A0A3Q0KRE0_SCHMA Loading...

SAS-6_N domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 688 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	70.4	Confident	88.6	Confident	116 Å²	116	49.6 Å²	49.6	57%	0.571	25%	0.254	S	S	*	.				0	110.2	0	-169.3	159.1	-82.5	0	0	107.7	S4 D21 E23	M1-S4 VanDerWaalsContact SD-CB 3.56Å; M1-D21 HydrophobicContact CE-CB 4.36Å; M1-D21 VanDerWaalsContact CE-CG 3.43Å; M1-D21 WeakPolarHBondContact CE-OD1 3.47Å; M1-D21 VanDerWaalsContact CE-OD2 3.28Å; M1-D21 WeakPolarHBondContact CE-OD2 3.17Å; M1-E23 WeakPolarHBondContact CA-OE1 3.07Å; M1-E23 WeakPolarHBondContact CB-OE1 3.16Å; M1-E23 PolarHBondContact N-OE1 3.07Å
2	F	85.3	Confident	87.7	Confident	93 Å²	93	55.3 Å²	55.3	41%	0.408	28%	0.278	S	S	.	.			trans	-101.8	-43.6	-179.3	167.6	-101.5	0	0	0	110.4	I22 L24 E74 A78	F2-I22 HydrophobicContact CD1-CB 4.49Å; F2-I22 HydrophobicContact CD1-CG2 4.21Å; F2-I22 PolarHBondContact N-O 2.81Å; F2-L24 HydrophobicContact CB-CD1 3.51Å; F2-L24 HydrophobicContact CD1-CD1 3.91Å; F2-L24 HydrophobicContact CD2-CD1 3.9Å; F2-L24 HydrophobicContact CG-CD1 3.51Å; F2-E74 HydrophobicContact CE1-CB 4.19Å; F2-E74 HydrophobicContact CE1-CG 4.39Å; F2-E74 WeakPolarHBondContact CE1-O 3.27Å; F2-E74 HydrophobicContact CZ-CG 4.26Å; F2-A78 HydrophobicContact CE1-CB 3.94Å
3	Y	91.6	Very high	86.8	Confident	43 Å²	43	56.9 Å²	56.9	17%	0.169	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.2	167.3	-172.2	-92.6	0	0	0	109	H7 I22 A78 L81	Y3-H7 AromaticContact CE1-NE2 3.41Å; Y3-H7 WeakPolarHBondContact CE1-NE2 3.41Å; Y3-H7 AromaticContact CZ-NE2 3.67Å; Y3-H7 PolarHBondContact OH-CE1 2.87Å; Y3-H7 VanDerWaalsContact OH-CE1 3.25Å; Y3-H7 PolarHBondContact OH-NE2 3.26Å; Y3-I22 HydrophobicContact CD1-CG1 4.42Å; Y3-I22 HydrophobicContact CG-CD1 4.48Å; Y3-I22 PolarHBondContact N-O 3.15Å; Y3-I22 PolarHBondContact O-N 3.12Å; Y3-A78 HydrophobicContact CD2-CB 4.16Å; Y3-L81 HydrophobicContact CD1-CD1 3.87Å; Y3-L81 HydrophobicContact CE1-CB 4.1Å; Y3-L81 HydrophobicContact CE1-CD1 3.77Å
4	S	90.4	Very high	86.6	Confident	62 Å²	62	64.2 Å²	64.2	43%	0.434	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	117.3	168	-172.4	0	0	0	0	106.8	M1 I20 D21	M1-S4 VanDerWaalsContact SD-CB 3.56Å; S4-I20 WeakPolarHBondContact CA-O 3.1Å; S4-D21 WeakPolarHBondContact CB-OD1 3.26Å; S4-D21 PolarHBondContact OG-OD1 3.42Å
5	G	90.9	Very high	86.5	Confident	16 Å²	16	66.2 Å²	66.2	17%	0.165	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.9	-175.9	0	0	0	0	0	111.5	H7 N19 I20	G5-H7 PolarHBondContact O-CD2 3.42Å; G5-N19 CarbonylContact O-C 3.5Å; G5-N19 WeakPolarHBondContact O-CA 3.36Å; G5-I20 PolarHBondContact N-O 3.48Å; G5-I20 VanDerWaalsContact N-O 3.17Å; G5-I20 PolarHBondContact O-N 3.16Å
6	R	92	Very high	86.7	Confident	108 Å²	108	67.8 Å²	67.8	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.8	173.5	-163.7	163.6	-171.2	-171.6	0.4	108.9	N17 N19 D41 D42	R6-N17 HydrophobicContact CG-CB 4.13Å; R6-N17 PolarHBondContact NE-O 3.26Å; R6-N17 PolarHBondContact NH2-O 3.28Å; R6-N19 WeakPolarHBondContact CA-OD1 3.41Å; R6-N19 WeakPolarHBondContact CB-OD1 3.35Å; R6-N19 WeakPolarHBondContact CG-OD1 3.49Å; R6-D41 IonicContact CZ-OD2 2.68Å; R6-D41 IonicContact NE-OD2 2.74Å; R6-D41 IonicContact NH1-OD2 3.8Å; R6-D42 IonicContact NH2-OD2 3.67Å; R6-D42 PolarHBondContact NH2-OD2 3.28Å
7	H	93.1	Very high	87	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.3	-169.8	-72.4	-75.9	0	0	0	112.8	Y3 G5 V9 R16 N17 L18 I20 L81 E88 L97	Y3-H7 AromaticContact CE1-NE2 3.41Å; Y3-H7 WeakPolarHBondContact CE1-NE2 3.41Å; Y3-H7 AromaticContact CZ-NE2 3.67Å; Y3-H7 PolarHBondContact OH-CE1 2.87Å; Y3-H7 VanDerWaalsContact OH-CE1 3.25Å; Y3-H7 PolarHBondContact OH-NE2 3.26Å; G5-H7 PolarHBondContact O-CD2 3.42Å; H7-V9 HydrophobicContact CB-CG2 4.15Å; H7-V9 PolarHBondContact O-N 3.22Å; H7-V9 VanDerWaalsContact O-N 3.15Å; H7-R16 VanDerWaalsContact O-O 3.13Å; H7-N17 CarbonylContact O-C 3.5Å; H7-N17 VanDerWaalsContact O-CA 3.31Å; H7-N17 WeakPolarHBondContact O-CA 3.06Å; H7-L18 PolarHBondContact N-O 3.49Å; H7-L18 PolarHBondContact O-N 3.44Å; H7-I20 HydrophobicContact CB-CD1 4.36Å; H7-L81 PolarHBondContact CE1-O 3Å; H7-L81 VanDerWaalsContact CE1-O 3.3Å; H7-E88 VanDerWaalsContact CA-OE2 3.31Å; H7-E88 WeakPolarHBondContact CA-OE2 3.29Å; H7-E88 IonicContact CE1-OE1 3.51Å; H7-E88 IonicContact CG-OE1 2.86Å; H7-E88 IonicContact ND1-OE1 3.47Å; H7-E88 PolarHBondContact ND1-OE1 3.44Å; H7-L97 HydrophobicContact CB-CD1 3.63Å
8	L	91.6	Very high	87.4	Confident	61 Å²	61	64.7 Å²	64.7	32%	0.319	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	95.9	168.6	-165.2	74.2	0	0	0	110.4	T15 R16 N17 E88	L8-T15 HydrophobicContact CD1-CG2 4.28Å; L8-T15 HydrophobicContact CD2-CG2 4.15Å; L8-T15 HydrophobicContact CG-CG2 3.98Å; L8-R16 CarbonylContact C-O 3.58Å; L8-R16 WeakPolarHBondContact CA-O 3.42Å; L8-N17 WeakPolarHBondContact CD1-OD1 3.22Å; L8-E88 HydrophobicContact CB-CB 4.4Å; L8-E88 HydrophobicContact CB-CG 3.87Å; L8-E88 VanDerWaalsContact N-CD 3.31Å; L8-E88 PolarHBondContact N-OE2 2.78Å
9	V	91.4	Very high	87.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	179.4	-176.2	0	0	0	0	110.3	H7 F11 T15 R16 L18 L38 L97 F99	H7-V9 HydrophobicContact CB-CG2 4.15Å; H7-V9 PolarHBondContact O-N 3.22Å; H7-V9 VanDerWaalsContact O-N 3.15Å; V9-F11 PolarHBondContact O-N 2.73Å; V9-T15 WeakPolarHBondContact O-CA 2.94Å; V9-R16 PolarHBondContact N-O 3.49Å; V9-R16 PolarHBondContact O-N 2.96Å; V9-L18 HydrophobicContact CB-CD1 3.95Å; V9-L18 HydrophobicContact CB-CG 4.31Å; V9-L18 HydrophobicContact CG1-CD1 4.21Å; V9-L18 HydrophobicContact CG2-CB 4.04Å; V9-L18 HydrophobicContact CG2-CD1 4.2Å; V9-L18 HydrophobicContact CG2-CG 4.37Å; V9-L38 HydrophobicContact CG2-CD1 4.38Å; V9-L97 HydrophobicContact CB-CB 4.37Å; V9-L97 HydrophobicContact CG1-CB 4.28Å; V9-L97 HydrophobicContact CG2-CB 3.94Å; V9-L97 HydrophobicContact CG2-CD1 4.35Å; V9-F99 HydrophobicContact CG1-CB 3.57Å
