDerWaalsContact O-CB 3.25Å; L220-A224 WeakPolarHBondContact O-CB 3.49Å; L220-A224 PolarHBondContact O-N 3.13Å; L220-V236 HydrophobicContact CB-CG1 4.49Å; L220-V236 HydrophobicContact CD1-CG1 4.18Å; L220-V236 HydrophobicContact CD2-CG1 4.42Å; L220-I241 HydrophobicContact CD1-CD1 3.69Å; L220-I241 HydrophobicContact CD1-CG1 3.98Å; L220-L244 HydrophobicContact CD2-CD2 4.3Å; L220-F245 HydrophobicContact CD2-CE1 3.91Å; L220-F245 HydrophobicContact CD2-CZ 4.09Å; L220-G303 WeakPolarHBondContact CD1-O 3.21Å
221	A	98.1	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-39.6	175.8	0	0	0	0	0	111.8	V8 L10 G213 A215 N217 M219 C225	V8-A221 HydrophobicContact CG1-CB 4.18Å; L10-A221 HydrophobicContact CB-CB 3.82Å; G213-A221 WeakPolarHBondContact CA-O 3.4Å; A215-A221 HydrophobicContact CB-CB 4.26Å; N217-A221 VanDerWaalsContact O-CB 3.25Å; N217-A221 WeakPolarHBondContact O-CB 3.28Å; N217-A221 PolarHBondContact O-N 2.76Å; M219-A221 PolarHBondContact O-N 3.01Å; A221-C225 WeakPolarHBondContact O-CB 3.36Å; A221-C225 PolarHBondContact O-N 3.26Å
222	K	97.7	Very high	97.2	Very high	60 Å²	60	24 Å²	24	26%	0.261	14%	0.135	S	C	.	.	H	α-helix	trans	-68.7	-39.7	176.6	-178.2	59.4	-168.1	-174.8	0	112.8	L10 D12 E116 Y118 K218 M219 L220	L10-K222 HydrophobicContact CD1-CD 3.55Å; L10-K222 HydrophobicContact CG-CB 4.23Å; L10-K222 HydrophobicContact CG-CD 3.95Å; D12-K222 IonicContact OD2-NZ 3.34Å; D12-K222 PolarHBondContact OD2-NZ 3.42Å; E116-K222 WeakPolarHBondContact OE2-CE 3.16Å; E116-K222 IonicContact OE2-NZ 3.43Å; E116-K222 PolarHBondContact OE2-NZ 2.78Å; Y118-K222 HydrophobicContact CE1-CB 4.3Å; K218-K222 WeakPolarHBondContact O-CB 3.5Å; K218-K222 PolarHBondContact O-N 3.03Å; M219-K222 PolarHBondContact O-N 2.84Å; L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 3.42Å
223	L	97.3	Very high	97.2	Very high	20 Å²	20	24 Å²	24	11%	0.105	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-52.3	173.4	-71.6	170.3	0	0	0	110.6	M219 L220 C225 G226 F245 T248 D252 V253	M219-L223 HydrophobicContact CG-CD1 4.21Å; M219-L223 WeakPolarHBondContact O-CG 3.34Å; M219-L223 PolarHBondContact O-N 3.29Å; L220-L223 HydrophobicContact CD2-CD1 4.44Å; L220-L223 PolarHBondContact O-N 3.34Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 2.92Å; L223-G226 PolarHBondContact O-N 3.37Å; L223-F245 HydrophobicContact CD1-CE1 4.14Å; L223-T248 HydrophobicContact CD1-CG2 4.24Å; L223-T248 HydrophobicContact CD2-CG2 3.91Å; L223-D252 HydrophobicContact CD2-CB 4.37Å; L223-V253 HydrophobicContact CD1-CG2 4.4Å; L223-V253 HydrophobicContact CD2-CG2 4.49Å
224	A	97.5	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.7	-44	-179.7	0	0	0	0	0	112.5	L220 G226 L227 T234 V236	L220-A224 VanDerWaalsContact O-CB 3.25Å; L220-A224 WeakPolarHBondContact O-CB 3.49Å; L220-A224 PolarHBondContact O-N 3.13Å; A224-G226 PolarHBondContact O-N 2.83Å; A224-L227 PolarHBondContact O-N 2.87Å; A224-L227 VanDerWaalsContact O-N 3.14Å; A224-T234 WeakPolarHBondContact O-CB 3.14Å; A224-T234 PolarHBondContact O-OG1 3.19Å; A224-V236 HydrophobicContact CB-CG2 3.7Å
225	C	98.1	Very high	97.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-26.9	177.4	-173.6	0	0	0	0	113.4	L10 D12 A221 L223 K229	L10-C225 HydrophobicContact CD1-CB 3.69Å; D12-C225 WeakPolarHBondContact CB-SG 3.26Å; A221-C225 WeakPolarHBondContact O-CB 3.36Å; A221-C225 PolarHBondContact O-N 3.26Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 2.92Å; C225-K229 WeakPolarHBondContact O-CE 3.37Å; C225-K229 WeakPolarHBondContact O-CG 3.43Å
226	G	95.6	Very high	97	Very high	49 Å²	49	24.1 Å²	24.1	51%	0.505	14%	0.135	S	C	.	.	H	α-helix	trans	-75.8	-24.9	177.8	0	0	0	0	0	114.8	L223 A224	L223-G226 PolarHBondContact O-N 3.37Å; A224-G226 PolarHBondContact O-N 2.83Å
227	L	95.4	Very high	96.8	Very high	80 Å²	80	23.3 Å²	23.3	42%	0.419	13%	0.131	S	C	.	.	H	α-helix	trans	-72.2	-42	-162.9	-62.2	176.2	0	0	0	114.4	A150 A224 T234 L244	A150-L227 HydrophobicContact CB-CD1 3.7Å; A224-L227 PolarHBondContact O-N 2.87Å; A224-L227 VanDerWaalsContact O-N 3.14Å; L227-T234 HydrophobicContact CB-CG2 4.33Å; L227-T234 HydrophobicContact CD1-CG2 4.05Å; L227-L244 HydrophobicContact CD1-CD1 3.96Å
228	N	95.5	Very high	96.4	Very high	52 Å²	52	25 Å²	25	28%	0.278	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	21	-169.8	-69.5	-73.1	0	0	0	114.4	Y148 K232 T234	Y148-N228 WeakPolarHBondContact CB-ND2 3.45Å; Y148-N228 HydrophobicContact CD2-CB 4.33Å; Y148-N228 HydrophobicContact CG-CB 4.48Å; N228-K232 HydrophobicContact CB-CB 4.07Å; N228-K232 WeakPolarHBondContact O-CB 3.26Å; N228-T234 VanDerWaalsContact ND2-CG2 3.29Å; N228-T234 WeakPolarHBondContact ND2-CG2 3.35Å; N228-T234 PolarHBondContact ND2-OG1 3.35Å
229	K	96.5	Very high	95.9	Very high	56 Å²	56	27.7 Å²	27.7	24%	0.243	16%	0.161	C	C	.	.			trans	-64.6	144	179.6	-58.4	-154.3	-178.5	175.2	0	112.1	D12 Y51 C225	D12-K229 IonicContact OD1-NZ 2.74Å; D12-K229 PolarHBondContact OD1-NZ 3.21Å; D12-K229 IonicContact OD2-NZ 3.16Å; D12-K229 PolarHBondContact OD2-NZ 3.26Å; Y51-K229 HydrophobicContact CE1-CB 4.17Å; C225-K229 WeakPolarHBondContact O-CE 3.37Å; C225-K229 WeakPolarHBondContact O-CG 3.43Å
230	P	97.2	Very high	95.7	Very high	59 Å²	59	27.6 Å²	27.6	38%	0.383	16%	0.16	S	C	.	.	S	Bend	cis	-97.9	164.8	8.6	35.8	-34.1	0	0	0	115.2	D14 Y51 K232	D14-P230 HydrophobicContact CB-CB 4.37Å; D14-P230 WeakPolarHBondContact OD1-CA 3.19Å; Y51-P230 HydrophobicContact CD1-CB 4.06Å; Y51-P230 HydrophobicContact CD1-CG 3.85Å; Y51-P230 HydrophobicContact CD2-CB 3.84Å; Y51-P230 HydrophobicContact CD2-CG 4.13Å; Y51-P230 HydrophobicContact CE1-CB 3.88Å; Y51-P230 HydrophobicContact CE1-CG 4.13Å; Y51-P230 HydrophobicContact CE2-CB 3.66Å; Y51-P230 HydrophobicContact CE2-CG 4.4Å; Y51-P230 HydrophobicContact CG-CB 4.04Å; Y51-P230 HydrophobicContact CG-CG 3.86Å; P230-K232 PolarHBondContact O-N 2.86Å
231	N	97.2	Very high	95.4	Very high	44 Å²	44	28.7 Å²	28.7	24%	0.235	17%	0.166	C	C	.	.	S	Bend	trans	55.9	23.8	167.9	-169.1	85.4	0	0	0	114.6	D14 R199 R209 S211	D14-N231 PolarHBondContact OD2-N 2.85Å; R199-N231 PolarHBondContact NH2-O 2.9Å; R209-N231 HydrophobicContact CB-CB 4.38Å; R209-N231 WeakPolarHBondContact CB-OD1 3.49Å; R209-N231 VanDerWaalsContact CD-OD1 3.3Å; R209-N231 WeakPolarHBondContact CD-OD1 3.4Å; R209-N231 WeakPolarHBondContact CG-OD1 3.49Å; R209-N231 PolarHBondContact NH1-OD1 3.5Å; S211-N231 PolarHBondContact OG-N 3.34Å
232	K	97.9	Very high	95.2	Very high	50 Å²	50	35.7 Å²	35.7	22%	0.217	19%	0.192	C	C	.	.			trans	-120.9	177.6	170.4	-60.3	-57.8	-159.3	166.2	0	110.9	D146 Y148 S211 A212 N228 P230	D146-K232 HydrophobicContact CB-CD 4.11Å; D146-K232 CarbonylContact O-C 3.51Å; D146-K232 WeakPolarHBondContact O-CA 3.44Å; D146-K232 WeakPolarHBondContact OD1-CD 3.49Å; D146-K232 IonicContact OD1-NZ 2.93Å; D146-K232 PolarHBondContact OD1-NZ 3.47Å; Y148-K232 HydrophobicContact CD2-CB 4.12Å; Y148-K232 HydrophobicContact CD2-CG 4.3Å; Y148-K232 HydrophobicContact CE2-CB 4.05Å; Y148-K232 HydrophobicContact CE2-CD 3.69Å; Y148-K232 HydrophobicContact CE2-CG 3.73Å; S211-K232 WeakPolarHBondContact CA-O 3.4Å; S211-K232 WeakPolarHBondContact CB-O 3.44Å; A212-K232 PolarHBondContact N-O 3.13Å; A212-K232 VanDerWaalsContact N-O 3.17Å; N228-K232 HydrophobicContact CB-CB 4.07Å; N228-K232 WeakPolarHBondContact O-CB 3.26Å; P230-K232 PolarHBondContact O-N 2.86Å
233	Q	98.3	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.1	170.1	63.2	178.2	27.9	0	0	111.8	D146 T147 Y148 C192 N196 A212 I214	D146-Q233 PolarHBondContact O-N 2.99Å; T147-Q233 CarbonylContact C-O 3.57Å; T147-Q233 VanDerWaalsContact CA-O 3.32Å; T147-Q233 WeakPolarHBondContact CA-O 3.26Å; T147-Q233 HydrophobicContact CG2-CG 4.09Å; T147-Q233 PolarHBondContact OG1-NE2 3.23Å; Y148-Q233 PolarHBondContact N-O 2.87Å; C192-Q233 PolarHBondContact O-NE2 3.37Å; N196-Q233 PolarHBondContact ND2-NE2 3.06Å; N196-Q233 PolarHBondContact OD1-NE2 3.4Å; N196-Q233 PolarHBondContact OD1-OE1 3.16Å; N196-Q233 VanDerWaalsContact OD1-OE1 3.14Å; A212-Q233 HydrophobicContact CB-CB 3.84Å; A212-Q233 CarbonylContact O-C 3.57Å; A212-Q233 WeakPolarHBondContact O-CA 3.4Å; A212-Q233 WeakPolarHBondContact O-CB 3.47Å; I214-Q233 HydrophobicContact CD1-CB 3.94Å; I214-Q233 HydrophobicContact CD1-CG 4.11Å
234	T	98	Very high	94.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.6	-177.8	-34.4	0	0	0	0	111.9	Y148 A150 A212 G213 I214 A224 L227 N228	Y148-T234 CarbonylContact O-C 3.56Å; Y148-T234 VanDerWaalsContact O-CA 3.3Å; Y148-T234 WeakPolarHBondContact O-CA 3.4Å; Y148-T234 WeakPolarHBondContact O-CG2 3.44Å; A150-T234 HydrophobicContact CB-CG2 3.98Å; A212-T234 PolarHBondContact O-N 3.16Å; G213-T234 CarbonylContact C-O 3.53Å; G213-T234 WeakPolarHBondContact CA-O 3.29Å; I214-T234 PolarHBondContact N-O 3.46Å; A224-T234 WeakPolarHBondContact O-CB 3.14Å; A224-T234 PolarHBondContact O-OG1 3.19Å; L227-T234 HydrophobicContact CB-CG2 4.33Å; L227-T234 HydrophobicContact CD1-CG2 4.05Å; N228-T234 VanDerWaalsContact ND2-CG2 3.29Å; N228-T234 WeakPolarHBondContact ND2-CG2 3.35Å; N228-T234 PolarHBondContact ND2-OG1 3.35Å
235	L	97.5	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133	175	173	57.2	0	0	0	111	Y148 L149 A150 L163 L188 I214 V237	Y148-L235 PolarHBondContact O-N 2.93Å; L149-L235 HydrophobicContact CD2-CB 4.34Å; L149-L235 HydrophobicContact CD2-CD2 3.98Å; L149-L235 HydrophobicContact CD2-CG 4.38Å; A150-L235 WeakPolarHBondContact CB-O 3.34Å; A150-L235 PolarHBondContact N-O 3.28Å; L163-L235 HydrophobicContact CD2-CD2 3.49Å; L163-L235 VanDerWaalsContact CD2-CD2 3.49Å; L188-L235 HydrophobicContact CB-CD1 3.81Å; I214-L235 HydrophobicContact CB-CD1 4.32Å; I214-L235 HydrophobicContact CG2-CD1 4.21Å; L235-V237 HydrophobicContact CD1-CG1 4.09Å; L235-V237 HydrophobicContact CD2-CG1 4.14Å; L235-V237 HydrophobicContact CG-CG1 4.11Å
236	V	94.9	Very high	94.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.199	C	C	.	.			trans	-117	112.1	164.7	176.4	0	0	0	0	109.1	A150 I214 A215 L220 A224 I241 L244	A150-V236 HydrophobicContact CB-CG2 3.56Å; I214-V236 PolarHBondContact O-N 2.93Å; A215-V236 HydrophobicContact CB-CB 4.12Å; L220-V236 HydrophobicContact CB-CG1 4.49Å; L220-V236 HydrophobicContact CD1-CG1 4.18Å; L220-V236 HydrophobicContact CD2-CG1 4.42Å; A224-V236 HydrophobicContact CB-CG2 3.7Å; V236-I241 HydrophobicContact CG1-CG1 4.11Å; V236-L244 HydrophobicContact CG1-CD2 4.15Å; V236-L244 HydrophobicContact CG2-CD2 3.78Å
237	V	91.3	Very high	94.6	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	20%	0.199	C	C	.	.			trans	-95.7	156.6	167.5	-73	0	0	0	0	110.2	W157 L188 L235 C239 M240	W157-V237 HydrophobicContact CE3-CG2 4.35Å; W157-V237 HydrophobicContact CZ3-CG2 3.99Å; L188-V237 HydrophobicContact CD1-CG1 3.93Å; L235-V237 HydrophobicContact CD1-CG1 4.09Å; L235-V237 HydrophobicContact CD2-CG1 4.14Å; L235-V237 HydrophobicContact CG-CG1 4.11Å; V237-C239 VanDerWaalsContact C-N 3.32Å; V237-C239 PolarHBondContact O-N 3.02Å; V237-C239 VanDerWaalsContact O-N 3.16Å; V237-M240 HydrophobicContact CG2-CB 4.45Å; V237-M240 HydrophobicContact CG2-CE 3.55Å; V237-M240 HydrophobicContact CG2-CG 3.84Å; V237-M240 HydrophobicContact CG2-SD 3.49Å; V237-M240 WeakPolarHBondContact CG2-SD 3.41Å; V237-M240 PolarHBondContact O-N 3.41Å
238	P	88.4	Confident	94.6	Very high	44 Å²	44	35.3 Å²	35.3	29%	0.286	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-53.5	-39.4	-172.9	-30.6	36.4	0	0	0	115.7	N184 M240 I241	N184-P238 WeakPolarHBondContact ND2-CG 3.32Å; P238-M240 PolarHBondContact O-N 3.16Å; P238-I241 HydrophobicContact CB-CD1 4.45Å; P238-I241 WeakPolarHBondContact O-CB 3.1Å; P238-I241 WeakPolarHBondContact O-CG1 3.45Å; P238-I241 PolarHBondContact O-N 2.95Å; P238-I241 VanDerWaalsContact O-N 3.15Å
239	C	87.7	Confident	94.7	Very high	57 Å²	57	39.1 Å²	39.1	39%	0.385	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-63.6	-21.2	179.3	57.4	0	0	0	0	114	V237	V237-C239 VanDerWaalsContact C-N 3.32Å; V237-C239 PolarHBondContact O-N 3.02Å; V237-C239 VanDerWaalsContact O-N 3.16Å
240	M	91.4	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-85.5	-12	177.9	-68.1	169.2	-170.4	0	0	113.6	L149 W157 V237 P238 R242 S243 L244	L149-M240 HydrophobicContact CB-CE 3.88Å; L149-M240 HydrophobicContact CB-SD 4.15Å; L149-M240 HydrophobicContact CD1-CE 3.73Å; L149-M240 HydrophobicContact CD2-CE 4.01Å; L149-M240 HydrophobicContact CG-CE 4.07Å; W157-M240 HydrophobicContact CE3-CE 4.44Å; V237-M240 HydrophobicContact CG2-CB 4.45Å; V237-M240 HydrophobicContact CG2-CE 3.55Å; V237-M240 HydrophobicContact CG2-CG 3.84Å; V237-M240 HydrophobicContact CG2-SD 3.49Å; V237-M240 WeakPolarHBondContact CG2-SD 3.41Å; V237-M240 PolarHBondContact O-N 3.41Å; P238-M240 PolarHBondContact O-N 3.16Å; M240-R242 VanDerWaalsContact C-N 3.34Å; M240-R242 PolarHBondContact O-N 2.72Å; M240-S243 PolarHBondContact O-N 2.57Å; M240-L244 VanDerWaalsContact O-CB 3.3Å; M240-L244 WeakPolarHBondContact O-CB 3.5Å; M240-L244 PolarHBondContact O-N 3Å
241	I	92.4	Very high	94.7	Very high	26 Å²	26	36.8 Å²	36.8	13%	0.133	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-43.7	-172.2	-66.5	172.3	0	0	0	111.4	L220 V236 P238 L244 F245	L220-I241 HydrophobicContact CD1-CD1 3.69Å; L220-I241 HydrophobicContact CD1-CG1 3.98Å; V236-I241 HydrophobicContact CG1-CG1 4.11Å; P238-I241 HydrophobicContact CB-CD1 4.45Å; P238-I241 WeakPolarHBondContact O-CB 3.1Å; P238-I241 WeakPolarHBondContact O-CG1 3.45Å; P238-I241 PolarHBondContact O-N 2.95Å; P238-I241 VanDerWaalsContact O-N 3.15Å; I241-L244 PolarHBondContact O-N 2.78Å; I241-F245 HydrophobicContact CG2-CD1 4.48Å; I241-F245 HydrophobicContact CG2-CD2 4.01Å; I241-F245 HydrophobicContact CG2-CE1 4.4Å; I241-F245 HydrophobicContact CG2-CE2 3.91Å; I241-F245 HydrophobicContact CG2-CG 4.32Å; I241-F245 HydrophobicContact CG2-CZ 4.13Å; I241-F245 VanDerWaalsContact O-CB 3.31Å; I241-F245 WeakPolarHBondContact O-CB 3.26Å; I241-F245 WeakPolarHBondContact O-CG 3.41Å; I241-F245 PolarHBondContact O-N 3.29Å
242	R	93.2	Very high	94.6	Very high	147 Å²	147	38.3 Å²	38.3	56%	0.555	19%	0.185	S	C	*	.	H	α-helix	trans	-60.4	-48.5	179.6	-177.7	175.4	170.7	77.5	9.9	111.9	M240 F245 S246 L274 E278	M240-R242 VanDerWaalsContact C-N 3.34Å; M240-R242 PolarHBondContact O-N 2.72Å; R242-F245 PolarHBondContact O-N 3.48Å; R242-S246 PolarHBondContact O-N 3.32Å; R242-S246 VanDerWaalsContact O-N 3.07Å; R242-L274 HydrophobicContact CG-CD1 4.16Å; R242-L274 HydrophobicContact CG-CD2 4.49Å; R242-E278 IonicContact CZ-OE1 3.21Å; R242-E278 IonicContact NH1-OE1 3.33Å; R242-E278 PolarHBondContact NH1-OE1 3.15Å; R242-E278 IonicContact NH2-OE1 2.66Å; R242-E278 PolarHBondContact NH2-OE1 2.85Å; R242-E278 IonicContact NH2-OE2 2.71Å
243	S	93.2	Very high	94.5	Very high	19 Å²	19	36 Å²	36	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-37.5	178.9	-47.6	0	0	0	0	111.7	I151 M240 F245 S246	I151-S243 VanDerWaalsContact CD1-O 3.27Å; I151-S243 WeakPolarHBondContact CD1-O 3.37Å; M240-S243 PolarHBondContact O-N 2.57Å; S243-F245 VanDerWaalsContact C-N 3.33Å; S243-F245 PolarHBondContact O-N 3.46Å; S243-S246 PolarHBondContact O-N 3Å; S243-S246 PolarHBondContact O-OG 3.04Å
244	L	94.6	Very high	94.2	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-43.4	172.2	178.3	61.5	0	0	0	111.4	L220 L227 V236 M240 I241 S246 K247 T248	L220-L244 HydrophobicContact CD2-CD2 4.3Å; L227-L244 HydrophobicContact CD1-CD1 3.96Å; V236-L244 HydrophobicContact CG1-CD2 4.15Å; V236-L244 HydrophobicContact CG2-CD2 3.78Å; M240-L244 VanDerWaalsContact O-CB 3.3Å; M240-L244 WeakPolarHBondContact O-CB 3.5Å; M240-L244 PolarHBondContact O-N 3Å; I241-L244 PolarHBondContact O-N 2.78Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 2.95Å; L244-K247 PolarHBondContact O-N 2.98Å; L244-T248 WeakPolarHBondContact O-CB 3.34Å; L244-T248 PolarHBondContact O-N 2.78Å; L244-T248 PolarHBondContact O-OG1 2.85Å
245	F	96.1	Very high	93.9	Very high	4 Å²	4	46 Å²	46	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-75	-18	-178.9	-77.4	8.5	0	0	0	113.9	M219 L220 L223 I241 R242 S243 K247 M273 L274 I300 L301	M219-F245 HydrophobicContact CE-CZ 4.01Å; L220-F245 HydrophobicContact CD2-CE1 3.91Å; L220-F245 HydrophobicContact CD2-CZ 4.09Å; L223-F245 HydrophobicContact CD1-CE1 4.14Å; I241-F245 HydrophobicContact CG2-CD1 4.48Å; I241-F245 HydrophobicContact CG2-CD2 4.01Å; I241-F245 HydrophobicContact CG2-CE1 4.4Å; I241-F245 HydrophobicContact CG2-CE2 3.91Å; I241-F245 HydrophobicContact CG2-CG 4.32Å; I241-F245 HydrophobicContact CG2-CZ 4.13Å; I241-F245 VanDerWaalsContact O-CB 3.31Å; I241-F245 WeakPolarHBondContact O-CB 3.26Å; I241-F245 WeakPolarHBondContact O-CG 3.41Å; I241-F245 PolarHBondContact O-N 3.29Å; R242-F245 PolarHBondContact O-N 3.48Å; S243-F245 VanDerWaalsContact C-N 3.33Å; S243-F245 PolarHBondContact O-N 3.46Å; F245-K247 VanDerWaalsContact C-N 3.29Å; F245-M273 HydrophobicContact CB-CB 3.84Å; F245-M273 HydrophobicContact CD1-CB 4.31Å; F245-M273 HydrophobicContact CD2-CB 3.98Å; F245-M273 HydrophobicContact CG-CB 3.8Å; F245-M273 PolarHBondContact O-N 3.48Å; F245-L274 HydrophobicContact CB-CB 4.32Å; F245-L274 WeakPolarHBondContact O-CB 3.11Å; F245-L274 PolarHBondContact O-N 2.75Å; F245-I300 VanDerWaalsContact CE2-O 3.26Å; F245-I300 WeakPolarHBondContact CE2-O 3.15Å; F245-L301 WeakPolarHBondContact CD2-O 3.37Å; F245-L301 WeakPolarHBondContact CE2-O 3.39Å
246	S	95.3	Very high	93.8	Very high	49 Å²	49	46 Å²	46	34%	0.343	22%	0.221	S	C	.	.	H	α-helix	trans	-66.5	-33.1	169.9	84.3	0	0	0	0	112	R242 S243 L244 T272	R242-S246 PolarHBondContact O-N 3.32Å; R242-S246 VanDerWaalsContact O-N 3.07Å; S243-S246 PolarHBondContact O-N 3Å; S243-S246 PolarHBondContact O-OG 3.04Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 2.95Å; S246-T272 WeakPolarHBondContact O-CB 3.26Å; S246-T272 WeakPolarHBondContact O-CG2 3.25Å; S246-T272 PolarHBondContact O-OG1 3.31Å
247	K	94.2	Very high	93.7	Very high	116 Å²	116	48.7 Å²	48.7	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-99.8	-20.7	179.7	-51.9	-170.4	-167.7	170.8	0	114.3	I151 D153 L244 F245 R249	I151-K247 HydrophobicContact CD1-CB 4.41Å; I151-K247 HydrophobicContact CD1-CD 3.64Å; I151-K247 HydrophobicContact CD1-CG 4.04Å; D153-K247 IonicContact OD1-NZ 3.98Å; D153-K247 IonicContact OD2-NZ 2.91Å; D153-K247 PolarHBondContact OD2-NZ 3.49Å; L244-K247 PolarHBondContact O-N 2.98Å; F245-K247 VanDerWaalsContact C-N 3.29Å; K247-R249 PolarHBondContact O-N 3.43Å
248	T	96.7	Very high	93.8	Very high	12 Å²	12	50.2 Å²	50.2	7%	0.074	26%	0.264	C	S	.	.			trans	-75.4	120.7	180	-60.4	0	0	0	0	111.1	L223 L244 D252 V253 T272 M273	L223-T248 HydrophobicContact CD1-CG2 4.24Å; L223-T248 HydrophobicContact CD2-CG2 3.91Å; L244-T248 WeakPolarHBondContact O-CB 3.34Å; L244-T248 PolarHBondContact O-N 2.78Å; L244-T248 PolarHBondContact O-OG1 2.85Å; T248-D252 HydrophobicContact CG2-CB 4.37Å; T248-V253 HydrophobicContact CG2-CG2 3.68Å; T248-T272 CarbonylContact O-C 3.55Å; T248-T272 WeakPolarHBondContact O-CA 3.42Å; T248-T272 VanDerWaalsContact O-CB 3.28Å; T248-T272 WeakPolarHBondContact O-CB 3.48Å; T248-M273 HydrophobicContact CG2-CG 4.08Å; T248-M273 PolarHBondContact O-N 3.1Å
249	R	96.9	Very high	94.1	Very high	132 Å²	132	54.9 Å²	54.9	50%	0.498	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-77.3	152.8	176.2	-51.4	172.2	-63.2	172.6	5.3	110.8	K247 Q251 D252 Q271	K247-R249 PolarHBondContact O-N 3.43Å; R249-Q251 PolarHBondContact O-N 3.2Å; R249-D252 VanDerWaalsContact CB-OD2 3.31Å; R249-D252 WeakPolarHBondContact CB-OD2 3.49Å; R249-D252 IonicContact CZ-OD1 2.82Å; R249-D252 IonicContact CZ-OD2 3.65Å; R249-D252 PolarHBondContact N-OD2 3.28Å; R249-D252 IonicContact NE-OD1 2.7Å; R249-D252 IonicContact NE-OD2 2.68Å; R249-D252 PolarHBondContact NE-OD2 3.15Å; R249-D252 IonicContact NH2-OD1 3.87Å; R249-D252 PolarHBondContact NH2-OD1 3.25Å; R249-D252 IonicContact NH2-OD2 3.03Å; R249-D252 PolarHBondContact NH2-OD2 3.2Å; R249-D252 PolarHBondContact O-N 2.87Å; R249-Q271 VanDerWaalsContact CA-O 3.23Å; R249-Q271 WeakPolarHBondContact CA-O 3.46Å
250	L	96.9	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-51.8	-43.3	176.4	-84.2	66.6	0	0	0	111.6	D252 V253 L256 L264 A265 V270 Q271 T272 M273 L276	L250-D252 VanDerWaalsContact C-N 3.26Å; L250-D252 PolarHBondContact O-N 3.43Å; L250-V253 PolarHBondContact O-N 2.87Å; L250-L256 WeakPolarHBondContact O-CB 3.13Å; L250-L264 HydrophobicContact CD2-CB 3.67Å; L250-A265 HydrophobicContact CD2-CB 4.15Å; L250-V270 HydrophobicContact CD1-CG2 4.41Å; L250-V270 HydrophobicContact CD2-CG2 4.35Å; L250-Q271 WeakPolarHBondContact CD1-O 3.31Å; L250-Q271 PolarHBondContact N-O 3.3Å; L250-Q271 VanDerWaalsContact N-O 3.1Å; L250-T272 VanDerWaalsContact CD1-C 3.46Å; L250-T272 WeakPolarHBondContact CD1-O 3.08Å; L250-M273 HydrophobicContact CD1-SD 4.35Å; L250-M273 HydrophobicContact CG-SD 4.15Å; L250-L276 HydrophobicContact CD1-CB 4.34Å; L250-L276 HydrophobicContact CD2-CD2 3.97Å; L250-L276 HydrophobicContact CG-CD2 4.2Å
251	Q	95.9	Very high	94.8	Very high	66 Å²	66	54.5 Å²	54.5	31%	0.308	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-71.9	-14.7	-175.7	-64	79.3	6.2	0	0	114.5	R249 G257 N262	R249-Q251 PolarHBondContact O-N 3.2Å; Q251-G257 VanDerWaalsContact O-CA 3.24Å; Q251-G257 WeakPolarHBondContact O-CA 3.23Å; Q251-N262 WeakPolarHBondContact CG-OD1 3.43Å; Q251-N262 PolarHBondContact NE2-OD1 3.48Å
252	D	95.1	Very high	95	Very high	75 Å²	75	56.8 Å²	56.8	40%	0.401	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-82.3	-19.6	175.7	-61.5	-45.4	0	0	0	111.9	L223 T248 R249 L250	L223-D252 HydrophobicContact CD2-CB 4.37Å; T248-D252 HydrophobicContact CG2-CB 4.37Å; R249-D252 VanDerWaalsContact CB-OD2 3.31Å; R249-D252 WeakPolarHBondContact CB-OD2 3.49Å; R249-D252 IonicContact CZ-OD1 2.82Å; R249-D252 IonicContact CZ-OD2 3.65Å; R249-D252 PolarHBondContact N-OD2 3.28Å; R249-D252 IonicContact NE-OD1 2.7Å; R249-D252 IonicContact NE-OD2 2.68Å; R249-D252 PolarHBondContact NE-OD2 3.15Å; R249-D252 IonicContact NH2-OD1 3.87Å; R249-D252 PolarHBondContact NH2-OD1 3.25Å; R249-D252 IonicContact NH2-OD2 3.03Å; R249-D252 PolarHBondContact NH2-OD2 3.2Å; R249-D252 PolarHBondContact O-N 2.87Å; L250-D252 VanDerWaalsContact C-N 3.26Å; L250-D252 PolarHBondContact O-N 3.43Å
253	V	96.1	Very high	95.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.018	28%	0.277	C	S	.	.	S	Bend	trans	-78.8	137.8	178.3	-178.6	0	0	0	0	111	M219 L223 T248 L250 M255 L256 G257 M273 I300	M219-V253 HydrophobicContact CG-CG1 4.16Å; M219-V253 HydrophobicContact SD-CG1 3.76Å; L223-V253 HydrophobicContact CD1-CG2 4.4Å; L223-V253 HydrophobicContact CD2-CG2 4.49Å; T248-V253 HydrophobicContact CG2-CG2 3.68Å; L250-V253 PolarHBondContact O-N 2.87Å; V253-M255 PolarHBondContact O-N 2.96Å; V253-L256 HydrophobicContact CB-CB 4.29Å; V253-L256 HydrophobicContact CB-CD1 4.16Å; V253-L256 HydrophobicContact CB-CG 4.46Å; V253-L256 HydrophobicContact CG1-CD1 4.22Å; V253-L256 HydrophobicContact CG1-CG 4.46Å; V253-L256 PolarHBondContact O-N 3.39Å; V253-G257 PolarHBondContact O-N 3.46Å; V253-M273 HydrophobicContact CB-SD 4.34Å; V253-M273 HydrophobicContact CG1-CE 4.41Å; V253-M273 HydrophobicContact CG2-CE 4.07Å; V253-M273 HydrophobicContact CG2-CG 3.63Å; V253-M273 HydrophobicContact CG2-SD 3.67Å; V253-I300 HydrophobicContact CG1-CG2 4.09Å
254	R	91.6	Very high	95.4	Very high	76 Å²	76	52 Å²	52	29%	0.287	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	138.6	179.1	-145.4	-170.6	73.2	165.7	9.5	110.2	L256 E307	R254-L256 PolarHBondContact O-N 3.29Å; R254-L256 VanDerWaalsContact O-N 3.16Å; R254-E307 IonicContact CZ-OE1 3.5Å; R254-E307 IonicContact CZ-OE2 3.25Å; R254-E307 IonicContact NH1-OE1 2.6Å; R254-E307 PolarHBondContact NH1-OE1 2.76Å; R254-E307 IonicContact NH1-OE2 2.75Å; R254-E307 IonicContact NH2-OE1 2.73Å; R254-E307 PolarHBondContact NH2-OE1 3.01Å; R254-E307 VanDerWaalsContact NH2-OE1 3.08Å; R254-E307 IonicContact NH2-OE2 2.78Å; R254-E307 PolarHBondContact NH2-OE2 2.9Å
255	M	92.7	Very high	95.5	Very high	135 Å²	135	52.4 Å²	52.4	67%	0.665	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	-15.8	-171.3	-49.3	-61.5	-71.3	0	0	116.6	V253 W296	V253-M255 PolarHBondContact O-N 2.96Å; M255-W296 HydrophobicContact CB-CH2 3.83Å; M255-W296 HydrophobicContact CB-CZ2 3.85Å; M255-W296 HydrophobicContact CG-CZ2 4.21Å
256	L	96.3	Very high	95.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-18.2	178.9	-66	-172.9	0	0	0	114.2	L250 V253 R254 G258 L260 G261 L264 M273 W296 L297	L250-L256 WeakPolarHBondContact O-CB 3.13Å; V253-L256 HydrophobicContact CB-CB 4.29Å; V253-L256 HydrophobicContact CB-CD1 4.16Å; V253-L256 HydrophobicContact CB-CG 4.46Å; V253-L256 HydrophobicContact CG1-CD1 4.22Å; V253-L256 HydrophobicContact CG1-CG 4.46Å; V253-L256 PolarHBondContact O-N 3.39Å; R254-L256 PolarHBondContact O-N 3.29Å; R254-L256 VanDerWaalsContact O-N 3.16Å; L256-G258 PolarHBondContact O-N 3.34Å; L256-L260 HydrophobicContact CD2-CD2 3.86Å; L256-L260 HydrophobicContact CD2-CG 3.88Å; L256-G261 WeakPolarHBondContact O-CA 3.5Å; L256-G261 PolarHBondContact O-N 3.42Å; L256-G261 VanDerWaalsContact O-N 3.16Å; L256-L264 HydrophobicContact CD2-CD1 3.98Å; L256-M273 HydrophobicContact CD1-CE 4.07Å; L256-M273 HydrophobicContact CD1-SD 3.9Å; L256-W296 HydrophobicContact CD2-CH2 3.79Å; L256-W296 HydrophobicContact CD2-CZ3 3.91Å; L256-W296 HydrophobicContact CG-CH2 4.08Å; L256-L297 HydrophobicContact CD1-CD1 4.15Å
257	G	92.7	Very high	95.6	Very high	57 Å²	57	56.7 Å²	56.7	59%	0.588	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	31.5	174.3	0	0	0	0	0	117.8	Q251 V253	Q251-G257 VanDerWaalsContact O-CA 3.24Å; Q251-G257 WeakPolarHBondContact O-CA 3.23Å; V253-G257 PolarHBondContact O-N 3.46Å
258	G	92.5	Very high	95.7	Very high	33 Å²	33	53.5 Å²	53.5	34%	0.34	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.6	-152.1	-178.8	0	0	0	0	0	112.7	L256 L260 G261 N262	L256-G258 PolarHBondContact O-N 3.34Å; G258-L260 PolarHBondContact O-N 2.82Å; G258-L260 VanDerWaalsContact O-N 3.12Å; G258-G261 PolarHBondContact O-N 2.76Å; G258-N262 PolarHBondContact O-N 2.9Å; G258-N262 VanDerWaalsContact O-N 3.16Å
259	K	95.3	Very high	95.7	Very high	142 Å²	142	60.5 Å²	60.5	62%	0.617	32%	0.316	S	S	*	.	H	α-helix	trans	-53.6	-35.9	-175.4	-69.1	-160.3	174.4	-160.8	0	113.4	L263 D584	K259-L263 VanDerWaalsContact O-CB 3.3Å; K259-L263 WeakPolarHBondContact O-CB 3.05Å; K259-L263 PolarHBondContact O-N 2.96Å; K259-D584 WeakPolarHBondContact CE-OD1 3.15Å; K259-D584 IonicContact NZ-OD1 2.76Å; K259-D584 PolarHBondContact NZ-OD1 3.24Å