10	S	90.5	Very high	88	Confident	42 Å²	42	59 Å²	59	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	101	170.5	-172.3	0	0	0	0	109.9	L97 R98 F99	S10-L97 WeakPolarHBondContact CB-O 3.44Å; S10-L97 PolarHBondContact N-O 3.4Å; S10-R98 CarbonylContact O-C 3.6Å; S10-R98 WeakPolarHBondContact O-CA 3.17Å; S10-F99 PolarHBondContact O-N 3.37Å
11	F	87.2	Confident	88.2	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.2	-173.9	180	-110.9	0	0	0	112.3	V9 G13 K14 F46 F99 R101	V9-F11 PolarHBondContact O-N 2.73Å; F11-G13 PolarHBondContact O-N 3.37Å; F11-K14 CarbonylContact C-O 3.59Å; F11-K14 WeakPolarHBondContact CA-O 3.19Å; F11-K14 PolarHBondContact N-O 3.43Å; F11-K14 PolarHBondContact O-N 2.74Å; F11-F46 HydrophobicContact CE1-CE2 4.35Å; F11-F46 HydrophobicContact CE2-CE2 4.35Å; F11-F46 HydrophobicContact CE2-CZ 4.47Å; F11-F46 HydrophobicContact CZ-CE2 4.01Å; F11-F99 WeakPolarHBondContact CA-O 3.46Å; F11-F99 HydrophobicContact CD2-CB 4.06Å; F11-F99 AromaticContact CD2-CD1 3.4Å; F11-F99 HydrophobicContact CD2-CD1 3.4Å; F11-F99 HydrophobicContact CD2-CE1 4.25Å; F11-F99 HydrophobicContact CD2-CG 4.12Å; F11-F99 WeakPolarHBondContact CD2-O 3.2Å; F11-F99 AromaticContact CE2-CD1 3.45Å; F11-F99 HydrophobicContact CE2-CD1 3.45Å; F11-F99 VanDerWaalsContact CE2-CD1 3.45Å; F11-F99 AromaticContact CE2-CE1 3.84Å; F11-F99 HydrophobicContact CE2-CE1 3.84Å; F11-F99 HydrophobicContact CE2-CG 4.45Å; F11-R101 HydrophobicContact CE2-CG 4.2Å; F11-R101 HydrophobicContact CZ-CG 4.36Å
12	E	78.5	Confident	89.3	Confident	117 Å²	117	50.7 Å²	50.7	55%	0.547	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	34.2	179	-65.3	174.1	-175.3	0	0	113.2	R101	E12-R101 WeakPolarHBondContact OE1-CD 3.46Å; E12-R101 IonicContact OE1-CZ 3.85Å; E12-R101 IonicContact OE1-NE 2.68Å; E12-R101 IonicContact OE1-NH1 2.66Å; E12-R101 PolarHBondContact OE1-NH1 2.87Å; E12-R101 IonicContact OE2-NH1 2.74Å
13	G	75.2	Confident	89.5	Confident	77 Å²	77	48.9 Å²	48.9	79%	0.794	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	3.1	-178.3	0	0	0	0	0	115.9	F11	F11-G13 PolarHBondContact O-N 3.37Å
14	K	84.8	Confident	89.3	Confident	159 Å²	159	50.1 Å²	50.1	69%	0.691	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.1	174.5	-62.5	177	-177.9	175.1	0	110.2	F11	F11-K14 CarbonylContact C-O 3.59Å; F11-K14 WeakPolarHBondContact CA-O 3.19Å; F11-K14 PolarHBondContact N-O 3.43Å; F11-K14 PolarHBondContact O-N 2.74Å
15	T	85.3	Confident	88.8	Confident	94 Å²	94	48.5 Å²	48.5	58%	0.577	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.3	169.5	41.2	0	0	0	0	111	L8 V9	L8-T15 HydrophobicContact CD1-CG2 4.28Å; L8-T15 HydrophobicContact CD2-CG2 4.15Å; L8-T15 HydrophobicContact CG-CG2 3.98Å; V9-T15 WeakPolarHBondContact O-CA 2.94Å
16	R	89.7	Confident	87.8	Confident	91 Å²	91	51.9 Å²	51.9	34%	0.343	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.1	172.9	-72.8	-166.8	179.5	-145.2	8.2	110.8	H7 L8 V9 L18 D40	H7-R16 VanDerWaalsContact O-O 3.13Å; L8-R16 CarbonylContact C-O 3.58Å; L8-R16 WeakPolarHBondContact CA-O 3.42Å; V9-R16 PolarHBondContact N-O 3.49Å; V9-R16 PolarHBondContact O-N 2.96Å; R16-L18 HydrophobicContact CB-CD2 4.05Å; R16-L18 HydrophobicContact CB-CG 4Å; R16-L18 PolarHBondContact O-N 2.72Å; R16-D40 IonicContact CZ-OD2 3.83Å; R16-D40 IonicContact NH1-OD2 3.9Å; R16-D40 PolarHBondContact NH1-OD2 3.02Å
17	N	91.2	Very high	86.5	Confident	80 Å²	80	48.2 Å²	48.2	43%	0.428	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	82.2	175.6	-71.6	-14.3	0	0	0	110.8	R6 H7 L8	R6-N17 HydrophobicContact CG-CB 4.13Å; R6-N17 PolarHBondContact NE-O 3.26Å; R6-N17 PolarHBondContact NH2-O 3.28Å; H7-N17 CarbonylContact O-C 3.5Å; H7-N17 VanDerWaalsContact O-CA 3.31Å; H7-N17 WeakPolarHBondContact O-CA 3.06Å; L8-N17 WeakPolarHBondContact CD1-OD1 3.22Å
18	L	93.6	Very high	85.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.8	-177.7	-57.1	-179.8	0	0	0	111.2	H7 V9 R16 L38 T39 D40 F46	H7-L18 PolarHBondContact N-O 3.49Å; H7-L18 PolarHBondContact O-N 3.44Å; V9-L18 HydrophobicContact CB-CD1 3.95Å; V9-L18 HydrophobicContact CB-CG 4.31Å; V9-L18 HydrophobicContact CG1-CD1 4.21Å; V9-L18 HydrophobicContact CG2-CB 4.04Å; V9-L18 HydrophobicContact CG2-CD1 4.2Å; V9-L18 HydrophobicContact CG2-CG 4.37Å; R16-L18 HydrophobicContact CB-CD2 4.05Å; R16-L18 HydrophobicContact CB-CG 4Å; R16-L18 PolarHBondContact O-N 2.72Å; L18-L38 HydrophobicContact CB-CD1 3.72Å; L18-L38 HydrophobicContact CB-CG 4.35Å; L18-L38 HydrophobicContact CD1-CD1 3.94Å; L18-L38 HydrophobicContact CD1-CD2 3.92Å; L18-L38 HydrophobicContact CD1-CG 3.99Å; L18-L38 HydrophobicContact CG-CD1 4.49Å; L18-T39 CarbonylContact C-O 3.54Å; L18-D40 HydrophobicContact CD2-CB 3.7Å; L18-D40 WeakPolarHBondContact CD2-OD2 3.37Å; L18-F46 HydrophobicContact CD1-CE1 3.88Å; L18-F46 HydrophobicContact CD1-CZ 3.98Å; L18-F46 HydrophobicContact CD2-CD1 4.32Å; L18-F46 HydrophobicContact CD2-CE1 4.07Å
19	N	93.2	Very high	83.9	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.08	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.2	172.8	-67.7	-40.7	0	0	0	110.6	G5 R6 L38 T39 D41	G5-N19 CarbonylContact O-C 3.5Å; G5-N19 WeakPolarHBondContact O-CA 3.36Å; R6-N19 WeakPolarHBondContact CA-OD1 3.41Å; R6-N19 WeakPolarHBondContact CB-OD1 3.35Å; R6-N19 WeakPolarHBondContact CG-OD1 3.49Å; N19-L38 WeakPolarHBondContact O-CA 2.98Å; N19-T39 PolarHBondContact N-O 3.24Å; N19-T39 PolarHBondContact O-N 3.48Å; N19-D41 PolarHBondContact ND2-OD1 2.72Å; N19-D41 PolarHBondContact ND2-OD2 3.46Å
20	I	94.1	Very high	82.6	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.3	170.7	-60.8	175.3	0	0	0	108.2	S4 G5 H7 I22 I36 R37 L38 L81 L97	S4-I20 WeakPolarHBondContact CA-O 3.1Å; G5-I20 PolarHBondContact N-O 3.48Å; G5-I20 VanDerWaalsContact N-O 3.17Å; G5-I20 PolarHBondContact O-N 3.16Å; H7-I20 HydrophobicContact CB-CD1 4.36Å; I20-I22 HydrophobicContact CG2-CG1 4.37Å; I20-I36 HydrophobicContact CG2-CG2 4.17Å; I20-R37 WeakPolarHBondContact CA-O 3.46Å; I20-L38 HydrophobicContact CD1-CD1 4.09Å; I20-L38 HydrophobicContact CG1-CD1 3.52Å; I20-L81 HydrophobicContact CB-CD1 4.42Å; I20-L81 HydrophobicContact CD1-CD2 3.65Å; I20-L81 HydrophobicContact CG2-CD1 3.7Å; I20-L97 HydrophobicContact CD1-CD1 3.84Å; I20-L97 HydrophobicContact CD1-CD2 4.26Å
21	D	93	Very high	81.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.8	169.8	-83.3	-6.2	0	0	0	108.5	M1 S4 R37 R144	M1-D21 HydrophobicContact CE-CB 4.36Å; M1-D21 VanDerWaalsContact CE-CG 3.43Å; M1-D21 WeakPolarHBondContact CE-OD1 3.47Å; M1-D21 VanDerWaalsContact CE-OD2 3.28Å; M1-D21 WeakPolarHBondContact CE-OD2 3.17Å; S4-D21 WeakPolarHBondContact CB-OD1 3.26Å; S4-D21 PolarHBondContact OG-OD1 3.42Å; D21-R37 HydrophobicContact CB-CB 4.28Å; D21-R37 PolarHBondContact N-O 2.8Å; D21-R37 PolarHBondContact O-N 3.1Å; D21-R37 IonicContact OD2-CZ 3.12Å; D21-R37 IonicContact OD2-NE 2.63Å; D21-R37 IonicContact OD2-NH2 3.86Å; D21-R37 PolarHBondContact OD2-NH2 3.31Å; D21-R37 VanDerWaalsContact OD2-NH2 3.07Å; D21-R144 VanDerWaalsContact CG-NH2 3.34Å; D21-R144 IonicContact OD1-NH2 3.77Å; D21-R144 PolarHBondContact OD1-NH2 2.65Å; D21-R144 VanDerWaalsContact OD1-NH2 3.17Å; D21-R144 IonicContact OD2-CZ 3.83Å; D21-R144 IonicContact OD2-NH2 2.62Å; D21-R144 PolarHBondContact OD2-NH2 3.41Å
22	I	92.8	Very high	81.5	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.3	166.1	-52.3	-175.8	0	0	0	108.8	F2 Y3 I20 L34 E35 I36 V77 L81	F2-I22 HydrophobicContact CD1-CB 4.49Å; F2-I22 HydrophobicContact CD1-CG2 4.21Å; F2-I22 PolarHBondContact N-O 2.81Å; Y3-I22 HydrophobicContact CD1-CG1 4.42Å; Y3-I22 HydrophobicContact CG-CD1 4.48Å; Y3-I22 PolarHBondContact N-O 3.15Å; Y3-I22 PolarHBondContact O-N 3.12Å; I20-I22 HydrophobicContact CG2-CG1 4.37Å; I22-L34 HydrophobicContact CG2-CD1 3.41Å; I22-L34 VanDerWaalsContact CG2-CD1 3.41Å; I22-L34 HydrophobicContact CG2-CG 4.03Å; I22-E35 WeakPolarHBondContact CA-O 3.37Å; I22-I36 HydrophobicContact CD1-CG1 4.49Å; I22-I36 HydrophobicContact CG1-CG1 4.21Å; I22-I36 HydrophobicContact CG2-CG1 4.24Å; I22-V77 HydrophobicContact CD1-CB 4.28Å; I22-V77 HydrophobicContact CD1-CG1 3.66Å; I22-L81 HydrophobicContact CD1-CD1 3.77Å; I22-L81 HydrophobicContact CG1-CD1 4.45Å
23	E	90.2	Very high	82	Confident	55 Å²	55	63.3 Å²	63.3	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.4	174.4	-52.3	-146.9	97.1	0	0	110.6	M1 E35 R37	M1-E23 WeakPolarHBondContact CA-OE1 3.07Å; M1-E23 WeakPolarHBondContact CB-OE1 3.16Å; M1-E23 PolarHBondContact N-OE1 3.07Å; E23-E35 PolarHBondContact N-O 3.12Å; E23-E35 PolarHBondContact O-N 2.94Å; E23-R37 IonicContact OE2-CZ 2.79Å; E23-R37 IonicContact OE2-NH1 2.69Å; E23-R37 PolarHBondContact OE2-NH1 3.49Å; E23-R37 IonicContact OE2-NH2 2.57Å; E23-R37 PolarHBondContact OE2-NH2 3.47Å
24	L	86.8	Confident	82.8	Confident	70 Å²	70	59.8 Å²	59.8	37%	0.366	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.4	165.7	-76.2	77.5	0	0	0	108.1	F2 D33 L34 E74	F2-L24 HydrophobicContact CB-CD1 3.51Å; F2-L24 HydrophobicContact CD1-CD1 3.91Å; F2-L24 HydrophobicContact CD2-CD1 3.9Å; F2-L24 HydrophobicContact CG-CD1 3.51Å; L24-D33 WeakPolarHBondContact CA-O 3.46Å; L24-L34 HydrophobicContact CD1-CD1 3.86Å; L24-L34 HydrophobicContact CG-CD1 3.99Å; L24-E74 HydrophobicContact CD1-CB 4.17Å; L24-E74 HydrophobicContact CD1-CG 4.21Å; L24-E74 HydrophobicContact CD2-CG 4.14Å; L24-E74 HydrophobicContact CG-CG 4.5Å
25	G	78.9	Confident	83.2	Confident	27 Å²	27	54.5 Å²	54.5	28%	0.278	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	179.7	170.8	0	0	0	0	0	111.9	K32 D33	G25-K32 WeakPolarHBondContact O-CA 3.4Å; G25-D33 WeakPolarHBondContact CA-OD1 3.4Å; G25-D33 PolarHBondContact N-O 3.45Å; G25-D33 PolarHBondContact O-N 3.49Å
26	C	71.3	Confident	83.6	Confident	87 Å²	87	50.1 Å²	50.1	59%	0.588	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.3	163.7	-66.4	0	0	0	0	107.7
27	S	64.6	Low	83.8	Confident	31 Å²	31	46.9 Å²	46.9	22%	0.217	26%	0.261	C	S	.	.			trans	-76.9	177.3	167	65.7	0	0	0	0	110.4	D29 L30 K31 D33	S27-D29 PolarHBondContact O-N 3.09Å; S27-L30 PolarHBondContact O-N 2.68Å; S27-K31 PolarHBondContact N-O 3.37Å; S27-K31 PolarHBondContact OG-O 3.28Å; S27-D33 WeakPolarHBondContact CB-OD2 3.17Å; S27-D33 PolarHBondContact N-OD2 3.46Å; S27-D33 VanDerWaalsContact N-OD2 3.12Å
28	S	65	Low	84	Confident	114 Å²	114	43.1 Å²	43.1	80%	0.797	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.1	-176.4	47.4	0	0	0	0	114.3	L30	S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 2.7Å
29	D	63.6	Low	84	Confident	114 Å²	114	43.4 Å²	43.4	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	20.7	-165.7	-61.6	15.8	0	0	0	111.9	S27 K31	S27-D29 PolarHBondContact O-N 3.09Å; D29-K31 HydrophobicContact CB-CG 4.49Å; D29-K31 PolarHBondContact O-N 2.96Å
30	L	65.6	Low	83.9	Confident	157 Å²	157	43.2 Å²	43.2	82%	0.822	24%	0.241	S	C	*	.	S	Bend	trans	58.5	5.5	-170.7	-62.4	168.6	0	0	0	114.8	S27 S28 K32	S27-L30 PolarHBondContact O-N 2.68Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 2.7Å; L30-K32 PolarHBondContact O-N 2.71Å