260	L	96	Very high	95.7	Very high	49 Å²	49	54.5 Å²	54.5	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-51.4	-179.1	-179.5	58	0	0	0	113.6	L256 G258 N262 L263 L264 V289 T293 W296	L256-L260 HydrophobicContact CD2-CD2 3.86Å; L256-L260 HydrophobicContact CD2-CG 3.88Å; G258-L260 PolarHBondContact O-N 2.82Å; G258-L260 VanDerWaalsContact O-N 3.12Å; L260-N262 VanDerWaalsContact C-N 3.31Å; L260-N262 PolarHBondContact O-N 2.88Å; L260-L263 WeakPolarHBondContact O-CB 3.43Å; L260-L263 PolarHBondContact O-N 2.74Å; L260-L264 HydrophobicContact CD1-CD1 4.26Å; L260-L264 HydrophobicContact CD1-CG 4.46Å; L260-L264 HydrophobicContact CG-CD1 4.2Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 3.36Å; L260-V289 HydrophobicContact CD1-CB 4.35Å; L260-V289 HydrophobicContact CD1-CG1 3.69Å; L260-T293 HydrophobicContact CD1-CG2 4.21Å; L260-T293 HydrophobicContact CD2-CG2 3.91Å; L260-W296 HydrophobicContact CD2-CZ3 3.96Å
261	G	96.5	Very high	95.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-68.2	-31.4	178.3	0	0	0	0	0	112.7	L256 G258 L264 A265	L256-G261 WeakPolarHBondContact O-CA 3.5Å; L256-G261 PolarHBondContact O-N 3.42Å; L256-G261 VanDerWaalsContact O-N 3.16Å; G258-G261 PolarHBondContact O-N 2.76Å; G261-L264 PolarHBondContact O-N 3.05Å; G261-A265 VanDerWaalsContact O-CB 3.25Å; G261-A265 WeakPolarHBondContact O-CB 3.46Å; G261-A265 PolarHBondContact O-N 3.29Å
262	N	96.8	Very high	95.8	Very high	74 Å²	74	58.9 Å²	58.9	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-37.5	171.9	-70	-5.7	0	0	0	112.3	Q251 G258 L260 N266	Q251-N262 WeakPolarHBondContact CG-OD1 3.43Å; Q251-N262 PolarHBondContact NE2-OD1 3.48Å; G258-N262 PolarHBondContact O-N 2.9Å; G258-N262 VanDerWaalsContact O-N 3.16Å; L260-N262 VanDerWaalsContact C-N 3.31Å; L260-N262 PolarHBondContact O-N 2.88Å; N262-N266 VanDerWaalsContact O-CB 3.23Å; N262-N266 WeakPolarHBondContact O-CB 3.5Å; N262-N266 PolarHBondContact O-N 3.41Å; N262-N266 PolarHBondContact O-ND2 2.88Å
263	L	97	Very high	95.9	Very high	66 Å²	66	55.3 Å²	55.3	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-47.7	173	178.6	64.6	0	0	0	111.1	K259 L260 N266 S267 L288 V289	K259-L263 VanDerWaalsContact O-CB 3.3Å; K259-L263 WeakPolarHBondContact O-CB 3.05Å; K259-L263 PolarHBondContact O-N 2.96Å; L260-L263 WeakPolarHBondContact O-CB 3.43Å; L260-L263 PolarHBondContact O-N 2.74Å; L263-N266 PolarHBondContact O-N 3.16Å; L263-S267 VanDerWaalsContact O-CB 3.25Å; L263-S267 WeakPolarHBondContact O-CB 3.44Å; L263-S267 PolarHBondContact O-N 2.99Å; L263-S267 PolarHBondContact O-OG 3.42Å; L263-L288 HydrophobicContact CD1-CD1 4.14Å; L263-L288 HydrophobicContact CD2-CD1 4.38Å; L263-L288 HydrophobicContact CD2-CG 4.31Å; L263-L288 HydrophobicContact CG-CD1 4.23Å; L263-L288 HydrophobicContact CG-CD2 4.21Å; L263-L288 HydrophobicContact CG-CG 4.27Å; L263-V289 HydrophobicContact CD2-CG1 4.43Å
264	L	97.4	Very high	96	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-49	177.1	-70.6	164.7	0	0	0	111.7	L250 L256 L260 G261 N266 F268 L276 L285 L288 V289 L297	L250-L264 HydrophobicContact CD2-CB 3.67Å; L256-L264 HydrophobicContact CD2-CD1 3.98Å; L260-L264 HydrophobicContact CD1-CD1 4.26Å; L260-L264 HydrophobicContact CD1-CG 4.46Å; L260-L264 HydrophobicContact CG-CD1 4.2Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 3.36Å; G261-L264 PolarHBondContact O-N 3.05Å; L264-N266 PolarHBondContact O-N 3.48Å; L264-F268 HydrophobicContact CD2-CD2 4.48Å; L264-F268 HydrophobicContact CD2-CE2 4.09Å; L264-F268 WeakPolarHBondContact O-CD2 3.4Å; L264-F268 PolarHBondContact O-N 3.28Å; L264-L276 HydrophobicContact CB-CD2 4.48Å; L264-L276 HydrophobicContact CD1-CD2 4.19Å; L264-L276 HydrophobicContact CD2-CD1 4.43Å; L264-L285 HydrophobicContact CD2-CD2 3.92Å; L264-L288 HydrophobicContact CD2-CD2 4.32Å; L264-V289 HydrophobicContact CD2-CG1 4.07Å; L264-L297 HydrophobicContact CD1-CD1 4.37Å; L264-L297 HydrophobicContact CD1-CD2 3.81Å; L264-L297 HydrophobicContact CD2-CD2 3.89Å
265	A	96.8	Very high	96.2	Very high	11 Å²	11	56.2 Å²	56.2	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-47	178.2	0	0	0	0	0	112.1	L250 G261 Q269 V270	L250-A265 HydrophobicContact CD2-CB 4.15Å; G261-A265 VanDerWaalsContact O-CB 3.25Å; G261-A265 WeakPolarHBondContact O-CB 3.46Å; G261-A265 PolarHBondContact O-N 3.29Å; A265-Q269 WeakPolarHBondContact O-CA 3.34Å; A265-Q269 PolarHBondContact O-N 3.45Å; A265-V270 VanDerWaalsContact CA-O 3.31Å; A265-V270 WeakPolarHBondContact CA-O 3.36Å; A265-V270 WeakPolarHBondContact CB-O 3.33Å; A265-V270 PolarHBondContact O-N 3.17Å
266	N	96.7	Very high	96.5	Very high	90 Å²	90	49.8 Å²	49.8	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-73.6	-39.6	-176.2	-67.5	-13	0	0	0	112.8	N262 L263 L264 Q269	N262-N266 VanDerWaalsContact O-CB 3.23Å; N262-N266 WeakPolarHBondContact O-CB 3.5Å; N262-N266 PolarHBondContact O-N 3.41Å; N262-N266 PolarHBondContact O-ND2 2.88Å; L263-N266 PolarHBondContact O-N 3.16Å; L264-N266 PolarHBondContact O-N 3.48Å; N266-Q269 PolarHBondContact O-NE2 3.39Å
267	S	97.2	Very high	96.5	Very high	54 Å²	54	53.7 Å²	53.7	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-70.3	-30	-178.9	-72.2	0	0	0	0	113.7	L263 L288	L263-S267 VanDerWaalsContact O-CB 3.25Å; L263-S267 WeakPolarHBondContact O-CB 3.44Å; L263-S267 PolarHBondContact O-N 2.99Å; L263-S267 PolarHBondContact O-OG 3.42Å; S267-L288 VanDerWaalsContact CB-CD2 3.48Å
268	F	96.9	Very high	96.7	Very high	48 Å²	48	55.8 Å²	55.8	21%	0.211	28%	0.282	C	S	.	.	H	α-helix	trans	-113.5	-1.5	-177.2	-56.6	-58.3	0	0	0	114.5	L264 V270 L276 V280 Q284 L285 L288	L264-F268 HydrophobicContact CD2-CD2 4.48Å; L264-F268 HydrophobicContact CD2-CE2 4.09Å; L264-F268 WeakPolarHBondContact O-CD2 3.4Å; L264-F268 PolarHBondContact O-N 3.28Å; F268-V270 HydrophobicContact CB-CG1 4.27Å; F268-V270 HydrophobicContact CB-CG2 4.19Å; F268-V270 PolarHBondContact O-N 2.87Å; F268-L276 HydrophobicContact CD2-CD1 4.1Å; F268-V280 HydrophobicContact CB-CG2 3.67Å; F268-V280 HydrophobicContact CD1-CG1 3.81Å; F268-V280 HydrophobicContact CD1-CG2 4.03Å; F268-V280 HydrophobicContact CD2-CG1 3.91Å; F268-V280 HydrophobicContact CD2-CG2 3.99Å; F268-V280 HydrophobicContact CE1-CG1 3.68Å; F268-V280 HydrophobicContact CE2-CG1 3.77Å; F268-V280 HydrophobicContact CG-CB 4.47Å; F268-V280 HydrophobicContact CG-CG1 3.93Å; F268-V280 HydrophobicContact CG-CG2 3.63Å; F268-V280 HydrophobicContact CZ-CG1 3.66Å; F268-Q284 HydrophobicContact CE1-CB 3.94Å; F268-Q284 HydrophobicContact CZ-CB 4.09Å; F268-L285 HydrophobicContact CE2-CD2 3.76Å; F268-L285 HydrophobicContact CZ-CD2 4.32Å; F268-L288 HydrophobicContact CD2-CD2 4.21Å; F268-L288 HydrophobicContact CE2-CD2 3.38Å; F268-L288 HydrophobicContact CZ-CB 4.14Å; F268-L288 HydrophobicContact CZ-CD2 3.63Å
269	Q	96.7	Very high	96.9	Very high	160 Å²	160	59.6 Å²	59.6	75%	0.748	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	33.7	-177.9	-59.7	-65.6	-57.5	0	0	113.8	A265 N266	A265-Q269 WeakPolarHBondContact O-CA 3.34Å; A265-Q269 PolarHBondContact O-N 3.45Å; N266-Q269 PolarHBondContact O-NE2 3.39Å
270	V	97	Very high	97	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.03	27%	0.269	C	S	.	.			trans	-104.8	147.2	178	-61.8	0	0	0	0	111.6	L250 A265 F268 Q275 L276 N279 V280	L250-V270 HydrophobicContact CD1-CG2 4.41Å; L250-V270 HydrophobicContact CD2-CG2 4.35Å; A265-V270 VanDerWaalsContact CA-O 3.31Å; A265-V270 WeakPolarHBondContact CA-O 3.36Å; A265-V270 WeakPolarHBondContact CB-O 3.33Å; A265-V270 PolarHBondContact O-N 3.17Å; F268-V270 HydrophobicContact CB-CG1 4.27Å; F268-V270 HydrophobicContact CB-CG2 4.19Å; F268-V270 PolarHBondContact O-N 2.87Å; V270-Q275 HydrophobicContact CB-CB 3.89Å; V270-Q275 HydrophobicContact CG1-CB 3.94Å; V270-L276 HydrophobicContact CG2-CB 4.03Å; V270-L276 HydrophobicContact CG2-CD1 4Å; V270-N279 HydrophobicContact CG1-CB 4.48Å; V270-V280 HydrophobicContact CG1-CG2 4.46Å
271	Q	96.5	Very high	97	Very high	141 Å²	141	53.7 Å²	53.7	66%	0.659	27%	0.274	S	S	*	.			trans	-111.4	-34.4	179.5	-59.9	-173.8	15.7	0	0	112.7	R249 L250	R249-Q271 VanDerWaalsContact CA-O 3.23Å; R249-Q271 WeakPolarHBondContact CA-O 3.46Å; L250-Q271 WeakPolarHBondContact CD1-O 3.31Å; L250-Q271 PolarHBondContact N-O 3.3Å; L250-Q271 VanDerWaalsContact N-O 3.1Å
272	T	97.8	Very high	97	Very high	18 Å²	18	59.8 Å²	59.8	11%	0.11	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-115.3	157.8	-173.3	71.4	0	0	0	0	113.7	S246 T248 L250 L274 Q275 L276	S246-T272 WeakPolarHBondContact O-CB 3.26Å; S246-T272 WeakPolarHBondContact O-CG2 3.25Å; S246-T272 PolarHBondContact O-OG1 3.31Å; T248-T272 CarbonylContact O-C 3.55Å; T248-T272 WeakPolarHBondContact O-CA 3.42Å; T248-T272 VanDerWaalsContact O-CB 3.28Å; T248-T272 WeakPolarHBondContact O-CB 3.48Å; L250-T272 VanDerWaalsContact CD1-C 3.46Å; L250-T272 WeakPolarHBondContact CD1-O 3.08Å; T272-L274 VanDerWaalsContact C-N 3.28Å; T272-L274 PolarHBondContact O-N 2.7Å; T272-Q275 VanDerWaalsContact N-OE1 3.13Å; T272-Q275 WeakPolarHBondContact O-CB 3.47Å; T272-Q275 PolarHBondContact O-N 3.09Å; T272-Q275 VanDerWaalsContact O-N 3.16Å; T272-Q275 WeakPolarHBondContact OG1-CG 3.42Å; T272-L276 PolarHBondContact O-N 3.15Å
273	M	97.8	Very high	97	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-37.9	-176.2	-69.4	-60.8	-71.3	0	0	112.1	F245 T248 L250 V253 L256 L276 R277 I300 L301	F245-M273 HydrophobicContact CB-CB 3.84Å; F245-M273 HydrophobicContact CD1-CB 4.31Å; F245-M273 HydrophobicContact CD2-CB 3.98Å; F245-M273 HydrophobicContact CG-CB 3.8Å; F245-M273 PolarHBondContact O-N 3.48Å; T248-M273 HydrophobicContact CG2-CG 4.08Å; T248-M273 PolarHBondContact O-N 3.1Å; L250-M273 HydrophobicContact CD1-SD 4.35Å; L250-M273 HydrophobicContact CG-SD 4.15Å; V253-M273 HydrophobicContact CB-SD 4.34Å; V253-M273 HydrophobicContact CG1-CE 4.41Å; V253-M273 HydrophobicContact CG2-CE 4.07Å; V253-M273 HydrophobicContact CG2-CG 3.63Å; V253-M273 HydrophobicContact CG2-SD 3.67Å; L256-M273 HydrophobicContact CD1-CE 4.07Å; L256-M273 HydrophobicContact CD1-SD 3.9Å; M273-L276 PolarHBondContact O-N 3.35Å; M273-R277 PolarHBondContact O-N 3.38Å; M273-I300 HydrophobicContact CE-CG2 3.76Å; M273-L301 HydrophobicContact CE-CD2 3.66Å; M273-L301 HydrophobicContact CE-CG 4.25Å; M273-L301 VanDerWaalsContact O-CD2 3.22Å; M273-L301 WeakPolarHBondContact O-CD2 3.38Å; M273-L301 HydrophobicContact SD-CD2 4.45Å
274	L	96.8	Very high	97	Very high	25 Å²	25	63.2 Å²	63.2	13%	0.131	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-42.6	175.4	-173.5	63.4	0	0	0	111.8	R242 F245 T272 L276 R277 E278	R242-L274 HydrophobicContact CG-CD1 4.16Å; R242-L274 HydrophobicContact CG-CD2 4.49Å; F245-L274 HydrophobicContact CB-CB 4.32Å; F245-L274 WeakPolarHBondContact O-CB 3.11Å; F245-L274 PolarHBondContact O-N 2.75Å; T272-L274 VanDerWaalsContact C-N 3.28Å; T272-L274 PolarHBondContact O-N 2.7Å; L274-L276 VanDerWaalsContact C-N 3.29Å; L274-L276 PolarHBondContact O-N 3.03Å; L274-R277 PolarHBondContact O-N 3.38Å; L274-E278 HydrophobicContact CD1-CG 3.88Å; L274-E278 HydrophobicContact CG-CG 4.21Å; L274-E278 WeakPolarHBondContact CG-OE2 3.47Å; L274-E278 WeakPolarHBondContact O-CG 3.28Å; L274-E278 PolarHBondContact O-N 2.91Å
275	Q	97.8	Very high	97	Very high	73 Å²	73	63.3 Å²	63.3	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-39.6	175.2	-70	172.6	-17.2	0	0	111.9	V270 T272 R277 N279	V270-Q275 HydrophobicContact CB-CB 3.89Å; V270-Q275 HydrophobicContact CG1-CB 3.94Å; T272-Q275 VanDerWaalsContact N-OE1 3.13Å; T272-Q275 WeakPolarHBondContact O-CB 3.47Å; T272-Q275 PolarHBondContact O-N 3.09Å; T272-Q275 VanDerWaalsContact O-N 3.16Å; T272-Q275 WeakPolarHBondContact OG1-CG 3.42Å; Q275-R277 VanDerWaalsContact C-N 3.32Å; Q275-R277 PolarHBondContact O-N 3.39Å; Q275-N279 VanDerWaalsContact O-CB 3.23Å; Q275-N279 WeakPolarHBondContact O-CB 3.35Å; Q275-N279 PolarHBondContact O-N 3.14Å
276	L	97.9	Very high	97.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-31.5	174.6	-177.3	62.1	0	0	0	112.4	L250 L264 F268 V270 T272 M273 L274 V280 L285 L297 L301	L250-L276 HydrophobicContact CD1-CB 4.34Å; L250-L276 HydrophobicContact CD2-CD2 3.97Å; L250-L276 HydrophobicContact CG-CD2 4.2Å; L264-L276 HydrophobicContact CB-CD2 4.48Å; L264-L276 HydrophobicContact CD1-CD2 4.19Å; L264-L276 HydrophobicContact CD2-CD1 4.43Å; F268-L276 HydrophobicContact CD2-CD1 4.1Å; V270-L276 HydrophobicContact CG2-CB 4.03Å; V270-L276 HydrophobicContact CG2-CD1 4Å; T272-L276 PolarHBondContact O-N 3.15Å; M273-L276 PolarHBondContact O-N 3.35Å; L274-L276 VanDerWaalsContact C-N 3.29Å; L274-L276 PolarHBondContact O-N 3.03Å; L276-V280 HydrophobicContact CD1-CB 4.3Å; L276-V280 HydrophobicContact CD1-CG2 3.96Å; L276-L285 HydrophobicContact CD1-CD2 4.02Å; L276-L297 HydrophobicContact CD2-CD1 4.26Å; L276-L297 HydrophobicContact CD2-CD2 4.39Å; L276-L301 HydrophobicContact CB-CD2 3.99Å; L276-L301 HydrophobicContact CD2-CD1 4.36Å; L276-L301 HydrophobicContact CD2-CD2 4Å; L276-L301 HydrophobicContact CG-CD1 4.2Å; L276-L301 HydrophobicContact CG-CD2 3.99Å
277	R	97	Very high	97.1	Very high	82 Å²	82	68.5 Å²	68.5	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-77.4	-35.5	177.8	-174.2	46.2	163	168.1	-4.1	113	M273 L274 Q275 N298 L301 D302	M273-R277 PolarHBondContact O-N 3.38Å; L274-R277 PolarHBondContact O-N 3.38Å; Q275-R277 VanDerWaalsContact C-N 3.32Å; Q275-R277 PolarHBondContact O-N 3.39Å; R277-N298 PolarHBondContact NH1-OD1 3.25Å; R277-N298 PolarHBondContact NH2-OD1 3.2Å; R277-L301 HydrophobicContact CB-CB 4.26Å; R277-L301 HydrophobicContact CB-CD2 4.04Å; R277-L301 HydrophobicContact CG-CB 4.31Å; R277-D302 IonicContact CZ-OD1 3.82Å; R277-D302 IonicContact CZ-OD2 3.65Å; R277-D302 IonicContact NE-OD1 3.74Å; R277-D302 PolarHBondContact NE-OD1 3.17Å; R277-D302 IonicContact NH2-OD1 3.01Å; R277-D302 PolarHBondContact NH2-OD1 3.25Å; R277-D302 IonicContact NH2-OD2 3.88Å; R277-D302 PolarHBondContact NH2-OD2 2.92Å
278	E	96.6	Very high	97.1	Very high	100 Å²	100	68.6 Å²	68.6	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-94	-33.7	-173.1	-63.9	-170.9	136.6	0	0	113.6	R242 L274	R242-E278 IonicContact CZ-OE1 3.21Å; R242-E278 IonicContact NH1-OE1 3.33Å; R242-E278 PolarHBondContact NH1-OE1 3.15Å; R242-E278 IonicContact NH2-OE1 2.66Å; R242-E278 PolarHBondContact NH2-OE1 2.85Å; R242-E278 IonicContact NH2-OE2 2.71Å; L274-E278 HydrophobicContact CD1-CG 3.88Å; L274-E278 HydrophobicContact CG-CG 4.21Å; L274-E278 WeakPolarHBondContact CG-OE2 3.47Å; L274-E278 WeakPolarHBondContact O-CG 3.28Å; L274-E278 PolarHBondContact O-N 2.91Å
279	N	97	Very high	97.1	Very high	113 Å²	113	67.3 Å²	67.3	60%	0.604	33%	0.328	S	S	*	.	S	Bend	trans	-98.6	-3.9	-171.6	-57.6	-15.2	0	0	0	114.4	V270 Q275	V270-N279 HydrophobicContact CG1-CB 4.48Å; Q275-N279 VanDerWaalsContact O-CB 3.23Å; Q275-N279 WeakPolarHBondContact O-CB 3.35Å; Q275-N279 PolarHBondContact O-N 3.14Å
280	V	96.5	Very high	97.1	Very high	14 Å²	14	61.1 Å²	61.1	9%	0.085	31%	0.307	C	S	.	.	S	Bend	trans	-130.2	126.5	-173.2	-170.4	0	0	0	0	110.6	F268 V270 L276 Q284 L285	F268-V280 HydrophobicContact CB-CG2 3.67Å; F268-V280 HydrophobicContact CD1-CG1 3.81Å; F268-V280 HydrophobicContact CD1-CG2 4.03Å; F268-V280 HydrophobicContact CD2-CG1 3.91Å; F268-V280 HydrophobicContact CD2-CG2 3.99Å; F268-V280 HydrophobicContact CE1-CG1 3.68Å; F268-V280 HydrophobicContact CE2-CG1 3.77Å; F268-V280 HydrophobicContact CG-CB 4.47Å; F268-V280 HydrophobicContact CG-CG1 3.93Å; F268-V280 HydrophobicContact CG-CG2 3.63Å; F268-V280 HydrophobicContact CZ-CG1 3.66Å; V270-V280 HydrophobicContact CG1-CG2 4.46Å; L276-V280 HydrophobicContact CD1-CB 4.3Å; L276-V280 HydrophobicContact CD1-CG2 3.96Å; V280-Q284 HydrophobicContact CG1-CB 3.87Å; V280-L285 HydrophobicContact CG1-CD2 3.76Å; V280-L285 HydrophobicContact CG1-CG 3.99Å
281	S	96.5	Very high	97.1	Very high	54 Å²	54	68.6 Å²	68.6	38%	0.378	34%	0.339	S	S	.	.			trans	-75.4	155.2	179.4	84.7	0	0	0	0	111.9	D283 Q284 L285	S281-D283 PolarHBondContact O-N 2.6Å; S281-Q284 WeakPolarHBondContact O-CB 3.26Å; S281-Q284 PolarHBondContact O-N 2.88Å; S281-Q284 WeakPolarHBondContact OG-CG 3.43Å; S281-Q284 PolarHBondContact OG-N 3.44Å; S281-Q284 PolarHBondContact OG-OE1 2.83Å; S281-L285 PolarHBondContact O-N 3.24Å; S281-L285 VanDerWaalsContact O-N 3.15Å
282	R	96.1	Very high	97	Very high	128 Å²	128	70.9 Å²	70.9	48%	0.483	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-34.9	176.9	-63.8	-169.2	64.8	-154.6	-10	112.2	L285 V286 E294 N298	R282-L285 WeakPolarHBondContact O-CB 3.4Å; R282-L285 PolarHBondContact O-N 3.42Å; R282-V286 WeakPolarHBondContact O-CG2 3.43Å; R282-V286 PolarHBondContact O-N 3.21Å; R282-E294 IonicContact CZ-OE1 2.8Å; R282-E294 IonicContact CZ-OE2 3.89Å; R282-E294 IonicContact NE-OE1 3.18Å; R282-E294 PolarHBondContact NE-OE1 2.64Å; R282-E294 VanDerWaalsContact NH2-CD 3.28Å; R282-E294 IonicContact NH2-OE1 3.74Å; R282-E294 PolarHBondContact NH2-OE1 2.8Å; R282-E294 IonicContact NH2-OE2 2.65Å; R282-E294 PolarHBondContact NH2-OE2 2.65Å; R282-N298 PolarHBondContact NE-OD1 2.89Å
283	D	97.3	Very high	97	Very high	128 Å²	128	72.1 Å²	72.1	68%	0.684	35%	0.354	S	S	*	.	H	α-helix	trans	-67.3	-39.3	178	-60.6	-50.2	0	0	0	112.2	S281 L285 V286 E287	S281-D283 PolarHBondContact O-N 2.6Å; D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 3.46Å; D283-V286 PolarHBondContact O-N 3.24Å; D283-E287 WeakPolarHBondContact O-CB 3.41Å; D283-E287 PolarHBondContact O-N 3.04Å
284	Q	97.5	Very high	96.9	Very high	83 Å²	83	72.5 Å²	72.5	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-36.3	173	-70.3	170.6	-44.7	0	0	112	F268 V280 S281 L288	F268-Q284 HydrophobicContact CE1-CB 3.94Å; F268-Q284 HydrophobicContact CZ-CB 4.09Å; V280-Q284 HydrophobicContact CG1-CB 3.87Å; S281-Q284 WeakPolarHBondContact O-CB 3.26Å; S281-Q284 PolarHBondContact O-N 2.88Å; S281-Q284 WeakPolarHBondContact OG-CG 3.43Å; S281-Q284 PolarHBondContact OG-N 3.44Å; S281-Q284 PolarHBondContact OG-OE1 2.83Å; Q284-L288 WeakPolarHBondContact O-CB 3.4Å; Q284-L288 PolarHBondContact O-N 2.81Å; Q284-L288 VanDerWaalsContact O-N 3.09Å
285	L	97.3	Very high	96.9	Very high	3 Å²	3	73.7 Å²	73.7	2%	0.016	37%	0.37	C	S	.	.	H	α-helix	trans	-68.4	-42.4	172.6	-62	178.4	0	0	0	111.6	L264 F268 L276 V280 S281 R282 D283 E287 L288 V289 E294 L297 L301	L264-L285 HydrophobicContact CD2-CD2 3.92Å; F268-L285 HydrophobicContact CE2-CD2 3.76Å; F268-L285 HydrophobicContact CZ-CD2 4.32Å; L276-L285 HydrophobicContact CD1-CD2 4.02Å; V280-L285 HydrophobicContact CG1-CD2 3.76Å; V280-L285 HydrophobicContact CG1-CG 3.99Å; S281-L285 PolarHBondContact O-N 3.24Å; S281-L285 VanDerWaalsContact O-N 3.15Å; R282-L285 WeakPolarHBondContact O-CB 3.4Å; R282-L285 PolarHBondContact O-N 3.42Å; D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 3.46Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 2.95Å; L285-L288 PolarHBondContact O-N 3.42Å; L285-V289 WeakPolarHBondContact O-CG2 3.28Å; L285-V289 PolarHBondContact O-N 3.07Å; L285-E294 HydrophobicContact CB-CB 4.24Å; L285-E294 HydrophobicContact CB-CG 3.57Å; L285-E294 HydrophobicContact CD1-CG 4.44Å; L285-L297 HydrophobicContact CD1-CD2 4.24Å; L285-L297 HydrophobicContact CD2-CD2 4.09Å; L285-L301 HydrophobicContact CD1-CD1 4.29Å
286	V	97.8	Very high	96.8	Very high	39 Å²	39	74 Å²	74	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-41.7	174.9	168.1	0	0	0	0	111.4	R282 D283 G290 K291 E294	R282-V286 WeakPolarHBondContact O-CG2 3.43Å; R282-V286 PolarHBondContact O-N 3.21Å; D283-V286 PolarHBondContact O-N 3.24Å; V286-G290 WeakPolarHBondContact O-CA 3.4Å; V286-G290 PolarHBondContact O-N 3.18Å; V286-K291 HydrophobicContact CG1-CG 3.56Å; V286-K291 HydrophobicContact CG2-CG 4.26Å; V286-E294 HydrophobicContact CG2-CB 3.92Å; V286-E294 HydrophobicContact CG2-CG 3.76Å
287	E	97.7	Very high	96.8	Very high	171 Å²	171	74 Å²	74	80%	0.799	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-48.3	177.1	-170.9	-173	169.2	0	0	111.5	D283 L285	D283-E287 WeakPolarHBondContact O-CB 3.41Å; D283-E287 PolarHBondContact O-N 3.04Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 2.95Å
288	L	97.2	Very high	96.7	Very high	56 Å²	56	71 Å²	71	29%	0.293	36%	0.358	S	S	.	.	H	α-helix	trans	-77.3	-39.3	-173.7	-174.9	66.3	0	0	0	114.3	L263 L264 S267 F268 Q284 L285	L263-L288 HydrophobicContact CD1-CD1 4.14Å; L263-L288 HydrophobicContact CD2-CD1 4.38Å; L263-L288 HydrophobicContact CD2-CG 4.31Å; L263-L288 HydrophobicContact CG-CD1 4.23Å; L263-L288 HydrophobicContact CG-CD2 4.21Å; L263-L288 HydrophobicContact CG-CG 4.27Å; L264-L288 HydrophobicContact CD2-CD2 4.32Å; S267-L288 VanDerWaalsContact CB-CD2 3.48Å; F268-L288 HydrophobicContact CD2-CD2 4.21Å; F268-L288 HydrophobicContact CE2-CD2 3.38Å; F268-L288 HydrophobicContact CZ-CB 4.14Å; F268-L288 HydrophobicContact CZ-CD2 3.63Å; Q284-L288 WeakPolarHBondContact O-CB 3.4Å; Q284-L288 PolarHBondContact O-N 2.81Å; Q284-L288 VanDerWaalsContact O-N 3.09Å; L285-L288 PolarHBondContact O-N 3.42Å
289	V	95.9	Very high	96.7	Very high	20 Å²	20	68.6 Å²	68.6	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-122.3	-2.6	-171.3	-57.5	0	0	0	0	114.6	L260 L263 L264 L285 T293	L260-V289 HydrophobicContact CD1-CB 4.35Å; L260-V289 HydrophobicContact CD1-CG1 3.69Å; L263-V289 HydrophobicContact CD2-CG1 4.43Å; L264-V289 HydrophobicContact CD2-CG1 4.07Å; L285-V289 WeakPolarHBondContact O-CG2 3.28Å; L285-V289 PolarHBondContact O-N 3.07Å; V289-T293 HydrophobicContact CB-CG2 3.92Å; V289-T293 HydrophobicContact CG2-CG2 3.91Å; V289-T293 WeakPolarHBondContact O-CB 2.77Å; V289-T293 PolarHBondContact O-OG1 2.85Å
290	G	96.9	Very high	96.7	Very high	30 Å²	30	63.4 Å²	63.4	31%	0.309	32%	0.32	S	S	.	.			trans	78.8	149.1	178.9	0	0	0	0	0	114	V286 K292 T293 E294	V286-G290 WeakPolarHBondContact O-CA 3.4Å; V286-G290 PolarHBondContact O-N 3.18Å; G290-K292 VanDerWaalsContact C-N 3.26Å; G290-K292 PolarHBondContact O-N 2.98Å; G290-T293 PolarHBondContact O-N 3.18Å; G290-E294 PolarHBondContact O-N 2.82Å
291	K	96.8	Very high	96.7	Very high	162 Å²	162	63.1 Å²	63.1	70%	0.704	32%	0.318	S	S	*	.	H	α-helix	trans	-48	-38.5	-173.6	-64.6	-174.9	178	-175.3	0	115.1	V286 A295	V286-K291 HydrophobicContact CG1-CG 3.56Å; V286-K291 HydrophobicContact CG2-CG 4.26Å; K291-A295 VanDerWaalsContact O-CB 3.32Å; K291-A295 WeakPolarHBondContact O-CB 3.47Å; K291-A295 PolarHBondContact O-N 2.97Å
292	K	95.5	Very high	96.6	Very high	189 Å²	189	63.6 Å²	63.6	82%	0.822	32%	0.316	S	S	*	.	H	α-helix	trans	-68.8	-40.2	179.6	-177.1	178	177.5	-179.9	0	112.5	G290 W296	G290-K292 VanDerWaalsContact C-N 3.26Å; G290-K292 PolarHBondContact O-N 2.98Å; K292-W296 PolarHBondContact O-N 3.16Å
293	T	96.1	Very high	96.5	Very high	44 Å²	44	57.5 Å²	57.5	27%	0.27	29%	0.294	S	S	.	.	H	α-helix	trans	-75.6	-39.3	-179.9	-40.6	0	0	0	0	110.3	L260 V289 G290 W296 L297	L260-T293 HydrophobicContact CD1-CG2 4.21Å; L260-T293 HydrophobicContact CD2-CG2 3.91Å; V289-T293 HydrophobicContact CB-CG2 3.92Å; V289-T293 HydrophobicContact CG2-CG2 3.91Å; V289-T293 WeakPolarHBondContact O-CB 2.77Å; V289-T293 PolarHBondContact O-OG1 2.85Å; G290-T293 PolarHBondContact O-N 3.18Å; T293-W296 HydrophobicContact CG2-CE3 4.4Å; T293-W296 PolarHBondContact O-N 2.96Å; T293-L297 VanDerWaalsContact O-CB 3.23Å; T293-L297 WeakPolarHBondContact O-CB 3.29Å; T293-L297 PolarHBondContact O-N 3.09Å
294	E	96.9	Very high	96.4	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-47.1	174	-174.9	-80.8	150.1	0	0	112	R282 L285 V286 G290 W296 L297 N298	R282-E294 IonicContact CZ-OE1 2.8Å; R282-E294 IonicContact CZ-OE2 3.89Å; R282-E294 IonicContact NE-OE1 3.18Å; R282-E294 PolarHBondContact NE-OE1 2.64Å; R282-E294 VanDerWaalsContact NH2-CD 3.28Å; R282-E294 IonicContact NH2-OE1 3.74Å; R282-E294 PolarHBondContact NH2-OE1 2.8Å; R282-E294 IonicContact NH2-OE2 2.65Å; R282-E294 PolarHBondContact NH2-OE2 2.65Å; L285-E294 HydrophobicContact CB-CB 4.24Å; L285-E294 HydrophobicContact CB-CG 3.57Å; L285-E294 HydrophobicContact CD1-CG 4.44Å; V286-E294 HydrophobicContact CG2-CB 3.92Å; V286-E294 HydrophobicContact CG2-CG 3.76Å; G290-E294 PolarHBondContact O-N 2.82Å; E294-W296 VanDerWaalsContact C-N 3.25Å; E294-W296 PolarHBondContact O-N 3.35Å; E294-L297 CarbonylContact O-C 3.48Å; E294-L297 PolarHBondContact O-N 2.9Å; E294-N298 PolarHBondContact O-N 2.81Å
295	A	96.5	Very high	96.3	Very high	50 Å²	50	51.1 Å²	51.1	41%	0.413	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-33.5	-178.9	0	0	0	0	0	113.1	K291	K291-A295 VanDerWaalsContact O-CB 3.32Å; K291-A295 WeakPolarHBondContact O-CB 3.47Å; K291-A295 PolarHBondContact O-N 2.97Å
296	W	95.9	Very high	96.1	Very high	79 Å²	79	57.9 Å²	57.9	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-71.4	-47.1	169.7	165.7	75.9	0	0	0	111.6	M255 L256 L260 K292 T293 E294 N298 L299 I300	M255-W296 HydrophobicContact CB-CH2 3.83Å; M255-W296 HydrophobicContact CB-CZ2 3.85Å; M255-W296 HydrophobicContact CG-CZ2 4.21Å; L256-W296 HydrophobicContact CD2-CH2 3.79Å; L256-W296 HydrophobicContact CD2-CZ3 3.91Å; L256-W296 HydrophobicContact CG-CH2 4.08Å; L260-W296 HydrophobicContact CD2-CZ3 3.96Å; K292-W296 PolarHBondContact O-N 3.16Å; T293-W296 HydrophobicContact CG2-CE3 4.4Å; T293-W296 PolarHBondContact O-N 2.96Å; E294-W296 VanDerWaalsContact C-N 3.25Å; E294-W296 PolarHBondContact O-N 3.35Å; W296-N298 VanDerWaalsContact C-N 3.35Å; W296-N298 PolarHBondContact O-N 2.73Å; W296-L299 PolarHBondContact O-N 3.23Å; W296-I300 HydrophobicContact CD2-CG1 4.13Å; W296-I300 HydrophobicContact CG-CG1 4.42Å; W296-I300 HydrophobicContact CZ2-CD1 4.2Å; W296-I300 HydrophobicContact CZ2-CG1 3.82Å; W296-I300 WeakPolarHBondContact O-CG1 3.35Å; W296-I300 PolarHBondContact O-N 2.83Å; W296-I300 VanDerWaalsContact O-N 3.11Å
297	L	96.9	Very high	95.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-35.9	-177.4	-178.9	60.1	0	0	0	112.7	L256 L264 L276 L285 T293 E294 I300 L301	L256-L297 HydrophobicContact CD1-CD1 4.15Å; L264-L297 HydrophobicContact CD1-CD1 4.37Å; L264-L297 HydrophobicContact CD1-CD2 3.81Å; L264-L297 HydrophobicContact CD2-CD2 3.89Å; L276-L297 HydrophobicContact CD2-CD1 4.26Å; L276-L297 HydrophobicContact CD2-CD2 4.39Å; L285-L297 HydrophobicContact CD1-CD2 4.24Å; L285-L297 HydrophobicContact CD2-CD2 4.09Å; T293-L297 VanDerWaalsContact O-CB 3.23Å; T293-L297 WeakPolarHBondContact O-CB 3.29Å; T293-L297 PolarHBondContact O-N 3.09Å; E294-L297 CarbonylContact O-C 3.48Å; E294-L297 PolarHBondContact O-N 2.9Å; L297-I300 PolarHBondContact O-N 3.45Å; L297-L301 HydrophobicContact CD1-CD1 4.22Å; L297-L301 HydrophobicContact CD1-CG 4.22Å; L297-L301 HydrophobicContact CG-CD1 3.88Å; L297-L301 HydrophobicContact CG-CG 4.37Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 VanDerWaalsContact O-CG 3.25Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 2.99Å
298	N	96.2	Very high	95.8	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-47.8	175.2	-178.8	99.3	0	0	0	111.1	R277 R282 E294 W296 I300 L301 D302	R277-N298 PolarHBondContact NH1-OD1 3.25Å; R277-N298 PolarHBondContact NH2-OD1 3.2Å; R282-N298 PolarHBondContact NE-OD1 2.89Å; E294-N298 PolarHBondContact O-N 2.81Å; W296-N298 VanDerWaalsContact C-N 3.35Å; W296-N298 PolarHBondContact O-N 2.73Å; N298-I300 VanDerWaalsContact C-N 3.31Å; N298-I300 PolarHBondContact O-N 2.95Å; N298-L301 PolarHBondContact O-N 2.94Å; N298-D302 PolarHBondContact ND2-OD2 3.42Å; N298-D302 PolarHBondContact O-N 3.08Å