31	K	71.8	Confident	83.7	Confident	79 Å²	79	46.5 Å²	46.5	34%	0.343	26%	0.259	S	S	.	.			trans	-65.8	120.1	167.7	-68.7	-177.9	175.3	-174.4	0	108.4	S27 D29 D55	S27-K31 PolarHBondContact N-O 3.37Å; S27-K31 PolarHBondContact OG-O 3.28Å; D29-K31 HydrophobicContact CB-CG 4.49Å; D29-K31 PolarHBondContact O-N 2.96Å; K31-D55 VanDerWaalsContact NZ-CG 3.28Å; K31-D55 IonicContact NZ-OD1 3.8Å; K31-D55 PolarHBondContact NZ-OD1 2.82Å; K31-D55 VanDerWaalsContact NZ-OD1 3.12Å; K31-D55 IonicContact NZ-OD2 2.82Å; K31-D55 PolarHBondContact NZ-OD2 3.48Å
32	K	82.9	Confident	83.6	Confident	74 Å²	74	53 Å²	53	32%	0.322	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	144.4	164.3	-77.3	-176.6	165	-168.7	0	109.5	G25 L30 F70 N71 E74	G25-K32 WeakPolarHBondContact O-CA 3.4Å; L30-K32 PolarHBondContact O-N 2.71Å; K32-F70 HydrophobicContact CB-CD1 4.49Å; K32-F70 HydrophobicContact CB-CE1 3.72Å; K32-F70 HydrophobicContact CD-CE1 4.3Å; K32-N71 WeakPolarHBondContact CE-OD1 3.48Å; K32-N71 PolarHBondContact NZ-OD1 3.28Å; K32-E74 IonicContact NZ-OE1 3.19Å; K32-E74 PolarHBondContact NZ-OE1 3.43Å
33	D	88.5	Confident	83.5	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.6	162.7	49.7	52.8	0	0	0	111.1	L24 G25 S27 R51 I52 T53	L24-D33 WeakPolarHBondContact CA-O 3.46Å; G25-D33 WeakPolarHBondContact CA-OD1 3.4Å; G25-D33 PolarHBondContact N-O 3.45Å; G25-D33 PolarHBondContact O-N 3.49Å; S27-D33 WeakPolarHBondContact CB-OD2 3.17Å; S27-D33 PolarHBondContact N-OD2 3.46Å; S27-D33 VanDerWaalsContact N-OD2 3.12Å; D33-R51 HydrophobicContact CB-CG 4.12Å; D33-R51 IonicContact OD1-CZ 3.67Å; D33-R51 IonicContact OD1-NE 2.59Å; D33-R51 IonicContact OD1-NH2 2.64Å; D33-R51 PolarHBondContact OD1-NH2 3.45Å; D33-R51 IonicContact OD2-CZ 2.76Å; D33-R51 IonicContact OD2-NE 3.93Å; D33-R51 PolarHBondContact OD2-NE 3.34Å; D33-R51 IonicContact OD2-NH2 3.54Å; D33-R51 PolarHBondContact OD2-NH2 2.84Å; D33-I52 WeakPolarHBondContact CA-O 3.35Å; D33-T53 HydrophobicContact CB-CG2 4.35Å
34	L	92.4	Very high	83.4	Confident	3 Å²	3	60 Å²	60	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.8	178.7	-169.4	67.8	0	0	0	108.5	I22 L24 I36 R51 I52 F70 F73 E74	I22-L34 HydrophobicContact CG2-CD1 3.41Å; I22-L34 VanDerWaalsContact CG2-CD1 3.41Å; I22-L34 HydrophobicContact CG2-CG 4.03Å; L24-L34 HydrophobicContact CD1-CD1 3.86Å; L24-L34 HydrophobicContact CG-CD1 3.99Å; L34-I36 HydrophobicContact CD2-CD1 4.05Å; L34-I36 HydrophobicContact CD2-CG1 4.27Å; L34-I36 HydrophobicContact CG-CD1 4.5Å; L34-I36 HydrophobicContact CG-CG1 4.2Å; L34-R51 WeakPolarHBondContact O-CA 3.44Å; L34-I52 HydrophobicContact CB-CB 4.49Å; L34-I52 PolarHBondContact N-O 2.96Å; L34-I52 PolarHBondContact O-N 2.85Å; L34-F70 HydrophobicContact CB-CZ 4.36Å; L34-F73 HydrophobicContact CD2-CD1 3.7Å; L34-F73 HydrophobicContact CD2-CE1 3.85Å; L34-E74 HydrophobicContact CD1-CB 3.68Å; L34-E74 HydrophobicContact CD2-CB 4.09Å
35	E	92.3	Very high	83.6	Confident	49 Å²	49	65.7 Å²	65.7	23%	0.229	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.1	167.9	-164.3	-175.7	-149	0	0	109.4	I22 E23 R37 S49 I50	I22-E35 WeakPolarHBondContact CA-O 3.37Å; E23-E35 PolarHBondContact N-O 3.12Å; E23-E35 PolarHBondContact O-N 2.94Å; E35-R37 HydrophobicContact CG-CG 3.77Å; E35-R37 WeakPolarHBondContact OE2-CD 3.35Å; E35-R37 IonicContact OE2-CZ 2.69Å; E35-R37 IonicContact OE2-NE 2.78Å; E35-R37 IonicContact OE2-NH1 3.16Å; E35-R37 PolarHBondContact OE2-NH1 2.96Å; E35-S49 PolarHBondContact OE1-OG 2.78Å; E35-I50 WeakPolarHBondContact CA-O 3.48Å
36	I	93.8	Very high	84.2	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.7	169.5	-60	168.2	0	0	0	106.6	I20 I22 L34 S49 I50 I52 V77 L127	I20-I36 HydrophobicContact CG2-CG2 4.17Å; I22-I36 HydrophobicContact CD1-CG1 4.49Å; I22-I36 HydrophobicContact CG1-CG1 4.21Å; I22-I36 HydrophobicContact CG2-CG1 4.24Å; L34-I36 HydrophobicContact CD2-CD1 4.05Å; L34-I36 HydrophobicContact CD2-CG1 4.27Å; L34-I36 HydrophobicContact CG-CD1 4.5Å; L34-I36 HydrophobicContact CG-CG1 4.2Å; I36-S49 VanDerWaalsContact O-CA 3.25Å; I36-S49 WeakPolarHBondContact O-CA 3.32Å; I36-S49 WeakPolarHBondContact O-CB 3.48Å; I36-I50 HydrophobicContact CB-CG2 3.98Å; I36-I50 PolarHBondContact N-O 3.24Å; I36-I50 PolarHBondContact O-N 2.78Å; I36-I52 HydrophobicContact CD1-CD1 4.22Å; I36-V77 HydrophobicContact CD1-CG1 4.16Å; I36-V77 HydrophobicContact CD1-CG2 4.48Å; I36-L127 HydrophobicContact CD1-CD1 3.56Å
37	R	94	Very high	85.3	Confident	23 Å²	23	61.1 Å²	61.1	9%	0.087	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.6	179.9	-51.5	-170.5	-67.6	-106.3	-0.9	110.5	I20 D21 E23 E35 L47 Y48	I20-R37 WeakPolarHBondContact CA-O 3.46Å; D21-R37 HydrophobicContact CB-CB 4.28Å; D21-R37 PolarHBondContact N-O 2.8Å; D21-R37 PolarHBondContact O-N 3.1Å; D21-R37 IonicContact OD2-CZ 3.12Å; D21-R37 IonicContact OD2-NE 2.63Å; D21-R37 IonicContact OD2-NH2 3.86Å; D21-R37 PolarHBondContact OD2-NH2 3.31Å; D21-R37 VanDerWaalsContact OD2-NH2 3.07Å; E23-R37 IonicContact OE2-CZ 2.79Å; E23-R37 IonicContact OE2-NH1 2.69Å; E23-R37 PolarHBondContact OE2-NH1 3.49Å; E23-R37 IonicContact OE2-NH2 2.57Å; E23-R37 PolarHBondContact OE2-NH2 3.47Å; E35-R37 HydrophobicContact CG-CG 3.77Å; E35-R37 WeakPolarHBondContact OE2-CD 3.35Å; E35-R37 IonicContact OE2-CZ 2.69Å; E35-R37 IonicContact OE2-NE 2.78Å; E35-R37 IonicContact OE2-NH1 3.16Å; E35-R37 PolarHBondContact OE2-NH1 2.96Å; R37-L47 HydrophobicContact CB-CD1 4.13Å; R37-Y48 CarbonylContact C-O 3.5Å; R37-Y48 WeakPolarHBondContact CA-O 3.19Å