299	L	96.1	Very high	95.8	Very high	49 Å²	49	52.6 Å²	52.6	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-45.5	176.7	-66.1	174.1	0	0	0	110.8	W296 L301 D302 G303 I304	W296-L299 PolarHBondContact O-N 3.23Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 3.12Å; L299-D302 CarbonylContact O-C 3.57Å; L299-D302 PolarHBondContact O-N 2.9Å; L299-D302 VanDerWaalsContact O-N 3.11Å; L299-G303 PolarHBondContact O-N 3.49Å; L299-I304 CarbonylContact C-O 3.52Å; L299-I304 VanDerWaalsContact C-O 3.22Å; L299-I304 HydrophobicContact CB-CB 4.24Å; L299-I304 WeakPolarHBondContact CB-O 3.23Å; L299-I304 HydrophobicContact CD2-CG2 4.36Å; L299-I304 WeakPolarHBondContact O-CA 3.36Å; L299-I304 WeakPolarHBondContact O-CB 3.3Å; L299-I304 PolarHBondContact O-N 2.89Å
300	I	96.6	Very high	95.7	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-38	177.5	-70.4	-69.3	0	0	0	112.3	M219 F245 V253 M273 W296 L297 N298 D302 G303 D305	M219-I300 HydrophobicContact CE-CD1 4.16Å; M219-I300 HydrophobicContact SD-CB 4.41Å; M219-I300 HydrophobicContact SD-CD1 3.55Å; M219-I300 VanDerWaalsContact SD-CD1 3.55Å; M219-I300 HydrophobicContact SD-CG2 3.77Å; F245-I300 VanDerWaalsContact CE2-O 3.26Å; F245-I300 WeakPolarHBondContact CE2-O 3.15Å; V253-I300 HydrophobicContact CG1-CG2 4.09Å; M273-I300 HydrophobicContact CE-CG2 3.76Å; W296-I300 HydrophobicContact CD2-CG1 4.13Å; W296-I300 HydrophobicContact CG-CG1 4.42Å; W296-I300 HydrophobicContact CZ2-CD1 4.2Å; W296-I300 HydrophobicContact CZ2-CG1 3.82Å; W296-I300 WeakPolarHBondContact O-CG1 3.35Å; W296-I300 PolarHBondContact O-N 2.83Å; W296-I300 VanDerWaalsContact O-N 3.11Å; L297-I300 PolarHBondContact O-N 3.45Å; N298-I300 VanDerWaalsContact C-N 3.31Å; N298-I300 PolarHBondContact O-N 2.95Å; I300-D302 VanDerWaalsContact C-N 3.35Å; I300-G303 PolarHBondContact O-N 3.48Å; I300-G303 VanDerWaalsContact O-N 3.14Å; I300-D305 HydrophobicContact CD1-CB 4.11Å
301	L	96.4	Very high	95.5	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-71.3	-26.6	175.9	-74	163.8	0	0	0	113.5	F245 M273 L276 R277 L285 L297 N298 L299	F245-L301 WeakPolarHBondContact CD2-O 3.37Å; F245-L301 WeakPolarHBondContact CE2-O 3.39Å; M273-L301 HydrophobicContact CE-CD2 3.66Å; M273-L301 HydrophobicContact CE-CG 4.25Å; M273-L301 VanDerWaalsContact O-CD2 3.22Å; M273-L301 WeakPolarHBondContact O-CD2 3.38Å; M273-L301 HydrophobicContact SD-CD2 4.45Å; L276-L301 HydrophobicContact CB-CD2 3.99Å; L276-L301 HydrophobicContact CD2-CD1 4.36Å; L276-L301 HydrophobicContact CD2-CD2 4Å; L276-L301 HydrophobicContact CG-CD1 4.2Å; L276-L301 HydrophobicContact CG-CD2 3.99Å; R277-L301 HydrophobicContact CB-CB 4.26Å; R277-L301 HydrophobicContact CB-CD2 4.04Å; R277-L301 HydrophobicContact CG-CB 4.31Å; L285-L301 HydrophobicContact CD1-CD1 4.29Å; L297-L301 HydrophobicContact CD1-CD1 4.22Å; L297-L301 HydrophobicContact CD1-CG 4.22Å; L297-L301 HydrophobicContact CG-CD1 3.88Å; L297-L301 HydrophobicContact CG-CG 4.37Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 VanDerWaalsContact O-CG 3.25Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 2.99Å; N298-L301 PolarHBondContact O-N 2.94Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 3.12Å
302	D	94.2	Very high	95.2	Very high	64 Å²	64	52.8 Å²	52.8	34%	0.342	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.9	170.4	-63.4	-35.5	0	0	0	112.5	R277 N298 L299 I300 I304	R277-D302 IonicContact CZ-OD1 3.82Å; R277-D302 IonicContact CZ-OD2 3.65Å; R277-D302 IonicContact NE-OD1 3.74Å; R277-D302 PolarHBondContact NE-OD1 3.17Å; R277-D302 IonicContact NH2-OD1 3.01Å; R277-D302 PolarHBondContact NH2-OD1 3.25Å; R277-D302 IonicContact NH2-OD2 3.88Å; R277-D302 PolarHBondContact NH2-OD2 2.92Å; N298-D302 PolarHBondContact ND2-OD2 3.42Å; N298-D302 PolarHBondContact O-N 3.08Å; L299-D302 CarbonylContact O-C 3.57Å; L299-D302 PolarHBondContact O-N 2.9Å; L299-D302 VanDerWaalsContact O-N 3.11Å; I300-D302 VanDerWaalsContact C-N 3.35Å; D302-I304 VanDerWaalsContact C-N 3.33Å; D302-I304 HydrophobicContact CB-CD1 4.31Å; D302-I304 HydrophobicContact CB-CG1 4.44Å
303	G	95	Very high	94.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	4.4	179.9	0	0	0	0	0	114.9	N217 M219 L220 L299 I300	N217-G303 PolarHBondContact ND2-O 2.97Å; M219-G303 WeakPolarHBondContact CE-O 3.24Å; L220-G303 WeakPolarHBondContact CD1-O 3.21Å; L299-G303 PolarHBondContact O-N 3.49Å; I300-G303 PolarHBondContact O-N 3.48Å; I300-G303 VanDerWaalsContact O-N 3.14Å
304	I	94.9	Very high	94.2	Very high	66 Å²	66	49 Å²	49	34%	0.338	26%	0.255	S	S	.	.			trans	-94.5	111.3	-173.4	-57	172.5	0	0	0	110.3	L299 D302 R306	L299-I304 CarbonylContact C-O 3.52Å; L299-I304 VanDerWaalsContact C-O 3.22Å; L299-I304 HydrophobicContact CB-CB 4.24Å; L299-I304 WeakPolarHBondContact CB-O 3.23Å; L299-I304 HydrophobicContact CD2-CG2 4.36Å; L299-I304 WeakPolarHBondContact O-CA 3.36Å; L299-I304 WeakPolarHBondContact O-CB 3.3Å; L299-I304 PolarHBondContact O-N 2.89Å; D302-I304 VanDerWaalsContact C-N 3.33Å; D302-I304 HydrophobicContact CB-CD1 4.31Å; D302-I304 HydrophobicContact CB-CG1 4.44Å; I304-R306 HydrophobicContact CG2-CG 4.1Å
305	D	95	Very high	93.8	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.059	27%	0.271	C	S	.	.			trans	-112.5	112	167.6	171.1	20.2	0	0	0	110.1	R6 N217 M219 I300 E307	R6-D305 PolarHBondContact NH2-O 3.48Å; N217-D305 HydrophobicContact CB-CB 3.88Å; N217-D305 WeakPolarHBondContact CB-O 3.38Å; N217-D305 PolarHBondContact ND2-N 2.69Å; M219-D305 HydrophobicContact CB-CB 3.74Å; M219-D305 HydrophobicContact CE-CB 4.43Å; M219-D305 PolarHBondContact N-OD2 3.5Å; I300-D305 HydrophobicContact CD1-CB 4.11Å; D305-E307 VanDerWaalsContact C-N 3.28Å; D305-E307 PolarHBondContact O-N 3.34Å; D305-E307 VanDerWaalsContact OD1-CB 3.25Å; D305-E307 WeakPolarHBondContact OD1-CB 3.47Å; D305-E307 PolarHBondContact OD1-N 3.16Å
306	R	93.5	Very high	93.6	Very high	145 Å²	145	56 Å²	56	55%	0.547	28%	0.284	S	S	.	.			trans	-81.9	0.9	-178	-67.1	-176.6	167.7	-168	-20.9	113.8	E3 I304	E3-R306 VanDerWaalsContact CD-NH2 3.34Å; E3-R306 VanDerWaalsContact OE1-CD 3.25Å; E3-R306 WeakPolarHBondContact OE1-CD 3.47Å; E3-R306 IonicContact OE1-CZ 3.74Å; E3-R306 IonicContact OE1-NE 2.73Å; E3-R306 PolarHBondContact OE1-NE 3.17Å; E3-R306 IonicContact OE1-NH1 2.65Å; E3-R306 IonicContact OE1-NH2 3.1Å; E3-R306 PolarHBondContact OE1-NH2 3.3Å; E3-R306 IonicContact OE2-CZ 3.51Å; E3-R306 IonicContact OE2-NE 3.19Å; E3-R306 PolarHBondContact OE2-NE 2.94Å; E3-R306 IonicContact OE2-NH2 2.71Å; E3-R306 PolarHBondContact OE2-NH2 3.16Å; I304-R306 HydrophobicContact CG2-CG 4.1Å
307	E	94.4	Very high	93.5	Very high	67 Å²	67	55.1 Å²	55.1	31%	0.313	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.2	129.9	178.3	-167	178.2	95.4	0	0	111.2	R6 K218 R254 D305	R6-E307 PolarHBondContact NH1-O 3.35Å; R6-E307 VanDerWaalsContact NH1-O 3.07Å; K218-E307 HydrophobicContact CD-CB 4.19Å; K218-E307 HydrophobicContact CD-CG 4.13Å; K218-E307 WeakPolarHBondContact CE-OE1 3.35Å; K218-E307 IonicContact NZ-OE1 2.7Å; K218-E307 PolarHBondContact NZ-OE1 2.75Å; R254-E307 IonicContact CZ-OE1 3.5Å; R254-E307 IonicContact CZ-OE2 3.25Å; R254-E307 IonicContact NH1-OE1 2.6Å; R254-E307 PolarHBondContact NH1-OE1 2.76Å; R254-E307 IonicContact NH1-OE2 2.75Å; R254-E307 IonicContact NH2-OE1 2.73Å; R254-E307 PolarHBondContact NH2-OE1 3.01Å; R254-E307 VanDerWaalsContact NH2-OE1 3.08Å; R254-E307 IonicContact NH2-OE2 2.78Å; R254-E307 PolarHBondContact NH2-OE2 2.9Å; D305-E307 VanDerWaalsContact C-N 3.28Å; D305-E307 PolarHBondContact O-N 3.34Å; D305-E307 VanDerWaalsContact OD1-CB 3.25Å; D305-E307 WeakPolarHBondContact OD1-CB 3.47Å; D305-E307 PolarHBondContact OD1-N 3.16Å
308	P	95.2	Very high	93.5	Very high	76 Å²	76	55.9 Å²	55.9	49%	0.494	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.2	156	173.8	31	-34.5	0	0	0	111.4	K218 V310	K218-P308 WeakPolarHBondContact CD-O 3.37Å; K218-P308 PolarHBondContact NZ-O 3.21Å; P308-V310 HydrophobicContact CB-CG2 4.5Å; P308-V310 HydrophobicContact CG-CG2 3.96Å; P308-V310 PolarHBondContact O-N 3.21Å
309	V	96.4	Very high	93.5	Very high	12 Å²	12	56.4 Å²	56.4	7%	0.073	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-75.8	117.8	161.2	-175.5	0	0	0	0	107	V8 V108 E110 D120 K218	V8-V309 HydrophobicContact CG1-CG2 3.95Å; V8-V309 HydrophobicContact CG2-CG2 4.2Å; V108-V309 HydrophobicContact CG1-CB 4.43Å; V108-V309 HydrophobicContact CG1-CG1 4.09Å; V108-V309 WeakPolarHBondContact CG1-O 3.39Å; E110-V309 HydrophobicContact CB-CG1 3.61Å; E110-V309 WeakPolarHBondContact OE2-CA 3.26Å; D120-V309 HydrophobicContact CB-CB 3.96Å; D120-V309 HydrophobicContact CB-CG1 4.44Å; D120-V309 HydrophobicContact CB-CG2 4.02Å; K218-V309 HydrophobicContact CD-CG2 4.23Å; K218-V309 HydrophobicContact CG-CG2 4.16Å
310	V	93.9	Very high	93.5	Very high	76 Å²	76	54.3 Å²	54.3	46%	0.461	29%	0.294	S	S	.	.			trans	-105.1	114.5	-175.2	-179	0	0	0	0	109.7	E110 P308 R312	E110-V310 VanDerWaalsContact CB-O 3.25Å; E110-V310 WeakPolarHBondContact CB-O 3.38Å; E110-V310 VanDerWaalsContact CG-O 3.3Å; E110-V310 WeakPolarHBondContact CG-O 3.42Å; E110-V310 PolarHBondContact OE2-N 2.7Å; P308-V310 HydrophobicContact CB-CG2 4.5Å; P308-V310 HydrophobicContact CG-CG2 3.96Å; P308-V310 PolarHBondContact O-N 3.21Å; V310-R312 VanDerWaalsContact O-CB 3.3Å; V310-R312 WeakPolarHBondContact O-CB 3.24Å; V310-R312 PolarHBondContact O-N 2.66Å
311	A	93.4	Very high	93.5	Very high	80 Å²	80	57.2 Å²	57.2	66%	0.661	32%	0.315	S	S	*	.			trans	-42.1	108.5	177.1	0	0	0	0	0	111.9	V108 V109	V108-A311 HydrophobicContact CG1-CB 4.13Å; V109-A311 WeakPolarHBondContact O-CA 3.38Å
312	R	89.9	Confident	93.4	Very high	59 Å²	59	58.9 Å²	58.9	22%	0.223	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-159	86.3	-173.1	-173.8	176.2	68.8	-118.6	8.5	111	V109 E110 R111 V310 L314	V109-R312 PolarHBondContact O-N 2.87Å; E110-R312 HydrophobicContact CG-CB 4.36Å; E110-R312 VanDerWaalsContact CG-CZ 3.4Å; E110-R312 VanDerWaalsContact CG-NH2 3.29Å; E110-R312 IonicContact OE1-CZ 2.72Å; E110-R312 IonicContact OE1-NH1 3.21Å; E110-R312 PolarHBondContact OE1-NH1 3.07Å; E110-R312 IonicContact OE1-NH2 2.93Å; E110-R312 PolarHBondContact OE1-NH2 2.93Å; R111-R312 WeakPolarHBondContact CB-O 3.25Å; R111-R312 PolarHBondContact N-O 2.97Å; R111-R312 PolarHBondContact O-NE 3.25Å; R111-R312 VanDerWaalsContact O-NE 3.16Å; R111-R312 PolarHBondContact O-NH2 3.41Å; V310-R312 VanDerWaalsContact O-CB 3.3Å; V310-R312 WeakPolarHBondContact O-CB 3.24Å; V310-R312 PolarHBondContact O-N 2.66Å; R312-L314 VanDerWaalsContact CG-O 3.29Å; R312-L314 WeakPolarHBondContact CG-O 3.23Å
313	R	84.5	Confident	93.3	Very high	101 Å²	101	60.2 Å²	60.2	38%	0.381	33%	0.329	S	S	.	.			trans	-70.3	-32.5	169.5	-172.4	176.8	171.4	-149.3	-0.7	112.3	D100 S103 R111	D100-R313 IonicContact OD1-CZ 2.7Å; D100-R313 IonicContact OD1-NE 3.88Å; D100-R313 PolarHBondContact OD1-NE 3.14Å; D100-R313 IonicContact OD1-NH2 2.64Å; D100-R313 PolarHBondContact OD1-NH2 3.47Å; D100-R313 IonicContact OD2-NH2 3.31Å; S103-R313 WeakPolarHBondContact OG-CD 3.31Å; R111-R313 WeakPolarHBondContact CD-O 3.3Å; R111-R313 PolarHBondContact NH1-O 2.87Å
314	L	87.3	Confident	93.2	Very high	52 Å²	52	60.3 Å²	60.3	27%	0.272	33%	0.329	S	S	.	.	S	Bend	trans	-104.3	148.9	-167.2	-52.3	-173.4	0	0	0	114	R312 N364	R312-L314 VanDerWaalsContact CG-O 3.29Å; R312-L314 WeakPolarHBondContact CG-O 3.23Å; L314-N364 HydrophobicContact CD1-CB 3.7Å; L314-N364 WeakPolarHBondContact CD2-OD1 3.25Å
315	A	88.7	Confident	92.8	Very high	45 Å²	45	60.9 Å²	60.9	37%	0.372	34%	0.337	S	S	.	.			trans	-70.1	137.9	171.9	0	0	0	0	0	111.2	S317 R366	A315-S317 VanDerWaalsContact C-N 3.26Å; A315-S317 PolarHBondContact O-N 2.94Å; A315-R366 PolarHBondContact O-NH1 3.03Å; A315-R366 PolarHBondContact O-NH2 3.22Å
316	K	90.8	Very high	92.2	Very high	160 Å²	160	61.9 Å²	61.9	70%	0.696	35%	0.35	S	S	*	.	S	Bend	trans	-72.4	-16.3	177.8	-63.1	-170.7	178.7	-174	0	113.8
317	S	95	Very high	91.7	Very high	62 Å²	62	65.2 Å²	65.2	43%	0.434	37%	0.368	S	S	.	.			trans	-145.8	150.4	177.5	56.6	0	0	0	0	111.1	A315 A442	A315-S317 VanDerWaalsContact C-N 3.26Å; A315-S317 PolarHBondContact O-N 2.94Å; S317-A442 CarbonylContact C-O 3.59Å; S317-A442 VanDerWaalsContact CA-O 3.24Å; S317-A442 WeakPolarHBondContact CA-O 3.15Å; S317-A442 WeakPolarHBondContact CB-O 3.24Å
318	I	95.7	Very high	91.4	Very high	15 Å²	15	66.8 Å²	66.8	8%	0.077	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.7	172	-68.3	-178	0	0	0	106.8	L347 R350 L351 D354 W441 A442 F445	I318-L347 HydrophobicContact CG2-CD1 3.96Å; I318-L347 VanDerWaalsContact O-CD1 3.27Å; I318-L347 WeakPolarHBondContact O-CD1 3.2Å; I318-R350 HydrophobicContact CG2-CB 3.94Å; I318-L351 HydrophobicContact CB-CD2 4.31Å; I318-L351 HydrophobicContact CD1-CD2 4.28Å; I318-L351 HydrophobicContact CG2-CD2 4.45Å; I318-D354 HydrophobicContact CD1-CB 3.71Å; I318-W441 WeakPolarHBondContact O-CA 3.2Å; I318-A442 PolarHBondContact N-O 3.34Å; I318-A442 PolarHBondContact O-N 3.04Å; I318-F445 HydrophobicContact CB-CZ 4.21Å; I318-F445 HydrophobicContact CD1-CE1 4.31Å; I318-F445 HydrophobicContact CD1-CZ 3.79Å; I318-F445 HydrophobicContact CG1-CE2 4.4Å; I318-F445 HydrophobicContact CG1-CZ 3.79Å
319	G	96.5	Very high	91.1	Very high	31 Å²	31	63.6 Å²	63.6	32%	0.32	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.4	-179	0	0	0	0	0	114.8	R350 L440	G319-R350 VanDerWaalsContact O-CZ 3.29Å; G319-R350 PolarHBondContact O-NH1 2.78Å; G319-R350 PolarHBondContact O-NH2 3.32Å; G319-L440 CarbonylContact C-O 3.53Å; G319-L440 WeakPolarHBondContact CA-O 3.44Å
320	C	96.7	Very high	90.9	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.034	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.2	177.7	57.1	0	0	0	0	109.1	L343 E346 A439 L440	C320-L343 HydrophobicContact CB-CD2 4.04Å; C320-L343 PolarHBondContact SG-O 2.88Å; C320-E346 HydrophobicContact CB-CB 4.45Å; C320-E346 WeakPolarHBondContact CB-OE2 3.47Å; C320-A439 CarbonylContact O-C 3.53Å; C320-A439 WeakPolarHBondContact O-CA 3.47Å; C320-L440 PolarHBondContact N-O 2.6Å; C320-L440 PolarHBondContact O-N 3.28Å
321	S	95.8	Very high	90.6	Very high	67 Å²	67	63.5 Å²	63.5	47%	0.469	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.3	-179.2	63.1	0	0	0	0	112.5	K85 L438	K85-S321 WeakPolarHBondContact CE-O 3.2Å; S321-L438 CarbonylContact C-O 3.56Å; S321-L438 WeakPolarHBondContact CA-O 3.25Å
322	K	95.1	Very high	90.3	Very high	41 Å²	41	61.8 Å²	61.8	18%	0.178	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	129.8	177.3	179.2	60.4	169.5	52.5	0	110.3	K85 F324 W339 L343 M437 L438	K85-K322 HydrophobicContact CB-CD 4Å; K322-F324 HydrophobicContact CB-CE1 4.44Å; K322-F324 HydrophobicContact CB-CE2 4.07Å; K322-F324 HydrophobicContact CB-CZ 3.77Å; K322-F324 HydrophobicContact CD-CE1 4.47Å; K322-F324 HydrophobicContact CG-CD1 4.23Å; K322-F324 HydrophobicContact CG-CE1 3.46Å; K322-F324 VanDerWaalsContact CG-CE1 3.46Å; K322-F324 HydrophobicContact CG-CE2 3.9Å; K322-F324 HydrophobicContact CG-CZ 3.26Å; K322-F324 WeakPolarHBondContact O-CD2 3.07Å; K322-F324 WeakPolarHBondContact O-CE2 3.24Å; K322-W339 HydrophobicContact CG-CE3 4.18Å; K322-W339 HydrophobicContact CG-CZ3 4.05Å; K322-L343 HydrophobicContact CB-CD2 4.42Å; K322-M437 WeakPolarHBondContact O-CA 3.31Å; K322-L438 PolarHBondContact N-O 3.05Å; K322-L438 PolarHBondContact O-N 3.2Å
323	N	92.9	Very high	90.3	Very high	92 Å²	92	59.8 Å²	59.8	49%	0.492	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	150.7	171.9	-65.8	0	0	0	0	111.1	T436 M437	N323-T436 CarbonylContact C-O 3.18Å; N323-T436 WeakPolarHBondContact CA-O 3.48Å; N323-M437 WeakPolarHBondContact OD1-CG 3.5Å
324	F	91.8	Very high	90.6	Very high	3 Å²	3	63 Å²	63	1%	0.013	34%	0.341	C	S	.	.			trans	-136.6	62.8	-174.9	-55.1	-76.2	0	0	0	110.5	K322 G326 I328 A329 L330 W339 T436 L438	K322-F324 HydrophobicContact CB-CE1 4.44Å; K322-F324 HydrophobicContact CB-CE2 4.07Å; K322-F324 HydrophobicContact CB-CZ 3.77Å; K322-F324 HydrophobicContact CD-CE1 4.47Å; K322-F324 HydrophobicContact CG-CD1 4.23Å; K322-F324 HydrophobicContact CG-CE1 3.46Å; K322-F324 VanDerWaalsContact CG-CE1 3.46Å; K322-F324 HydrophobicContact CG-CE2 3.9Å; K322-F324 HydrophobicContact CG-CZ 3.26Å; K322-F324 WeakPolarHBondContact O-CD2 3.07Å; K322-F324 WeakPolarHBondContact O-CE2 3.24Å; F324-G326 PolarHBondContact O-N 3.27Å; F324-I328 WeakPolarHBondContact CB-O 3.27Å; F324-A329 WeakPolarHBondContact O-CA 3.38Å; F324-A329 WeakPolarHBondContact O-CB 3.41Å; F324-A329 PolarHBondContact O-N 3.46Å; F324-L330 HydrophobicContact CD1-CD2 3.66Å; F324-L330 HydrophobicContact CD1-CG 4.2Å; F324-L330 HydrophobicContact CD2-CD1 4.11Å; F324-L330 HydrophobicContact CD2-CD2 4.41Å; F324-L330 HydrophobicContact CD2-CG 4.05Å; F324-L330 HydrophobicContact CE1-CD1 4.41Å; F324-L330 HydrophobicContact CE1-CD2 3.85Å; F324-L330 HydrophobicContact CE1-CG 4.42Å; F324-L330 HydrophobicContact CE2-CD1 3.86Å; F324-L330 HydrophobicContact CE2-CG 4.27Å; F324-L330 HydrophobicContact CG-CD1 4.48Å; F324-L330 HydrophobicContact CG-CD2 3.96Å; F324-L330 HydrophobicContact CG-CG 4Å; F324-L330 HydrophobicContact CZ-CD1 4.02Å; F324-L330 HydrophobicContact CZ-CD2 4.3Å; F324-L330 HydrophobicContact CZ-CG 4.45Å; F324-W339 AromaticContact CE1-CD1 3.83Å; F324-W339 AromaticContact CE1-CD2 3.55Å; F324-W339 HydrophobicContact CE1-CD2 3.55Å; F324-W339 AromaticContact CE1-CE2 3.45Å; F324-W339 VanDerWaalsContact CE1-CE2 3.45Å; F324-W339 HydrophobicContact CE1-CE3 4.1Å; F324-W339 AromaticContact CE1-CG 3.82Å; F324-W339 HydrophobicContact CE1-CG 3.82Å; F324-W339 HydrophobicContact CE1-CH2 4.42Å; F324-W339 AromaticContact CE1-CZ2 3.92Å; F324-W339 HydrophobicContact CE1-CZ2 3.92Å; F324-W339 AromaticContact CE1-NE1 3.62Å; F324-W339 HydrophobicContact CZ-CB 3.98Å; F324-W339 AromaticContact CZ-CD1 3.89Å; F324-W339 AromaticContact CZ-CD2 3.5Å; F324-W339 HydrophobicContact CZ-CD2 3.5Å; F324-W339 AromaticContact CZ-CE2 3.94Å; F324-W339 AromaticContact CZ-CE3 3.91Å; F324-W339 HydrophobicContact CZ-CE3 3.91Å; F324-W339 AromaticContact CZ-CG 3.51Å; F324-W339 HydrophobicContact CZ-CG 3.51Å; F324-T436 PolarHBondContact N-O 3.3Å; F324-L438 HydrophobicContact CE2-CB 4.1Å; F324-L438 HydrophobicContact CE2-CD1 4.24Å; F324-L438 HydrophobicContact CE2-CG 4.11Å
325	P	85.6	Confident	90.9	Very high	79 Å²	79	63.2 Å²	63.2	51%	0.513	34%	0.342	S	S	.	.			trans	-67.3	132.6	-173.9	26.6	-35.7	0	0	0	113.5	K327 I328	P325-K327 PolarHBondContact O-N 2.94Å; P325-I328 WeakPolarHBondContact O-CG1 3.48Å; P325-I328 PolarHBondContact O-N 3.42Å
326	G	82.5	Confident	91.1	Very high	31 Å²	31	61 Å²	61	32%	0.32	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	59.2	-115.2	167	0	0	0	0	0	114.6	F324 I328 A329 E378	F324-G326 PolarHBondContact O-N 3.27Å; G326-I328 PolarHBondContact O-N 3Å; G326-A329 VanDerWaalsContact O-CB 3.24Å; G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 2.89Å; G326-E378 WeakPolarHBondContact CA-OE1 3.01Å
327	K	83.8	Confident	91.3	Very high	215 Å²	215	58 Å²	58	94%	0.935	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-60.8	-19.5	-174.1	-70	-168.1	177.8	-174.5	0	114.5	P325	P325-K327 PolarHBondContact O-N 2.94Å
328	I	88.2	Confident	91.4	Very high	101 Å²	101	59.9 Å²	59.9	52%	0.518	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-103.1	9	176.3	65.6	162.6	0	0	0	114	F324 P325 G326	F324-I328 WeakPolarHBondContact CB-O 3.27Å; P325-I328 WeakPolarHBondContact O-CG1 3.48Å; P325-I328 PolarHBondContact O-N 3.42Å; G326-I328 PolarHBondContact O-N 3Å
329	A	89.8	Confident	91.4	Very high	8 Å²	8	61.1 Å²	61.1	7%	0.066	32%	0.316	C	S	.	.			trans	-59.4	139.4	173.1	0	0	0	0	0	111	F324 G326 V435 T436	F324-A329 WeakPolarHBondContact O-CA 3.38Å; F324-A329 WeakPolarHBondContact O-CB 3.41Å; F324-A329 PolarHBondContact O-N 3.46Å; G326-A329 VanDerWaalsContact O-CB 3.24Å; G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 2.89Å; A329-V435 CarbonylContact C-O 3.58Å; A329-V435 WeakPolarHBondContact CA-O 3.44Å; A329-T436 HydrophobicContact CB-CG2 4.17Å
330	L	91.2	Very high	91.5	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-75.8	131.9	-173.7	-42.4	-179.2	0	0	0	110	F324 D335 V336 W339 V435 L438	F324-L330 HydrophobicContact CD1-CD2 3.66Å; F324-L330 HydrophobicContact CD1-CG 4.2Å; F324-L330 HydrophobicContact CD2-CD1 4.11Å; F324-L330 HydrophobicContact CD2-CD2 4.41Å; F324-L330 HydrophobicContact CD2-CG 4.05Å; F324-L330 HydrophobicContact CE1-CD1 4.41Å; F324-L330 HydrophobicContact CE1-CD2 3.85Å; F324-L330 HydrophobicContact CE1-CG 4.42Å; F324-L330 HydrophobicContact CE2-CD1 3.86Å; F324-L330 HydrophobicContact CE2-CG 4.27Å; F324-L330 HydrophobicContact CG-CD1 4.48Å; F324-L330 HydrophobicContact CG-CD2 3.96Å; F324-L330 HydrophobicContact CG-CG 4Å; F324-L330 HydrophobicContact CZ-CD1 4.02Å; F324-L330 HydrophobicContact CZ-CD2 4.3Å; F324-L330 HydrophobicContact CZ-CG 4.45Å; L330-D335 HydrophobicContact CB-CB 4.13Å; L330-D335 HydrophobicContact CD2-CB 4.21Å; L330-V336 HydrophobicContact CB-CG2 4.01Å; L330-V336 HydrophobicContact CD1-CG2 4.05Å; L330-W339 HydrophobicContact CD1-CB 4.17Å; L330-W339 HydrophobicContact CD1-CG 4.17Å; L330-V435 HydrophobicContact CB-CB 4.11Å; L330-V435 HydrophobicContact CG-CB 4.44Å; L330-V435 PolarHBondContact N-O 3.47Å; L330-V435 PolarHBondContact O-N 3.04Å; L330-L438 HydrophobicContact CD1-CD1 3.69Å; L330-L438 HydrophobicContact CD1-CG 4.4Å
331	R	86.8	Confident	91.5	Very high	78 Å²	78	63 Å²	63	29%	0.294	32%	0.315	S	S	.	.			trans	-125.3	-9.5	-172.4	-68.7	174.3	-164.1	-72.3	-12.5	113.7	E378 I422 W423 S424 S434	R331-E378 IonicContact NH2-OE1 2.6Å; R331-I422 VanDerWaalsContact O-CG2 3.23Å; R331-I422 WeakPolarHBondContact O-CG2 3.47Å; R331-W423 PolarHBondContact O-N 2.9Å; R331-S424 PolarHBondContact O-N 3.32Å; R331-S434 VanDerWaalsContact CZ-OG 3.31Å; R331-S434 VanDerWaalsContact NH1-CB 3.31Å; R331-S434 PolarHBondContact NH1-OG 2.7Å; R331-S434 VanDerWaalsContact NH1-OG 3.12Å; R331-S434 PolarHBondContact NH2-OG 3.17Å; R331-S434 VanDerWaalsContact NH2-OG 3.07Å
332	T	87.6	Confident	91.6	Very high	44 Å²	44	61 Å²	61	27%	0.27	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-120.4	152.8	175.3	80	0	0	0	0	112.3	K334 D335 V336 K421	T332-K334 PolarHBondContact O-N 3.2Å; T332-K334 PolarHBondContact OG1-N 3.46Å; T332-D335 WeakPolarHBondContact CB-OD2 3.39Å; T332-D335 WeakPolarHBondContact CG2-OD2 3.33Å; T332-D335 PolarHBondContact N-OD2 3.32Å; T332-D335 PolarHBondContact O-N 3.13Å; T332-D335 VanDerWaalsContact O-N 3.16Å; T332-D335 PolarHBondContact OG1-N 3.09Å; T332-D335 VanDerWaalsContact OG1-N 3.11Å; T332-D335 PolarHBondContact OG1-OD1 3.21Å; T332-D335 PolarHBondContact OG1-OD2 2.84Å; T332-V336 PolarHBondContact O-N 3.04Å; T332-K421 WeakPolarHBondContact CB-O 3.33Å
333	V	89.3	Confident	91.8	Very high	17 Å²	17	59.1 Å²	59.1	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-31.6	173	170.1	0	0	0	0	110.8	K337 F406 N413 K420 K421 W423	V333-K337 HydrophobicContact CG1-CD 4.21Å; V333-K337 HydrophobicContact CG1-CG 4.41Å; V333-K337 WeakPolarHBondContact O-CB 3.48Å; V333-K337 WeakPolarHBondContact O-CG 3.49Å; V333-K337 PolarHBondContact O-N 2.81Å; V333-F406 HydrophobicContact CG1-CE2 3.91Å; V333-F406 HydrophobicContact CG1-CZ 3.76Å; V333-N413 WeakPolarHBondContact CG2-ND2 3.46Å; V333-K420 WeakPolarHBondContact CG2-O 3.42Å; V333-K421 PolarHBondContact N-O 3.05Å; V333-W423 HydrophobicContact CG2-CE3 4.03Å
334	K	91.7	Very high	92	Very high	168 Å²	168	54.7 Å²	54.7	73%	0.73	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-46.2	174.3	-176.5	-172.8	175.7	-171.9	0	111.6	T332 K337 H338	T332-K334 PolarHBondContact O-N 3.2Å; T332-K334 PolarHBondContact OG1-N 3.46Å; K334-K337 PolarHBondContact O-N 3.11Å; K334-H338 VanDerWaalsContact O-CB 3.28Å; K334-H338 WeakPolarHBondContact O-CB 3.27Å; K334-H338 PolarHBondContact O-N 3.27Å
335	D	93.2	Very high	92.3	Very high	56 Å²	56	57 Å²	57	30%	0.299	28%	0.278	S	S	.	.	H	α-helix	trans	-67.2	-41.9	-178.8	-52.2	-45.3	0	0	0	111.3	L330 T332 H338 W339	L330-D335 HydrophobicContact CB-CB 4.13Å; L330-D335 HydrophobicContact CD2-CB 4.21Å; T332-D335 WeakPolarHBondContact CB-OD2 3.39Å; T332-D335 WeakPolarHBondContact CG2-OD2 3.33Å; T332-D335 PolarHBondContact N-OD2 3.32Å; T332-D335 PolarHBondContact O-N 3.13Å; T332-D335 VanDerWaalsContact O-N 3.16Å; T332-D335 PolarHBondContact OG1-N 3.09Å; T332-D335 VanDerWaalsContact OG1-N 3.11Å; T332-D335 PolarHBondContact OG1-OD1 3.21Å; T332-D335 PolarHBondContact OG1-OD2 2.84Å; D335-H338 PolarHBondContact O-N 3.02Å; D335-W339 VanDerWaalsContact O-CD1 3.25Å; D335-W339 PolarHBondContact O-N 2.93Å
336	V	93.4	Very high	92.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-47.8	176.9	175.4	0	0	0	0	110.8	L330 T332 H338 W339 L340 F406 I409 W423 V435 L438	L330-V336 HydrophobicContact CB-CG2 4.01Å; L330-V336 HydrophobicContact CD1-CG2 4.05Å; T332-V336 PolarHBondContact O-N 3.04Å; V336-H338 VanDerWaalsContact C-N 3.34Å; V336-H338 PolarHBondContact O-N 3.41Å; V336-W339 PolarHBondContact O-N 3.26Å; V336-L340 HydrophobicContact CG1-CD1 4.04Å; V336-L340 HydrophobicContact CG1-CG 4.38Å; V336-L340 WeakPolarHBondContact O-CB 3.07Å; V336-L340 WeakPolarHBondContact O-CG 3.46Å; V336-L340 PolarHBondContact O-N 3.36Å; V336-F406 HydrophobicContact CG1-CD2 4.41Å; V336-F406 HydrophobicContact CG1-CE2 4.5Å; V336-I409 HydrophobicContact CG1-CD1 3.92Å; V336-W423 HydrophobicContact CB-CE3 4.02Å; V336-W423 HydrophobicContact CB-CZ3 4.14Å; V336-W423 HydrophobicContact CG1-CE3 4.18Å; V336-W423 HydrophobicContact CG1-CH2 4.13Å; V336-W423 HydrophobicContact CG1-CZ3 3.81Å; V336-W423 HydrophobicContact CG2-CD2 3.87Å; V336-W423 HydrophobicContact CG2-CE3 3.73Å; V336-W423 HydrophobicContact CG2-CG 4.33Å; V336-W423 HydrophobicContact CG2-CZ3 4.22Å; V336-V435 HydrophobicContact CG2-CG2 4.16Å; V336-L438 HydrophobicContact CG1-CD1 4.34Å
337	K	95.2	Very high	93.6	Very high	97 Å²	97	52 Å²	52	42%	0.422	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-39.6	175.4	-72.7	-171.2	-179.1	-163.5	0	112.7	V333 K334 L340 K341 F406	V333-K337 HydrophobicContact CG1-CD 4.21Å; V333-K337 HydrophobicContact CG1-CG 4.41Å; V333-K337 WeakPolarHBondContact O-CB 3.48Å; V333-K337 WeakPolarHBondContact O-CG 3.49Å; V333-K337 PolarHBondContact O-N 2.81Å; K334-K337 PolarHBondContact O-N 3.11Å; K337-L340 PolarHBondContact O-N 3.36Å; K337-K341 PolarHBondContact O-N 3.3Å; K337-F406 HydrophobicContact CD-CD2 4.15Å; K337-F406 HydrophobicContact CD-CE2 4.08Å; K337-F406 HydrophobicContact CD-CG 4.45Å; K337-F406 HydrophobicContact CD-CZ 4.35Å; K337-F406 VanDerWaalsContact CE-CD1 3.46Å; K337-F406 HydrophobicContact CG-CD2 3.43Å; K337-F406 VanDerWaalsContact CG-CD2 3.43Å; K337-F406 HydrophobicContact CG-CE2 3.57Å; K337-F406 HydrophobicContact CG-CG 4.07Å; K337-F406 HydrophobicContact CG-CZ 4.33Å