38	L	94.8	Very high	86.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.8	176.5	-177	75.6	0	0	0	108.2	V9 L18 N19 I20 F46 Y48 F99 L129	V9-L38 HydrophobicContact CG2-CD1 4.38Å; L18-L38 HydrophobicContact CB-CD1 3.72Å; L18-L38 HydrophobicContact CB-CG 4.35Å; L18-L38 HydrophobicContact CD1-CD1 3.94Å; L18-L38 HydrophobicContact CD1-CD2 3.92Å; L18-L38 HydrophobicContact CD1-CG 3.99Å; L18-L38 HydrophobicContact CG-CD1 4.49Å; N19-L38 WeakPolarHBondContact O-CA 2.98Å; I20-L38 HydrophobicContact CD1-CD1 4.09Å; I20-L38 HydrophobicContact CG1-CD1 3.52Å; L38-F46 HydrophobicContact CD2-CE1 4.06Å; L38-F46 HydrophobicContact CD2-CZ 4.35Å; L38-F46 HydrophobicContact CG-CE1 4.06Å; L38-Y48 PolarHBondContact N-O 3.38Å; L38-Y48 PolarHBondContact O-N 2.85Å; L38-F99 HydrophobicContact CD2-CB 4.24Å; L38-F99 HydrophobicContact CD2-CD1 3.54Å; L38-F99 HydrophobicContact CD2-CD2 3.87Å; L38-F99 HydrophobicContact CD2-CE1 3.81Å; L38-F99 HydrophobicContact CD2-CE2 4.08Å; L38-F99 HydrophobicContact CD2-CG 3.62Å; L38-F99 HydrophobicContact CD2-CZ 4.08Å; L38-L129 HydrophobicContact CB-CD2 3.78Å
39	T	93.7	Very high	88	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.9	-174.6	53.9	0	0	0	0	112.4	L18 N19 F46 L47 F140	L18-T39 CarbonylContact C-O 3.54Å; N19-T39 PolarHBondContact N-O 3.24Å; N19-T39 PolarHBondContact O-N 3.48Å; T39-F46 VanDerWaalsContact CA-O 3.28Å; T39-F46 WeakPolarHBondContact CA-O 3.39Å; T39-L47 HydrophobicContact CG2-CB 4.24Å; T39-L47 HydrophobicContact CG2-CD1 3.36Å; T39-L47 HydrophobicContact CG2-CG 4.35Å; T39-F140 HydrophobicContact CG2-CE1 3.98Å; T39-F140 HydrophobicContact CG2-CE2 4.26Å; T39-F140 HydrophobicContact CG2-CZ 3.72Å
40	D	92.2	Very high	89.4	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.064	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.2	173.4	-153.8	-29.1	0	0	0	109.7	R16 L18 D42 D43 F46	R16-D40 IonicContact CZ-OD2 3.83Å; R16-D40 IonicContact NH1-OD2 3.9Å; R16-D40 PolarHBondContact NH1-OD2 3.02Å; L18-D40 HydrophobicContact CD2-CB 3.7Å; L18-D40 WeakPolarHBondContact CD2-OD2 3.37Å; D40-D42 VanDerWaalsContact C-N 3.28Å; D40-D42 PolarHBondContact OD1-N 3.09Å; D40-D42 VanDerWaalsContact OD1-N 3.12Å; D40-D43 HydrophobicContact CB-CB 4.07Å; D40-F46 HydrophobicContact CB-CB 3.77Å; D40-F46 HydrophobicContact CB-CD1 4.05Å; D40-F46 HydrophobicContact CB-CG 4.03Å; D40-F46 PolarHBondContact N-O 3.11Å
41	D	89.9	Confident	90.7	Very high	70 Å²	70	49.6 Å²	49.6	37%	0.374	23%	0.225	S	C	.	.	S	Bend	trans	-75.1	-25.2	172.6	-78	-37.9	0	0	0	111.1	R6 N19	R6-D41 IonicContact CZ-OD2 2.68Å; R6-D41 IonicContact NE-OD2 2.74Å; R6-D41 IonicContact NH1-OD2 3.8Å; N19-D41 PolarHBondContact ND2-OD1 2.72Å; N19-D41 PolarHBondContact ND2-OD2 3.46Å
42	D	90	Very high	91.7	Very high	136 Å²	136	45.9 Å²	45.9	73%	0.727	21%	0.209	S	C	*	.	S	Bend	trans	-93.3	-7.6	-176.6	-61.8	-67.2	0	0	0	112.2	R6 D40	R6-D42 IonicContact NH2-OD2 3.67Å; R6-D42 PolarHBondContact NH2-OD2 3.28Å; D40-D42 VanDerWaalsContact C-N 3.28Å; D40-D42 PolarHBondContact OD1-N 3.09Å; D40-D42 VanDerWaalsContact OD1-N 3.12Å
43	D	90.3	Very high	92.1	Very high	59 Å²	59	43.7 Å²	43.7	32%	0.316	20%	0.201	S	C	.	.			trans	-140.4	95.8	175.2	-178.9	-0.3	0	0	0	111.5	D40 Y45 F46	D40-D43 HydrophobicContact CB-CB 4.07Å; D43-Y45 PolarHBondContact O-N 3.23Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.17Å; D43-Y45 PolarHBondContact OD1-N 2.84Å; D43-F46 HydrophobicContact CB-CB 4.07Å; D43-F46 WeakPolarHBondContact O-CB 3.18Å; D43-F46 PolarHBondContact O-N 3.31Å
44	F	89.3	Confident	92.2	Very high	143 Å²	143	46 Å²	46	63%	0.627	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-9	179.8	-65.5	-64.8	0	0	0	115.4	L141	F44-L141 HydrophobicContact CB-CD2 4.12Å; F44-L141 HydrophobicContact CD1-CD2 4.13Å
45	Y	89.8	Confident	92	Very high	190 Å²	190	49.9 Å²	49.9	75%	0.745	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.7	172.3	-63.4	-87.9	0	0	0	112.4	D43 L47 L137	D43-Y45 PolarHBondContact O-N 3.23Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.17Å; D43-Y45 PolarHBondContact OD1-N 2.84Å; Y45-L47 PolarHBondContact O-N 2.84Å; Y45-L47 VanDerWaalsContact O-N 3.07Å; Y45-L137 HydrophobicContact CD1-CD2 3.85Å
46	F	92	Very high	91.9	Very high	9 Å²	9	51.8 Å²	51.8	4%	0.039	25%	0.245	C	C	.	.			trans	-78.1	93.9	175.9	-165.6	-81.2	0	0	0	110	F11 L18 L38 T39 D40 D43 Y48 F99	F11-F46 HydrophobicContact CE1-CE2 4.35Å; F11-F46 HydrophobicContact CE2-CE2 4.35Å; F11-F46 HydrophobicContact CE2-CZ 4.47Å; F11-F46 HydrophobicContact CZ-CE2 4.01Å; L18-F46 HydrophobicContact CD1-CE1 3.88Å; L18-F46 HydrophobicContact CD1-CZ 3.98Å; L18-F46 HydrophobicContact CD2-CD1 4.32Å; L18-F46 HydrophobicContact CD2-CE1 4.07Å; L38-F46 HydrophobicContact CD2-CE1 4.06Å; L38-F46 HydrophobicContact CD2-CZ 4.35Å; L38-F46 HydrophobicContact CG-CE1 4.06Å; T39-F46 VanDerWaalsContact CA-O 3.28Å; T39-F46 WeakPolarHBondContact CA-O 3.39Å; D40-F46 HydrophobicContact CB-CB 3.77Å; D40-F46 HydrophobicContact CB-CD1 4.05Å; D40-F46 HydrophobicContact CB-CG 4.03Å; D40-F46 PolarHBondContact N-O 3.11Å; D43-F46 HydrophobicContact CB-CB 4.07Å; D43-F46 WeakPolarHBondContact O-CB 3.18Å; D43-F46 PolarHBondContact O-N 3.31Å; F46-Y48 HydrophobicContact CD1-CD2 4.44Å; F46-Y48 HydrophobicContact CD2-CE2 4.4Å; F46-Y48 AromaticContact CE1-CD2 3.99Å; F46-Y48 HydrophobicContact CE1-CD2 3.99Å; F46-Y48 HydrophobicContact CE2-CD2 4.2Å; F46-Y48 AromaticContact CE2-CE2 3.98Å; F46-Y48 HydrophobicContact CE2-CE2 3.98Å; F46-Y48 AromaticContact CZ-CD2 3.87Å; F46-Y48 HydrophobicContact CZ-CD2 3.87Å; F46-Y48 HydrophobicContact CZ-CE2 4.08Å; F46-F99 AromaticContact CZ-CD1 3.99Å; F46-F99 HydrophobicContact CZ-CD1 3.99Å; F46-F99 AromaticContact CZ-CE1 3.79Å; F46-F99 HydrophobicContact CZ-CE1 3.79Å
47	L	93.5	Very high	91.8	Very high	9 Å²	9	52 Å²	52	5%	0.047	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	115.5	168.4	171.9	61.6	0	0	0	109.4	R37 T39 Y45 A132 L137 F140	R37-L47 HydrophobicContact CB-CD1 4.13Å; T39-L47 HydrophobicContact CG2-CB 4.24Å; T39-L47 HydrophobicContact CG2-CD1 3.36Å; T39-L47 HydrophobicContact CG2-CG 4.35Å; Y45-L47 PolarHBondContact O-N 2.84Å; Y45-L47 VanDerWaalsContact O-N 3.07Å; L47-A132 HydrophobicContact CB-CB 4Å; L47-A132 HydrophobicContact CD2-CB 3.44Å; L47-A132 VanDerWaalsContact CD2-CB 3.44Å; L47-A132 HydrophobicContact CG-CB 3.52Å; L47-A132 PolarHBondContact O-N 2.79Å; L47-L137 HydrophobicContact CB-CD1 3.84Å; L47-L137 HydrophobicContact CD2-CD1 4.06Å; L47-F140 HydrophobicContact CD2-CB 3.76Å; L47-F140 HydrophobicContact CD2-CD1 4.27Å; L47-F140 HydrophobicContact CD2-CG 4.01Å