338	H	96.5	Very high	94.2	Very high	101 Å²	101	44.7 Å²	44.7	47%	0.468	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-49.6	176.1	174.5	59.2	0	0	0	112	K334 D335 V336 K341 L342	K334-H338 VanDerWaalsContact O-CB 3.28Å; K334-H338 WeakPolarHBondContact O-CB 3.27Å; K334-H338 PolarHBondContact O-N 3.27Å; D335-H338 PolarHBondContact O-N 3.02Å; V336-H338 VanDerWaalsContact C-N 3.34Å; V336-H338 PolarHBondContact O-N 3.41Å; H338-K341 PolarHBondContact O-N 3.34Å; H338-L342 WeakPolarHBondContact O-CG 3.37Å; H338-L342 PolarHBondContact O-N 2.83Å; H338-L342 VanDerWaalsContact O-N 3.08Å
339	W	97	Very high	94.4	Very high	40 Å²	40	42.1 Å²	42.1	15%	0.152	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-32.7	178.9	-78.3	106	0	0	0	113.5	G84 K322 F324 L330 D335 V336 L342 L343 L438	G84-W339 WeakPolarHBondContact O-CH2 3.49Å; K322-W339 HydrophobicContact CG-CE3 4.18Å; K322-W339 HydrophobicContact CG-CZ3 4.05Å; F324-W339 AromaticContact CE1-CD1 3.83Å; F324-W339 AromaticContact CE1-CD2 3.55Å; F324-W339 HydrophobicContact CE1-CD2 3.55Å; F324-W339 AromaticContact CE1-CE2 3.45Å; F324-W339 VanDerWaalsContact CE1-CE2 3.45Å; F324-W339 HydrophobicContact CE1-CE3 4.1Å; F324-W339 AromaticContact CE1-CG 3.82Å; F324-W339 HydrophobicContact CE1-CG 3.82Å; F324-W339 HydrophobicContact CE1-CH2 4.42Å; F324-W339 AromaticContact CE1-CZ2 3.92Å; F324-W339 HydrophobicContact CE1-CZ2 3.92Å; F324-W339 AromaticContact CE1-NE1 3.62Å; F324-W339 HydrophobicContact CZ-CB 3.98Å; F324-W339 AromaticContact CZ-CD1 3.89Å; F324-W339 AromaticContact CZ-CD2 3.5Å; F324-W339 HydrophobicContact CZ-CD2 3.5Å; F324-W339 AromaticContact CZ-CE2 3.94Å; F324-W339 AromaticContact CZ-CE3 3.91Å; F324-W339 HydrophobicContact CZ-CE3 3.91Å; F324-W339 AromaticContact CZ-CG 3.51Å; F324-W339 HydrophobicContact CZ-CG 3.51Å; L330-W339 HydrophobicContact CD1-CB 4.17Å; L330-W339 HydrophobicContact CD1-CG 4.17Å; D335-W339 VanDerWaalsContact O-CD1 3.25Å; D335-W339 PolarHBondContact O-N 2.93Å; V336-W339 PolarHBondContact O-N 3.26Å; W339-L342 HydrophobicContact CD2-CD1 4.49Å; W339-L342 HydrophobicContact CE3-CB 4.49Å; W339-L342 HydrophobicContact CE3-CD1 4.07Å; W339-L342 HydrophobicContact CZ3-CD1 4.13Å; W339-L342 PolarHBondContact O-N 2.98Å; W339-L343 WeakPolarHBondContact O-CB 3.26Å; W339-L343 VanDerWaalsContact O-CG 3.3Å; W339-L343 WeakPolarHBondContact O-CG 3.37Å; W339-L343 PolarHBondContact O-N 2.81Å; W339-L438 HydrophobicContact CB-CD1 3.85Å
340	L	97.3	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-42.2	170.5	-74.7	176.2	0	0	0	111.8	V336 K337 L343 S344 A405 F406 I409 L438 L440	V336-L340 HydrophobicContact CG1-CD1 4.04Å; V336-L340 HydrophobicContact CG1-CG 4.38Å; V336-L340 WeakPolarHBondContact O-CB 3.07Å; V336-L340 WeakPolarHBondContact O-CG 3.46Å; V336-L340 PolarHBondContact O-N 3.36Å; K337-L340 PolarHBondContact O-N 3.36Å; L340-L343 PolarHBondContact O-N 3.26Å; L340-S344 VanDerWaalsContact O-CB 3.27Å; L340-S344 WeakPolarHBondContact O-CB 3.41Å; L340-S344 PolarHBondContact O-N 3.24Å; L340-S344 PolarHBondContact O-OG 2.88Å; L340-A405 HydrophobicContact CD2-CB 4.12Å; L340-F406 HydrophobicContact CD1-CB 3.74Å; L340-F406 HydrophobicContact CD1-CD2 3.99Å; L340-F406 HydrophobicContact CD1-CG 4.39Å; L340-I409 HydrophobicContact CD1-CD1 4.1Å; L340-L438 HydrophobicContact CD2-CD1 4.4Å; L340-L438 HydrophobicContact CG-CD1 4.32Å; L340-L440 HydrophobicContact CD2-CD2 4.05Å
341	K	97.8	Very high	94.8	Very high	76 Å²	76	43.2 Å²	43.2	33%	0.33	20%	0.196	S	C	.	.	H	α-helix	trans	-60.4	-51	174	178	159.1	-177.3	163.6	0	111.5	K337 H338 L343 S344 E345 E399 A402	K337-K341 PolarHBondContact O-N 3.3Å; H338-K341 PolarHBondContact O-N 3.34Å; K341-L343 VanDerWaalsContact C-N 3.32Å; K341-L343 PolarHBondContact O-N 2.98Å; K341-S344 WeakPolarHBondContact O-CA 3.18Å; K341-S344 WeakPolarHBondContact O-CB 3.47Å; K341-S344 PolarHBondContact O-N 3.15Å; K341-E345 WeakPolarHBondContact CE-OE1 3.35Å; K341-E345 HydrophobicContact CG-CG 4.38Å; K341-E345 WeakPolarHBondContact CG-OE1 3.47Å; K341-E345 WeakPolarHBondContact O-CG 3.27Å; K341-E345 PolarHBondContact O-N 2.92Å; K341-E399 IonicContact NZ-OE1 2.74Å; K341-E399 PolarHBondContact NZ-OE1 2.87Å; K341-A402 HydrophobicContact CB-CB 4.39Å
342	L	97.5	Very high	95.1	Very high	26 Å²	26	41.5 Å²	41.5	14%	0.136	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-35.9	179.2	-67.9	179.6	0	0	0	113.6	R83 H338 W339 E346	R83-L342 HydrophobicContact CB-CB 4.26Å; R83-L342 HydrophobicContact CB-CD2 4.12Å; R83-L342 WeakPolarHBondContact CD-O 3.19Å; R83-L342 HydrophobicContact CG-CD2 4.49Å; H338-L342 WeakPolarHBondContact O-CG 3.37Å; H338-L342 PolarHBondContact O-N 2.83Å; H338-L342 VanDerWaalsContact O-N 3.08Å; W339-L342 HydrophobicContact CD2-CD1 4.49Å; W339-L342 HydrophobicContact CE3-CB 4.49Å; W339-L342 HydrophobicContact CE3-CD1 4.07Å; W339-L342 HydrophobicContact CZ3-CD1 4.13Å; W339-L342 PolarHBondContact O-N 2.98Å; L342-E346 PolarHBondContact O-N 3.19Å
343	L	98	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.6	-38.2	172.9	-72.9	171.5	0	0	0	111.8	K85 C320 K322 W339 L340 K341 E346 L347 L438 L440	K85-L343 HydrophobicContact CD-CD2 3.84Å; C320-L343 HydrophobicContact CB-CD2 4.04Å; C320-L343 PolarHBondContact SG-O 2.88Å; K322-L343 HydrophobicContact CB-CD2 4.42Å; W339-L343 WeakPolarHBondContact O-CB 3.26Å; W339-L343 VanDerWaalsContact O-CG 3.3Å; W339-L343 WeakPolarHBondContact O-CG 3.37Å; W339-L343 PolarHBondContact O-N 2.81Å; L340-L343 PolarHBondContact O-N 3.26Å; K341-L343 VanDerWaalsContact C-N 3.32Å; K341-L343 PolarHBondContact O-N 2.98Å; L343-E346 PolarHBondContact O-N 2.88Å; L343-L347 WeakPolarHBondContact O-CB 3.32Å; L343-L347 PolarHBondContact O-N 2.76Å; L343-L438 HydrophobicContact CD1-CB 3.76Å; L343-L440 HydrophobicContact CB-CD1 3.73Å; L343-L440 HydrophobicContact CB-CG 4.19Å
344	S	98.2	Very high	95.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-35.6	179.3	-58	0	0	0	0	112.4	L340 K341 L347 E348 S398 I401 A402 L440	L340-S344 VanDerWaalsContact O-CB 3.27Å; L340-S344 WeakPolarHBondContact O-CB 3.41Å; L340-S344 PolarHBondContact O-N 3.24Å; L340-S344 PolarHBondContact O-OG 2.88Å; K341-S344 WeakPolarHBondContact O-CA 3.18Å; K341-S344 WeakPolarHBondContact O-CB 3.47Å; K341-S344 PolarHBondContact O-N 3.15Å; S344-L347 PolarHBondContact O-N 2.71Å; S344-E348 WeakPolarHBondContact O-CB 3.47Å; S344-E348 PolarHBondContact O-N 3.29Å; S344-S398 VanDerWaalsContact CB-O 3.25Å; S344-S398 WeakPolarHBondContact CB-O 3.32Å; S344-I401 WeakPolarHBondContact OG-CG2 3.28Å; S344-A402 WeakPolarHBondContact OG-CA 3.43Å; S344-A402 PolarHBondContact OG-N 2.82Å; S344-L440 WeakPolarHBondContact OG-CD1 3.42Å
345	E	97.9	Very high	95	Very high	52 Å²	52	36.4 Å²	36.4	24%	0.243	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-39.2	172.9	-69.2	167.8	-168.8	0	0	112.5	R83 K341 E349	R83-E345 VanDerWaalsContact NE-CB 3.33Å; R83-E345 IonicContact NE-OE2 2.77Å; R83-E345 PolarHBondContact NH2-O 3.4Å; K341-E345 WeakPolarHBondContact CE-OE1 3.35Å; K341-E345 HydrophobicContact CG-CG 4.38Å; K341-E345 WeakPolarHBondContact CG-OE1 3.47Å; K341-E345 WeakPolarHBondContact O-CG 3.27Å; K341-E345 PolarHBondContact O-N 2.92Å; E345-E349 WeakPolarHBondContact O-CB 3.4Å; E345-E349 PolarHBondContact O-N 3.16Å; E345-E349 VanDerWaalsContact O-N 3.16Å
346	E	97.1	Very high	94.3	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-36.9	172.7	-163.9	-155.3	144.6	0	0	111.3	K85 R92 C320 L342 L343 R350	K85-E346 WeakPolarHBondContact CD-OE2 3.3Å; K85-E346 WeakPolarHBondContact CE-OE2 3.06Å; K85-E346 IonicContact NZ-OE1 2.71Å; K85-E346 IonicContact NZ-OE2 2.66Å; K85-E346 PolarHBondContact NZ-OE2 2.86Å; R92-E346 IonicContact CZ-OE1 2.72Å; R92-E346 IonicContact NH1-OE1 2.73Å; R92-E346 IonicContact NH2-OE1 3.87Å; R92-E346 PolarHBondContact NH2-OE1 2.82Å; C320-E346 HydrophobicContact CB-CB 4.45Å; C320-E346 WeakPolarHBondContact CB-OE2 3.47Å; L342-E346 PolarHBondContact O-N 3.19Å; L343-E346 PolarHBondContact O-N 2.88Å; E346-R350 WeakPolarHBondContact O-CB 3.2Å; E346-R350 WeakPolarHBondContact O-CD 3.47Å; E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.46Å; E346-R350 PolarHBondContact O-N 2.65Å; E346-R350 VanDerWaalsContact O-N 3.17Å; E346-R350 WeakPolarHBondContact OE1-CD 3.45Å; E346-R350 IonicContact OE1-CZ 2.7Å; E346-R350 IonicContact OE1-NE 3.74Å; E346-R350 IonicContact OE1-NH1 2.75Å; E346-R350 PolarHBondContact OE1-NH1 2.75Å
347	L	97.2	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-45.6	-179.8	-175.4	54.4	0	0	0	111.4	I318 L343 S344 R350 L351 L371 I401 L440 A442	I318-L347 HydrophobicContact CG2-CD1 3.96Å; I318-L347 VanDerWaalsContact O-CD1 3.27Å; I318-L347 WeakPolarHBondContact O-CD1 3.2Å; L343-L347 WeakPolarHBondContact O-CB 3.32Å; L343-L347 PolarHBondContact O-N 2.76Å; S344-L347 PolarHBondContact O-N 2.71Å; L347-R350 PolarHBondContact O-N 2.83Å; L347-L351 HydrophobicContact CD1-CD1 3.79Å; L347-L351 HydrophobicContact CD1-CG 4.03Å; L347-L351 HydrophobicContact CG-CD1 3.74Å; L347-L351 HydrophobicContact CG-CG 4.42Å; L347-L351 VanDerWaalsContact O-CB 3.3Å; L347-L351 WeakPolarHBondContact O-CB 3.38Å; L347-L351 WeakPolarHBondContact O-CD1 3.42Å; L347-L351 WeakPolarHBondContact O-CG 3.41Å; L347-L351 PolarHBondContact O-N 2.84Å; L347-L371 HydrophobicContact CD2-CD1 3.86Å; L347-I401 HydrophobicContact CD2-CG2 4.2Å; L347-L440 HydrophobicContact CD2-CB 3.78Å; L347-L440 HydrophobicContact CD2-CD1 4.44Å; L347-A442 HydrophobicContact CD1-CB 4.09Å
348	E	96.6	Very high	90.9	Very high	60 Å²	60	40.3 Å²	40.3	28%	0.28	20%	0.203	S	C	.	.	H	α-helix	trans	-55.2	-55.5	172.4	-176.1	-166.9	142.4	0	0	110.9	S344 R350 L351 T352 S398	S344-E348 WeakPolarHBondContact O-CB 3.47Å; S344-E348 PolarHBondContact O-N 3.29Å; E348-R350 PolarHBondContact O-N 3Å; E348-L351 PolarHBondContact O-N 2.9Å; E348-L351 VanDerWaalsContact O-N 3.08Å; E348-T352 PolarHBondContact O-N 2.94Å; E348-T352 PolarHBondContact O-OG1 2.95Å; E348-S398 WeakPolarHBondContact OE2-CA 2.98Å; E348-S398 WeakPolarHBondContact OE2-CB 3.3Å; E348-S398 PolarHBondContact OE2-N 2.88Å; E348-S398 PolarHBondContact OE2-OG 3.03Å
349	E	94.2	Very high	88.5	Confident	48 Å²	48	46 Å²	46	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-55.1	-41.3	-177.9	-170.4	-162.2	141.4	0	0	112.1	R83 E345 K353	R83-E349 IonicContact CZ-OE2 2.99Å; R83-E349 VanDerWaalsContact CZ-OE2 3.25Å; R83-E349 IonicContact NH1-OE2 3.45Å; R83-E349 PolarHBondContact NH1-OE2 3.29Å; R83-E349 IonicContact NH2-OE2 2.66Å; R83-E349 PolarHBondContact NH2-OE2 2.81Å; E345-E349 WeakPolarHBondContact O-CB 3.4Å; E345-E349 PolarHBondContact O-N 3.16Å; E345-E349 VanDerWaalsContact O-N 3.16Å; E349-K353 HydrophobicContact CG-CD 4.41Å; E349-K353 WeakPolarHBondContact O-CB 3.24Å; E349-K353 WeakPolarHBondContact O-CD 3.41Å; E349-K353 VanDerWaalsContact O-CG 3.24Å; E349-K353 WeakPolarHBondContact O-CG 3.39Å; E349-K353 PolarHBondContact O-N 2.95Å; E349-K353 IonicContact OE1-NZ 3.08Å; E349-K353 PolarHBondContact OE1-NZ 3.45Å
350	R	94.1	Very high	86.3	Confident	39 Å²	39	54 Å²	54	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-77.4	-28.3	-179.2	-71.9	167.8	56.2	-159.6	-11.4	113.4	R92 I318 G319 E346 L347 E348 D354	R92-R350 VanDerWaalsContact NH2-NH1 3.14Å; I318-R350 HydrophobicContact CG2-CB 3.94Å; G319-R350 VanDerWaalsContact O-CZ 3.29Å; G319-R350 PolarHBondContact O-NH1 2.78Å; G319-R350 PolarHBondContact O-NH2 3.32Å; E346-R350 WeakPolarHBondContact O-CB 3.2Å; E346-R350 WeakPolarHBondContact O-CD 3.47Å; E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.46Å; E346-R350 PolarHBondContact O-N 2.65Å; E346-R350 VanDerWaalsContact O-N 3.17Å; E346-R350 WeakPolarHBondContact OE1-CD 3.45Å; E346-R350 IonicContact OE1-CZ 2.7Å; E346-R350 IonicContact OE1-NE 3.74Å; E346-R350 IonicContact OE1-NH1 2.75Å; E346-R350 PolarHBondContact OE1-NH1 2.75Å; L347-R350 PolarHBondContact O-N 2.83Å; E348-R350 PolarHBondContact O-N 3Å; R350-D354 WeakPolarHBondContact O-CB 3.32Å; R350-D354 PolarHBondContact O-N 2.95Å
351	L	94.4	Very high	84.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-78.4	-41.9	176.6	-77.9	170.1	0	0	0	111.9	I318 L347 E348 K353 D354 Q355 A368 L393 Y396 A442 F445	I318-L351 HydrophobicContact CB-CD2 4.31Å; I318-L351 HydrophobicContact CD1-CD2 4.28Å; I318-L351 HydrophobicContact CG2-CD2 4.45Å; L347-L351 HydrophobicContact CD1-CD1 3.79Å; L347-L351 HydrophobicContact CD1-CG 4.03Å; L347-L351 HydrophobicContact CG-CD1 3.74Å; L347-L351 HydrophobicContact CG-CG 4.42Å; L347-L351 VanDerWaalsContact O-CB 3.3Å; L347-L351 WeakPolarHBondContact O-CB 3.38Å; L347-L351 WeakPolarHBondContact O-CD1 3.42Å; L347-L351 WeakPolarHBondContact O-CG 3.41Å; L347-L351 PolarHBondContact O-N 2.84Å; E348-L351 PolarHBondContact O-N 2.9Å; E348-L351 VanDerWaalsContact O-N 3.08Å; L351-K353 VanDerWaalsContact C-N 3.3Å; L351-K353 PolarHBondContact O-N 2.99Å; L351-D354 WeakPolarHBondContact O-CB 3.34Å; L351-D354 PolarHBondContact O-N 3.01Å; L351-Q355 PolarHBondContact O-N 3.32Å; L351-A368 HydrophobicContact CD2-CB 4.14Å; L351-L393 HydrophobicContact CD1-CD2 3.87Å; L351-Y396 HydrophobicContact CB-CD1 4.16Å; L351-Y396 HydrophobicContact CB-CD2 3.8Å; L351-Y396 HydrophobicContact CB-CE1 4.01Å; L351-Y396 HydrophobicContact CB-CE2 3.62Å; L351-Y396 HydrophobicContact CB-CG 4.06Å; L351-Y396 HydrophobicContact CD1-CD1 3.99Å; L351-Y396 HydrophobicContact CD1-CE1 3.87Å; L351-Y396 HydrophobicContact CD2-CE1 4.16Å; L351-Y396 HydrophobicContact CG-CE1 4.26Å; L351-Y396 WeakPolarHBondContact O-CE2 3.33Å; L351-A442 HydrophobicContact CD1-CB 3.82Å; L351-A442 HydrophobicContact CD2-CB 3.76Å; L351-A442 HydrophobicContact CG-CB 4.3Å; L351-F445 HydrophobicContact CD2-CE1 4.05Å; L351-F445 HydrophobicContact CD2-CZ 4.03Å
352	T	92.7	Very high	82	Confident	43 Å²	43	56.8 Å²	56.8	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-38.9	174.1	-58	0	0	0	0	111	E348 D354 Q355 Q356	E348-T352 PolarHBondContact O-N 2.94Å; E348-T352 PolarHBondContact O-OG1 2.95Å; T352-D354 VanDerWaalsContact C-N 3.3Å; T352-D354 PolarHBondContact O-N 3.19Å; T352-Q355 PolarHBondContact O-N 2.93Å; T352-Q356 WeakPolarHBondContact O-CB 3.48Å; T352-Q356 PolarHBondContact O-N 3.27Å
353	K	88.7	Confident	80.7	Confident	77 Å²	77	56.7 Å²	56.7	34%	0.335	28%	0.282	S	S	.	.	H	α-helix	trans	-67.7	-21.7	171.9	-74.9	171.3	178	177	0	114.8	E349 L351 V358	E349-K353 HydrophobicContact CG-CD 4.41Å; E349-K353 WeakPolarHBondContact O-CB 3.24Å; E349-K353 WeakPolarHBondContact O-CD 3.41Å; E349-K353 VanDerWaalsContact O-CG 3.24Å; E349-K353 WeakPolarHBondContact O-CG 3.39Å; E349-K353 PolarHBondContact O-N 2.95Å; E349-K353 IonicContact OE1-NZ 3.08Å; E349-K353 PolarHBondContact OE1-NZ 3.45Å; L351-K353 VanDerWaalsContact C-N 3.3Å; L351-K353 PolarHBondContact O-N 2.99Å; K353-V358 HydrophobicContact CG-CG2 4.04Å
354	D	90.2	Very high	80	Confident	12 Å²	12	58.6 Å²	58.6	6%	0.064	29%	0.292	C	S	.	.	H	α-helix	trans	-86.9	-33.8	177.9	-171.9	83.5	0	0	0	111.2	I318 R350 L351 T352 N364 F365 R366 F445	I318-D354 HydrophobicContact CD1-CB 3.71Å; R350-D354 WeakPolarHBondContact O-CB 3.32Å; R350-D354 PolarHBondContact O-N 2.95Å; L351-D354 WeakPolarHBondContact O-CB 3.34Å; L351-D354 PolarHBondContact O-N 3.01Å; T352-D354 VanDerWaalsContact C-N 3.3Å; T352-D354 PolarHBondContact O-N 3.19Å; D354-N364 CarbonylContact O-C 3.57Å; D354-N364 WeakPolarHBondContact O-CA 3.43Å; D354-N364 WeakPolarHBondContact O-CB 3.37Å; D354-N364 PolarHBondContact O-N 3.45Å; D354-N364 PolarHBondContact OD1-ND2 3.4Å; D354-F365 PolarHBondContact O-N 2.97Å; D354-R366 IonicContact OD1-CZ 3.15Å; D354-R366 IonicContact OD1-NE 2.68Å; D354-R366 PolarHBondContact OD1-NE 3.32Å; D354-R366 IonicContact OD1-NH2 3.37Å; D354-R366 PolarHBondContact OD1-NH2 2.89Å; D354-R366 VanDerWaalsContact OD2-CG 3.26Å; D354-R366 WeakPolarHBondContact OD2-CG 3.36Å; D354-R366 IonicContact OD2-CZ 2.67Å; D354-R366 IonicContact OD2-NE 3.18Å; D354-R366 PolarHBondContact OD2-NE 3.4Å; D354-R366 IonicContact OD2-NH2 2.7Å; D354-R366 PolarHBondContact OD2-NH2 3.33Å; D354-F445 VanDerWaalsContact OD2-CE1 3.24Å; D354-F445 WeakPolarHBondContact OD2-CE1 3.46Å
355	Q	89	Confident	79.5	Confident	33 Å²	33	64 Å²	64	15%	0.154	32%	0.316	C	S	.	.	H	α-helix	trans	-84.2	-39.1	178.2	-177.8	-167.1	67	0	0	113.9	L351 T352 T363 R366 T367 Y396	L351-Q355 PolarHBondContact O-N 3.32Å; T352-Q355 PolarHBondContact O-N 2.93Å; Q355-T363 VanDerWaalsContact C-CG2 3.44Å; Q355-T363 WeakPolarHBondContact O-CG2 3.48Å; Q355-R366 WeakPolarHBondContact CB-O 3.48Å; Q355-T367 PolarHBondContact NE2-OG1 2.71Å; Q355-Y396 HydrophobicContact CB-CE2 3.8Å; Q355-Y396 HydrophobicContact CG-CE2 4.35Å
356	Q	76.7	Confident	79.2	Confident	94 Å²	94	62.4 Å²	62.4	44%	0.439	31%	0.308	S	S	.	.	S	Bend	trans	-122.6	147.2	-167.2	-58.1	-176.4	12.6	0	0	113.8	T352 V358	T352-Q356 WeakPolarHBondContact O-CB 3.48Å; T352-Q356 PolarHBondContact O-N 3.27Å; Q356-V358 PolarHBondContact O-N 3.01Å
357	A	61.4	Low	79	Confident	72 Å²	72	63.1 Å²	63.1	60%	0.595	31%	0.313	S	S	*	.			trans	-73.8	81.1	-178.8	0	0	0	0	0	112.9	R359 T363	A357-R359 PolarHBondContact O-N 3.37Å; A357-T363 WeakPolarHBondContact CA-OG1 3.47Å; A357-T363 WeakPolarHBondContact CB-OG1 3.47Å
358	V	56.7	Low	78.9	Confident	69 Å²	69	63.1 Å²	63.1	42%	0.418	31%	0.313	S	S	.	.			trans	-70	121.9	163	-174	0	0	0	0	108	K353 Q356 F360 V361	K353-V358 HydrophobicContact CG-CG2 4.04Å; Q356-V358 PolarHBondContact O-N 3.01Å; V358-F360 PolarHBondContact O-N 3.15Å; V358-V361 PolarHBondContact O-N 3.36Å
359	R	45.1	Very low	78.9	Confident	219 Å²	219	64 Å²	64	83%	0.826	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.1	128.4	-168.9	-73.3	-175.3	172.3	-169.4	-2.9	113.7	A357 V361	A357-R359 PolarHBondContact O-N 3.37Å; R359-V361 VanDerWaalsContact C-N 3.29Å; R359-V361 PolarHBondContact O-N 3.34Å
360	F	51.8	Low	79.1	Confident	208 Å²	208	62.1 Å²	62.1	91%	0.912	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	6.3	179.3	-45.9	-72.8	0	0	0	116.9	V358	V358-F360 PolarHBondContact O-N 3.15Å
361	V	50.4	Low	79.3	Confident	69 Å²	69	60.3 Å²	60.3	42%	0.418	30%	0.301	S	S	.	.	S	Bend	trans	-103.9	122.9	171.3	-174.6	0	0	0	0	110.3	V358 R359 T363	V358-V361 PolarHBondContact O-N 3.36Å; R359-V361 VanDerWaalsContact C-N 3.29Å; R359-V361 PolarHBondContact O-N 3.34Å; V361-T363 PolarHBondContact O-N 3.08Å; V361-T363 PolarHBondContact O-OG1 3.41Å
362	P	54.9	Low	79.4	Confident	66 Å²	66	60.6 Å²	60.6	43%	0.429	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-55.8	128.4	172.9	-25.9	35.1	0	0	0	111.7
363	T	68.8	Low	79.6	Confident	25 Å²	25	58.6 Å²	58.6	15%	0.153	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-100.1	147.1	-173.5	-39.2	0	0	0	0	111.1	Q355 A357 V361 F365	Q355-T363 VanDerWaalsContact C-CG2 3.44Å; Q355-T363 WeakPolarHBondContact O-CG2 3.48Å; A357-T363 WeakPolarHBondContact CA-OG1 3.47Å; A357-T363 WeakPolarHBondContact CB-OG1 3.47Å; V361-T363 PolarHBondContact O-N 3.08Å; V361-T363 PolarHBondContact O-OG1 3.41Å; T363-F365 HydrophobicContact CG2-CD1 3.96Å; T363-F365 HydrophobicContact CG2-CD2 4.39Å; T363-F365 HydrophobicContact CG2-CE1 3.93Å; T363-F365 HydrophobicContact CG2-CE2 4.37Å; T363-F365 HydrophobicContact CG2-CG 4.21Å; T363-F365 HydrophobicContact CG2-CZ 4.15Å
364	N	84.2	Confident	79.9	Confident	40 Å²	40	55 Å²	55	21%	0.214	28%	0.277	C	S	.	.			trans	-100.1	-2.9	179.8	-59.1	-38.2	0	0	0	113.2	L314 D354 R366	L314-N364 HydrophobicContact CD1-CB 3.7Å; L314-N364 WeakPolarHBondContact CD2-OD1 3.25Å; D354-N364 CarbonylContact O-C 3.57Å; D354-N364 WeakPolarHBondContact O-CA 3.43Å; D354-N364 WeakPolarHBondContact O-CB 3.37Å; D354-N364 PolarHBondContact O-N 3.45Å; D354-N364 PolarHBondContact OD1-ND2 3.4Å; N364-R366 HydrophobicContact CB-CG 3.88Å; N364-R366 WeakPolarHBondContact O-CB 3.33Å; N364-R366 WeakPolarHBondContact O-CG 3.2Å; N364-R366 PolarHBondContact O-N 2.97Å
365	F	86.9	Confident	80.1	Confident	113 Å²	113	54.6 Å²	54.6	50%	0.496	27%	0.274	S	S	.	.			trans	47.6	32.7	173.9	-63.1	-70.5	0	0	0	115.2	D354 T363 T448	D354-F365 PolarHBondContact O-N 2.97Å; T363-F365 HydrophobicContact CG2-CD1 3.96Å; T363-F365 HydrophobicContact CG2-CD2 4.39Å; T363-F365 HydrophobicContact CG2-CE1 3.93Å; T363-F365 HydrophobicContact CG2-CE2 4.37Å; T363-F365 HydrophobicContact CG2-CG 4.21Å; T363-F365 HydrophobicContact CG2-CZ 4.15Å; F365-T448 VanDerWaalsContact C-OG1 3.31Å; F365-T448 WeakPolarHBondContact O-CA 3.33Å; F365-T448 WeakPolarHBondContact O-CB 3.44Å; F365-T448 PolarHBondContact O-N 3.01Å; F365-T448 PolarHBondContact O-OG1 3.34Å
366	R	91.6	Very high	80.2	Confident	18 Å²	18	57.9 Å²	57.9	7%	0.068	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.7	-171	61.2	-179.9	-170.5	153.9	6.1	112.4	A315 D354 Q355 N364 F445 E446 T448	A315-R366 PolarHBondContact O-NH1 3.03Å; A315-R366 PolarHBondContact O-NH2 3.22Å; D354-R366 IonicContact OD1-CZ 3.15Å; D354-R366 IonicContact OD1-NE 2.68Å; D354-R366 PolarHBondContact OD1-NE 3.32Å; D354-R366 IonicContact OD1-NH2 3.37Å; D354-R366 PolarHBondContact OD1-NH2 2.89Å; D354-R366 VanDerWaalsContact OD2-CG 3.26Å; D354-R366 WeakPolarHBondContact OD2-CG 3.36Å; D354-R366 IonicContact OD2-CZ 2.67Å; D354-R366 IonicContact OD2-NE 3.18Å; D354-R366 PolarHBondContact OD2-NE 3.4Å; D354-R366 IonicContact OD2-NH2 2.7Å; D354-R366 PolarHBondContact OD2-NH2 3.33Å; Q355-R366 WeakPolarHBondContact CB-O 3.48Å; N364-R366 HydrophobicContact CB-CG 3.88Å; N364-R366 WeakPolarHBondContact O-CB 3.33Å; N364-R366 WeakPolarHBondContact O-CG 3.2Å; N364-R366 PolarHBondContact O-N 2.97Å; R366-F445 HydrophobicContact CB-CB 4.4Å; R366-F445 HydrophobicContact CB-CD1 4.22Å; R366-F445 HydrophobicContact CG-CB 4.41Å; R366-F445 HydrophobicContact CG-CD1 3.65Å; R366-F445 HydrophobicContact CG-CE1 4.3Å; R366-F445 HydrophobicContact CG-CG 4.34Å; R366-E446 CarbonylContact C-O 3.49Å; R366-E446 WeakPolarHBondContact CA-O 3.36Å; R366-T448 WeakPolarHBondContact CA-OG1 3.34Å; R366-T448 PolarHBondContact N-OG1 2.78Å
367	T	93.2	Very high	80.8	Confident	21 Å²	21	53.9 Å²	53.9	13%	0.129	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.5	-173.8	-60.2	0	0	0	0	110.5	Q355 K369 Y396 E446 T448	Q355-T367 PolarHBondContact NE2-OG1 2.71Å; T367-K369 HydrophobicContact CG2-CD 4.29Å; T367-Y396 WeakPolarHBondContact CA-OH 3.29Å; T367-Y396 HydrophobicContact CG2-CE1 4.48Å; T367-E446 PolarHBondContact N-O 2.84Å; T367-E446 PolarHBondContact O-N 3.03Å; T367-T448 PolarHBondContact N-OG1 3.45Å; T367-T448 PolarHBondContact OG1-OG1 3.17Å
368	A	95.9	Very high	81.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.8	175.1	0	0	0	0	0	111.4	L351 L393 Y396 A442 F445	L351-A368 HydrophobicContact CD2-CB 4.14Å; A368-L393 HydrophobicContact CB-CD2 4Å; A368-Y396 PolarHBondContact N-OH 3.44Å; A368-A442 HydrophobicContact CB-CB 3.84Å; A368-F445 HydrophobicContact CB-CD1 3.85Å; A368-F445 HydrophobicContact CB-CD2 4.45Å; A368-F445 HydrophobicContact CB-CE1 3.66Å; A368-F445 HydrophobicContact CB-CE2 4.25Å; A368-F445 HydrophobicContact CB-CG 4.25Å; A368-F445 HydrophobicContact CB-CZ 3.86Å
369	K	96.2	Very high	82.7	Confident	77 Å²	77	50.8 Å²	50.8	34%	0.335	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-10.1	-179	-53.8	-51.8	-167	-178.7	0	114.9	T367 Q392 L393 S443 R444 E446	T367-K369 HydrophobicContact CG2-CD 4.29Å; K369-Q392 CarbonylContact O-C 3.59Å; K369-Q392 WeakPolarHBondContact O-CA 3.46Å; K369-L393 PolarHBondContact O-N 3.46Å; K369-S443 PolarHBondContact N-O 2.97Å; K369-R444 PolarHBondContact N-O 3.43Å; K369-E446 WeakPolarHBondContact CE-OE2 3.48Å; K369-E446 HydrophobicContact CG-CG 4.24Å; K369-E446 VanDerWaalsContact CG-OE1 3.29Å; K369-E446 WeakPolarHBondContact CG-OE1 3.25Å; K369-E446 IonicContact NZ-OE2 3.07Å
370	S	97.5	Very high	83.9	Confident	10 Å²	10	45.5 Å²	45.5	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.9	179.8	-175.6	0	0	0	0	112.3	T391 A442 S443	S370-T391 WeakPolarHBondContact CA-O 3.34Å; S370-T391 PolarHBondContact OG-O 2.89Å; S370-A442 CarbonylContact O-C 3.58Å; S370-A442 WeakPolarHBondContact O-CA 3.14Å; S370-S443 PolarHBondContact N-O 3.32Å; S370-S443 PolarHBondContact O-N 2.82Å
371	L	98.1	Very high	84.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139	170	175.5	64.1	0	0	0	108.6	L347 H390 T391 L393 I401 D404	L347-L371 HydrophobicContact CD2-CD1 3.86Å; L371-H390 CarbonylContact O-C 3.49Å; L371-H390 WeakPolarHBondContact O-CA 3.08Å; L371-T391 HydrophobicContact CB-CG2 4.08Å; L371-T391 HydrophobicContact CD2-CG2 4.29Å; L371-T391 HydrophobicContact CG-CG2 4.45Å; L371-T391 PolarHBondContact N-O 3.11Å; L371-T391 PolarHBondContact O-N 2.94Å; L371-T391 VanDerWaalsContact O-O 3.08Å; L371-L393 HydrophobicContact CB-CB 4.01Å; L371-L393 HydrophobicContact CB-CD1 4.26Å; L371-I401 HydrophobicContact CD1-CG2 4.06Å; L371-I401 HydrophobicContact CD2-CB 4.49Å; L371-I401 HydrophobicContact CD2-CG2 3.91Å; L371-D404 HydrophobicContact CD2-CB 4.37Å
372	A	97.2	Very high	85.6	Confident	6 Å²	6	36 Å²	36	5%	0.05	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.7	170.6	0	0	0	0	0	111.8	R389 H390 L440 W441	A372-R389 CarbonylContact C-O 3.57Å; A372-R389 WeakPolarHBondContact CA-O 3.39Å; A372-R389 WeakPolarHBondContact CB-O 3.32Å; A372-H390 HydrophobicContact CB-CB 4Å; A372-L440 WeakPolarHBondContact O-CA 3.39Å; A372-W441 HydrophobicContact CB-CD2 4.11Å; A372-W441 VanDerWaalsContact CB-CE2 3.47Å; A372-W441 HydrophobicContact CB-CG 4.41Å; A372-W441 HydrophobicContact CB-CH2 4.5Å; A372-W441 HydrophobicContact CB-CZ2 3.69Å; A372-W441 PolarHBondContact N-O 2.83Å; A372-W441 PolarHBondContact O-N 2.77Å
373	V	96.8	Very high	86.6	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.9	-175.6	-168.8	0	0	0	0	108.5	V375 S388 R389 A405 L408 I409 A439 L440	V373-V375 HydrophobicContact CG1-CG2 4.26Å; V373-S388 CarbonylContact O-C 3.55Å; V373-S388 WeakPolarHBondContact O-CA 3.4Å; V373-S388 WeakPolarHBondContact O-CB 3.5Å; V373-R389 PolarHBondContact N-O 2.6Å; V373-R389 PolarHBondContact O-N 3.33Å; V373-A405 HydrophobicContact CG2-CB 3.58Å; V373-L408 HydrophobicContact CG2-CB 4.32Å; V373-L408 HydrophobicContact CG2-CD1 3.85Å; V373-I409 HydrophobicContact CB-CG2 4.13Å; V373-I409 HydrophobicContact CG1-CG2 3.67Å; V373-A439 CarbonylContact C-O 3.55Å; V373-A439 WeakPolarHBondContact CA-O 3.39Å; V373-L440 HydrophobicContact CB-CD2 4.29Å; V373-L440 HydrophobicContact CG1-CD2 4Å; V373-L440 HydrophobicContact CG2-CD2 3.88Å
374	G	95.5	Very high	86.9	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.8	172.5	0	0	0	0	0	110.3	C387 L438 A439	G374-C387 WeakPolarHBondContact CA-O 3.37Å; G374-L438 WeakPolarHBondContact O-CA 3.34Å; G374-A439 PolarHBondContact N-O 3.26Å; G374-A439 PolarHBondContact O-N 3.27Å
375	V	93.8	Very high	86.6	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.2	178.4	-174.3	0	0	0	0	108.9	V373 T377 S386 C387 I409 L412 V435 M437 L438	V373-V375 HydrophobicContact CG1-CG2 4.26Å; V375-T377 HydrophobicContact CG1-CG2 4.33Å; V375-S386 WeakPolarHBondContact O-CA 3.4Å; V375-C387 PolarHBondContact N-O 2.83Å; V375-C387 PolarHBondContact O-N 3.03Å; V375-I409 HydrophobicContact CG2-CB 4.02Å; V375-I409 HydrophobicContact CG2-CD1 3.81Å; V375-I409 HydrophobicContact CG2-CG2 3.55Å; V375-L412 HydrophobicContact CB-CD1 4.22Å; V375-L412 HydrophobicContact CG1-CD1 4.47Å; V375-L412 HydrophobicContact CG2-CD1 4.25Å; V375-V435 HydrophobicContact CG1-CG1 4.07Å; V375-V435 HydrophobicContact CG1-CG2 4.4Å; V375-M437 WeakPolarHBondContact CA-O 3.39Å; V375-L438 HydrophobicContact CG1-CD2 4.47Å; V375-L438 HydrophobicContact CG2-CD2 4.09Å
376	R	91.9	Very high	86.6	Confident	102 Å²	102	36.3 Å²	36.3	39%	0.385	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140	163.9	-165.1	-178.6	-59.9	166.3	4.8	109.9	V385 V435 T436 M437	R376-V385 CarbonylContact C-O 3.54Å; R376-V385 VanDerWaalsContact CA-O 3.29Å; R376-V385 WeakPolarHBondContact CA-O 3.34Å; R376-V435 CarbonylContact O-C 3.58Å; R376-V435 WeakPolarHBondContact O-CA 3.45Å; R376-T436 WeakPolarHBondContact CG-OG1 3.27Å; R376-T436 PolarHBondContact O-N 3.08Å; R376-T436 PolarHBondContact O-OG1 3.49Å; R376-M437 HydrophobicContact CB-CB 3.73Å; R376-M437 HydrophobicContact CB-CE 4.15Å; R376-M437 PolarHBondContact N-O 2.99Å; R376-M437 PolarHBondContact O-N 2.9Å
377	T	88	Confident	86.4	Confident	10 Å²	10	36.9 Å²	36.9	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.6	173.7	57.4	0	0	0	0	111.9	V375 S384 V385 P433 S434 V435	V375-T377 HydrophobicContact CG1-CG2 4.33Å; T377-S384 WeakPolarHBondContact CB-OG 3.25Å; T377-S384 PolarHBondContact O-N 2.85Å; T377-S384 PolarHBondContact O-OG 2.65Å; T377-S384 PolarHBondContact OG1-OG 3.24Å; T377-V385 PolarHBondContact N-O 3.14Å; T377-V385 WeakPolarHBondContact OG1-CB 3.34Å; T377-V385 PolarHBondContact OG1-N 2.73Å; T377-V385 VanDerWaalsContact OG1-N 3.17Å; T377-P433 HydrophobicContact CG2-CB 4.09Å; T377-S434 CarbonylContact C-O 3.58Å; T377-S434 VanDerWaalsContact CA-O 3.24Å; T377-S434 WeakPolarHBondContact CA-O 3.22Å; T377-V435 HydrophobicContact CG2-CG2 4.31Å
378	E	81.4	Confident	86.4	Confident	22 Å²	22	39.2 Å²	39.2	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.1	166.4	72.8	-169.5	-176.5	0	0	111	G326 R331 I382 P433 S434 T436	G326-E378 WeakPolarHBondContact CA-OE1 3.01Å; R331-E378 IonicContact NH2-OE1 2.6Å; E378-I382 CarbonylContact C-O 3.6Å; E378-I382 VanDerWaalsContact CA-O 3.22Å; E378-I382 WeakPolarHBondContact CA-O 3.45Å; E378-P433 VanDerWaalsContact O-CA 3.29Å; E378-P433 WeakPolarHBondContact O-CA 3.44Å; E378-S434 PolarHBondContact N-O 2.87Å; E378-S434 PolarHBondContact O-N 2.94Å; E378-T436 HydrophobicContact CB-CG2 3.69Å; E378-T436 HydrophobicContact CG-CG2 3.43Å; E378-T436 VanDerWaalsContact CG-CG2 3.43Å; E378-T436 VanDerWaalsContact OE2-CG2 3.24Å; E378-T436 WeakPolarHBondContact OE2-CG2 3.39Å
379	D	77.7	Confident	86.2	Confident	54 Å²	54	44 Å²	44	29%	0.289	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.5	167.1	164	40.2	0	0	0	107.6	G381 I382 S384 K602	D379-G381 VanDerWaalsContact C-N 3.32Å; D379-G381 PolarHBondContact O-N 2.86Å; D379-I382 PolarHBondContact N-O 3.05Å; D379-I382 WeakPolarHBondContact O-CB 3.41Å; D379-I382 PolarHBondContact O-N 2.89Å; D379-S384 PolarHBondContact N-OG 2.64Å; D379-K602 IonicContact OD2-NZ 2.7Å; D379-K602 PolarHBondContact OD2-NZ 3.5Å
380	D	70.6	Confident	86.2	Confident	107 Å²	107	46.7 Å²	46.7	57%	0.572	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	48.9	-172.5	-162.9	36.9	0	0	0	114.9	I382	D380-I382 VanDerWaalsContact C-N 3.3Å; D380-I382 PolarHBondContact O-N 2.92Å
381	G	68.3	Low	86.1	Confident	49 Å²	49	48.5 Å²	48.5	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	6.5	179.8	0	0	0	0	0	115.3	D379	D379-G381 VanDerWaalsContact C-N 3.32Å; D379-G381 PolarHBondContact O-N 2.86Å
382	I	69.2	Low	86	Confident	30 Å²	30	54.6 Å²	54.6	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.8	179.9	-58.9	165.9	0	0	0	108.4	E378 D379 D380 S384 L582 K602	E378-I382 CarbonylContact C-O 3.6Å; E378-I382 VanDerWaalsContact CA-O 3.22Å; E378-I382 WeakPolarHBondContact CA-O 3.45Å; D379-I382 PolarHBondContact N-O 3.05Å; D379-I382 WeakPolarHBondContact O-CB 3.41Å; D379-I382 PolarHBondContact O-N 2.89Å; D380-I382 VanDerWaalsContact C-N 3.3Å; D380-I382 PolarHBondContact O-N 2.92Å; I382-S384 PolarHBondContact O-N 3.3Å; I382-L582 HydrophobicContact CG2-CD1 4.09Å; I382-K602 HydrophobicContact CD1-CB 4.09Å; I382-K602 HydrophobicContact CD1-CD 3.45Å; I382-K602 VanDerWaalsContact CD1-CD 3.45Å; I382-K602 HydrophobicContact CD1-CG 3.68Å
383	P	75.9	Confident	86	Confident	73 Å²	73	55 Å²	55	47%	0.474	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	126.7	179.3	-26.4	34.9	0	0	0	111.7
384	S	74.8	Confident	85.8	Confident	26 Å²	26	62.5 Å²	62.5	18%	0.182	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-43.1	-174.9	51.1	0	0	0	0	113.2	T377 D379 I382 M587	T377-S384 WeakPolarHBondContact CB-OG 3.25Å; T377-S384 PolarHBondContact O-N 2.85Å; T377-S384 PolarHBondContact O-OG 2.65Å; T377-S384 PolarHBondContact OG1-OG 3.24Å; D379-S384 PolarHBondContact N-OG 2.64Å; I382-S384 PolarHBondContact O-N 3.3Å; S384-M587 WeakPolarHBondContact O-CE 3.4Å
385	V	78.9	Confident	85.7	Confident	67 Å²	67	64.3 Å²	64.3	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.3	172.2	-175	0	0	0	0	108.6	R376 T377 C387	R376-V385 CarbonylContact C-O 3.54Å; R376-V385 VanDerWaalsContact CA-O 3.29Å; R376-V385 WeakPolarHBondContact CA-O 3.34Å; T377-V385 PolarHBondContact N-O 3.14Å; T377-V385 WeakPolarHBondContact OG1-CB 3.34Å; T377-V385 PolarHBondContact OG1-N 2.73Å; T377-V385 VanDerWaalsContact OG1-N 3.17Å; V385-C387 HydrophobicContact CG1-CB 3.91Å
386	S	85.4	Confident	85.8	Confident	83 Å²	83	66 Å²	66	58%	0.58	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	101.3	165.7	-173.9	0	0	0	0	107.5	V375	V375-S386 WeakPolarHBondContact O-CA 3.4Å
387	C	88.5	Confident	86	Confident	30 Å²	30	62.8 Å²	62.8	20%	0.203	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	166.1	-170.6	65.8	0	0	0	0	112.5	G374 V375 V385 L412	G374-C387 WeakPolarHBondContact CA-O 3.37Å; V375-C387 PolarHBondContact N-O 2.83Å; V375-C387 PolarHBondContact O-N 3.03Å; V385-C387 HydrophobicContact CG1-CB 3.91Å; C387-L412 VanDerWaalsContact SG-CD1 3.58Å
388	S	92	Very high	86.4	Confident	70 Å²	70	63.1 Å²	63.1	49%	0.49	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	159.5	168.3	61.9	0	0	0	0	112	V373	V373-S388 CarbonylContact O-C 3.55Å; V373-S388 WeakPolarHBondContact O-CA 3.4Å; V373-S388 WeakPolarHBondContact O-CB 3.5Å
389	R	93.5	Very high	87.2	Confident	100 Å²	100	67.8 Å²	67.8	38%	0.377	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.1	175.9	-68	-67.3	-173.3	-87.6	1.3	108.6	A372 V373 L408	A372-R389 CarbonylContact C-O 3.57Å; A372-R389 WeakPolarHBondContact CA-O 3.39Å; A372-R389 WeakPolarHBondContact CB-O 3.32Å; V373-R389 PolarHBondContact N-O 2.6Å; V373-R389 PolarHBondContact O-N 3.33Å; R389-L408 HydrophobicContact CB-CB 4Å; R389-L408 HydrophobicContact CB-CD1 4.26Å; R389-L408 HydrophobicContact CB-CD2 4.23Å; R389-L408 HydrophobicContact CB-CG 4.41Å; R389-L408 WeakPolarHBondContact CG-O 3.17Å
390	H	94.8	Very high	88.1	Confident	135 Å²	135	67.4 Å²	67.4	63%	0.625	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	152.8	-174.7	65	-90.6	0	0	0	111.9	L371 A372	L371-H390 CarbonylContact O-C 3.49Å; L371-H390 WeakPolarHBondContact O-CA 3.08Å; A372-H390 HydrophobicContact CB-CB 4Å
391	T	96	Very high	89.4	Confident	47 Å²	47	62.4 Å²	62.4	29%	0.288	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	178.8	176.8	-169.9	0	0	0	0	110.2	S370 L371 D404 L408	S370-T391 WeakPolarHBondContact CA-O 3.34Å; S370-T391 PolarHBondContact OG-O 2.89Å; L371-T391 HydrophobicContact CB-CG2 4.08Å; L371-T391 HydrophobicContact CD2-CG2 4.29Å; L371-T391 HydrophobicContact CG-CG2 4.45Å; L371-T391 PolarHBondContact N-O 3.11Å; L371-T391 PolarHBondContact O-N 2.94Å; L371-T391 VanDerWaalsContact O-O 3.08Å; T391-D404 HydrophobicContact CG2-CB 4.46Å; T391-L408 HydrophobicContact CG2-CD1 3.68Å; T391-L408 HydrophobicContact CG2-CG 4.41Å
392	Q	96.6	Very high	90.8	Very high	128 Å²	128	60.6 Å²	60.6	60%	0.598	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.3	169.4	-169.9	179	20.2	0	0	109.9	K369 R394	K369-Q392 CarbonylContact O-C 3.59Å; K369-Q392 WeakPolarHBondContact O-CA 3.46Å; Q392-R394 HydrophobicContact CB-CG 4.36Å; Q392-R394 HydrophobicContact CG-CG 4.43Å; Q392-R394 PolarHBondContact O-N 3.34Å
393	L	96.4	Very high	92.1	Very high	14 Å²	14	64 Å²	64	7%	0.073	35%	0.346	C	S	.	.			trans	-81.7	99.8	169.4	-179.6	50.4	0	0	0	108.4	L351 A368 K369 L371 A395 Y396 I401 A442	L351-L393 HydrophobicContact CD1-CD2 3.87Å; A368-L393 HydrophobicContact CB-CD2 4Å; K369-L393 PolarHBondContact O-N 3.46Å; L371-L393 HydrophobicContact CB-CB 4.01Å; L371-L393 HydrophobicContact CB-CD1 4.26Å; L393-A395 WeakPolarHBondContact CD1-O 3.36Å; L393-Y396 HydrophobicContact CD2-CD1 4.14Å; L393-Y396 HydrophobicContact CD2-CE1 3.83Å; L393-Y396 HydrophobicContact CG-CD1 4.39Å; L393-Y396 HydrophobicContact CG-CE1 4.39Å; L393-I401 HydrophobicContact CD1-CD1 4.09Å; L393-I401 HydrophobicContact CD1-CG1 3.76Å; L393-A442 HydrophobicContact CD2-CB 3.8Å
394	R	92.7	Very high	93	Very high	159 Å²	159	61.7 Å²	61.7	60%	0.6	33%	0.33	S	S	*	.			trans	-82	-29.6	-168.7	-56.9	-174.8	-66	146.6	-2.2	113.9	Q392 D404	Q392-R394 HydrophobicContact CB-CG 4.36Å; Q392-R394 HydrophobicContact CG-CG 4.43Å; Q392-R394 PolarHBondContact O-N 3.34Å; R394-D404 IonicContact CZ-OD1 3.68Å; R394-D404 IonicContact CZ-OD2 2.78Å; R394-D404 IonicContact NE-OD1 2.57Å; R394-D404 IonicContact NE-OD2 2.75Å; R394-D404 PolarHBondContact NE-OD2 3.03Å; R394-D404 VanDerWaalsContact NH2-CG 3.26Å; R394-D404 IonicContact NH2-OD1 3.28Å; R394-D404 PolarHBondContact NH2-OD1 2.89Å; R394-D404 IonicContact NH2-OD2 3.44Å; R394-D404 PolarHBondContact NH2-OD2 3.31Å
395	A	93.8	Very high	94	Very high	42 Å²	42	60.4 Å²	60.4	35%	0.347	32%	0.322	S	S	.	.			trans	-156.5	151.9	177.2	0	0	0	0	0	110.7	L393 A397	L393-A395 WeakPolarHBondContact CD1-O 3.36Å; A395-A397 HydrophobicContact CB-CB 4.31Å; A395-A397 PolarHBondContact O-N 2.95Å
396	Y	94.9	Very high	94.8	Very high	38 Å²	38	58 Å²	58	15%	0.149	31%	0.306	C	S	.	.	S	Bend	trans	-81.1	71.9	165.3	-67.5	-1.3	0	0	0	109.2	L351 Q355 T367 A368 L393	L351-Y396 HydrophobicContact CB-CD1 4.16Å; L351-Y396 HydrophobicContact CB-CD2 3.8Å; L351-Y396 HydrophobicContact CB-CE1 4.01Å; L351-Y396 HydrophobicContact CB-CE2 3.62Å; L351-Y396 HydrophobicContact CB-CG 4.06Å; L351-Y396 HydrophobicContact CD1-CD1 3.99Å; L351-Y396 HydrophobicContact CD1-CE1 3.87Å; L351-Y396 HydrophobicContact CD2-CE1 4.16Å; L351-Y396 HydrophobicContact CG-CE1 4.26Å; L351-Y396 WeakPolarHBondContact O-CE2 3.33Å; Q355-Y396 HydrophobicContact CB-CE2 3.8Å; Q355-Y396 HydrophobicContact CG-CE2 4.35Å; T367-Y396 WeakPolarHBondContact CA-OH 3.29Å; T367-Y396 HydrophobicContact CG2-CE1 4.48Å; A368-Y396 PolarHBondContact N-OH 3.44Å; L393-Y396 HydrophobicContact CD2-CD1 4.14Å; L393-Y396 HydrophobicContact CD2-CE1 3.83Å; L393-Y396 HydrophobicContact CG-CD1 4.39Å; L393-Y396 HydrophobicContact CG-CE1 4.39Å
397	A	96.4	Very high	95.2	Very high	34 Å²	34	57.1 Å²	57.1	28%	0.281	30%	0.303	S	S	.	.			trans	-141.9	117.2	177.8	0	0	0	0	0	109.2	A395 E399 V400 I401	A395-A397 HydrophobicContact CB-CB 4.31Å; A395-A397 PolarHBondContact O-N 2.95Å; A397-E399 PolarHBondContact O-N 2.9Å; A397-E399 VanDerWaalsContact O-N 3.14Å; A397-V400 HydrophobicContact CB-CB 4.32Å; A397-V400 HydrophobicContact CB-CG2 4Å; A397-V400 WeakPolarHBondContact O-CB 3.37Å; A397-V400 PolarHBondContact O-N 2.96Å; A397-I401 WeakPolarHBondContact O-CG1 3.48Å; A397-I401 PolarHBondContact O-N 3.09Å
398	S	97	Very high	95.3	Very high	17 Å²	17	57.4 Å²	57.4	12%	0.119	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-30.2	-171.4	44.1	0	0	0	0	113.9	S344 E348 A402	S344-S398 VanDerWaalsContact CB-O 3.25Å; S344-S398 WeakPolarHBondContact CB-O 3.32Å; E348-S398 WeakPolarHBondContact OE2-CA 2.98Å; E348-S398 WeakPolarHBondContact OE2-CB 3.3Å; E348-S398 PolarHBondContact OE2-N 2.88Å; E348-S398 PolarHBondContact OE2-OG 3.03Å; S398-A402 WeakPolarHBondContact O-CB 3.43Å; S398-A402 PolarHBondContact O-N 3.01Å
399	E	96.9	Very high	95.2	Very high	120 Å²	120	54.1 Å²	54.1	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-73.4	-36.6	175.2	-52.3	-149.6	136.4	0	0	112.5	K341 A397 N403	K341-E399 IonicContact NZ-OE1 2.74Å; K341-E399 PolarHBondContact NZ-OE1 2.87Å; A397-E399 PolarHBondContact O-N 2.9Å; A397-E399 VanDerWaalsContact O-N 3.14Å; E399-N403 WeakPolarHBondContact O-CB 3.44Å; E399-N403 VanDerWaalsContact O-CG 3.25Å; E399-N403 PolarHBondContact O-N 3.36Å; E399-N403 PolarHBondContact O-ND2 3.27Å
400	V	97	Very high	94.9	Very high	47 Å²	47	52.7 Å²	52.7	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-48	173.2	-178.6	0	0	0	0	109.7	A397 A402 N403 D404	A397-V400 HydrophobicContact CB-CB 4.32Å; A397-V400 HydrophobicContact CB-CG2 4Å; A397-V400 WeakPolarHBondContact O-CB 3.37Å; A397-V400 PolarHBondContact O-N 2.96Å; V400-A402 VanDerWaalsContact C-N 3.35Å; V400-A402 PolarHBondContact O-N 3.22Å; V400-N403 PolarHBondContact O-N 2.98Å; V400-D404 WeakPolarHBondContact O-CB 3.5Å; V400-D404 PolarHBondContact O-N 3.16Å
401	I	98.2	Very high	94.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-44.4	178.1	-63.6	169.1	0	0	0	110.7	S344 L347 L371 L393 A397 A405 L440	S344-I401 WeakPolarHBondContact OG-CG2 3.28Å; L347-I401 HydrophobicContact CD2-CG2 4.2Å; L371-I401 HydrophobicContact CD1-CG2 4.06Å; L371-I401 HydrophobicContact CD2-CB 4.49Å; L371-I401 HydrophobicContact CD2-CG2 3.91Å; L393-I401 HydrophobicContact CD1-CD1 4.09Å; L393-I401 HydrophobicContact CD1-CG1 3.76Å; A397-I401 WeakPolarHBondContact O-CG1 3.48Å; A397-I401 PolarHBondContact O-N 3.09Å; I401-A405 WeakPolarHBondContact O-CB 3.45Å; I401-A405 PolarHBondContact O-N 3.32Å; I401-L440 HydrophobicContact CG2-CD1 4.18Å
402	A	97.5	Very high	93.2	Very high	11 Å²	11	53.9 Å²	53.9	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-68.8	-37.8	-179.7	0	0	0	0	0	112.9	K341 S344 S398 V400 F406	K341-A402 HydrophobicContact CB-CB 4.39Å; S344-A402 WeakPolarHBondContact OG-CA 3.43Å; S344-A402 PolarHBondContact OG-N 2.82Å; S398-A402 WeakPolarHBondContact O-CB 3.43Å; S398-A402 PolarHBondContact O-N 3.01Å; V400-A402 VanDerWaalsContact C-N 3.35Å; V400-A402 PolarHBondContact O-N 3.22Å; A402-F406 VanDerWaalsContact O-CB 3.26Å; A402-F406 WeakPolarHBondContact O-CB 3.48Å; A402-F406 PolarHBondContact O-N 3.32Å
403	N	96.6	Very high	92.2	Very high	101 Å²	101	48.9 Å²	48.9	54%	0.54	26%	0.26	S	S	.	.	H	α-helix	trans	-70.3	-46.1	176.9	-75.5	-39.8	0	0	0	111.7	E399 V400 A405 F406 A407	E399-N403 WeakPolarHBondContact O-CB 3.44Å; E399-N403 VanDerWaalsContact O-CG 3.25Å; E399-N403 PolarHBondContact O-N 3.36Å; E399-N403 PolarHBondContact O-ND2 3.27Å; V400-N403 PolarHBondContact O-N 2.98Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 PolarHBondContact O-N 3.04Å; N403-F406 PolarHBondContact O-N 3.18Å; N403-A407 WeakPolarHBondContact O-CB 3.44Å; N403-A407 PolarHBondContact O-N 2.96Å
404	D	96.3	Very high	90.8	Very high	25 Å²	25	50.7 Å²	50.7	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-40.4	176.7	-71	-0.1	0	0	0	110.8	L371 T391 R394 V400 A407 L408	L371-D404 HydrophobicContact CD2-CB 4.37Å; T391-D404 HydrophobicContact CG2-CB 4.46Å; R394-D404 IonicContact CZ-OD1 3.68Å; R394-D404 IonicContact CZ-OD2 2.78Å; R394-D404 IonicContact NE-OD1 2.57Å; R394-D404 IonicContact NE-OD2 2.75Å; R394-D404 PolarHBondContact NE-OD2 3.03Å; R394-D404 VanDerWaalsContact NH2-CG 3.26Å; R394-D404 IonicContact NH2-OD1 3.28Å; R394-D404 PolarHBondContact NH2-OD1 2.89Å; R394-D404 IonicContact NH2-OD2 3.44Å; R394-D404 PolarHBondContact NH2-OD2 3.31Å; V400-D404 WeakPolarHBondContact O-CB 3.5Å; V400-D404 PolarHBondContact O-N 3.16Å; D404-A407 PolarHBondContact O-N 3.49Å; D404-L408 WeakPolarHBondContact O-CG 3.43Å; D404-L408 PolarHBondContact O-N 3.38Å
405	A	96	Very high	89.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-36.3	175.6	0	0	0	0	0	113	L340 V373 I401 N403 L440	L340-A405 HydrophobicContact CD2-CB 4.12Å; V373-A405 HydrophobicContact CG2-CB 3.58Å; I401-A405 WeakPolarHBondContact O-CB 3.45Å; I401-A405 PolarHBondContact O-N 3.32Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 PolarHBondContact O-N 3.04Å; A405-L440 HydrophobicContact CB-CD2 3.59Å
406	F	94.8	Very high	87.8	Confident	16 Å²	16	44.8 Å²	44.8	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-46.6	175	-178.8	-92.4	0	0	0	111.3	V333 V336 K337 L340 A402 N403 L408 I409 D410 W423	V333-F406 HydrophobicContact CG1-CE2 3.91Å; V333-F406 HydrophobicContact CG1-CZ 3.76Å; V336-F406 HydrophobicContact CG1-CD2 4.41Å; V336-F406 HydrophobicContact CG1-CE2 4.5Å; K337-F406 HydrophobicContact CD-CD2 4.15Å; K337-F406 HydrophobicContact CD-CE2 4.08Å; K337-F406 HydrophobicContact CD-CG 4.45Å; K337-F406 HydrophobicContact CD-CZ 4.35Å; K337-F406 VanDerWaalsContact CE-CD1 3.46Å; K337-F406 HydrophobicContact CG-CD2 3.43Å; K337-F406 VanDerWaalsContact CG-CD2 3.43Å; K337-F406 HydrophobicContact CG-CE2 3.57Å; K337-F406 HydrophobicContact CG-CG 4.07Å; K337-F406 HydrophobicContact CG-CZ 4.33Å; L340-F406 HydrophobicContact CD1-CB 3.74Å; L340-F406 HydrophobicContact CD1-CD2 3.99Å; L340-F406 HydrophobicContact CD1-CG 4.39Å; A402-F406 VanDerWaalsContact O-CB 3.26Å; A402-F406 WeakPolarHBondContact O-CB 3.48Å; A402-F406 PolarHBondContact O-N 3.32Å; N403-F406 PolarHBondContact O-N 3.18Å; F406-L408 VanDerWaalsContact C-N 3.27Å; F406-L408 PolarHBondContact O-N 3.36Å; F406-I409 CarbonylContact O-C 3.6Å; F406-I409 WeakPolarHBondContact O-CG1 3.37Å; F406-I409 PolarHBondContact O-N 2.96Å; F406-D410 HydrophobicContact CD1-CB 4.25Å; F406-D410 HydrophobicContact CE1-CB 3.69Å; F406-D410 WeakPolarHBondContact CE1-OD2 3.04Å; F406-D410 HydrophobicContact CZ-CB 4.01Å; F406-D410 VanDerWaalsContact CZ-CG 3.44Å; F406-D410 WeakPolarHBondContact CZ-OD1 3.09Å; F406-D410 PolarHBondContact O-N 3.26Å; F406-W423 AromaticContact CE2-CZ3 3.83Å; F406-W423 HydrophobicContact CE2-CZ3 3.83Å; F406-W423 HydrophobicContact CZ-CZ3 4.37Å
407	A	93	Very high	86.1	Confident	64 Å²	64	49 Å²	49	53%	0.529	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-39.2	179.7	0	0	0	0	0	112.3	N403 D404 I409	N403-A407 WeakPolarHBondContact O-CB 3.44Å; N403-A407 PolarHBondContact O-N 2.96Å; D404-A407 PolarHBondContact O-N 3.49Å; A407-I409 PolarHBondContact O-N 3.41Å; A407-I409 VanDerWaalsContact O-N 3.16Å
408	L	91.5	Very high	84.1	Confident	37 Å²	37	52.1 Å²	52.1	19%	0.194	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-14.3	174.5	-76.6	-179.9	0	0	0	115	V373 R389 T391 D404 F406	V373-L408 HydrophobicContact CG2-CB 4.32Å; V373-L408 HydrophobicContact CG2-CD1 3.85Å; R389-L408 HydrophobicContact CB-CB 4Å; R389-L408 HydrophobicContact CB-CD1 4.26Å; R389-L408 HydrophobicContact CB-CD2 4.23Å; R389-L408 HydrophobicContact CB-CG 4.41Å; R389-L408 WeakPolarHBondContact CG-O 3.17Å; T391-L408 HydrophobicContact CG2-CD1 3.68Å; T391-L408 HydrophobicContact CG2-CG 4.41Å; D404-L408 WeakPolarHBondContact O-CG 3.43Å; D404-L408 PolarHBondContact O-N 3.38Å; F406-L408 VanDerWaalsContact C-N 3.27Å; F406-L408 PolarHBondContact O-N 3.36Å
409	I	90	Very high	82.3	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-127.8	-7.4	-174.1	71.6	162.2	0	0	0	114.5	V336 L340 V373 V375 F406 A407 E411 L412 W423 L438	V336-I409 HydrophobicContact CG1-CD1 3.92Å; L340-I409 HydrophobicContact CD1-CD1 4.1Å; V373-I409 HydrophobicContact CB-CG2 4.13Å; V373-I409 HydrophobicContact CG1-CG2 3.67Å; V375-I409 HydrophobicContact CG2-CB 4.02Å; V375-I409 HydrophobicContact CG2-CD1 3.81Å; V375-I409 HydrophobicContact CG2-CG2 3.55Å; F406-I409 CarbonylContact O-C 3.6Å; F406-I409 WeakPolarHBondContact O-CG1 3.37Å; F406-I409 PolarHBondContact O-N 2.96Å; A407-I409 PolarHBondContact O-N 3.41Å; A407-I409 VanDerWaalsContact O-N 3.16Å; I409-E411 PolarHBondContact O-N 2.73Å; I409-L412 HydrophobicContact CB-CD1 4.13Å; I409-L412 HydrophobicContact CG2-CD1 4.37Å; I409-L412 VanDerWaalsContact O-CB 3.25Å; I409-L412 WeakPolarHBondContact O-CB 3.26Å; I409-L412 PolarHBondContact O-N 2.93Å; I409-W423 HydrophobicContact CB-CH2 4.5Å; I409-W423 HydrophobicContact CD1-CH2 3.92Å; I409-W423 HydrophobicContact CD1-CZ2 4.4Å; I409-W423 HydrophobicContact CG1-CH2 3.94Å; I409-W423 WeakPolarHBondContact O-CH2 3.44Å; I409-L438 HydrophobicContact CD1-CD2 4.1Å
410	D	86.2	Confident	80.5	Confident	70 Å²	70	54 Å²	54	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-28.4	176.3	-154.5	27.3	0	0	0	111.3	F406 L412 N413	F406-D410 HydrophobicContact CD1-CB 4.25Å; F406-D410 HydrophobicContact CE1-CB 3.69Å; F406-D410 WeakPolarHBondContact CE1-OD2 3.04Å; F406-D410 HydrophobicContact CZ-CB 4.01Å; F406-D410 VanDerWaalsContact CZ-CG 3.44Å; F406-D410 WeakPolarHBondContact CZ-OD1 3.09Å; F406-D410 PolarHBondContact O-N 3.26Å; D410-L412 PolarHBondContact O-N 3.43Å; D410-L412 VanDerWaalsContact O-N 3.15Å; D410-N413 WeakPolarHBondContact O-CB 3.13Å; D410-N413 PolarHBondContact O-N 3.08Å
411	E	78.4	Confident	79	Confident	160 Å²	160	60.4 Å²	60.4	75%	0.748	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.2	168.9	-61.5	-177.8	163.8	0	0	113.9	I409 N413	I409-E411 PolarHBondContact O-N 2.73Å; E411-N413 VanDerWaalsContact C-N 3.35Å
412	L	77	Confident	77.6	Confident	46 Å²	46	63.2 Å²	63.2	24%	0.241	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.6	176.2	-50.8	176.6	0	0	0	112.2	V375 C387 I409 D410 S414 W423	V375-L412 HydrophobicContact CB-CD1 4.22Å; V375-L412 HydrophobicContact CG1-CD1 4.47Å; V375-L412 HydrophobicContact CG2-CD1 4.25Å; C387-L412 VanDerWaalsContact SG-CD1 3.58Å; I409-L412 HydrophobicContact CB-CD1 4.13Å; I409-L412 HydrophobicContact CG2-CD1 4.37Å; I409-L412 VanDerWaalsContact O-CB 3.25Å; I409-L412 WeakPolarHBondContact O-CB 3.26Å; I409-L412 PolarHBondContact O-N 2.93Å; D410-L412 PolarHBondContact O-N 3.43Å; D410-L412 VanDerWaalsContact O-N 3.15Å; L412-S414 PolarHBondContact O-N 2.74Å; L412-W423 HydrophobicContact CB-CZ2 4.46Å
413	N	76.1	Confident	76.3	Confident	23 Å²	23	62.8 Å²	62.8	12%	0.123	35%	0.346	C	S	.	.			trans	-76.4	105	174.8	-174.7	1.8	0	0	0	109.6	V333 D410 E411 A415 I422 W423	V333-N413 WeakPolarHBondContact CG2-ND2 3.46Å; D410-N413 WeakPolarHBondContact O-CB 3.13Å; D410-N413 PolarHBondContact O-N 3.08Å; E411-N413 VanDerWaalsContact C-N 3.35Å; N413-A415 VanDerWaalsContact C-N 3.29Å; N413-A415 PolarHBondContact O-N 3.29Å; N413-A415 VanDerWaalsContact OD1-CB 3.25Å; N413-A415 WeakPolarHBondContact OD1-CB 3.47Å; N413-A415 PolarHBondContact OD1-N 3.05Å; N413-A415 VanDerWaalsContact OD1-N 3.15Å; N413-I422 PolarHBondContact ND2-O 3.47Å; N413-W423 HydrophobicContact CB-CD2 4.31Å; N413-W423 HydrophobicContact CB-CE3 4.25Å; N413-W423 HydrophobicContact CB-CH2 4.34Å; N413-W423 HydrophobicContact CB-CZ2 4.41Å; N413-W423 HydrophobicContact CB-CZ3 4.25Å; N413-W423 PolarHBondContact OD1-O 3.38Å
414	S	67.7	Low	74.3	Confident	53 Å²	53	58.4 Å²	58.4	37%	0.371	32%	0.324	S	S	.	.			trans	-90	16.2	-178.4	54	0	0	0	0	113.7	L412 K432	L412-S414 PolarHBondContact O-N 2.74Å; S414-K432 WeakPolarHBondContact O-CD 3.29Å; S414-K432 PolarHBondContact O-NZ 2.93Å
415	A	64.3	Low	71.8	Confident	20 Å²	20	57.2 Å²	57.2	17%	0.165	32%	0.318	C	S	.	.	S	Bend	trans	-71.2	153	168.7	0	0	0	0	0	111.7	N413 E419 A425	N413-A415 VanDerWaalsContact C-N 3.29Å; N413-A415 PolarHBondContact O-N 3.29Å; N413-A415 VanDerWaalsContact OD1-CB 3.25Å; N413-A415 WeakPolarHBondContact OD1-CB 3.47Å; N413-A415 PolarHBondContact OD1-N 3.05Å; N413-A415 VanDerWaalsContact OD1-N 3.15Å; A415-E419 HydrophobicContact CB-CB 4.03Å; A415-A425 HydrophobicContact CB-CB 4.29Å
416	S	57.4	Low	69.3	Low	56 Å²	56	63.3 Å²	63.3	39%	0.392	35%	0.349	S	S	.	.			trans	-74.4	163.6	175.6	65.3	0	0	0	0	112.1	A418 E419 K420	S416-A418 PolarHBondContact O-N 2.68Å; S416-A418 VanDerWaalsContact O-N 3.14Å; S416-E419 WeakPolarHBondContact CB-OE2 3.47Å; S416-E419 PolarHBondContact N-OE2 3.03Å; S416-E419 WeakPolarHBondContact O-CA 3.39Å; S416-E419 PolarHBondContact O-N 2.82Å; S416-E419 WeakPolarHBondContact OG-CG 3.32Å; S416-E419 PolarHBondContact OG-OE2 2.98Å; S416-K420 PolarHBondContact O-N 3.22Å
417	D	60.2	Low	66.8	Low	126 Å²	126	66.2 Å²	66.2	67%	0.674	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-53.8	-34.8	177.1	-79.6	-57.7	0	0	0	113.3	E419 K420	D417-E419 PolarHBondContact O-N 3.48Å; D417-K420 WeakPolarHBondContact O-CG 3.3Å; D417-K420 WeakPolarHBondContact OD1-CE 3.14Å; D417-K420 IonicContact OD1-NZ 2.83Å; D417-K420 PolarHBondContact OD1-NZ 2.86Å
418	A	53.7	Low	64.3	Low	101 Å²	101	70.2 Å²	70.2	84%	0.835	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-68.4	-20.2	176.5	0	0	0	0	0	113.5	S416	S416-A418 PolarHBondContact O-N 2.68Å; S416-A418 VanDerWaalsContact O-N 3.14Å
419	E	59.4	Low	62.2	Low	45 Å²	45	74.4 Å²	74.4	21%	0.21	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-105.9	4.9	-172.1	-66.9	173.7	109.4	0	0	113.7	A415 S416 D417 K421 I422 A425	A415-E419 HydrophobicContact CB-CB 4.03Å; S416-E419 WeakPolarHBondContact CB-OE2 3.47Å; S416-E419 PolarHBondContact N-OE2 3.03Å; S416-E419 WeakPolarHBondContact O-CA 3.39Å; S416-E419 PolarHBondContact O-N 2.82Å; S416-E419 WeakPolarHBondContact OG-CG 3.32Å; S416-E419 PolarHBondContact OG-OE2 2.98Å; D417-E419 PolarHBondContact O-N 3.48Å; E419-K421 PolarHBondContact O-N 3.17Å; E419-I422 PolarHBondContact O-N 3.47Å; E419-A425 WeakPolarHBondContact OE1-CB 3.49Å; E419-A425 WeakPolarHBondContact OE2-CB 3.43Å
420	K	60	Low	60.2	Low	132 Å²	132	81.1 Å²	81.1	57%	0.574	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-1.9	-171.8	-86.6	179	172.7	169.3	0	119.2	V333 S416 D417	V333-K420 WeakPolarHBondContact CG2-O 3.42Å; S416-K420 PolarHBondContact O-N 3.22Å; D417-K420 WeakPolarHBondContact O-CG 3.3Å; D417-K420 WeakPolarHBondContact OD1-CE 3.14Å; D417-K420 IonicContact OD1-NZ 2.83Å; D417-K420 PolarHBondContact OD1-NZ 2.86Å
421	K	64.9	Low	58.6	Low	181 Å²	181	81.8 Å²	81.8	79%	0.787	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-24.1	166.8	-64.8	177.2	-178.2	173.4	0	112.1	T332 V333 E419	T332-K421 WeakPolarHBondContact CB-O 3.33Å; V333-K421 PolarHBondContact N-O 3.05Å; E419-K421 PolarHBondContact O-N 3.17Å
422	I	69.6	Low	57.6	Low	59 Å²	59	77.3 Å²	77.3	30%	0.303	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-102.7	146.2	-174.2	-37.3	178.7	0	0	0	109.1	R331 N413 E419 S424	R331-I422 VanDerWaalsContact O-CG2 3.23Å; R331-I422 WeakPolarHBondContact O-CG2 3.47Å; N413-I422 PolarHBondContact ND2-O 3.47Å; E419-I422 PolarHBondContact O-N 3.47Å; I422-S424 WeakPolarHBondContact CG2-O 3.15Å