48	Y	94.2	Very high	91.7	Very high	16 Å²	16	54.9 Å²	54.9	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.1	167.4	-80.3	-92.1	0	0	0	109	R37 L38 F46 F99 R101 L129 Y130 A131	R37-Y48 CarbonylContact C-O 3.5Å; R37-Y48 WeakPolarHBondContact CA-O 3.19Å; L38-Y48 PolarHBondContact N-O 3.38Å; L38-Y48 PolarHBondContact O-N 2.85Å; F46-Y48 HydrophobicContact CD1-CD2 4.44Å; F46-Y48 HydrophobicContact CD2-CE2 4.4Å; F46-Y48 AromaticContact CE1-CD2 3.99Å; F46-Y48 HydrophobicContact CE1-CD2 3.99Å; F46-Y48 HydrophobicContact CE2-CD2 4.2Å; F46-Y48 AromaticContact CE2-CE2 3.98Å; F46-Y48 HydrophobicContact CE2-CE2 3.98Å; F46-Y48 AromaticContact CZ-CD2 3.87Å; F46-Y48 HydrophobicContact CZ-CD2 3.87Å; F46-Y48 HydrophobicContact CZ-CE2 4.08Å; Y48-F99 HydrophobicContact CD1-CE1 4.36Å; Y48-F99 AromaticContact CD1-CZ 3.63Å; Y48-F99 HydrophobicContact CD1-CZ 3.63Å; Y48-F99 AromaticContact CD2-CE1 3.78Å; Y48-F99 HydrophobicContact CD2-CE1 3.78Å; Y48-F99 AromaticContact CD2-CZ 3.84Å; Y48-F99 HydrophobicContact CD2-CZ 3.84Å; Y48-F99 AromaticContact CE1-CZ 3.98Å; Y48-F99 HydrophobicContact CE1-CZ 3.98Å; Y48-F99 AromaticContact CE2-CE1 3.95Å; Y48-F99 HydrophobicContact CE2-CE1 3.95Å; Y48-F99 HydrophobicContact CE2-CZ 4.18Å; Y48-F99 HydrophobicContact CG-CE1 4.01Å; Y48-F99 AromaticContact CG-CZ 3.56Å; Y48-F99 HydrophobicContact CG-CZ 3.56Å; Y48-R101 PolarHBondContact OH-NE 2.79Å; Y48-L129 HydrophobicContact CD1-CB 4.44Å; Y48-Y130 CarbonylContact C-O 3.6Å; Y48-Y130 VanDerWaalsContact CA-O 3.28Å; Y48-Y130 WeakPolarHBondContact CA-O 3.14Å; Y48-A131 HydrophobicContact CD1-CB 4.13Å; Y48-A131 HydrophobicContact CE1-CB 3.67Å
49	S	93.8	Very high	91.5	Very high	11 Å²	11	60.6 Å²	60.6	8%	0.077	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.1	170.9	74.8	0	0	0	0	114	E35 I36 Y130	E35-S49 PolarHBondContact OE1-OG 2.78Å; I36-S49 VanDerWaalsContact O-CA 3.25Å; I36-S49 WeakPolarHBondContact O-CA 3.32Å; I36-S49 WeakPolarHBondContact O-CB 3.48Å; S49-Y130 PolarHBondContact N-O 2.75Å; S49-Y130 PolarHBondContact O-N 3.22Å
50	I	93.1	Very high	91.4	Very high	17 Å²	17	61.2 Å²	61.2	9%	0.087	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.5	163.6	-170	179.3	0	0	0	107.2	E35 I36 I52 L127 T128 L129	E35-I50 WeakPolarHBondContact CA-O 3.48Å; I36-I50 HydrophobicContact CB-CG2 3.98Å; I36-I50 PolarHBondContact N-O 3.24Å; I36-I50 PolarHBondContact O-N 2.78Å; I50-I52 HydrophobicContact CB-CG1 4.5Å; I50-I52 HydrophobicContact CD1-CD1 3.97Å; I50-I52 HydrophobicContact CD1-CG1 3.67Å; I50-I52 HydrophobicContact CG1-CD1 4.39Å; I50-I52 HydrophobicContact CG1-CG1 3.74Å; I50-I52 HydrophobicContact CG2-CD1 4.07Å; I50-I52 HydrophobicContact CG2-CG1 4.15Å; I50-L127 HydrophobicContact CD1-CB 4.38Å; I50-L127 HydrophobicContact CG2-CD1 4.38Å; I50-T128 WeakPolarHBondContact CD1-O 3.02Å; I50-L129 HydrophobicContact CB-CD1 4.35Å; I50-L129 HydrophobicContact CB-CG 4.12Å; I50-L129 HydrophobicContact CG2-CD1 3.94Å; I50-L129 HydrophobicContact CG2-CG 3.99Å
51	R	92.3	Very high	91.4	Very high	129 Å²	129	63.3 Å²	63.3	49%	0.487	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.5	167.3	-173.9	178.9	-172.1	151.6	4.6	106.3	D33 L34	D33-R51 HydrophobicContact CB-CG 4.12Å; D33-R51 IonicContact OD1-CZ 3.67Å; D33-R51 IonicContact OD1-NE 2.59Å; D33-R51 IonicContact OD1-NH2 2.64Å; D33-R51 PolarHBondContact OD1-NH2 3.45Å; D33-R51 IonicContact OD2-CZ 2.76Å; D33-R51 IonicContact OD2-NE 3.93Å; D33-R51 PolarHBondContact OD2-NE 3.34Å; D33-R51 IonicContact OD2-NH2 3.54Å; D33-R51 PolarHBondContact OD2-NH2 2.84Å; L34-R51 WeakPolarHBondContact O-CA 3.44Å
52	I	92.9	Very high	91.5	Very high	1 Å²	1	68 Å²	68	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.5	-175.6	-55	169.3	0	0	0	107.9	D33 L34 I36 I50 F57 I60 F70 F73 L127	D33-I52 WeakPolarHBondContact CA-O 3.35Å; L34-I52 HydrophobicContact CB-CB 4.49Å; L34-I52 PolarHBondContact N-O 2.96Å; L34-I52 PolarHBondContact O-N 2.85Å; I36-I52 HydrophobicContact CD1-CD1 4.22Å; I50-I52 HydrophobicContact CB-CG1 4.5Å; I50-I52 HydrophobicContact CD1-CD1 3.97Å; I50-I52 HydrophobicContact CD1-CG1 3.67Å; I50-I52 HydrophobicContact CG1-CD1 4.39Å; I50-I52 HydrophobicContact CG1-CG1 3.74Å; I50-I52 HydrophobicContact CG2-CD1 4.07Å; I50-I52 HydrophobicContact CG2-CG1 4.15Å; I52-F57 HydrophobicContact CG2-CB 3.89Å; I52-I60 HydrophobicContact CD1-CD1 4.24Å; I52-I60 HydrophobicContact CG1-CD1 4.27Å; I52-I60 HydrophobicContact CG2-CD1 3.93Å; I52-F70 HydrophobicContact CG2-CE2 4.24Å; I52-F70 WeakPolarHBondContact O-CZ 3.25Å; I52-F73 HydrophobicContact CD1-CE1 3.74Å; I52-F73 HydrophobicContact CD1-CZ 4.28Å; I52-L127 HydrophobicContact CD1-CD1 4.11Å; I52-L127 HydrophobicContact CD1-CD2 4.07Å
53	T	91.7	Very high	91.6	Very high	28 Å²	28	68.2 Å²	68.2	17%	0.172	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	168.4	168.9	63.6	0	0	0	0	111.4	D33 D55 E56 F57	D33-T53 HydrophobicContact CB-CG2 4.35Å; T53-D55 PolarHBondContact O-N 3.23Å; T53-E56 VanDerWaalsContact CB-OE2 3.23Å; T53-E56 WeakPolarHBondContact CB-OE2 3.19Å; T53-E56 VanDerWaalsContact CG2-OE2 3.27Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.44Å; T53-E56 PolarHBondContact N-OE2 2.76Å; T53-E56 PolarHBondContact O-N 2.8Å; T53-E56 WeakPolarHBondContact OG1-CG 3.38Å; T53-E56 PolarHBondContact OG1-N 3.33Å; T53-E56 PolarHBondContact OG1-OE2 3.32Å; T53-F57 WeakPolarHBondContact O-CB 3.31Å; T53-F57 PolarHBondContact O-N 2.69Å