423	W	69.3	Low	57.2	Low	2 Å²	2	76.6 Å²	76.6	1%	0.008	42%	0.417	C	S	.	.	S	Bend	trans	-95.7	-27.7	172.9	-166.4	-79.3	0	0	0	111.7	R331 V333 V336 F406 I409 L412 N413 V435	R331-W423 PolarHBondContact O-N 2.9Å; V333-W423 HydrophobicContact CG2-CE3 4.03Å; V336-W423 HydrophobicContact CB-CE3 4.02Å; V336-W423 HydrophobicContact CB-CZ3 4.14Å; V336-W423 HydrophobicContact CG1-CE3 4.18Å; V336-W423 HydrophobicContact CG1-CH2 4.13Å; V336-W423 HydrophobicContact CG1-CZ3 3.81Å; V336-W423 HydrophobicContact CG2-CD2 3.87Å; V336-W423 HydrophobicContact CG2-CE3 3.73Å; V336-W423 HydrophobicContact CG2-CG 4.33Å; V336-W423 HydrophobicContact CG2-CZ3 4.22Å; F406-W423 AromaticContact CE2-CZ3 3.83Å; F406-W423 HydrophobicContact CE2-CZ3 3.83Å; F406-W423 HydrophobicContact CZ-CZ3 4.37Å; I409-W423 HydrophobicContact CB-CH2 4.5Å; I409-W423 HydrophobicContact CD1-CH2 3.92Å; I409-W423 HydrophobicContact CD1-CZ2 4.4Å; I409-W423 HydrophobicContact CG1-CH2 3.94Å; I409-W423 WeakPolarHBondContact O-CH2 3.44Å; L412-W423 HydrophobicContact CB-CZ2 4.46Å; N413-W423 HydrophobicContact CB-CD2 4.31Å; N413-W423 HydrophobicContact CB-CE3 4.25Å; N413-W423 HydrophobicContact CB-CH2 4.34Å; N413-W423 HydrophobicContact CB-CZ2 4.41Å; N413-W423 HydrophobicContact CB-CZ3 4.25Å; N413-W423 PolarHBondContact OD1-O 3.38Å; W423-V435 HydrophobicContact CD2-CG2 4.33Å; W423-V435 HydrophobicContact CG-CG2 4.31Å; W423-V435 HydrophobicContact CZ2-CG2 4.35Å
424	S	55.9	Low	57.6	Low	9 Å²	9	75.6 Å²	75.6	6%	0.063	41%	0.412	C	S	.	.	S	Bend	trans	-119.3	96.4	176.1	57.5	0	0	0	0	110.4	R331 I422 K432	R331-S424 PolarHBondContact O-N 3.32Å; I422-S424 WeakPolarHBondContact CG2-O 3.15Å; S424-K432 WeakPolarHBondContact CB-O 3.5Å
425	A	42.5	Very low	58.6	Low	1 Å²	1	73.1 Å²	73.1	1%	0.008	40%	0.395	C	S	.	.			trans	-55.4	140.1	173.6	0	0	0	0	0	112.2	A415 E419 V427 K432	A415-A425 HydrophobicContact CB-CB 4.29Å; E419-A425 WeakPolarHBondContact OE1-CB 3.49Å; E419-A425 WeakPolarHBondContact OE2-CB 3.43Å; A425-V427 HydrophobicContact CB-CG2 4.07Å; A425-V427 PolarHBondContact O-N 3.42Å; A425-K432 HydrophobicContact CB-CD 3.96Å; A425-K432 HydrophobicContact CB-CG 4.42Å
426	I	42.9	Very low	59.9	Low	127 Å²	127	73 Å²	73	65%	0.651	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	76.1	172.4	-55.1	-180	0	0	0	107.9	L428	I426-L428 HydrophobicContact CG2-CG 4.33Å; I426-L428 PolarHBondContact O-N 2.97Å
427	V	43.9	Very low	61.7	Low	77 Å²	77	71.3 Å²	71.3	47%	0.467	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	85.5	169.2	-173.7	0	0	0	0	107.7	A425 K430	A425-V427 HydrophobicContact CB-CG2 4.07Å; A425-V427 PolarHBondContact O-N 3.42Å; V427-K430 PolarHBondContact O-N 3Å; V427-K430 VanDerWaalsContact O-O 3.04Å
428	L	38.7	Very low	63.4	Low	149 Å²	149	65.3 Å²	65.3	78%	0.78	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	131	173.4	-75.3	170	0	0	0	109.4	I426	I426-L428 HydrophobicContact CG2-CG 4.33Å; I426-L428 PolarHBondContact O-N 2.97Å
429	P	49.2	Very low	65.5	Low	125 Å²	125	61 Å²	61	81%	0.812	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	cis	-96.3	11.3	16.1	37.6	-36.9	0	0	0	116.2
430	K	47.8	Very low	67.4	Low	142 Å²	142	59 Å²	59	62%	0.617	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.5	-172.7	-64.3	-174.6	179.5	-179.2	0	113.3	V427 K432	V427-K430 PolarHBondContact O-N 3Å; V427-K430 VanDerWaalsContact O-O 3.04Å; K430-K432 PolarHBondContact O-N 2.98Å
431	L	52	Low	69.1	Low	84 Å²	84	56.3 Å²	56.3	44%	0.44	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	121.1	165	-111.3	70.9	0	0	0	109.1
432	K	56.6	Low	70.7	Confident	66 Å²	66	47.7 Å²	47.7	29%	0.287	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-74	157.1	170	-77.3	-158.4	-169.8	161.9	0	111.8	S414 S424 A425 K430 S434	S414-K432 WeakPolarHBondContact O-CD 3.29Å; S414-K432 PolarHBondContact O-NZ 2.93Å; S424-K432 WeakPolarHBondContact CB-O 3.5Å; A425-K432 HydrophobicContact CB-CD 3.96Å; A425-K432 HydrophobicContact CB-CG 4.42Å; K430-K432 PolarHBondContact O-N 2.98Å; K432-S434 PolarHBondContact O-N 3.07Å
433	P	68.7	Low	72	Confident	31 Å²	31	46.1 Å²	46.1	20%	0.201	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-55.4	132.2	-169.5	13.4	-29.5	0	0	0	115.3	T377 E378	T377-P433 HydrophobicContact CG2-CB 4.09Å; E378-P433 VanDerWaalsContact O-CA 3.29Å; E378-P433 WeakPolarHBondContact O-CA 3.44Å
434	S	84.3	Confident	73.2	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.3	171.9	47.3	0	0	0	0	112	R331 T377 E378 K432 T436	R331-S434 VanDerWaalsContact CZ-OG 3.31Å; R331-S434 VanDerWaalsContact NH1-CB 3.31Å; R331-S434 PolarHBondContact NH1-OG 2.7Å; R331-S434 VanDerWaalsContact NH1-OG 3.12Å; R331-S434 PolarHBondContact NH2-OG 3.17Å; R331-S434 VanDerWaalsContact NH2-OG 3.07Å; T377-S434 CarbonylContact C-O 3.58Å; T377-S434 VanDerWaalsContact CA-O 3.24Å; T377-S434 WeakPolarHBondContact CA-O 3.22Å; E378-S434 PolarHBondContact N-O 2.87Å; E378-S434 PolarHBondContact O-N 2.94Å; K432-S434 PolarHBondContact O-N 3.07Å; S434-T436 PolarHBondContact O-N 2.99Å
435	V	89.7	Confident	75	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.8	-174	-178.5	0	0	0	0	111.1	A329 L330 V336 V375 R376 T377 W423 M437 L438	A329-V435 CarbonylContact C-O 3.58Å; A329-V435 WeakPolarHBondContact CA-O 3.44Å; L330-V435 HydrophobicContact CB-CB 4.11Å; L330-V435 HydrophobicContact CG-CB 4.44Å; L330-V435 PolarHBondContact N-O 3.47Å; L330-V435 PolarHBondContact O-N 3.04Å; V336-V435 HydrophobicContact CG2-CG2 4.16Å; V375-V435 HydrophobicContact CG1-CG1 4.07Å; V375-V435 HydrophobicContact CG1-CG2 4.4Å; R376-V435 CarbonylContact O-C 3.58Å; R376-V435 WeakPolarHBondContact O-CA 3.45Å; T377-V435 HydrophobicContact CG2-CG2 4.31Å; W423-V435 HydrophobicContact CD2-CG2 4.33Å; W423-V435 HydrophobicContact CG-CG2 4.31Å; W423-V435 HydrophobicContact CZ2-CG2 4.35Å; V435-M437 WeakPolarHBondContact CG1-O 3.45Å; V435-L438 HydrophobicContact CG1-CD2 3.83Å; V435-L438 HydrophobicContact CG1-CG 3.9Å
436	T	92.2	Very high	77.3	Confident	17 Å²	17	60.9 Å²	60.9	10%	0.104	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-10	-179.4	56.6	0	0	0	0	114	N323 F324 A329 R376 E378 S434	N323-T436 CarbonylContact C-O 3.18Å; N323-T436 WeakPolarHBondContact CA-O 3.48Å; F324-T436 PolarHBondContact N-O 3.3Å; A329-T436 HydrophobicContact CB-CG2 4.17Å; R376-T436 WeakPolarHBondContact CG-OG1 3.27Å; R376-T436 PolarHBondContact O-N 3.08Å; R376-T436 PolarHBondContact O-OG1 3.49Å; E378-T436 HydrophobicContact CB-CG2 3.69Å; E378-T436 HydrophobicContact CG-CG2 3.43Å; E378-T436 VanDerWaalsContact CG-CG2 3.43Å; E378-T436 VanDerWaalsContact OE2-CG2 3.24Å; E378-T436 WeakPolarHBondContact OE2-CG2 3.39Å; S434-T436 PolarHBondContact O-N 2.99Å
437	M	94.6	Very high	79.3	Confident	22 Å²	22	61 Å²	61	11%	0.108	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	137	173.2	-174.9	-83.4	-58.7	0	0	110.7	K322 N323 V375 R376 V435 A439	K322-M437 WeakPolarHBondContact O-CA 3.31Å; N323-M437 WeakPolarHBondContact OD1-CG 3.5Å; V375-M437 WeakPolarHBondContact CA-O 3.39Å; R376-M437 HydrophobicContact CB-CB 3.73Å; R376-M437 HydrophobicContact CB-CE 4.15Å; R376-M437 PolarHBondContact N-O 2.99Å; R376-M437 PolarHBondContact O-N 2.9Å; V435-M437 WeakPolarHBondContact CG1-O 3.45Å; M437-A439 HydrophobicContact SD-CB 3.58Å; M437-A439 VanDerWaalsContact SD-CB 3.58Å
438	L	96.5	Very high	80.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.5	163	-67.7	174.4	0	0	0	109.4	S321 K322 F324 L330 V336 W339 L340 L343 G374 V375 I409 V435	S321-L438 CarbonylContact C-O 3.56Å; S321-L438 WeakPolarHBondContact CA-O 3.25Å; K322-L438 PolarHBondContact N-O 3.05Å; K322-L438 PolarHBondContact O-N 3.2Å; F324-L438 HydrophobicContact CE2-CB 4.1Å; F324-L438 HydrophobicContact CE2-CD1 4.24Å; F324-L438 HydrophobicContact CE2-CG 4.11Å; L330-L438 HydrophobicContact CD1-CD1 3.69Å; L330-L438 HydrophobicContact CD1-CG 4.4Å; V336-L438 HydrophobicContact CG1-CD1 4.34Å; W339-L438 HydrophobicContact CB-CD1 3.85Å; L340-L438 HydrophobicContact CD2-CD1 4.4Å; L340-L438 HydrophobicContact CG-CD1 4.32Å; L343-L438 HydrophobicContact CD1-CB 3.76Å; G374-L438 WeakPolarHBondContact O-CA 3.34Å; V375-L438 HydrophobicContact CG1-CD2 4.47Å; V375-L438 HydrophobicContact CG2-CD2 4.09Å; I409-L438 HydrophobicContact CD1-CD2 4.1Å; V435-L438 HydrophobicContact CG1-CD2 3.83Å; V435-L438 HydrophobicContact CG1-CG 3.9Å
439	A	97.4	Very high	81.3	Confident	11 Å²	11	59.2 Å²	59.2	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.5	174.4	0	0	0	0	0	110.9	C320 V373 G374 M437 W441	C320-A439 CarbonylContact O-C 3.53Å; C320-A439 WeakPolarHBondContact O-CA 3.47Å; V373-A439 CarbonylContact C-O 3.55Å; V373-A439 WeakPolarHBondContact CA-O 3.39Å; G374-A439 PolarHBondContact N-O 3.26Å; G374-A439 PolarHBondContact O-N 3.27Å; M437-A439 HydrophobicContact SD-CB 3.58Å; M437-A439 VanDerWaalsContact SD-CB 3.58Å; A439-W441 HydrophobicContact CB-CE3 4.2Å; A439-W441 HydrophobicContact CB-CZ3 3.94Å
440	L	98.1	Very high	81.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.2	170.3	-56.6	176.7	0	0	0	108.7	G319 C320 L340 L343 S344 L347 A372 V373 I401 A405	G319-L440 CarbonylContact C-O 3.53Å; G319-L440 WeakPolarHBondContact CA-O 3.44Å; C320-L440 PolarHBondContact N-O 2.6Å; C320-L440 PolarHBondContact O-N 3.28Å; L340-L440 HydrophobicContact CD2-CD2 4.05Å; L343-L440 HydrophobicContact CB-CD1 3.73Å; L343-L440 HydrophobicContact CB-CG 4.19Å; S344-L440 WeakPolarHBondContact OG-CD1 3.42Å; L347-L440 HydrophobicContact CD2-CB 3.78Å; L347-L440 HydrophobicContact CD2-CD1 4.44Å; A372-L440 WeakPolarHBondContact O-CA 3.39Å; V373-L440 HydrophobicContact CB-CD2 4.29Å; V373-L440 HydrophobicContact CG1-CD2 4Å; V373-L440 HydrophobicContact CG2-CD2 3.88Å; I401-L440 HydrophobicContact CG2-CD1 4.18Å; A405-L440 HydrophobicContact CB-CD2 3.59Å
441	W	96.7	Very high	81.1	Confident	76 Å²	76	54.4 Å²	54.4	29%	0.288	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.2	168.2	58	99.2	0	0	0	112.4	I318 A372 A439	I318-W441 WeakPolarHBondContact O-CA 3.2Å; A372-W441 HydrophobicContact CB-CD2 4.11Å; A372-W441 VanDerWaalsContact CB-CE2 3.47Å; A372-W441 HydrophobicContact CB-CG 4.41Å; A372-W441 HydrophobicContact CB-CH2 4.5Å; A372-W441 HydrophobicContact CB-CZ2 3.69Å; A372-W441 PolarHBondContact N-O 2.83Å; A372-W441 PolarHBondContact O-N 2.77Å; A439-W441 HydrophobicContact CB-CE3 4.2Å; A439-W441 HydrophobicContact CB-CZ3 3.94Å
442	A	97.9	Very high	80.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.5	169.8	0	0	0	0	0	109.9	S317 I318 L347 L351 A368 S370 L393	S317-A442 CarbonylContact C-O 3.59Å; S317-A442 VanDerWaalsContact CA-O 3.24Å; S317-A442 WeakPolarHBondContact CA-O 3.15Å; S317-A442 WeakPolarHBondContact CB-O 3.24Å; I318-A442 PolarHBondContact N-O 3.34Å; I318-A442 PolarHBondContact O-N 3.04Å; L347-A442 HydrophobicContact CD1-CB 4.09Å; L351-A442 HydrophobicContact CD1-CB 3.82Å; L351-A442 HydrophobicContact CD2-CB 3.76Å; L351-A442 HydrophobicContact CG-CB 4.3Å; A368-A442 HydrophobicContact CB-CB 3.84Å; S370-A442 CarbonylContact O-C 3.58Å; S370-A442 WeakPolarHBondContact O-CA 3.14Å; L393-A442 HydrophobicContact CD2-CB 3.8Å
443	S	96.9	Very high	79.9	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-177.7	-177.1	67.6	0	0	0	0	110.7	K369 S370	K369-S443 PolarHBondContact N-O 2.97Å; S370-S443 PolarHBondContact N-O 3.32Å; S370-S443 PolarHBondContact O-N 2.82Å
444	R	94.6	Very high	78.5	Confident	176 Å²	176	60 Å²	60	66%	0.664	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.6	67.1	-168.1	-53.4	-171.9	-169	-170.6	2.8	110	K369	K369-R444 PolarHBondContact N-O 3.43Å
445	F	94	Very high	76.9	Confident	40 Å²	40	64.3 Å²	64.3	18%	0.175	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.9	172.5	-72.2	-90.3	0	0	0	109.3	I318 L351 D354 R366 A368	I318-F445 HydrophobicContact CB-CZ 4.21Å; I318-F445 HydrophobicContact CD1-CE1 4.31Å; I318-F445 HydrophobicContact CD1-CZ 3.79Å; I318-F445 HydrophobicContact CG1-CE2 4.4Å; I318-F445 HydrophobicContact CG1-CZ 3.79Å; L351-F445 HydrophobicContact CD2-CE1 4.05Å; L351-F445 HydrophobicContact CD2-CZ 4.03Å; D354-F445 VanDerWaalsContact OD2-CE1 3.24Å; D354-F445 WeakPolarHBondContact OD2-CE1 3.46Å; R366-F445 HydrophobicContact CB-CB 4.4Å; R366-F445 HydrophobicContact CB-CD1 4.22Å; R366-F445 HydrophobicContact CG-CB 4.41Å; R366-F445 HydrophobicContact CG-CD1 3.65Å; R366-F445 HydrophobicContact CG-CE1 4.3Å; R366-F445 HydrophobicContact CG-CG 4.34Å; A368-F445 HydrophobicContact CB-CD1 3.85Å; A368-F445 HydrophobicContact CB-CD2 4.45Å; A368-F445 HydrophobicContact CB-CE1 3.66Å; A368-F445 HydrophobicContact CB-CE2 4.25Å; A368-F445 HydrophobicContact CB-CG 4.25Å; A368-F445 HydrophobicContact CB-CZ 3.86Å
446	E	90.9	Very high	74.8	Confident	107 Å²	107	70.6 Å²	70.6	50%	0.5	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.8	166.5	-69.4	163.4	-155.6	0	0	107.7	R366 T367 K369	R366-E446 CarbonylContact C-O 3.49Å; R366-E446 WeakPolarHBondContact CA-O 3.36Å; T367-E446 PolarHBondContact N-O 2.84Å; T367-E446 PolarHBondContact O-N 3.03Å; K369-E446 WeakPolarHBondContact CE-OE2 3.48Å; K369-E446 HydrophobicContact CG-CG 4.24Å; K369-E446 VanDerWaalsContact CG-OE1 3.29Å; K369-E446 WeakPolarHBondContact CG-OE1 3.25Å; K369-E446 IonicContact NZ-OE2 3.07Å
447	D	85	Confident	72.8	Confident	128 Å²	128	73.7 Å²	73.7	68%	0.684	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.8	175.2	-60.5	-33.6	0	0	0	109.5	V449	D447-V449 PolarHBondContact O-N 3.28Å
448	T	70.6	Confident	70.8	Confident	61 Å²	61	74.7 Å²	74.7	37%	0.374	39%	0.388	S	S	.	.			trans	-84.1	86.4	-170	-45.2	0	0	0	0	108.8	F365 R366 T367 D450	F365-T448 VanDerWaalsContact C-OG1 3.31Å; F365-T448 WeakPolarHBondContact O-CA 3.33Å; F365-T448 WeakPolarHBondContact O-CB 3.44Å; F365-T448 PolarHBondContact O-N 3.01Å; F365-T448 PolarHBondContact O-OG1 3.34Å; R366-T448 WeakPolarHBondContact CA-OG1 3.34Å; R366-T448 PolarHBondContact N-OG1 2.78Å; T367-T448 PolarHBondContact N-OG1 3.45Å; T367-T448 PolarHBondContact OG1-OG1 3.17Å; T448-D450 PolarHBondContact O-N 3.29Å
449	V	53.4	Low	68.6	Low	129 Å²	129	82.2 Å²	82.2	78%	0.782	42%	0.421	S	S	*	.			trans	-59.8	124	-179.6	-170.5	0	0	0	0	110.4	D447	D447-V449 PolarHBondContact O-N 3.28Å
450	D	47.7	Very low	66.5	Low	53 Å²	53	89.8 Å²	89.8	28%	0.283	45%	0.452	S	S	.	.			trans	66.1	104.5	172.5	-134	-42.8	0	0	0	117.2	T448 N452 T453 L471	T448-D450 PolarHBondContact O-N 3.29Å; D450-N452 PolarHBondContact O-N 3.17Å; D450-N452 VanDerWaalsContact O-N 3.13Å; D450-N452 WeakPolarHBondContact OD1-CB 3.25Å; D450-N452 PolarHBondContact OD1-N 2.83Å; D450-N452 PolarHBondContact OD1-ND2 3.06Å; D450-T453 PolarHBondContact O-N 3.31Å; D450-T453 PolarHBondContact O-OG1 3.16Å; D450-L471 WeakPolarHBondContact OD2-CD1 3.46Å
451	V	46	Very low	64	Low	112 Å²	112	96.2 Å²	96.2	68%	0.679	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	174.5	-170.7	0	0	0	0	112	C469	V451-C469 HydrophobicContact CB-CB 4.49Å
452	N	41.8	Very low	61.2	Low	80 Å²	80	98 Å²	98	43%	0.428	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.1	-178.6	-61	-60.5	0	0	0	114.6	D450 K454 L471	D450-N452 PolarHBondContact O-N 3.17Å; D450-N452 VanDerWaalsContact O-N 3.13Å; D450-N452 WeakPolarHBondContact OD1-CB 3.25Å; D450-N452 PolarHBondContact OD1-N 2.83Å; D450-N452 PolarHBondContact OD1-ND2 3.06Å; N452-K454 PolarHBondContact O-N 3.3Å; N452-K454 VanDerWaalsContact O-N 3.15Å; N452-L471 WeakPolarHBondContact ND2-CD1 3.46Å
453	T	40.4	Very low	58.3	Low	101 Å²	101	102.8 Å²	102.8	62%	0.62	54%	0.541	S	S	*	.			trans	-85.4	87.7	-179.1	-46.2	0	0	0	0	111.2	D450 I455	D450-T453 PolarHBondContact O-N 3.31Å; D450-T453 PolarHBondContact O-OG1 3.16Å; T453-I455 PolarHBondContact O-N 2.94Å; T453-I455 VanDerWaalsContact O-N 3.16Å
454	K	40.5	Very low	55.2	Low	118 Å²	118	106.2 Å²	106.2	51%	0.513	57%	0.565	S	S	.	*			trans	-50.8	120.4	174.5	-70.6	-175.5	176.6	-178.9	0	110.8	N452 D458 F459 E466	N452-K454 PolarHBondContact O-N 3.3Å; N452-K454 VanDerWaalsContact O-N 3.15Å; K454-D458 HydrophobicContact CB-CB 4.3Å; K454-F459 HydrophobicContact CB-CE2 4.45Å; K454-E466 IonicContact NZ-OE1 3.57Å; K454-E466 PolarHBondContact NZ-OE1 2.92Å
455	I	50.4	Low	52.4	Low	92 Å²	92	107.1 Å²	107.1	47%	0.472	58%	0.579	S	S	.	*			trans	-68.8	152.7	177.8	-45.6	173.6	0	0	0	107.4	T453 T457 D458	T453-I455 PolarHBondContact O-N 2.94Å; T453-I455 VanDerWaalsContact O-N 3.16Å; I455-T457 WeakPolarHBondContact CG2-OG1 3.49Å; I455-T457 PolarHBondContact O-N 2.91Å; I455-D458 WeakPolarHBondContact CB-OD2 3.41Å; I455-D458 WeakPolarHBondContact CG1-OD2 3.33Å; I455-D458 PolarHBondContact N-OD2 3.25Å; I455-D458 WeakPolarHBondContact O-CB 3.49Å; I455-D458 PolarHBondContact O-N 3.41Å
456	I	46	Very low	49.5	Very low	133 Å²	133	111 Å²	111	68%	0.682	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-21	-179.7	-149.8	169.6	0	0	0	113.1	F460	I456-F460 WeakPolarHBondContact O-CD2 3.33Å; I456-F460 VanDerWaalsContact O-CE2 3.26Å; I456-F460 WeakPolarHBondContact O-CE2 3.42Å
457	T	50.2	Low	47	Very low	82 Å²	82	113.1 Å²	113.1	50%	0.503	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-24.4	171.7	46	0	0	0	0	114.2	I455 F459 F460	I455-T457 WeakPolarHBondContact CG2-OG1 3.49Å; I455-T457 PolarHBondContact O-N 2.91Å; T457-F459 VanDerWaalsContact C-N 3.34Å; T457-F460 PolarHBondContact O-N 3.47Å
458	D	51.8	Low	44.5	Very low	42 Å²	42	113.9 Å²	113.9	23%	0.225	62%	0.617	C	S	.	*	G	3₁₀ helix	trans	-75.6	-25.4	-179.2	-59.3	-42.3	0	0	0	112	K454 I455 F460 K461	K454-D458 HydrophobicContact CB-CB 4.3Å; I455-D458 WeakPolarHBondContact CB-OD2 3.41Å; I455-D458 WeakPolarHBondContact CG1-OD2 3.33Å; I455-D458 PolarHBondContact N-OD2 3.25Å; I455-D458 WeakPolarHBondContact O-CB 3.49Å; I455-D458 PolarHBondContact O-N 3.41Å; D458-F460 PolarHBondContact O-N 3.16Å; D458-F460 VanDerWaalsContact O-N 3.15Å; D458-K461 PolarHBondContact O-N 3.1Å; D458-K461 VanDerWaalsContact OD1-CE 3.23Å; D458-K461 WeakPolarHBondContact OD1-CE 3.39Å; D458-K461 IonicContact OD1-NZ 3Å; D458-K461 PolarHBondContact OD1-NZ 2.81Å
459	F	49.6	Very low	42.4	Very low	158 Å²	158	113.4 Å²	113.4	69%	0.693	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-62	-14.5	169	-78.2	-95.9	0	0	0	113.8	K454 T457	K454-F459 HydrophobicContact CB-CE2 4.45Å; T457-F459 VanDerWaalsContact C-N 3.34Å
460	F	54.2	Low	41.3	Very low	171 Å²	171	113.5 Å²	113.5	75%	0.75	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-107.5	7	-179.6	-60.1	-77.8	0	0	0	113.6	I456 T457 D458	I456-F460 WeakPolarHBondContact O-CD2 3.33Å; I456-F460 VanDerWaalsContact O-CE2 3.26Å; I456-F460 WeakPolarHBondContact O-CE2 3.42Å; T457-F460 PolarHBondContact O-N 3.47Å; D458-F460 PolarHBondContact O-N 3.16Å; D458-F460 VanDerWaalsContact O-N 3.15Å
461	K	45.8	Very low	40.3	Very low	136 Å²	136	114.9 Å²	114.9	59%	0.591	62%	0.623	S	S	*	*	S	Bend	trans	-83	141.2	174.1	-71.1	174.6	176	167.5	0	110.6	D458	D458-K461 PolarHBondContact O-N 3.1Å; D458-K461 VanDerWaalsContact OD1-CE 3.23Å; D458-K461 WeakPolarHBondContact OD1-CE 3.39Å; D458-K461 IonicContact OD1-NZ 3Å; D458-K461 PolarHBondContact OD1-NZ 2.81Å
462	P	38.5	Very low	39.6	Very low	112 Å²	112	116.4 Å²	116.4	73%	0.727	63%	0.632	S	S	*	*			trans	-57.5	142.3	169.4	-23.9	34.7	0	0	0	111.5	S464	P462-S464 VanDerWaalsContact C-N 3.28Å; P462-S464 PolarHBondContact O-N 2.71Å
463	A	35.1	Very low	38.8	Very low	101 Å²	101	120.9 Å²	120.9	84%	0.835	65%	0.648	S	S	*	*	S	Bend	trans	-76	67.8	-170.5	0	0	0	0	0	113.7
464	S	33.8	Very low	38.4	Very low	98 Å²	98	122 Å²	122	69%	0.685	66%	0.66	S	S	*	*			trans	-143.2	126.1	169.9	54.4	0	0	0	0	111.8	P462	P462-S464 VanDerWaalsContact C-N 3.28Å; P462-S464 PolarHBondContact O-N 2.71Å
465	M	34.5	Very low	37.7	Very low	195 Å²	195	120.9 Å²	120.9	96%	0.961	67%	0.673	S	S	*	*			trans	90.9	89.7	-177.6	-56.2	-172.6	169.3	0	0	116.4
466	E	34.3	Very low	36.8	Very low	123 Å²	123	122.7 Å²	122.7	58%	0.575	69%	0.688	S	S	*	*			trans	-148	155.3	171.5	-61.6	177.8	102.6	0	0	107.1	K454	K454-E466 IonicContact NZ-OE1 3.57Å; K454-E466 PolarHBondContact NZ-OE1 2.92Å
467	D	36.5	Very low	36.1	Very low	150 Å²	150	122.4 Å²	122.4	80%	0.802	69%	0.692	S	S	*	*			cis	-99.5	-125	-4.9	-58.9	-80.5	0	0	0	110.9
468	D	32.8	Very low	35	Very low	145 Å²	145	125.9 Å²	125.9	78%	0.775	71%	0.708	S	S	*	*			cis	-148.6	154.8	4	170.3	46.8	0	0	0	110
469	C	26.7	Very low	34	Very low	50 Å²	50	130.2 Å²	130.2	34%	0.338	74%	0.736	S	S	.	*			trans	-161.6	139.7	174.2	-160.3	0	0	0	0	113.1	V451	V451-C469 HydrophobicContact CB-CB 4.49Å
470	V	31.2	Very low	33.2	Very low	131 Å²	131	130.2 Å²	130.2	79%	0.794	74%	0.743	S	S	*	*			trans	-111	136.8	-177.3	-179.4	0	0	0	0	112.2
471	L	27.2	Very low	32	Very low	82 Å²	82	125 Å²	125	43%	0.429	74%	0.737	S	S	.	*			trans	-110.9	150.7	-172	-89.3	167.7	0	0	0	114.4	D450 N452	D450-L471 WeakPolarHBondContact OD2-CD1 3.46Å; N452-L471 WeakPolarHBondContact ND2-CD1 3.46Å
472	V	29.5	Very low	31.2	Very low	145 Å²	145	125 Å²	125	88%	0.879	75%	0.752	S	S	*	*			trans	-136.3	144.6	155.6	-177.5	0	0	0	0	108.8
473	K	26.1	Very low	30.8	Very low	174 Å²	174	126.5 Å²	126.5	76%	0.757	76%	0.759	S	S	*	*			trans	-122.2	146.1	-172.7	-61	178.6	179.2	-179.7	0	112.9
474	S	30.7	Very low	30.4	Very low	124 Å²	124	128.5 Å²	128.5	87%	0.867	76%	0.761	S	S	*	*			trans	-158.7	156.8	140.8	56.8	0	0	0	0	110.3
475	A	27.4	Very low	30.2	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	77%	0.768	S	S	*	*			trans	-128.9	175.5	179.4	0	0	0	0	0	110.3
476	V	30.7	Very low	29.9	Very low	130 Å²	130	126.7 Å²	126.7	79%	0.788	76%	0.762	S	S	*	*			trans	179.3	116.5	136.8	145.2	0	0	0	0	112.7
477	T	31.1	Very low	29.7	Very low	127 Å²	127	125.1 Å²	125.1	78%	0.779	77%	0.77	S	S	*	*			trans	36.7	138.7	150.6	66.1	0	0	0	0	125.2
478	D	27.3	Very low	29.4	Very low	154 Å²	154	123.6 Å²	123.6	82%	0.824	77%	0.768	S	S	*	*			trans	-80.2	156.2	165.2	-58.9	-81.5	0	0	0	116
479	T	30.1	Very low	29.1	Very low	133 Å²	133	126.8 Å²	126.8	82%	0.816	78%	0.775	S	S	*	*			trans	176.5	151.5	139.7	20.7	0	0	0	0	107.4
480	D	32.8	Very low	29.3	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	80%	0.801	S	S	*	*			cis	-145.1	176.6	11.6	-129.6	-35.2	0	0	0	112.3
481	G	29.5	Very low	29.6	Very low	61 Å²	61	136 Å²	136	63%	0.629	80%	0.804	S	S	*	*			trans	-82.5	175.2	-165.3	0	0	0	0	0	119.8
482	P	29.8	Very low	30	Very low	137 Å²	137	141.4 Å²	141.4	89%	0.89	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-92.5	137.8	-171.2	35.4	-34.4	0	0	0	114.9
483	T	29.7	Very low	31.1	Very low	143 Å²	143	138.7 Å²	138.7	88%	0.877	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-90.8	142.9	171.6	-0.2	0	0	0	0	112.3
484	T	25.9	Very low	32.6	Very low	143 Å²	143	134 Å²	134	88%	0.877	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80.9	149.6	176.5	42.2	0	0	0	0	112.4
485	S	29.5	Very low	33.7	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	77%	0.774	S	S	*	*			trans	-141.9	138.1	167	-173.4	0	0	0	0	110.3
486	T	28.8	Very low	35.1	Very low	134 Å²	134	133.9 Å²	133.9	82%	0.822	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-79	136.7	-171.4	43.7	0	0	0	0	112.9
487	A	29.7	Very low	36.7	Very low	90 Å²	90	133.1 Å²	133.1	74%	0.744	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.8	145.9	169	0	0	0	0	0	111.4
488	P	30.1	Very low	38.1	Very low	118 Å²	118	129.6 Å²	129.6	77%	0.766	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-68.7	150.7	173.2	30.3	-34.9	0	0	0	111.1	Q490	P488-Q490 PolarHBondContact O-N 3.05Å
489	K	27.1	Very low	39.7	Very low	212 Å²	212	122.7 Å²	122.7	92%	0.922	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-59.5	126.7	175.5	-66.8	-177.5	177.4	-176.9	0	110.1
490	Q	32	Very low	41.5	Very low	190 Å²	190	120.9 Å²	120.9	89%	0.888	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-72.8	145.3	165.6	-68.9	178.9	-67	0	0	109.5	P488	P488-Q490 PolarHBondContact O-N 3.05Å
491	Q	35.7	Very low	42.9	Very low	185 Å²	185	115.7 Å²	115.7	86%	0.864	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-88	120.1	179.3	-167.8	168.9	-4.8	0	0	107.8	V493	Q491-V493 PolarHBondContact O-N 3.37Å
492	E	37.3	Very low	44.3	Very low	195 Å²	195	113.1 Å²	113.1	91%	0.911	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-66.2	118.1	-177.9	-69.9	-177.5	126.6	0	0	110.3
493	V	51.6	Low	46	Very low	89 Å²	89	111.2 Å²	111.2	54%	0.539	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-79.8	118.7	175.6	177.7	0	0	0	0	108.4	Q491 P495 Y498	Q491-V493 PolarHBondContact O-N 3.37Å; V493-P495 VanDerWaalsContact O-CD 3.25Å; V493-P495 WeakPolarHBondContact O-CD 3.22Å; V493-Y498 HydrophobicContact CG1-CD2 4.02Å; V493-Y498 HydrophobicContact CG1-CG 4.26Å
494	N	58.2	Low	47.7	Very low	75 Å²	75	107.3 Å²	107.3	40%	0.401	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-62.3	117.3	175.5	178.5	1.4	0	0	0	110.3	E496 E497 Y498	N494-E496 VanDerWaalsContact C-N 3.28Å; N494-E496 PolarHBondContact O-N 3.49Å; N494-E496 PolarHBondContact OD1-N 3.2Å; N494-E496 VanDerWaalsContact OD1-N 3.12Å; N494-E497 HydrophobicContact CB-CB 3.92Å; N494-E497 PolarHBondContact O-N 2.66Å; N494-Y498 PolarHBondContact O-N 3.49Å; N494-Y498 VanDerWaalsContact O-N 3.08Å
495	P	52.4	Low	49.4	Very low	68 Å²	68	101.9 Å²	101.9	44%	0.442	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-30.2	-177.3	-23.9	35.4	0	0	0	114	V493 A499	V493-P495 VanDerWaalsContact O-CD 3.25Å; V493-P495 WeakPolarHBondContact O-CD 3.22Å; P495-A499 WeakPolarHBondContact O-CB 3.24Å; P495-A499 PolarHBondContact O-N 2.87Å
496	E	58.8	Low	50.9	Low	149 Å²	149	96.7 Å²	96.7	70%	0.696	51%	0.512	S	S	*	.	H	α-helix	trans	-74	-39.9	179.3	-63.9	-167.6	140.7	0	0	111.9	N494 A499 N500	N494-E496 VanDerWaalsContact C-N 3.28Å; N494-E496 PolarHBondContact O-N 3.49Å; N494-E496 PolarHBondContact OD1-N 3.2Å; N494-E496 VanDerWaalsContact OD1-N 3.12Å; E496-A499 PolarHBondContact O-N 2.92Å; E496-N500 VanDerWaalsContact O-CG 3.3Å; E496-N500 PolarHBondContact O-N 2.94Å; E496-N500 PolarHBondContact O-ND2 2.99Å
497	E	63	Low	52.5	Low	114 Å²	114	94.3 Å²	94.3	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-47.1	175.8	-169.3	176.5	174.2	0	0	110.8	N494 A499 N500 D501	N494-E497 HydrophobicContact CB-CB 3.92Å; N494-E497 PolarHBondContact O-N 2.66Å; E497-A499 VanDerWaalsContact C-N 3.33Å; E497-A499 PolarHBondContact O-N 3.45Å; E497-N500 PolarHBondContact O-N 2.77Å; E497-N500 VanDerWaalsContact O-N 3.16Å; E497-D501 PolarHBondContact O-N 2.98Å
498	Y	61.5	Low	54.1	Low	53 Å²	53	91.9 Å²	91.9	21%	0.208	48%	0.483	C	S	.	.	H	α-helix	trans	-64.2	-35.6	175.5	-162.6	-94.6	0	0	0	112.5	V493 N494 D501 L502 V589	V493-Y498 HydrophobicContact CG1-CD2 4.02Å; V493-Y498 HydrophobicContact CG1-CG 4.26Å; N494-Y498 PolarHBondContact O-N 3.49Å; N494-Y498 VanDerWaalsContact O-N 3.08Å; Y498-D501 PolarHBondContact O-N 3.36Å; Y498-L502 HydrophobicContact CD1-CD1 3.56Å; Y498-L502 HydrophobicContact CD1-CG 4.1Å; Y498-L502 HydrophobicContact CE1-CD1 3.57Å; Y498-L502 HydrophobicContact CE1-CD2 4.34Å; Y498-L502 HydrophobicContact CE1-CG 3.97Å; Y498-L502 WeakPolarHBondContact O-CB 3.34Å; Y498-L502 WeakPolarHBondContact O-CG 3.47Å; Y498-L502 PolarHBondContact O-N 2.92Å; Y498-V589 HydrophobicContact CD1-CG1 3.4Å; Y498-V589 HydrophobicContact CE1-CG1 3.32Å; Y498-V589 HydrophobicContact CG-CG1 4.13Å
499	A	60.8	Low	55.6	Low	9 Å²	9	87.9 Å²	87.9	7%	0.074	46%	0.455	C	S	.	.	H	α-helix	trans	-67.4	-33.2	174	0	0	0	0	0	112.9	P495 E496 E497 K503 L593	P495-A499 WeakPolarHBondContact O-CB 3.24Å; P495-A499 PolarHBondContact O-N 2.87Å; E496-A499 PolarHBondContact O-N 2.92Å; E497-A499 VanDerWaalsContact C-N 3.33Å; E497-A499 PolarHBondContact O-N 3.45Å; A499-K503 WeakPolarHBondContact O-CG 3.24Å; A499-K503 PolarHBondContact O-N 2.87Å; A499-K503 VanDerWaalsContact O-N 3.1Å; A499-L593 HydrophobicContact CB-CD2 4.09Å
500	N	66.8	Low	57.1	Low	94 Å²	94	80.2 Å²	80.2	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-72.1	-38.8	174.2	-71.5	-30.8	0	0	0	111.9	E496 E497 L502 K503 A504	E496-N500 VanDerWaalsContact O-CG 3.3Å; E496-N500 PolarHBondContact O-N 2.94Å; E496-N500 PolarHBondContact O-ND2 2.99Å; E497-N500 PolarHBondContact O-N 2.77Å; E497-N500 VanDerWaalsContact O-N 3.16Å; N500-L502 VanDerWaalsContact C-N 3.35Å; N500-L502 PolarHBondContact O-N 3.35Å; N500-K503 WeakPolarHBondContact O-CB 3.41Å; N500-K503 PolarHBondContact O-N 3.17Å; N500-K503 VanDerWaalsContact O-N 3.15Å; N500-A504 PolarHBondContact O-N 2.81Å
501	D	62.8	Low	58.6	Low	51 Å²	51	77 Å²	77	27%	0.273	41%	0.413	S	S	.	.	H	α-helix	trans	-65	-37.6	173.5	-81.1	8.2	0	0	0	112.2	E497 Y498 K503 A504 M505 R576	E497-D501 PolarHBondContact O-N 2.98Å; Y498-D501 PolarHBondContact O-N 3.36Å; D501-K503 VanDerWaalsContact C-N 3.34Å; D501-K503 PolarHBondContact O-N 3.42Å; D501-A504 PolarHBondContact O-N 3.19Å; D501-M505 PolarHBondContact O-N 3.42Å; D501-R576 IonicContact OD1-CZ 3.53Å; D501-R576 IonicContact OD1-NE 3.6Å; D501-R576 IonicContact OD1-NH1 2.74Å; D501-R576 PolarHBondContact OD1-NH1 3.21Å; D501-R576 IonicContact OD1-NH2 2.82Å; D501-R576 PolarHBondContact OD1-NH2 2.91Å; D501-R576 IonicContact OD2-CZ 3.38Å; D501-R576 IonicContact OD2-NE 3.36Å; D501-R576 PolarHBondContact OD2-NE 3.29Å; D501-R576 IonicContact OD2-NH2 3.24Å; D501-R576 PolarHBondContact OD2-NH2 2.97Å
502	L	59.7	Low	59.4	Low	6 Å²	6	73.1 Å²	73.1	3%	0.031	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-33.9	170.9	-75.4	165.9	0	0	0	113	Y498 N500 M505 L506 L593 L601	Y498-L502 HydrophobicContact CD1-CD1 3.56Å; Y498-L502 HydrophobicContact CD1-CG 4.1Å; Y498-L502 HydrophobicContact CE1-CD1 3.57Å; Y498-L502 HydrophobicContact CE1-CD2 4.34Å; Y498-L502 HydrophobicContact CE1-CG 3.97Å; Y498-L502 WeakPolarHBondContact O-CB 3.34Å; Y498-L502 WeakPolarHBondContact O-CG 3.47Å; Y498-L502 PolarHBondContact O-N 2.92Å; N500-L502 VanDerWaalsContact C-N 3.35Å; N500-L502 PolarHBondContact O-N 3.35Å; L502-M505 HydrophobicContact CD2-SD 4.29Å; L502-M505 WeakPolarHBondContact O-CB 3.46Å; L502-M505 PolarHBondContact O-N 3.31Å; L502-L506 WeakPolarHBondContact O-CG 3.32Å; L502-L506 PolarHBondContact O-N 3.5Å; L502-L593 HydrophobicContact CD1-CD1 3.68Å; L502-L593 HydrophobicContact CD1-CD2 3.61Å; L502-L593 HydrophobicContact CD1-CG 4.27Å; L502-L601 HydrophobicContact CD1-CD1 4.06Å; L502-L601 HydrophobicContact CD2-CD1 4.16Å; L502-L601 HydrophobicContact CD2-CD2 4.12Å
503	K	64.5	Low	60.3	Low	97 Å²	97	66 Å²	66	42%	0.422	36%	0.359	S	S	.	.	H	α-helix	trans	-68.5	-40.6	172.7	-74.9	170.5	-179.5	174.3	0	111.9	A499 N500 D501 M505 L506 C507	A499-K503 WeakPolarHBondContact O-CG 3.24Å; A499-K503 PolarHBondContact O-N 2.87Å; A499-K503 VanDerWaalsContact O-N 3.1Å; N500-K503 WeakPolarHBondContact O-CB 3.41Å; N500-K503 PolarHBondContact O-N 3.17Å; N500-K503 VanDerWaalsContact O-N 3.15Å; D501-K503 VanDerWaalsContact C-N 3.34Å; D501-K503 PolarHBondContact O-N 3.42Å; K503-M505 VanDerWaalsContact C-N 3.31Å; K503-M505 PolarHBondContact O-N 3.49Å; K503-L506 WeakPolarHBondContact O-CB 3.39Å; K503-L506 PolarHBondContact O-N 2.98Å; K503-C507 PolarHBondContact O-N 2.93Å
504	A	65	Low	60.9	Low	62 Å²	62	65.7 Å²	65.7	51%	0.512	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-41.2	172.5	0	0	0	0	0	111.6	N500 D501 C507 G508	N500-A504 PolarHBondContact O-N 2.81Å; D501-A504 PolarHBondContact O-N 3.19Å; A504-C507 PolarHBondContact O-N 3.46Å; A504-G508 PolarHBondContact O-N 2.78Å; A504-G508 VanDerWaalsContact O-N 3.09Å
505	M	62.9	Low	60.9	Low	29 Å²	29	67.5 Å²	67.5	14%	0.143	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-46	171.6	-179.4	-177.6	173.6	0	0	111.9	D501 L502 K503 C507 G508 L509 I578 P579	D501-M505 PolarHBondContact O-N 3.42Å; L502-M505 HydrophobicContact CD2-SD 4.29Å; L502-M505 WeakPolarHBondContact O-CB 3.46Å; L502-M505 PolarHBondContact O-N 3.31Å; K503-M505 VanDerWaalsContact C-N 3.31Å; K503-M505 PolarHBondContact O-N 3.49Å; M505-C507 VanDerWaalsContact C-N 3.32Å; M505-C507 PolarHBondContact O-N 3.24Å; M505-G508 PolarHBondContact O-N 2.91Å; M505-G508 VanDerWaalsContact O-N 3.13Å; M505-L509 HydrophobicContact CE-CD1 4.19Å; M505-L509 HydrophobicContact CG-CD1 4.32Å; M505-L509 HydrophobicContact CG-CG 4.36Å; M505-L509 WeakPolarHBondContact O-CB 3.24Å; M505-L509 WeakPolarHBondContact O-CG 3.49Å; M505-L509 PolarHBondContact O-N 2.98Å; M505-I578 HydrophobicContact CE-CG2 3.82Å; M505-I578 HydrophobicContact CG-CG2 4.23Å; M505-I578 HydrophobicContact SD-CG2 4Å; M505-P579 HydrophobicContact CE-CB 4.32Å; M505-P579 WeakPolarHBondContact CE-O 3.49Å
506	L	59.8	Low	60.9	Low	10 Å²	10	65.4 Å²	65.4	5%	0.052	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-36.9	176.3	-79.6	163.8	0	0	0	113.1	L502 K503 L509 N510 E600 L601 E604	L502-L506 WeakPolarHBondContact O-CG 3.32Å; L502-L506 PolarHBondContact O-N 3.5Å; K503-L506 WeakPolarHBondContact O-CB 3.39Å; K503-L506 PolarHBondContact O-N 2.98Å; L506-L509 PolarHBondContact O-N 2.96Å; L506-N510 PolarHBondContact O-N 2.99Å; L506-N510 PolarHBondContact O-ND2 2.81Å; L506-E600 HydrophobicContact CD1-CB 4.42Å; L506-E600 HydrophobicContact CD1-CG 3.96Å; L506-E600 HydrophobicContact CD2-CG 4.29Å; L506-L601 HydrophobicContact CD1-CD2 4.02Å; L506-L601 HydrophobicContact CD1-CG 4.21Å; L506-L601 HydrophobicContact CD2-CD2 4.01Å; L506-L601 HydrophobicContact CG-CD2 3.91Å; L506-E604 HydrophobicContact CD2-CB 3.92Å; L506-E604 HydrophobicContact CD2-CG 3.88Å
507	C	64	Low	60.8	Low	85 Å²	85	61.2 Å²	61.2	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-63.8	-47.1	170.9	-78.2	0	0	0	0	112.1	K503 A504 M505 L509 N510 L511	K503-C507 PolarHBondContact O-N 2.93Å; A504-C507 PolarHBondContact O-N 3.46Å; M505-C507 VanDerWaalsContact C-N 3.32Å; M505-C507 PolarHBondContact O-N 3.24Å; C507-L509 VanDerWaalsContact C-N 3.3Å; C507-L509 PolarHBondContact O-N 3.09Å; C507-N510 PolarHBondContact O-N 3.31Å; C507-L511 WeakPolarHBondContact O-CG 3.41Å; C507-L511 PolarHBondContact O-N 3.42Å
508	G	61.7	Low	60.5	Low	38 Å²	38	63.2 Å²	63.2	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-38	175.9	0	0	0	0	0	113.2	A504 M505 L511 F512	A504-G508 PolarHBondContact O-N 2.78Å; A504-G508 VanDerWaalsContact O-N 3.09Å; M505-G508 PolarHBondContact O-N 2.91Å; M505-G508 VanDerWaalsContact O-N 3.13Å; G508-L511 PolarHBondContact O-N 2.89Å; G508-F512 PolarHBondContact O-N 3.38Å
509	L	61.6	Low	60	Low	35 Å²	35	69 Å²	69	18%	0.183	36%	0.361	C	S	.	.	H	α-helix	trans	-66	-42.2	175.1	-73.9	-174.4	0	0	0	112.8	M505 L506 C507 F512 K513 I608	M505-L509 HydrophobicContact CE-CD1 4.19Å; M505-L509 HydrophobicContact CG-CD1 4.32Å; M505-L509 HydrophobicContact CG-CG 4.36Å; M505-L509 WeakPolarHBondContact O-CB 3.24Å; M505-L509 WeakPolarHBondContact O-CG 3.49Å; M505-L509 PolarHBondContact O-N 2.98Å; L506-L509 PolarHBondContact O-N 2.96Å; C507-L509 VanDerWaalsContact C-N 3.3Å; C507-L509 PolarHBondContact O-N 3.09Å; L509-F512 PolarHBondContact O-N 3.13Å; L509-K513 VanDerWaalsContact O-CB 3.29Å; L509-K513 WeakPolarHBondContact O-CB 3.22Å; L509-K513 PolarHBondContact O-N 3.13Å; L509-I608 HydrophobicContact CB-CD1 3.94Å; L509-I608 HydrophobicContact CD1-CD1 3.74Å; L509-I608 HydrophobicContact CD2-CD1 3.81Å; L509-I608 HydrophobicContact CG-CD1 4.02Å
510	N	59.9	Low	59.1	Low	51 Å²	51	72.6 Å²	72.6	27%	0.273	38%	0.379	S	S	.	.	H	α-helix	trans	-67.6	-36.5	174.3	-90.4	-59.6	0	0	0	112.3	L506 C507 K513 N514	L506-N510 PolarHBondContact O-N 2.99Å; L506-N510 PolarHBondContact O-ND2 2.81Å; C507-N510 PolarHBondContact O-N 3.31Å; N510-K513 PolarHBondContact O-N 3.34Å; N510-K513 PolarHBondContact OD1-NZ 2.98Å; N510-N514 WeakPolarHBondContact O-CB 3.29Å; N510-N514 VanDerWaalsContact O-CG 3.25Å; N510-N514 PolarHBondContact O-N 2.85Å; N510-N514 PolarHBondContact O-OD1 3.49Å
511	L	61.8	Low	57.9	Low	122 Å²	122	73.7 Å²	73.7	64%	0.639	39%	0.391	S	S	*	.	H	α-helix	trans	-60.7	-44.6	172	-74.7	166.5	0	0	0	111.8	C507 G508 N514 Y515	C507-L511 WeakPolarHBondContact O-CG 3.41Å; C507-L511 PolarHBondContact O-N 3.42Å; G508-L511 PolarHBondContact O-N 2.89Å; L511-N514 PolarHBondContact O-N 3.4Å; L511-Y515 WeakPolarHBondContact O-CB 3.43Å; L511-Y515 PolarHBondContact O-N 2.97Å
512	F	53	Low	56.8	Low	104 Å²	104	77 Å²	77	46%	0.456	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-43.1	176.1	-179.6	-101.4	0	0	0	112.6	G508 L509 Y515 C516	G508-F512 PolarHBondContact O-N 3.38Å; L509-F512 PolarHBondContact O-N 3.13Å; F512-Y515 PolarHBondContact O-N 2.84Å; F512-C516 PolarHBondContact O-N 3.24Å; F512-C516 PolarHBondContact O-SG 3.38Å
513	K	57.1	Low	55.8	Low	46 Å²	46	82.4 Å²	82.4	20%	0.2	44%	0.436	C	S	.	.	H	α-helix	trans	-61.2	-40.7	175.7	172.4	-178.4	162.1	-158.1	0	112.5	L509 N510 S517 E604	L509-K513 VanDerWaalsContact O-CB 3.29Å; L509-K513 WeakPolarHBondContact O-CB 3.22Å; L509-K513 PolarHBondContact O-N 3.13Å; N510-K513 PolarHBondContact O-N 3.34Å; N510-K513 PolarHBondContact OD1-NZ 2.98Å; K513-S517 WeakPolarHBondContact O-CB 3.32Å; K513-S517 PolarHBondContact O-N 3.5Å; K513-S517 PolarHBondContact O-OG 3.34Å; K513-E604 WeakPolarHBondContact CD-OE2 3.31Å; K513-E604 WeakPolarHBondContact CE-OE2 3.49Å; K513-E604 IonicContact NZ-OE1 3.44Å; K513-E604 PolarHBondContact NZ-OE1 3.01Å; K513-E604 IonicContact NZ-OE2 3.68Å; K513-E604 PolarHBondContact NZ-OE2 3.39Å
514	N	63.1	Low	54.7	Low	82 Å²	82	86.5 Å²	86.5	44%	0.439	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-49.2	173.3	-69.7	-2.8	0	0	0	111	N510 L511 C516 S517 E518	N510-N514 WeakPolarHBondContact O-CB 3.29Å; N510-N514 VanDerWaalsContact O-CG 3.25Å; N510-N514 PolarHBondContact O-N 2.85Å; N510-N514 PolarHBondContact O-OD1 3.49Å; L511-N514 PolarHBondContact O-N 3.4Å; N514-C516 VanDerWaalsContact C-N 3.31Å; N514-C516 PolarHBondContact O-N 2.99Å; N514-S517 CarbonylContact O-C 3.25Å; N514-S517 WeakPolarHBondContact O-CA 3.36Å; N514-S517 WeakPolarHBondContact O-CB 3.46Å; N514-S517 PolarHBondContact O-N 3.42Å; N514-E518 WeakPolarHBondContact O-CG 3.22Å; N514-E518 PolarHBondContact O-N 3.21Å
515	Y	59.4	Low	53.3	Low	112 Å²	112	87.4 Å²	87.4	44%	0.439	46%	0.457	S	S	.	.	H	α-helix	trans	-54.7	-42.6	176.4	171.4	-92.5	0	0	0	113.1	L511 F512 S517 R519	L511-Y515 WeakPolarHBondContact O-CB 3.43Å; L511-Y515 PolarHBondContact O-N 2.97Å; F512-Y515 PolarHBondContact O-N 2.84Å; Y515-S517 VanDerWaalsContact C-N 3.28Å; Y515-S517 PolarHBondContact O-N 3.02Å; Y515-R519 HydrophobicContact CE2-CG 4.47Å; Y515-R519 VanDerWaalsContact CE2-NE 3.29Å; Y515-R519 PolarHBondContact O-N 3.29Å; Y515-R519 PolarHBondContact OH-NH1 3.25Å; Y515-R519 VanDerWaalsContact OH-NH1 3.17Å
516	C	51	Low	52	Low	24 Å²	24	94.4 Å²	94.4	16%	0.162	49%	0.489	C	S	.	.	H	α-helix	trans	-66.4	-27	173.8	-73.6	0	0	0	0	113.7	F512 N514 T611	F512-C516 PolarHBondContact O-N 3.24Å; F512-C516 PolarHBondContact O-SG 3.38Å; N514-C516 VanDerWaalsContact C-N 3.31Å; N514-C516 PolarHBondContact O-N 2.99Å; C516-T611 HydrophobicContact CB-CG2 4.3Å
517	S	56.8	Low	50.8	Low	62 Å²	62	103.7 Å²	103.7	43%	0.434	53%	0.532	S	S	.	.	H	α-helix	trans	-86.1	-31.9	-179.8	-55.5	0	0	0	0	112.6	K513 N514 Y515	K513-S517 WeakPolarHBondContact O-CB 3.32Å; K513-S517 PolarHBondContact O-N 3.5Å; K513-S517 PolarHBondContact O-OG 3.34Å; N514-S517 CarbonylContact O-C 3.25Å; N514-S517 WeakPolarHBondContact O-CA 3.36Å; N514-S517 WeakPolarHBondContact O-CB 3.46Å; N514-S517 PolarHBondContact O-N 3.42Å; Y515-S517 VanDerWaalsContact C-N 3.28Å; Y515-S517 PolarHBondContact O-N 3.02Å
518	E	57.5	Low	49.4	Very low	155 Å²	155	104.2 Å²	104.2	72%	0.724	54%	0.543	S	S	*	.	H	α-helix	trans	-75.6	-37.8	177.9	-72.5	170.4	-171.8	0	0	112.5	N514	N514-E518 WeakPolarHBondContact O-CG 3.22Å; N514-E518 PolarHBondContact O-N 3.21Å
519	R	50.9	Low	47.8	Very low	176 Å²	176	106.6 Å²	106.6	66%	0.664	56%	0.559	S	S	*	*	S	Bend	trans	-84.1	-4.5	-176.2	-72.9	-164.5	171.5	-157.2	-1.3	115.5	Y515	Y515-R519 HydrophobicContact CE2-CG 4.47Å; Y515-R519 VanDerWaalsContact CE2-NE 3.29Å; Y515-R519 PolarHBondContact O-N 3.29Å; Y515-R519 PolarHBondContact OH-NH1 3.25Å; Y515-R519 VanDerWaalsContact OH-NH1 3.17Å
520	L	42	Very low	46.4	Very low	84 Å²	84	111.9 Å²	111.9	44%	0.44	59%	0.592	S	S	.	*	S	Bend	trans	-135.2	100.9	-178	-68.4	174.4	0	0	0	110	I522	L520-I522 PolarHBondContact O-N 2.95Å
521	P	40.7	Very low	45.1	Very low	117 Å²	117	119 Å²	119	76%	0.76	62%	0.62	S	S	*	*			trans	-60	125.5	-178.8	23.6	-32.7	0	0	0	110.9	D523	P521-D523 PolarHBondContact O-N 3.46Å; P521-D523 VanDerWaalsContact O-N 3.09Å
522	I	40.5	Very low	43.7	Very low	119 Å²	119	119.5 Å²	119.5	61%	0.61	63%	0.631	S	S	*	*			trans	-77.6	93.4	169.4	-55.8	176.1	0	0	0	106.9	L520 K524	L520-I522 PolarHBondContact O-N 2.95Å; I522-K524 HydrophobicContact CG2-CG 4.14Å; I522-K524 PolarHBondContact O-N 3.34Å
523	D	39.5	Very low	42.7	Very low	120 Å²	120	120.3 Å²	120.3	64%	0.642	65%	0.65	S	S	*	*			trans	-60.9	124.4	163	-163.6	-30.3	0	0	0	108.5	P521 S525	P521-D523 PolarHBondContact O-N 3.46Å; P521-D523 VanDerWaalsContact O-N 3.09Å; D523-S525 VanDerWaalsContact CG-OG 3.29Å; D523-S525 VanDerWaalsContact OD1-CB 3.23Å; D523-S525 WeakPolarHBondContact OD1-CB 3.39Å; D523-S525 PolarHBondContact OD1-N 3.39Å; D523-S525 PolarHBondContact OD1-OG 2.93Å
524	K	40.8	Very low	41.5	Very low	183 Å²	183	122.6 Å²	122.6	80%	0.796	68%	0.677	S	S	*	*			trans	-102.8	14.6	-174.9	-68.4	-175.1	178.2	179	0	112.7	I522	I522-K524 HydrophobicContact CG2-CG 4.14Å; I522-K524 PolarHBondContact O-N 3.34Å
525	S	35.4	Very low	40.1	Very low	81 Å²	81	128 Å²	128	57%	0.566	70%	0.697	S	S	*	*			trans	-80	-19.5	-172.3	54.4	0	0	0	0	115.8	D523	D523-S525 VanDerWaalsContact CG-OG 3.29Å; D523-S525 VanDerWaalsContact OD1-CB 3.23Å; D523-S525 WeakPolarHBondContact OD1-CB 3.39Å; D523-S525 PolarHBondContact OD1-N 3.39Å; D523-S525 PolarHBondContact OD1-OG 2.93Å
526	E	36.5	Very low	38.9	Very low	177 Å²	177	129.4 Å²	129.4	83%	0.827	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-86.1	-11.3	-169.1	-64.5	-165.9	127	0	0	116.5	A528	E526-A528 PolarHBondContact O-N 3.29Å
527	E	34.3	Very low	38	Very low	205 Å²	205	136 Å²	136	96%	0.958	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-73.8	5.7	-175.9	-95.7	-172.6	154.4	0	0	115.2
528	A	33.2	Very low	37.2	Very low	96 Å²	96	138.1 Å²	138.1	79%	0.793	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-119.6	19.1	-168.4	0	0	0	0	0	116.2	E526	E526-A528 PolarHBondContact O-N 3.29Å
529	A	30.1	Very low	36.1	Very low	88 Å²	88	136.6 Å²	136.6	73%	0.727	76%	0.763	S	S	*	*			trans	-123.7	34.7	-164.8	0	0	0	0	0	117.6
530	V	30.3	Very low	35.3	Very low	145 Å²	145	132.5 Å²	132.5	88%	0.879	76%	0.762	S	S	*	*			trans	-131	80.8	174.8	-168.4	0	0	0	0	113.7
531	K	34.5	Very low	35	Very low	200 Å²	200	136.1 Å²	136.1	87%	0.87	78%	0.776	S	S	*	*			trans	-145.9	128.7	157.4	-80.8	-170	178.9	174.6	0	110.8
532	P	31.1	Very low	34.7	Very low	133 Å²	133	135.7 Å²	135.7	86%	0.864	77%	0.772	S	S	*	*			trans	-90.9	118.7	176.2	33.3	-31.2	0	0	0	112.3
533	S	32.9	Very low	34.4	Very low	122 Å²	122	137.5 Å²	137.5	85%	0.853	78%	0.782	S	S	*	*			trans	-149.2	137.8	160.7	58.4	0	0	0	0	109.7
534	A	32.2	Very low	34.3	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	78%	0.783	S	S	*	*			trans	-103.6	163.9	-163.9	0	0	0	0	0	114.8
535	K	32.6	Very low	34	Very low	196 Å²	196	134.6 Å²	134.6	85%	0.852	78%	0.782	S	S	*	*			trans	98.8	127.1	158.1	-58.8	-176.9	174.8	-178.2	0	119.2
536	T	34	Very low	34.1	Very low	142 Å²	142	135.6 Å²	135.6	87%	0.871	79%	0.79	S	S	*	*			trans	72.7	109.1	150.1	30.5	0	0	0	0	121.4
537	L	32.3	Very low	34.1	Very low	161 Å²	161	133.7 Å²	133.7	84%	0.843	79%	0.79	S	S	*	*			trans	-97.7	-175.6	149.7	-81.1	166.1	0	0	0	108.9
538	P	39.9	Very low	34.1	Very low	108 Å²	108	129.9 Å²	129.9	70%	0.701	79%	0.786	S	S	*	*			cis	-131.7	-172.8	-17.4	20.6	4.4	0	0	0	113.8
539	V	34.8	Very low	34.2	Very low	123 Å²	123	129.8 Å²	129.8	75%	0.745	79%	0.785	S	S	*	*				145.3	126.6	123.6	169.6	0	0	0	0	114.7
540	S	34.1	Very low	34.4	Very low	90 Å²	90	133.7 Å²	133.7	63%	0.629	79%	0.794	S	S	*	*			trans	53	165.3	160.4	81	0	0	0	0	120
541	E	36.6	Very low	34.6	Very low	160 Å²	160	131.7 Å²	131.7	75%	0.748	79%	0.786	S	S	*	*			cis	-154.9	143.1	11	-147.1	143.1	-107.3	0	0	114.8
542	T	33.4	Very low	34.5	Very low	108 Å²	108	129.5 Å²	129.5	66%	0.663	78%	0.783	S	S	*	*			trans	39	131.4	149.7	57	0	0	0	0	126.4
543	L	35	Very low	34.6	Very low	156 Å²	156	128.2 Å²	128.2	82%	0.817	77%	0.773	S	S	*	*				63.7	142	127.5	-63.5	170	0	0	0	120.3
544	S	36.1	Very low	34.3	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	78%	0.776	S	S	*	*			cis	-172	160.5	29.5	40.9	0	0	0	0	115.9
545	N	34.5	Very low	34.3	Very low	147 Å²	147	130 Å²	130	79%	0.786	78%	0.777	S	S	*	*			trans	73.6	154.3	137.4	-70.7	-0.3	0	0	0	126.5
546	S	39	Very low	34.1	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	78%	0.778	S	S	*	*			trans	70.8	114.7	167.6	62	0	0	0	0	117.7
547	T	34.7	Very low	34.2	Very low	136 Å²	136	130 Å²	130	83%	0.834	77%	0.77	S	S	*	*			cis	96	107.3	34.2	63.6	0	0	0	0	115.3
548	S	35.2	Very low	34.3	Very low	126 Å²	126	130.6 Å²	130.6	88%	0.881	77%	0.766	S	S	*	*				-170	164.9	118	47.3	0	0	0	0	109.5
549	A	34.4	Very low	33.7	Very low	94 Å²	94	130.7 Å²	130.7	78%	0.777	77%	0.77	S	S	*	*			trans	-142.7	158.3	175.9	0	0	0	0	0	108.5
550	D	35.8	Very low	33.7	Very low	169 Å²	169	131.7 Å²	131.7	90%	0.904	78%	0.776	S	S	*	*			trans	-151.3	162.2	156.5	-109.7	-38.2	0	0	0	110.5
551	S	32.7	Very low	33.4	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	79%	0.786	S	S	*	*			trans	-146.3	172.4	-167.4	64.2	0	0	0	0	111.8
552	L	34.1	Very low	33.2	Very low	154 Å²	154	136.6 Å²	136.6	81%	0.806	79%	0.794	S	S	*	*			trans	160.1	104.3	156.1	-86.2	157.5	0	0	0	108
553	T	31.6	Very low	32.9	Very low	107 Å²	107	140.4 Å²	140.4	66%	0.656	80%	0.804	S	S	*	*				54	107.2	99.8	63.1	0	0	0	0	114.7
554	L	28.5	Very low	32.7	Very low	175 Å²	175	145 Å²	145	92%	0.916	81%	0.811	S	S	*	*				74.3	127.6	79.3	-85.3	171.2	0	0	0	115
555	G	31.8	Very low	32.2	Very low	76 Å²	76	145.8 Å²	145.8	78%	0.784	82%	0.816	S	S	*	*			trans	-177.3	120.9	170.8	0	0	0	0	0	111.1
556	E	28.6	Very low	32.1	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	82%	0.819	S	S	*	*			trans	-104.4	155.9	171.5	-58.7	174.9	112.4	0	0	109.2
557	E	35.4	Very low	31.5	Very low	151 Å²	151	149.5 Å²	149.5	71%	0.706	83%	0.827	S	S	*	*				-178.4	131.5	126	-101.1	-161.5	174.7	0	0	115
558	K	33.4	Very low	31.2	Very low	174 Å²	174	150.4 Å²	150.4	76%	0.757	83%	0.827	S	S	*	*			trans	68.4	168.3	140.1	-67.6	176.2	-168.6	145.6	0	121.3
559	S	28.3	Very low	30.7	Very low	110 Å²	110	151.5 Å²	151.5	77%	0.769	82%	0.821	S	S	*	*			trans	-133.9	165.1	-161	54.4	0	0	0	0	112.1
560	T	34.5	Very low	30.4	Very low	144 Å²	144	153.6 Å²	153.6	88%	0.883	82%	0.824	S	S	*	*			trans	-158.5	144.9	146.3	16.4	0	0	0	0	110
561	D	27.7	Very low	30	Very low	155 Å²	155	153.7 Å²	153.7	83%	0.829	82%	0.819	S	S	*	*			trans	-71.5	155.1	168.7	-68.4	-78.8	0	0	0	112.1
562	E	32.7	Very low	29.6	Very low	197 Å²	197	155.8 Å²	155.8	92%	0.921	83%	0.827	S	S	*	*			trans	-151.9	140.3	131.4	-133.8	175.7	-150	0	0	111.6
563	Q	27.4	Very low	29.2	Very low	189 Å²	189	153.1 Å²	153.1	88%	0.883	82%	0.821	S	S	*	*			trans	-91.7	138.5	-177.6	-61.5	176.6	-52.8	0	0	111.1
564	R	30.1	Very low	29	Very low	253 Å²	253	153.4 Å²	153.4	96%	0.955	83%	0.825	S	S	*	*			trans	-149.6	131.3	149.4	-141.1	168.5	-172.8	165.3	3	113.7
565	S	25.4	Very low	29	Very low	110 Å²	110	155 Å²	155	77%	0.769	82%	0.824	S	S	*	*			trans	-92.6	137.9	177.1	52.9	0	0	0	0	111.7
566	T	31.7	Very low	29.1	Very low	140 Å²	140	159 Å²	159	86%	0.859	82%	0.816	S	S	*	*			trans	-138.5	129.9	152.3	40.3	0	0	0	0	108
567	E	26.6	Very low	29.5	Very low	189 Å²	189	157.2 Å²	157.2	88%	0.883	80%	0.802	S	S	*	*			trans	-72.2	140.3	172.4	-60	155.3	123.1	0	0	108.9
568	D	30.3	Very low	29.7	Very low	155 Å²	155	155.4 Å²	155.4	83%	0.829	80%	0.796	S	S	*	*			trans	-161.5	155.7	142.8	-119	-33.5	0	0	0	114.2
569	I	24.6	Very low	30.4	Very low	149 Å²	149	147.5 Å²	147.5	76%	0.764	76%	0.763	S	S	*	*			trans	-71.6	135.2	-165.6	-63	149.2	0	0	0	113.3
570	V	28.2	Very low	31.5	Very low	138 Å²	138	149.7 Å²	149.7	84%	0.836	76%	0.761	S	S	*	*			trans	-138.9	135.4	159.8	-175.6	0	0	0	0	110.6
571	E	25.5	Very low	32.7	Very low	171 Å²	171	144.7 Å²	144.7	80%	0.799	73%	0.732	S	S	*	*			trans	-75.4	149.1	-175.5	-64.8	173.6	101.7	0	0	114.3	S573	E571-S573 PolarHBondContact O-N 2.74Å
572	V	24.5	Very low	34.4	Very low	147 Å²	147	139.2 Å²	139.2	89%	0.891	70%	0.702	S	S	*	*			trans	-78.4	88.5	172.3	-176.2	0	0	0	0	109.8
573	S	26	Very low	35.8	Very low	97 Å²	97	135.1 Å²	135.1	68%	0.678	69%	0.687	S	S	*	*			trans	-57.7	138.2	171.8	-67.2	0	0	0	0	111.6	E571	E571-S573 PolarHBondContact O-N 2.74Å
574	P	26.9	Very low	37.3	Very low	114 Å²	114	127.7 Å²	127.7	74%	0.74	65%	0.653	S	S	*	*			trans	-64	144.6	179.5	26.9	-34.6	0	0	0	111.2	R576	P574-R576 PolarHBondContact O-N 3.21Å
575	K	29	Very low	38.9	Very low	207 Å²	207	116.3 Å²	116.3	90%	0.9	61%	0.611	S	S	*	*			trans	-62.6	93.2	179.9	-70	177.5	179.5	172.5	0	110.8	Y577	K575-Y577 PolarHBondContact O-N 3.24Å
576	R	34.3	Very low	40.7	Very low	161 Å²	161	114 Å²	114	61%	0.608	59%	0.593	S	S	*	*			trans	-55.8	125.9	179.3	-81.8	178.3	160.4	157.1	-3.6	111.5	D501 P574	D501-R576 IonicContact OD1-CZ 3.53Å; D501-R576 IonicContact OD1-NE 3.6Å; D501-R576 IonicContact OD1-NH1 2.74Å; D501-R576 PolarHBondContact OD1-NH1 3.21Å; D501-R576 IonicContact OD1-NH2 2.82Å; D501-R576 PolarHBondContact OD1-NH2 2.91Å; D501-R576 IonicContact OD2-CZ 3.38Å; D501-R576 IonicContact OD2-NE 3.36Å; D501-R576 PolarHBondContact OD2-NE 3.29Å; D501-R576 IonicContact OD2-NH2 3.24Å; D501-R576 PolarHBondContact OD2-NH2 2.97Å; P574-R576 PolarHBondContact O-N 3.21Å
577	Y	36.8	Very low	42.4	Very low	151 Å²	151	112 Å²	112	59%	0.592	58%	0.575	S	S	*	*			trans	-72.8	123.5	174.2	176.1	-99.9	0	0	0	110.2	K575 P579	K575-Y577 PolarHBondContact O-N 3.24Å; Y577-P579 HydrophobicContact CE1-CG 4.37Å
578	I	40.6	Very low	44	Very low	113 Å²	113	108.1 Å²	108.1	58%	0.579	56%	0.561	S	S	*	*			trans	-105.9	115.3	178.3	-58.2	177.4	0	0	0	108.8	M505	M505-I578 HydrophobicContact CE-CG2 3.82Å; M505-I578 HydrophobicContact CG-CG2 4.23Å; M505-I578 HydrophobicContact SD-CG2 4Å
579	P	46.3	Very low	45.5	Very low	8 Å²	8	101.6 Å²	101.6	5%	0.052	53%	0.527	C	S	.	.			trans	-54.3	137.6	172.6	-28.1	36.5	0	0	0	112.6	M505 Y577 D584 I585	M505-P579 HydrophobicContact CE-CB 4.32Å; M505-P579 WeakPolarHBondContact CE-O 3.49Å; Y577-P579 HydrophobicContact CE1-CG 4.37Å; P579-D584 HydrophobicContact CB-CB 3.9Å; P579-I585 HydrophobicContact CB-CG1 4.22Å; P579-I585 HydrophobicContact CG-CG1 4.22Å
580	Q	51.9	Low	47.7	Very low	155 Å²	155	96 Å²	96	72%	0.724	50%	0.496	S	S	*	.	S	Bend	trans	-101.7	-23.5	177.1	-65.3	-168.6	-5.7	0	0	112.7	D584	Q580-D584 PolarHBondContact N-OD2 3.2Å
581	S	61.1	Low	49.7	Very low	40 Å²	40	93.4 Å²	93.4	28%	0.28	48%	0.48	S	S	.	.	S	Bend	trans	-123.9	164.5	165.7	-167.9	0	0	0	0	111.5	D583 D584	S581-D583 WeakPolarHBondContact CB-OD2 3.29Å; S581-D583 PolarHBondContact O-N 3.02Å; S581-D583 PolarHBondContact OG-N 3.24Å; S581-D583 PolarHBondContact OG-OD2 2.86Å; S581-D584 PolarHBondContact N-OD2 3.09Å; S581-D584 WeakPolarHBondContact O-CB 3.41Å; S581-D584 PolarHBondContact O-N 3.43Å
582	L	62.5	Low	51.7	Low	40 Å²	40	88.3 Å²	88.3	21%	0.209	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-55.6	-30.2	159.8	-70	173.1	0	0	0	110.9	I382 D584 I585 W590 M605	I382-L582 HydrophobicContact CG2-CD1 4.09Å; L582-D584 PolarHBondContact O-N 2.87Å; L582-I585 HydrophobicContact CD2-CD1 4.23Å; L582-I585 PolarHBondContact O-N 3.12Å; L582-I585 VanDerWaalsContact O-N 3.17Å; L582-W590 HydrophobicContact CD2-CH2 3.82Å; L582-W590 HydrophobicContact CD2-CZ3 3.87Å; L582-M605 HydrophobicContact CD2-SD 3.61Å; L582-M605 HydrophobicContact CG-SD 3.71Å
583	D	61	Low	53.8	Low	111 Å²	111	81.4 Å²	81.4	59%	0.594	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-69.8	-3.9	176	-45	-77.2	0	0	0	114.3	S581	S581-D583 WeakPolarHBondContact CB-OD2 3.29Å; S581-D583 PolarHBondContact O-N 3.02Å; S581-D583 PolarHBondContact OG-N 3.24Å; S581-D583 PolarHBondContact OG-OD2 2.86Å
584	D	59	Low	56	Low	32 Å²	32	79.4 Å²	79.4	17%	0.171	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-97.2	-8.9	172.8	-65.6	-46	0	0	0	112.9	K259 P579 Q580 S581 L582	K259-D584 WeakPolarHBondContact CE-OD1 3.15Å; K259-D584 IonicContact NZ-OD1 2.76Å; K259-D584 PolarHBondContact NZ-OD1 3.24Å; P579-D584 HydrophobicContact CB-CB 3.9Å; Q580-D584 PolarHBondContact N-OD2 3.2Å; S581-D584 PolarHBondContact N-OD2 3.09Å; S581-D584 WeakPolarHBondContact O-CB 3.41Å; S581-D584 PolarHBondContact O-N 3.43Å; L582-D584 PolarHBondContact O-N 2.87Å
585	I	65.6	Low	58	Low	14 Å²	14	78.1 Å²	78.1	7%	0.072	40%	0.398	C	S	.	.	S	Bend	trans	-82.8	125.5	173	-53	176.6	0	0	0	108.4	P579 L582 M587 V589 W590	P579-I585 HydrophobicContact CB-CG1 4.22Å; P579-I585 HydrophobicContact CG-CG1 4.22Å; L582-I585 HydrophobicContact CD2-CD1 4.23Å; L582-I585 PolarHBondContact O-N 3.12Å; L582-I585 VanDerWaalsContact O-N 3.17Å; I585-M587 PolarHBondContact O-N 3.33Å; I585-V589 HydrophobicContact CG2-CG1 4.44Å; I585-W590 HydrophobicContact CD1-CE3 3.88Å; I585-W590 HydrophobicContact CD1-CZ3 4.01Å; I585-W590 HydrophobicContact CG2-CB 4.09Å; I585-W590 HydrophobicContact CG2-CE3 4.38Å
586	P	61.6	Low	59.9	Low	61 Å²	61	73.1 Å²	73.1	40%	0.396	38%	0.381	S	S	.	.			trans	-56.3	138.1	174.2	-25.5	35.5	0	0	0	111.8	D588 V589 W590	P586-D588 VanDerWaalsContact C-N 3.33Å; P586-D588 WeakPolarHBondContact CB-OD1 3.47Å; P586-D588 PolarHBondContact O-N 3.41Å; P586-V589 HydrophobicContact CB-CB 4.25Å; P586-V589 HydrophobicContact CB-CG2 4.01Å; P586-V589 HydrophobicContact CG-CG2 4.35Å; P586-V589 PolarHBondContact O-N 3.35Å; P586-V589 VanDerWaalsContact O-N 3.16Å; P586-W590 PolarHBondContact O-N 3.08Å
587	M	67.5	Low	61.6	Low	98 Å²	98	65.5 Å²	65.5	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-35.6	-169.7	-176.6	57.9	64.9	0	0	113	S384 I585 W590 T591	S384-M587 WeakPolarHBondContact O-CE 3.4Å; I585-M587 PolarHBondContact O-N 3.33Å; M587-W590 PolarHBondContact O-N 3.29Å; M587-T591 WeakPolarHBondContact O-CG2 3.4Å; M587-T591 PolarHBondContact O-N 2.99Å; M587-T591 PolarHBondContact O-OG1 3.16Å