54	V	89.2	Confident	91.7	Very high	52 Å²	52	68.4 Å²	68.4	32%	0.315	32%	0.32	S	S	.	.	H	α-helix	trans	-58.2	-33.8	174.7	-171.3	0	0	0	0	112.2	T58 F70	V54-T58 PolarHBondContact O-N 3.1Å; V54-T58 PolarHBondContact O-OG1 3.46Å; V54-F70 HydrophobicContact CG2-CD1 3.81Å; V54-F70 HydrophobicContact CG2-CE1 3.9Å; V54-F70 HydrophobicContact CG2-CG 4.33Å; V54-F70 HydrophobicContact CG2-CZ 4.49Å
55	D	89	Confident	91.8	Very high	85 Å²	85	64.1 Å²	64.1	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-76	-49.3	-177.6	-47.1	-69.3	0	0	0	110.3	K31 T53 F57 T58 E59	K31-D55 VanDerWaalsContact NZ-CG 3.28Å; K31-D55 IonicContact NZ-OD1 3.8Å; K31-D55 PolarHBondContact NZ-OD1 2.82Å; K31-D55 VanDerWaalsContact NZ-OD1 3.12Å; K31-D55 IonicContact NZ-OD2 2.82Å; K31-D55 PolarHBondContact NZ-OD2 3.48Å; T53-D55 PolarHBondContact O-N 3.23Å; D55-F57 VanDerWaalsContact C-N 3.3Å; D55-F57 PolarHBondContact O-N 2.76Å; D55-T58 WeakPolarHBondContact O-CA 3.29Å; D55-T58 VanDerWaalsContact O-CB 3.25Å; D55-T58 WeakPolarHBondContact O-CB 3.18Å; D55-T58 PolarHBondContact O-N 2.78Å; D55-E59 PolarHBondContact O-N 2.7Å
56	E	90.4	Very high	91.9	Very high	90 Å²	90	56.3 Å²	56.3	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-36.3	174	-67.1	158	133.9	0	0	112.3	T53 T58 E59 I60	T53-E56 VanDerWaalsContact CB-OE2 3.23Å; T53-E56 WeakPolarHBondContact CB-OE2 3.19Å; T53-E56 VanDerWaalsContact CG2-OE2 3.27Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.44Å; T53-E56 PolarHBondContact N-OE2 2.76Å; T53-E56 PolarHBondContact O-N 2.8Å; T53-E56 WeakPolarHBondContact OG1-CG 3.38Å; T53-E56 PolarHBondContact OG1-N 3.33Å; T53-E56 PolarHBondContact OG1-OE2 3.32Å; E56-T58 PolarHBondContact O-N 2.77Å; E56-E59 WeakPolarHBondContact O-CB 3.46Å; E56-E59 PolarHBondContact O-N 2.72Å; E56-E59 VanDerWaalsContact O-N 3.15Å; E56-I60 WeakPolarHBondContact O-CG1 3.47Å; E56-I60 PolarHBondContact O-N 2.69Å
57	F	92	Very high	91.9	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.022	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-31.4	172.2	173.6	-101.7	0	0	0	112.3	I52 T53 D55 E59 I60 K61 L66 F70 F73	I52-F57 HydrophobicContact CG2-CB 3.89Å; T53-F57 WeakPolarHBondContact O-CB 3.31Å; T53-F57 PolarHBondContact O-N 2.69Å; D55-F57 VanDerWaalsContact C-N 3.3Å; D55-F57 PolarHBondContact O-N 2.76Å; F57-E59 VanDerWaalsContact C-N 3.3Å; F57-E59 PolarHBondContact O-N 3.47Å; F57-I60 PolarHBondContact O-N 2.71Å; F57-K61 HydrophobicContact CD1-CB 4.5Å; F57-K61 HydrophobicContact CE1-CB 4.14Å; F57-K61 HydrophobicContact CE1-CD 3.8Å; F57-K61 HydrophobicContact CZ-CB 4.17Å; F57-K61 HydrophobicContact CZ-CD 4.1Å; F57-K61 WeakPolarHBondContact O-CB 3.07Å; F57-K61 PolarHBondContact O-N 3.34Å; F57-L66 HydrophobicContact CE2-CD1 3.99Å; F57-F70 HydrophobicContact CB-CD2 3.48Å; F57-F70 VanDerWaalsContact CB-CD2 3.48Å; F57-F70 HydrophobicContact CB-CE2 3.9Å; F57-F70 HydrophobicContact CD1-CB 3.76Å; F57-F70 AromaticContact CD1-CD2 3.83Å; F57-F70 HydrophobicContact CD1-CD2 3.83Å; F57-F70 HydrophobicContact CD1-CG 4.28Å; F57-F70 HydrophobicContact CD2-CD2 4.03Å; F57-F70 HydrophobicContact CE1-CB 4.04Å; F57-F70 HydrophobicContact CG-CB 4.32Å; F57-F70 AromaticContact CG-CD2 3.49Å; F57-F70 HydrophobicContact CG-CD2 3.49Å; F57-F70 VanDerWaalsContact CG-CD2 3.49Å; F57-F70 HydrophobicContact CG-CE2 4.29Å; F57-F70 HydrophobicContact CG-CG 4.38Å; F57-F73 HydrophobicContact CD2-CB 4.29Å; F57-F73 AromaticContact CD2-CD1 3.97Å; F57-F73 HydrophobicContact CD2-CD1 3.97Å; F57-F73 HydrophobicContact CD2-CD2 4.21Å; F57-F73 HydrophobicContact CD2-CE1 4.35Å; F57-F73 AromaticContact CD2-CG 3.9Å; F57-F73 HydrophobicContact CD2-CG 3.9Å; F57-F73 HydrophobicContact CE2-CB 3.73Å; F57-F73 HydrophobicContact CE2-CD1 4.07Å; F57-F73 AromaticContact CE2-CD2 3.56Å; F57-F73 HydrophobicContact CE2-CD2 3.56Å; F57-F73 HydrophobicContact CE2-CE2 4.16Å; F57-F73 AromaticContact CE2-CG 3.51Å; F57-F73 HydrophobicContact CE2-CG 3.51Å; F57-F73 HydrophobicContact CZ-CB 4.19Å; F57-F73 HydrophobicContact CZ-CG 4.42Å
58	T	91.2	Very high	91.8	Very high	84 Å²	84	65.4 Å²	65.4	52%	0.515	34%	0.335	S	S	.	.	H	α-helix	trans	-67.1	-36.1	177.9	-57.2	0	0	0	0	110.9	V54 D55 E56 Q62	V54-T58 PolarHBondContact O-N 3.1Å; V54-T58 PolarHBondContact O-OG1 3.46Å; D55-T58 WeakPolarHBondContact O-CA 3.29Å; D55-T58 VanDerWaalsContact O-CB 3.25Å; D55-T58 WeakPolarHBondContact O-CB 3.18Å; D55-T58 PolarHBondContact O-N 2.78Å; E56-T58 PolarHBondContact O-N 2.77Å; T58-Q62 PolarHBondContact O-N 2.73Å; T58-Q62 VanDerWaalsContact O-N 3.13Å
59	E	91.1	Very high	91.7	Very high	121 Å²	121	68.9 Å²	68.9	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-68.4	-50.1	172	-56.8	-171.3	-179	0	0	111.7	D55 E56 F57 K61 Q62 Q63	D55-E59 PolarHBondContact O-N 2.7Å; E56-E59 WeakPolarHBondContact O-CB 3.46Å; E56-E59 PolarHBondContact O-N 2.72Å; E56-E59 VanDerWaalsContact O-N 3.15Å; F57-E59 VanDerWaalsContact C-N 3.3Å; F57-E59 PolarHBondContact O-N 3.47Å; E59-K61 VanDerWaalsContact C-N 3.27Å; E59-K61 PolarHBondContact O-N 2.73Å; E59-Q62 PolarHBondContact O-N 3.45Å; E59-Q62 VanDerWaalsContact O-N 3.09Å; E59-Q63 WeakPolarHBondContact O-CB 3.48Å; E59-Q63 VanDerWaalsContact O-CG 3.26Å; E59-Q63 WeakPolarHBondContact O-CG 3.15Å; E59-Q63 PolarHBondContact O-N 3.23Å
60	I	91.8	Very high	91.6	Very high	18 Å²	18	69.3 Å²	69.3	9%	0.092	36%	0.355	C	S	.	.	H	α-helix	trans	-55.2	-43.6	176.2	-70.3	168.3	0	0	0	110.9	I52 E56 F57 Q62 Q63 Q64 L66 L127	I52-I60 HydrophobicContact CD1-CD1 4.24Å; I52-I60 HydrophobicContact CG1-CD1 4.27Å; I52-I60 HydrophobicContact CG2-CD1 3.93Å; E56-I60 WeakPolarHBondContact O-CG1 3.47Å; E56-I60 PolarHBondContact O-N 2.69Å; F57-I60 PolarHBondContact O-N 2.71Å; I60-Q62 PolarHBondContact O-N 2.76Å; I60-Q63 PolarHBondContact O-N 3.45Å; I60-Q64 WeakPolarHBondContact O-CB 3.13Å; I60-Q64 PolarHBondContact O-N 2.7Å; I60-L66 HydrophobicContact CG2-CD1 4Å; I60-L127 HydrophobicContact CD1-CD2 4.31Å; I60-L127 HydrophobicContact CG2-CD2 4.4Å