588	D	60.7	Low	63.3	Low	109 Å²	109	61.4 Å²	61.4	58%	0.583	34%	0.336	S	S	*	.	H	α-helix	trans	-57.4	-52	170.3	53.6	-39.9	0	0	0	111.5	P586 W590 T591 S592	P586-D588 VanDerWaalsContact C-N 3.33Å; P586-D588 WeakPolarHBondContact CB-OD1 3.47Å; P586-D588 PolarHBondContact O-N 3.41Å; D588-W590 PolarHBondContact O-N 2.97Å; D588-T591 WeakPolarHBondContact CA-OG1 3.39Å; D588-T591 PolarHBondContact O-N 3.33Å; D588-T591 PolarHBondContact O-OG1 3.22Å; D588-S592 PolarHBondContact O-N 2.97Å; D588-S592 VanDerWaalsContact O-N 3.1Å
589	V	62.9	Low	64.8	Low	18 Å²	18	64.7 Å²	64.7	11%	0.109	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-41.3	176.1	-178.8	0	0	0	0	111.3	Y498 I585 P586 T591 S592 L593	Y498-V589 HydrophobicContact CD1-CG1 3.4Å; Y498-V589 HydrophobicContact CE1-CG1 3.32Å; Y498-V589 HydrophobicContact CG-CG1 4.13Å; I585-V589 HydrophobicContact CG2-CG1 4.44Å; P586-V589 HydrophobicContact CB-CB 4.25Å; P586-V589 HydrophobicContact CB-CG2 4.01Å; P586-V589 HydrophobicContact CG-CG2 4.35Å; P586-V589 PolarHBondContact O-N 3.35Å; P586-V589 VanDerWaalsContact O-N 3.16Å; V589-T591 VanDerWaalsContact C-N 3.25Å; V589-T591 PolarHBondContact O-N 3Å; V589-S592 PolarHBondContact O-N 3.33Å; V589-S592 PolarHBondContact O-OG 3.33Å; V589-L593 WeakPolarHBondContact O-CG 2.76Å; V589-L593 PolarHBondContact O-N 3.23Å
590	W	70.3	Confident	66	Low	30 Å²	30	68.5 Å²	68.5	11%	0.114	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-33.2	172.9	-177.5	-110.4	0	0	0	112.4	L582 I585 P586 M587 D588 L593 R598 L601 K602	L582-W590 HydrophobicContact CD2-CH2 3.82Å; L582-W590 HydrophobicContact CD2-CZ3 3.87Å; I585-W590 HydrophobicContact CD1-CE3 3.88Å; I585-W590 HydrophobicContact CD1-CZ3 4.01Å; I585-W590 HydrophobicContact CG2-CB 4.09Å; I585-W590 HydrophobicContact CG2-CE3 4.38Å; P586-W590 PolarHBondContact O-N 3.08Å; M587-W590 PolarHBondContact O-N 3.29Å; D588-W590 PolarHBondContact O-N 2.97Å; W590-L593 HydrophobicContact CE3-CD1 3.98Å; W590-L593 HydrophobicContact CZ3-CD1 4.37Å; W590-R598 HydrophobicContact CD2-CG 4.36Å; W590-R598 HydrophobicContact CE3-CG 4.26Å; W590-R598 HydrophobicContact CH2-CB 4.07Å; W590-R598 HydrophobicContact CH2-CG 3.99Å; W590-R598 HydrophobicContact CZ2-CB 4.24Å; W590-R598 HydrophobicContact CZ2-CG 4.09Å; W590-R598 HydrophobicContact CZ3-CG 4.08Å; W590-R598 VanDerWaalsContact O-CD 3.22Å; W590-R598 WeakPolarHBondContact O-CD 3.14Å; W590-R598 VanDerWaalsContact O-CZ 3.31Å; W590-R598 PolarHBondContact O-NE 3.33Å; W590-R598 PolarHBondContact O-NH1 3.28Å; W590-R598 VanDerWaalsContact O-NH1 3.12Å; W590-L601 HydrophobicContact CH2-CB 4.35Å; W590-L601 HydrophobicContact CZ3-CB 4.21Å; W590-L601 HydrophobicContact CZ3-CD1 3.98Å; W590-K602 HydrophobicContact CH2-CG 4Å; W590-K602 HydrophobicContact CZ2-CD 4.48Å; W590-K602 HydrophobicContact CZ2-CG 4.05Å
591	T	70.2	Confident	66.8	Low	84 Å²	84	61.2 Å²	61.2	52%	0.515	32%	0.324	S	S	.	.	H	α-helix	trans	-75.8	-25.8	176.5	53.7	0	0	0	0	114.6	M587 D588 V589 R598	M587-T591 WeakPolarHBondContact O-CG2 3.4Å; M587-T591 PolarHBondContact O-N 2.99Å; M587-T591 PolarHBondContact O-OG1 3.16Å; D588-T591 WeakPolarHBondContact CA-OG1 3.39Å; D588-T591 PolarHBondContact O-N 3.33Å; D588-T591 PolarHBondContact O-OG1 3.22Å; V589-T591 VanDerWaalsContact C-N 3.25Å; V589-T591 PolarHBondContact O-N 3Å; T591-R598 PolarHBondContact O-NH1 3.23Å; T591-R598 PolarHBondContact O-NH2 2.77Å
592	S	67.3	Low	67.2	Low	64 Å²	64	61.2 Å²	61.2	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-83.4	-25.3	-179.9	65	0	0	0	0	114.4	D588 V589	D588-S592 PolarHBondContact O-N 2.97Å; D588-S592 VanDerWaalsContact O-N 3.1Å; V589-S592 PolarHBondContact O-N 3.33Å; V589-S592 PolarHBondContact O-OG 3.33Å
593	L	68.5	Low	67.7	Low	3 Å²	3	61.6 Å²	61.6	2%	0.016	33%	0.325	C	S	.	.	S	Bend	trans	-56.8	144.7	-179.4	-73.9	169.4	0	0	0	114	A499 L502 V589 W590 V597 R598 L601	A499-L593 HydrophobicContact CB-CD2 4.09Å; L502-L593 HydrophobicContact CD1-CD1 3.68Å; L502-L593 HydrophobicContact CD1-CD2 3.61Å; L502-L593 HydrophobicContact CD1-CG 4.27Å; V589-L593 WeakPolarHBondContact O-CG 2.76Å; V589-L593 PolarHBondContact O-N 3.23Å; W590-L593 HydrophobicContact CE3-CD1 3.98Å; W590-L593 HydrophobicContact CZ3-CD1 4.37Å; L593-V597 HydrophobicContact CD2-CG1 4.23Å; L593-R598 HydrophobicContact CB-CG 3.79Å; L593-R598 HydrophobicContact CD1-CG 4.44Å; L593-R598 PolarHBondContact O-NE 3.48Å; L593-R598 PolarHBondContact O-NH2 3.01Å; L593-L601 HydrophobicContact CD1-CD1 4.14Å
594	P	71.6	Confident	68.1	Low	55 Å²	55	57.5 Å²	57.5	36%	0.357	30%	0.303	S	S	.	.			trans	-54.5	146.9	172.3	-27.5	36	0	0	0	113.5	D596 V597 R598	P594-D596 VanDerWaalsContact C-N 3.27Å; P594-D596 WeakPolarHBondContact CB-OD1 3.35Å; P594-D596 PolarHBondContact O-N 2.95Å; P594-V597 HydrophobicContact CB-CB 4.37Å; P594-V597 HydrophobicContact CB-CG2 4.08Å; P594-V597 HydrophobicContact CG-CG2 4.21Å; P594-V597 PolarHBondContact O-N 3.15Å; P594-R598 PolarHBondContact O-N 3.44Å
595	P	69	Low	68.5	Low	86 Å²	86	57.6 Å²	57.6	56%	0.558	30%	0.303	S	S	*	.	H	α-helix	trans	-63.4	-30.4	-175.3	-23.2	34.7	0	0	0	114.5	W599	P595-W599 WeakPolarHBondContact O-CB 3.46Å; P595-W599 PolarHBondContact O-N 3.16Å
596	D	70	Confident	68.6	Low	102 Å²	102	63.4 Å²	63.4	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-67	-53.8	173.2	51.5	-63.7	0	0	0	111.5	P594 R598 W599 E600	P594-D596 VanDerWaalsContact C-N 3.27Å; P594-D596 WeakPolarHBondContact CB-OD1 3.35Å; P594-D596 PolarHBondContact O-N 2.95Å; D596-R598 VanDerWaalsContact C-N 3.26Å; D596-R598 PolarHBondContact O-N 3.12Å; D596-W599 WeakPolarHBondContact O-CA 3.2Å; D596-W599 WeakPolarHBondContact O-CB 3.46Å; D596-W599 PolarHBondContact O-N 2.97Å; D596-E600 PolarHBondContact O-N 3.31Å
597	V	68.8	Low	68.8	Low	2 Å²	2	62.6 Å²	62.6	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-56.2	-41	174.3	177.9	0	0	0	0	111.3	L593 P594 W599 E600 L601	L593-V597 HydrophobicContact CD2-CG1 4.23Å; P594-V597 HydrophobicContact CB-CB 4.37Å; P594-V597 HydrophobicContact CB-CG2 4.08Å; P594-V597 HydrophobicContact CG-CG2 4.21Å; P594-V597 PolarHBondContact O-N 3.15Å; V597-W599 PolarHBondContact O-N 3.15Å; V597-E600 PolarHBondContact O-N 3.1Å; V597-L601 HydrophobicContact CG1-CD1 4.01Å; V597-L601 WeakPolarHBondContact O-CB 3.38Å; V597-L601 WeakPolarHBondContact O-CG 3.22Å; V597-L601 PolarHBondContact O-N 3.21Å
598	R	72.7	Confident	68.5	Low	65 Å²	65	59.3 Å²	59.3	25%	0.245	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-39.4	172.8	-78.6	-172.4	-103.3	-163.6	-5.6	113	W590 T591 L593 P594 D596 K602	W590-R598 HydrophobicContact CD2-CG 4.36Å; W590-R598 HydrophobicContact CE3-CG 4.26Å; W590-R598 HydrophobicContact CH2-CB 4.07Å; W590-R598 HydrophobicContact CH2-CG 3.99Å; W590-R598 HydrophobicContact CZ2-CB 4.24Å; W590-R598 HydrophobicContact CZ2-CG 4.09Å; W590-R598 HydrophobicContact CZ3-CG 4.08Å; W590-R598 VanDerWaalsContact O-CD 3.22Å; W590-R598 WeakPolarHBondContact O-CD 3.14Å; W590-R598 VanDerWaalsContact O-CZ 3.31Å; W590-R598 PolarHBondContact O-NE 3.33Å; W590-R598 PolarHBondContact O-NH1 3.28Å; W590-R598 VanDerWaalsContact O-NH1 3.12Å; T591-R598 PolarHBondContact O-NH1 3.23Å; T591-R598 PolarHBondContact O-NH2 2.77Å; L593-R598 HydrophobicContact CB-CG 3.79Å; L593-R598 HydrophobicContact CD1-CG 4.44Å; L593-R598 PolarHBondContact O-NE 3.48Å; L593-R598 PolarHBondContact O-NH2 3.01Å; P594-R598 PolarHBondContact O-N 3.44Å; D596-R598 VanDerWaalsContact C-N 3.26Å; D596-R598 PolarHBondContact O-N 3.12Å; R598-K602 WeakPolarHBondContact O-CB 3.22Å; R598-K602 WeakPolarHBondContact O-CG 3.28Å; R598-K602 PolarHBondContact O-N 3.37Å
599	W	72.7	Confident	68.5	Low	181 Å²	181	57 Å²	57	69%	0.686	30%	0.3	S	S	*	.	H	α-helix	trans	-67.3	-41.6	177.8	-176.6	93.5	0	0	0	111.5	P595 D596 V597 K602 S603	P595-W599 WeakPolarHBondContact O-CB 3.46Å; P595-W599 PolarHBondContact O-N 3.16Å; D596-W599 WeakPolarHBondContact O-CA 3.2Å; D596-W599 WeakPolarHBondContact O-CB 3.46Å; D596-W599 PolarHBondContact O-N 2.97Å; V597-W599 PolarHBondContact O-N 3.15Å; W599-K602 PolarHBondContact O-N 3.03Å; W599-S603 WeakPolarHBondContact O-CB 3.5Å; W599-S603 PolarHBondContact O-N 3.03Å
600	E	71.3	Confident	68.6	Low	89 Å²	89	62.2 Å²	62.2	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-47.3	178.6	-166.1	167.8	-138.6	0	0	111.7	L506 D596 V597 K602 S603 E604	L506-E600 HydrophobicContact CD1-CB 4.42Å; L506-E600 HydrophobicContact CD1-CG 3.96Å; L506-E600 HydrophobicContact CD2-CG 4.29Å; D596-E600 PolarHBondContact O-N 3.31Å; V597-E600 PolarHBondContact O-N 3.1Å; E600-K602 PolarHBondContact O-N 3.43Å; E600-S603 WeakPolarHBondContact O-CB 3.49Å; E600-S603 PolarHBondContact O-N 3.01Å; E600-S603 VanDerWaalsContact O-N 3.14Å; E600-E604 PolarHBondContact O-N 2.65Å
601	L	67.9	Low	68.1	Low	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-45.3	172.5	-72	165.5	0	0	0	112.5	L502 L506 W590 L593 V597 S603 M605	L502-L601 HydrophobicContact CD1-CD1 4.06Å; L502-L601 HydrophobicContact CD2-CD1 4.16Å; L502-L601 HydrophobicContact CD2-CD2 4.12Å; L506-L601 HydrophobicContact CD1-CD2 4.02Å; L506-L601 HydrophobicContact CD1-CG 4.21Å; L506-L601 HydrophobicContact CD2-CD2 4.01Å; L506-L601 HydrophobicContact CG-CD2 3.91Å; W590-L601 HydrophobicContact CH2-CB 4.35Å; W590-L601 HydrophobicContact CZ3-CB 4.21Å; W590-L601 HydrophobicContact CZ3-CD1 3.98Å; L593-L601 HydrophobicContact CD1-CD1 4.14Å; V597-L601 HydrophobicContact CG1-CD1 4.01Å; V597-L601 WeakPolarHBondContact O-CB 3.38Å; V597-L601 WeakPolarHBondContact O-CG 3.22Å; V597-L601 PolarHBondContact O-N 3.21Å; L601-S603 VanDerWaalsContact C-N 3.28Å; L601-S603 PolarHBondContact O-N 2.89Å; L601-M605 WeakPolarHBondContact O-CB 3.2Å; L601-M605 WeakPolarHBondContact O-CG 3.36Å; L601-M605 PolarHBondContact O-N 3.07Å; L601-M605 VanDerWaalsContact O-N 3.13Å
602	K	69.2	Low	67.4	Low	40 Å²	40	61.2 Å²	61.2	17%	0.174	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-39.3	174.6	-77.5	-178.5	167.2	-159.8	0	111.7	D379 I382 W590 R598 W599 E600 K606	D379-K602 IonicContact OD2-NZ 2.7Å; D379-K602 PolarHBondContact OD2-NZ 3.5Å; I382-K602 HydrophobicContact CD1-CB 4.09Å; I382-K602 HydrophobicContact CD1-CD 3.45Å; I382-K602 VanDerWaalsContact CD1-CD 3.45Å; I382-K602 HydrophobicContact CD1-CG 3.68Å; W590-K602 HydrophobicContact CH2-CG 4Å; W590-K602 HydrophobicContact CZ2-CD 4.48Å; W590-K602 HydrophobicContact CZ2-CG 4.05Å; R598-K602 WeakPolarHBondContact O-CB 3.22Å; R598-K602 WeakPolarHBondContact O-CG 3.28Å; R598-K602 PolarHBondContact O-N 3.37Å; W599-K602 PolarHBondContact O-N 3.03Å; E600-K602 PolarHBondContact O-N 3.43Å; K602-K606 WeakPolarHBondContact O-CB 3.29Å; K602-K606 PolarHBondContact O-N 3.43Å
603	S	73	Confident	67	Low	48 Å²	48	64.1 Å²	64.1	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-54.3	-178.6	-170.3	0	0	0	0	111.6	W599 E600 L601 K606 S607	W599-S603 WeakPolarHBondContact O-CB 3.5Å; W599-S603 PolarHBondContact O-N 3.03Å; E600-S603 WeakPolarHBondContact O-CB 3.49Å; E600-S603 PolarHBondContact O-N 3.01Å; E600-S603 VanDerWaalsContact O-N 3.14Å; L601-S603 VanDerWaalsContact C-N 3.28Å; L601-S603 PolarHBondContact O-N 2.89Å; S603-K606 PolarHBondContact O-N 3.12Å; S603-S607 PolarHBondContact O-N 3.46Å
604	E	70.7	Confident	66.3	Low	25 Å²	25	68.6 Å²	68.6	12%	0.117	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-43.7	-175.5	-73.3	-55.7	151.5	0	0	112.7	L506 K513 E600 K606 S607 I608	L506-E604 HydrophobicContact CD2-CB 3.92Å; L506-E604 HydrophobicContact CD2-CG 3.88Å; K513-E604 WeakPolarHBondContact CD-OE2 3.31Å; K513-E604 WeakPolarHBondContact CE-OE2 3.49Å; K513-E604 IonicContact NZ-OE1 3.44Å; K513-E604 PolarHBondContact NZ-OE1 3.01Å; K513-E604 IonicContact NZ-OE2 3.68Å; K513-E604 PolarHBondContact NZ-OE2 3.39Å; E600-E604 PolarHBondContact O-N 2.65Å; E604-K606 PolarHBondContact O-N 2.98Å; E604-S607 CarbonylContact O-C 3.54Å; E604-S607 WeakPolarHBondContact O-CA 3.39Å; E604-S607 WeakPolarHBondContact O-CB 3.35Å; E604-S607 PolarHBondContact O-N 3.27Å; E604-I608 HydrophobicContact CB-CD1 4.46Å; E604-I608 VanDerWaalsContact O-CD1 3.32Å; E604-I608 WeakPolarHBondContact O-CD1 3.44Å; E604-I608 VanDerWaalsContact O-CG1 3.31Å; E604-I608 WeakPolarHBondContact O-CG1 3.36Å; E604-I608 PolarHBondContact O-N 3.46Å
605	M	67.2	Low	65.4	Low	34 Å²	34	67.3 Å²	67.3	17%	0.167	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-30	177.7	-63.1	-164.3	81.7	0	0	112.4	L582 L601 S609	L582-M605 HydrophobicContact CD2-SD 3.61Å; L582-M605 HydrophobicContact CG-SD 3.71Å; L601-M605 WeakPolarHBondContact O-CB 3.2Å; L601-M605 WeakPolarHBondContact O-CG 3.36Å; L601-M605 PolarHBondContact O-N 3.07Å; L601-M605 VanDerWaalsContact O-N 3.13Å; M605-S609 VanDerWaalsContact O-CB 3.22Å; M605-S609 WeakPolarHBondContact O-CB 3.43Å; M605-S609 PolarHBondContact O-N 3.26Å
606	K	66.9	Low	64.6	Low	137 Å²	137	69.4 Å²	69.4	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-71.6	-37.1	172.3	-169.1	172.8	-175.3	174.1	0	111.8	K602 S603 E604 K610	K602-K606 WeakPolarHBondContact O-CB 3.29Å; K602-K606 PolarHBondContact O-N 3.43Å; S603-K606 PolarHBondContact O-N 3.12Å; E604-K606 PolarHBondContact O-N 2.98Å; K606-K610 PolarHBondContact O-N 2.99Å
607	S	65.6	Low	63.7	Low	43 Å²	43	68.7 Å²	68.7	30%	0.301	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-51.5	173.2	-158.1	0	0	0	0	111.6	S603 E604 S609 K610 T611	S603-S607 PolarHBondContact O-N 3.46Å; E604-S607 CarbonylContact O-C 3.54Å; E604-S607 WeakPolarHBondContact O-CA 3.39Å; E604-S607 WeakPolarHBondContact O-CB 3.35Å; E604-S607 PolarHBondContact O-N 3.27Å; S607-S609 VanDerWaalsContact C-N 3.35Å; S607-S609 PolarHBondContact O-N 3.4Å; S607-K610 WeakPolarHBondContact O-CA 3.34Å; S607-K610 VanDerWaalsContact O-CB 3.29Å; S607-K610 WeakPolarHBondContact O-CB 3.47Å; S607-K610 PolarHBondContact O-N 2.6Å; S607-T611 PolarHBondContact O-N 3.25Å; S607-T611 PolarHBondContact O-OG1 3.48Å
608	I	61.6	Low	62.7	Low	30 Å²	30	74.6 Å²	74.6	15%	0.154	36%	0.36	C	S	.	.	H	α-helix	trans	-61.2	-42.8	178.4	-62.4	151.5	0	0	0	111.1	L509 E604 K610 T611 V612	L509-I608 HydrophobicContact CB-CD1 3.94Å; L509-I608 HydrophobicContact CD1-CD1 3.74Å; L509-I608 HydrophobicContact CD2-CD1 3.81Å; L509-I608 HydrophobicContact CG-CD1 4.02Å; E604-I608 HydrophobicContact CB-CD1 4.46Å; E604-I608 VanDerWaalsContact O-CD1 3.32Å; E604-I608 WeakPolarHBondContact O-CD1 3.44Å; E604-I608 VanDerWaalsContact O-CG1 3.31Å; E604-I608 WeakPolarHBondContact O-CG1 3.36Å; E604-I608 PolarHBondContact O-N 3.46Å; I608-K610 PolarHBondContact O-N 3.11Å; I608-T611 PolarHBondContact O-N 2.95Å; I608-V612 HydrophobicContact CG2-CG2 3.87Å; I608-V612 WeakPolarHBondContact O-CB 3.47Å; I608-V612 VanDerWaalsContact O-CG2 3.31Å; I608-V612 WeakPolarHBondContact O-CG2 3.33Å; I608-V612 PolarHBondContact O-N 2.88Å
609	S	60.6	Low	61.4	Low	60 Å²	60	76.8 Å²	76.8	42%	0.42	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-21.4	176.3	-160.4	0	0	0	0	113	M605 S607 K613	M605-S609 VanDerWaalsContact O-CB 3.22Å; M605-S609 WeakPolarHBondContact O-CB 3.43Å; M605-S609 PolarHBondContact O-N 3.26Å; S607-S609 VanDerWaalsContact C-N 3.35Å; S607-S609 PolarHBondContact O-N 3.4Å; S609-K613 WeakPolarHBondContact O-CD 3.22Å; S609-K613 VanDerWaalsContact O-CG 3.25Å; S609-K613 WeakPolarHBondContact O-CG 3.23Å; S609-K613 PolarHBondContact O-NZ 3Å; S609-K613 PolarHBondContact OG-NZ 2.96Å
610	K	64.8	Low	60.1	Low	128 Å²	128	74.5 Å²	74.5	56%	0.557	37%	0.373	S	S	*	.	H	α-helix	trans	-79	-58.5	169.1	-179	-172.3	167.4	-174.1	0	110	K606 S607 I608 V612 K613 E614	K606-K610 PolarHBondContact O-N 2.99Å; S607-K610 WeakPolarHBondContact O-CA 3.34Å; S607-K610 VanDerWaalsContact O-CB 3.29Å; S607-K610 WeakPolarHBondContact O-CB 3.47Å; S607-K610 PolarHBondContact O-N 2.6Å; I608-K610 PolarHBondContact O-N 3.11Å; K610-V612 VanDerWaalsContact C-N 3.35Å; K610-V612 PolarHBondContact O-N 3.39Å; K610-K613 WeakPolarHBondContact O-CB 3.46Å; K610-K613 PolarHBondContact O-N 3.42Å; K610-E614 VanDerWaalsContact CE-CD 3.43Å; K610-E614 WeakPolarHBondContact CE-OE1 2.99Å; K610-E614 WeakPolarHBondContact CE-OE2 3.4Å; K610-E614 IonicContact NZ-OE1 2.71Å; K610-E614 PolarHBondContact O-N 3.4Å
611	T	60.4	Low	58.7	Low	32 Å²	32	77.8 Å²	77.8	20%	0.196	38%	0.383	C	S	.	.	H	α-helix	trans	-54.1	-45.9	-178.1	-53.6	0	0	0	0	112.5	C516 S607 I608 K613 E614 C615	C516-T611 HydrophobicContact CB-CG2 4.3Å; S607-T611 PolarHBondContact O-N 3.25Å; S607-T611 PolarHBondContact O-OG1 3.48Å; I608-T611 PolarHBondContact O-N 2.95Å; T611-K613 VanDerWaalsContact C-N 3.3Å; T611-K613 PolarHBondContact O-N 3.05Å; T611-E614 PolarHBondContact O-N 3.14Å; T611-C615 WeakPolarHBondContact O-CB 3.25Å; T611-C615 PolarHBondContact O-N 2.92Å; T611-C615 PolarHBondContact O-SG 2.74Å
612	V	55.8	Low	57.4	Low	61 Å²	61	80.2 Å²	80.2	37%	0.37	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-32.3	179.5	172.5	0	0	0	0	112.3	I608 K610 K616	I608-V612 HydrophobicContact CG2-CG2 3.87Å; I608-V612 WeakPolarHBondContact O-CB 3.47Å; I608-V612 VanDerWaalsContact O-CG2 3.31Å; I608-V612 WeakPolarHBondContact O-CG2 3.33Å; I608-V612 PolarHBondContact O-N 2.88Å; K610-V612 VanDerWaalsContact C-N 3.35Å; K610-V612 PolarHBondContact O-N 3.39Å; V612-K616 WeakPolarHBondContact O-CB 3.48Å; V612-K616 PolarHBondContact O-N 3.34Å
613	K	58.4	Low	56	Low	124 Å²	124	82.3 Å²	82.3	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-71	-42.4	173.4	-71.5	-177.9	-167.4	91.8	0	111.1	S609 K610 T611 K616 V617	S609-K613 WeakPolarHBondContact O-CD 3.22Å; S609-K613 VanDerWaalsContact O-CG 3.25Å; S609-K613 WeakPolarHBondContact O-CG 3.23Å; S609-K613 PolarHBondContact O-NZ 3Å; S609-K613 PolarHBondContact OG-NZ 2.96Å; K610-K613 WeakPolarHBondContact O-CB 3.46Å; K610-K613 PolarHBondContact O-N 3.42Å; T611-K613 VanDerWaalsContact C-N 3.3Å; T611-K613 PolarHBondContact O-N 3.05Å; K613-K616 PolarHBondContact O-N 2.71Å; K613-V617 WeakPolarHBondContact O-CG2 3.46Å; K613-V617 PolarHBondContact O-N 2.63Å
614	E	55.1	Low	54.4	Low	97 Å²	97	87.8 Å²	87.8	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-42	178.5	-69	169.5	161.2	0	0	111.3	K610 T611 K618	K610-E614 VanDerWaalsContact CE-CD 3.43Å; K610-E614 WeakPolarHBondContact CE-OE1 2.99Å; K610-E614 WeakPolarHBondContact CE-OE2 3.4Å; K610-E614 IonicContact NZ-OE1 2.71Å; K610-E614 PolarHBondContact O-N 3.4Å; T611-E614 PolarHBondContact O-N 3.14Å; E614-K618 PolarHBondContact O-N 3.39Å
615	C	52.4	Low	52.9	Low	29 Å²	29	91.1 Å²	91.1	20%	0.196	45%	0.445	C	S	.	.	H	α-helix	trans	-62.3	-44.7	171.6	-67.6	0	0	0	0	112.5	T611 K618 L619	T611-C615 WeakPolarHBondContact O-CB 3.25Å; T611-C615 PolarHBondContact O-N 2.92Å; T611-C615 PolarHBondContact O-SG 2.74Å; C615-K618 PolarHBondContact O-N 3.38Å; C615-L619 WeakPolarHBondContact O-CG 3.39Å; C615-L619 PolarHBondContact O-N 2.84Å
616	K	52.7	Low	51.6	Low	129 Å²	129	93.5 Å²	93.5	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-62.1	-46.3	177.2	-86	-159.8	170.2	-159.9	0	112.6	V612 K613 K618 L619 E620	V612-K616 WeakPolarHBondContact O-CB 3.48Å; V612-K616 PolarHBondContact O-N 3.34Å; K613-K616 PolarHBondContact O-N 2.71Å; K616-K618 VanDerWaalsContact C-N 3.31Å; K616-K618 PolarHBondContact O-N 2.97Å; K616-L619 PolarHBondContact O-N 3.33Å; K616-E620 WeakPolarHBondContact O-CB 3.43Å; K616-E620 WeakPolarHBondContact O-CG 3.44Å; K616-E620 PolarHBondContact O-N 3.05Å
617	V	49.9	Very low	50.2	Low	88 Å²	88	95 Å²	95	53%	0.533	46%	0.463	S	S	.	.	H	α-helix	trans	-60	-42.4	177.6	170.8	0	0	0	0	110.8	K613 Y621	K613-V617 WeakPolarHBondContact O-CG2 3.46Å; K613-V617 PolarHBondContact O-N 2.63Å; V617-Y621 WeakPolarHBondContact O-CB 3.5Å; V617-Y621 PolarHBondContact O-N 3.36Å
618	K	48.1	Very low	49	Very low	126 Å²	126	95.5 Å²	95.5	55%	0.548	47%	0.467	S	S	.	.	H	α-helix	trans	-65.6	-40.8	176.4	-75.8	-168.8	173.3	-167.6	0	113.3	E614 C615 K616 Y621 S622	E614-K618 PolarHBondContact O-N 3.39Å; C615-K618 PolarHBondContact O-N 3.38Å; K616-K618 VanDerWaalsContact C-N 3.31Å; K616-K618 PolarHBondContact O-N 2.97Å; K618-Y621 WeakPolarHBondContact O-CB 3.1Å; K618-Y621 PolarHBondContact O-N 3.04Å; K618-S622 PolarHBondContact O-N 2.6Å; K618-S622 PolarHBondContact O-OG 3.3Å
619	L	45.9	Very low	48	Very low	110 Å²	110	97.5 Å²	97.5	58%	0.576	48%	0.484	S	S	*	.	H	α-helix	trans	-66.5	-43.4	177.5	-73.7	168	0	0	0	112.3	C615 K616 Y621 S622 D623	C615-L619 WeakPolarHBondContact O-CG 3.39Å; C615-L619 PolarHBondContact O-N 2.84Å; K616-L619 PolarHBondContact O-N 3.33Å; L619-Y621 PolarHBondContact O-N 2.69Å; L619-S622 WeakPolarHBondContact CA-OG 3.17Å; L619-S622 PolarHBondContact O-N 2.7Å; L619-S622 PolarHBondContact O-OG 3.15Å; L619-D623 PolarHBondContact O-N 3.42Å
620	E	44.7	Very low	47	Very low	133 Å²	133	101 Å²	101	62%	0.621	50%	0.497	S	S	*	.	H	α-helix	trans	-62.6	-32.9	174.4	-70.9	172.4	-173.4	0	0	111.3	K616 Y624	K616-E620 WeakPolarHBondContact O-CB 3.43Å; K616-E620 WeakPolarHBondContact O-CG 3.44Å; K616-E620 PolarHBondContact O-N 3.05Å; E620-Y624 WeakPolarHBondContact O-CB 3.39Å; E620-Y624 PolarHBondContact O-N 3.16Å; E620-Y624 VanDerWaalsContact O-N 3.15Å
621	Y	41.2	Very low	45.8	Very low	158 Å²	158	100.6 Å²	100.6	62%	0.62	51%	0.506	S	S	*	.	H	α-helix	trans	-72	-39.7	173.1	-124.7	-96.9	0	0	0	113.7	V617 K618 L619 Y624 I625	V617-Y621 WeakPolarHBondContact O-CB 3.5Å; V617-Y621 PolarHBondContact O-N 3.36Å; K618-Y621 WeakPolarHBondContact O-CB 3.1Å; K618-Y621 PolarHBondContact O-N 3.04Å; L619-Y621 PolarHBondContact O-N 2.69Å; Y621-Y624 WeakPolarHBondContact O-CB 3.19Å; Y621-Y624 PolarHBondContact O-N 2.82Å; Y621-I625 HydrophobicContact CD1-CD1 4.16Å; Y621-I625 WeakPolarHBondContact O-CG1 3.49Å; Y621-I625 PolarHBondContact O-N 2.79Å
622	S	41.5	Very low	44.5	Very low	52 Å²	52	106.1 Å²	106.1	36%	0.364	56%	0.555	S	S	.	*	H	α-helix	trans	-67.9	-41.4	177.1	54	0	0	0	0	111.9	K618 L619 Y624 I625 V626	K618-S622 PolarHBondContact O-N 2.6Å; K618-S622 PolarHBondContact O-OG 3.3Å; L619-S622 WeakPolarHBondContact CA-OG 3.17Å; L619-S622 PolarHBondContact O-N 2.7Å; L619-S622 PolarHBondContact O-OG 3.15Å; S622-Y624 VanDerWaalsContact C-N 3.27Å; S622-Y624 PolarHBondContact O-N 3Å; S622-I625 PolarHBondContact O-N 3.32Å; S622-V626 WeakPolarHBondContact O-CB 3.38Å; S622-V626 WeakPolarHBondContact O-CG2 3.34Å; S622-V626 PolarHBondContact O-N 2.9Å
623	D	38.9	Very low	44	Very low	84 Å²	84	108.4 Å²	108.4	45%	0.449	57%	0.565	S	S	.	*	H	α-helix	trans	-61.2	-37	173.2	-100.9	27.4	0	0	0	111.7	L619 R627	L619-D623 PolarHBondContact O-N 3.42Å; D623-R627 WeakPolarHBondContact O-CB 3.47Å; D623-R627 WeakPolarHBondContact O-CD 3.36Å; D623-R627 WeakPolarHBondContact O-CG 3.39Å; D623-R627 PolarHBondContact O-N 2.93Å; D623-R627 IonicContact OD2-CZ 3.12Å; D623-R627 IonicContact OD2-NH2 2.71Å; D623-R627 PolarHBondContact OD2-NH2 3.48Å; D623-R627 VanDerWaalsContact OD2-NH2 3.13Å
624	Y	39.8	Very low	43.2	Very low	164 Å²	164	107.6 Å²	107.6	64%	0.643	57%	0.566	S	S	*	*	H	α-helix	trans	-64.2	-49.4	175.5	-174.3	-93.6	0	0	0	111.8	E620 Y621 S622 R627 S628	E620-Y624 WeakPolarHBondContact O-CB 3.39Å; E620-Y624 PolarHBondContact O-N 3.16Å; E620-Y624 VanDerWaalsContact O-N 3.15Å; Y621-Y624 WeakPolarHBondContact O-CB 3.19Å; Y621-Y624 PolarHBondContact O-N 2.82Å; S622-Y624 VanDerWaalsContact C-N 3.27Å; S622-Y624 PolarHBondContact O-N 3Å; Y624-R627 PolarHBondContact O-N 3.05Å; Y624-S628 PolarHBondContact O-N 3.42Å; Y624-S628 PolarHBondContact O-OG 2.83Å
625	I	39.6	Very low	42.6	Very low	94 Å²	94	108.2 Å²	108.2	48%	0.482	57%	0.572	S	S	.	*	H	α-helix	trans	-62.4	-45.6	179.9	-69.3	170.6	0	0	0	111.1	Y621 S622 R627 S628 S629	Y621-I625 HydrophobicContact CD1-CD1 4.16Å; Y621-I625 WeakPolarHBondContact O-CG1 3.49Å; Y621-I625 PolarHBondContact O-N 2.79Å; S622-I625 PolarHBondContact O-N 3.32Å; I625-R627 VanDerWaalsContact C-N 3.3Å; I625-R627 PolarHBondContact O-N 3.41Å; I625-S628 WeakPolarHBondContact CA-OG 3.23Å; I625-S628 PolarHBondContact O-N 2.85Å; I625-S628 PolarHBondContact O-OG 2.69Å; I625-S629 WeakPolarHBondContact O-CB 3.14Å; I625-S629 PolarHBondContact O-N 3.14Å; I625-S629 PolarHBondContact O-OG 3.36Å
626	V	40	Very low	42	Very low	85 Å²	85	112.8 Å²	112.8	52%	0.515	59%	0.594	S	S	.	*	H	α-helix	trans	-64.2	-34	178.3	172.5	0	0	0	0	111.7	S622 S629 N630	S622-V626 WeakPolarHBondContact O-CB 3.38Å; S622-V626 WeakPolarHBondContact O-CG2 3.34Å; S622-V626 PolarHBondContact O-N 2.9Å; V626-S629 PolarHBondContact O-OG 3.29Å; V626-N630 PolarHBondContact O-ND2 3.27Å
627	R	36.7	Very low	41.3	Very low	167 Å²	167	111.8 Å²	111.8	63%	0.63	60%	0.596	S	S	*	*	H	α-helix	trans	-73.3	-45.5	174.1	-71	171.3	-162.7	-153	7.9	112	D623 Y624 I625 S629 N630 T631	D623-R627 WeakPolarHBondContact O-CB 3.47Å; D623-R627 WeakPolarHBondContact O-CD 3.36Å; D623-R627 WeakPolarHBondContact O-CG 3.39Å; D623-R627 PolarHBondContact O-N 2.93Å; D623-R627 IonicContact OD2-CZ 3.12Å; D623-R627 IonicContact OD2-NH2 2.71Å; D623-R627 PolarHBondContact OD2-NH2 3.48Å; D623-R627 VanDerWaalsContact OD2-NH2 3.13Å; Y624-R627 PolarHBondContact O-N 3.05Å; I625-R627 VanDerWaalsContact C-N 3.3Å; I625-R627 PolarHBondContact O-N 3.41Å; R627-S629 PolarHBondContact O-N 3.03Å; R627-N630 PolarHBondContact O-N 2.87Å; R627-N630 VanDerWaalsContact O-N 3.11Å; R627-T631 PolarHBondContact O-OG1 2.65Å
628	S	40.7	Very low	40.7	Very low	54 Å²	54	113.4 Å²	113.4	38%	0.378	60%	0.601	S	S	.	*	H	α-helix	trans	-63.6	-28.2	179.4	60.2	0	0	0	0	113.9	Y624 I625 T631	Y624-S628 PolarHBondContact O-N 3.42Å; Y624-S628 PolarHBondContact O-OG 2.83Å; I625-S628 WeakPolarHBondContact CA-OG 3.23Å; I625-S628 PolarHBondContact O-N 2.85Å; I625-S628 PolarHBondContact O-OG 2.69Å; S628-T631 PolarHBondContact O-OG1 3.44Å
629	S	40.6	Very low	40.2	Very low	73 Å²	73	112.5 Å²	112.5	51%	0.51	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	0.2	177.6	50.7	0	0	0	0	114.3	I625 V626 R627	I625-S629 WeakPolarHBondContact O-CB 3.14Å; I625-S629 PolarHBondContact O-N 3.14Å; I625-S629 PolarHBondContact O-OG 3.36Å; V626-S629 PolarHBondContact O-OG 3.29Å; R627-S629 PolarHBondContact O-N 3.03Å
630	N	40.4	Very low	39.8	Very low	132 Å²	132	112.7 Å²	112.7	71%	0.706	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	10.5	167.7	-77.5	-80.7	0	0	0	112.2	V626 R627	V626-N630 PolarHBondContact O-ND2 3.27Å; R627-N630 PolarHBondContact O-N 2.87Å; R627-N630 VanDerWaalsContact O-N 3.11Å
631	T	39.3	Very low	39.4	Very low	120 Å²	120	111 Å²	111	74%	0.736	61%	0.605	S	S	*	*			trans	-131.9	24.6	-179.9	59.8	0	0	0	0	112.8	R627 S628	R627-T631 PolarHBondContact O-OG1 2.65Å; S628-T631 PolarHBondContact O-OG1 3.44Å
632	A	33.4	Very low	39.2	Very low	149 Å²	149	106.7 Å²	106.7	100%	1.231	60%	0.604	S	S	*	*			trans	-144.6	0	177.2	0	0	0	0	0	109.5

Retrieved 632 of 632 residues in 1784 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).