61	K	92.2	Very high	91.3	Very high	56 Å²	56	73.6 Å²	73.6	24%	0.243	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-44.1	176.8	172.5	162	-179.1	162.3	0	112	F57 E59 G65 L66 I68 N69	F57-K61 HydrophobicContact CD1-CB 4.5Å; F57-K61 HydrophobicContact CE1-CB 4.14Å; F57-K61 HydrophobicContact CE1-CD 3.8Å; F57-K61 HydrophobicContact CZ-CB 4.17Å; F57-K61 HydrophobicContact CZ-CD 4.1Å; F57-K61 WeakPolarHBondContact O-CB 3.07Å; F57-K61 PolarHBondContact O-N 3.34Å; E59-K61 VanDerWaalsContact C-N 3.27Å; E59-K61 PolarHBondContact O-N 2.73Å; K61-G65 WeakPolarHBondContact O-CA 3.4Å; K61-G65 PolarHBondContact O-N 2.77Å; K61-G65 VanDerWaalsContact O-N 3.08Å; K61-L66 HydrophobicContact CB-CB 4.4Å; K61-L66 VanDerWaalsContact CE-O 3.23Å; K61-L66 WeakPolarHBondContact CE-O 3.2Å; K61-L66 HydrophobicContact CG-CB 4.25Å; K61-L66 WeakPolarHBondContact CG-O 3.12Å; K61-L66 PolarHBondContact O-N 2.72Å; K61-I68 WeakPolarHBondContact CD-O 3.26Å; K61-I68 WeakPolarHBondContact CE-O 3.28Å; K61-I68 PolarHBondContact NZ-O 2.75Å; K61-N69 PolarHBondContact NZ-OD1 2.78Å
62	Q	92.1	Very high	91.3	Very high	170 Å²	170	71.9 Å²	71.9	79%	0.794	38%	0.376	S	S	*	.	H	α-helix	trans	-71	-42.7	177.1	-172.9	175.1	3.8	0	0	112.3	T58 E59 I60	T58-Q62 PolarHBondContact O-N 2.73Å; T58-Q62 VanDerWaalsContact O-N 3.13Å; E59-Q62 PolarHBondContact O-N 3.45Å; E59-Q62 VanDerWaalsContact O-N 3.09Å; I60-Q62 PolarHBondContact O-N 2.76Å
63	Q	91.8	Very high	91.3	Very high	140 Å²	140	72 Å²	72	65%	0.654	38%	0.376	S	S	*	.	H	α-helix	trans	-66.4	-37.5	-178.5	-70.4	170.8	16.7	0	0	112.8	E59 I60	E59-Q63 WeakPolarHBondContact O-CB 3.48Å; E59-Q63 VanDerWaalsContact O-CG 3.26Å; E59-Q63 WeakPolarHBondContact O-CG 3.15Å; E59-Q63 PolarHBondContact O-N 3.23Å; I60-Q63 PolarHBondContact O-N 3.45Å
64	Q	92.3	Very high	91.2	Very high	62 Å²	62	71.5 Å²	71.5	29%	0.29	37%	0.372	S	S	.	.	H	α-helix	trans	-107.1	3.9	-173.7	-60.3	179.5	48.5	0	0	113.4	I60 L66 S126	I60-Q64 WeakPolarHBondContact O-CB 3.13Å; I60-Q64 PolarHBondContact O-N 2.7Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 HydrophobicContact CB-CD2 4.12Å; Q64-L66 HydrophobicContact CB-CG 4.13Å; Q64-L66 PolarHBondContact O-N 3.35Å; Q64-S126 PolarHBondContact NE2-O 2.81Å; Q64-S126 PolarHBondContact OE1-O 2.97Å
65	G	91.1	Very high	91.4	Very high	53 Å²	53	73.3 Å²	73.3	55%	0.546	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	28.6	176.7	0	0	0	0	0	114.3	K61 L67	K61-G65 WeakPolarHBondContact O-CA 3.4Å; K61-G65 PolarHBondContact O-N 2.77Å; K61-G65 VanDerWaalsContact O-N 3.08Å; G65-L67 PolarHBondContact O-N 3.43Å
66	L	92.2	Very high	91.6	Very high	27 Å²	27	74 Å²	74	14%	0.141	38%	0.376	C	S	.	.			trans	-68.4	126.7	-175.3	-53.3	-178.6	0	0	0	110.5	F57 I60 K61 Q64 I68 F73 L125	F57-L66 HydrophobicContact CE2-CD1 3.99Å; I60-L66 HydrophobicContact CG2-CD1 4Å; K61-L66 HydrophobicContact CB-CB 4.4Å; K61-L66 VanDerWaalsContact CE-O 3.23Å; K61-L66 WeakPolarHBondContact CE-O 3.2Å; K61-L66 HydrophobicContact CG-CB 4.25Å; K61-L66 WeakPolarHBondContact CG-O 3.12Å; K61-L66 PolarHBondContact O-N 2.72Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 HydrophobicContact CB-CD2 4.12Å; Q64-L66 HydrophobicContact CB-CG 4.13Å; Q64-L66 PolarHBondContact O-N 3.35Å; L66-I68 HydrophobicContact CB-CG1 4.47Å; L66-F73 HydrophobicContact CD1-CD2 4.27Å; L66-F73 HydrophobicContact CD1-CE2 3.98Å; L66-L125 HydrophobicContact CD1-CD1 4.4Å
67	L	91.4	Very high	91.7	Very high	166 Å²	166	69.9 Å²	69.9	87%	0.869	36%	0.357	S	S	*	.			trans	-83.4	-17.8	-178.3	-60.2	179	0	0	0	113.4	G65	G65-L67 PolarHBondContact O-N 3.43Å
68	I	92.2	Very high	91.8	Very high	42 Å²	42	70 Å²	70	22%	0.215	36%	0.359	C	S	.	.	S	Bend	trans	-85.1	162.9	-173.8	62.2	-177.9	0	0	0	113.4	K61 L66 E72 F73 K76	K61-I68 WeakPolarHBondContact CD-O 3.26Å; K61-I68 WeakPolarHBondContact CE-O 3.28Å; K61-I68 PolarHBondContact NZ-O 2.75Å; L66-I68 HydrophobicContact CB-CG1 4.47Å; I68-E72 HydrophobicContact CB-CB 4.08Å; I68-F73 HydrophobicContact CD1-CB 4.44Å; I68-F73 HydrophobicContact CD1-CD2 4.17Å; I68-K76 HydrophobicContact CD1-CB 3.61Å; I68-K76 HydrophobicContact CD1-CG 3.69Å; I68-K76 HydrophobicContact CG2-CG 4.48Å
69	N	91.6	Very high	91.9	Very high	90 Å²	90	68.3 Å²	68.3	48%	0.481	35%	0.347	S	S	.	.			trans	-95.1	167.8	176.7	-57	-65.9	0	0	0	111.7	K61 N71 E72 F73	K61-N69 PolarHBondContact NZ-OD1 2.78Å; N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 2.78Å; N69-E72 WeakPolarHBondContact CB-OE2 3.45Å; N69-E72 PolarHBondContact N-OE2 2.72Å; N69-E72 PolarHBondContact ND2-OE2 2.77Å; N69-E72 WeakPolarHBondContact O-CB 3.07Å; N69-E72 PolarHBondContact O-N 3.41Å; N69-F73 PolarHBondContact O-N 3.29Å
70	F	91.2	Very high	92	Very high	19 Å²	19	64 Å²	64	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-41.1	-174.8	-174.4	-109.3	0	0	0	113.1	K32 L34 I52 V54 F57 E72 F73	K32-F70 HydrophobicContact CB-CD1 4.49Å; K32-F70 HydrophobicContact CB-CE1 3.72Å; K32-F70 HydrophobicContact CD-CE1 4.3Å; L34-F70 HydrophobicContact CB-CZ 4.36Å; I52-F70 HydrophobicContact CG2-CE2 4.24Å; I52-F70 WeakPolarHBondContact O-CZ 3.25Å; V54-F70 HydrophobicContact CG2-CD1 3.81Å; V54-F70 HydrophobicContact CG2-CE1 3.9Å; V54-F70 HydrophobicContact CG2-CG 4.33Å; V54-F70 HydrophobicContact CG2-CZ 4.49Å; F57-F70 HydrophobicContact CB-CD2 3.48Å; F57-F70 VanDerWaalsContact CB-CD2 3.48Å; F57-F70 HydrophobicContact CB-CE2 3.9Å; F57-F70 HydrophobicContact CD1-CB 3.76Å; F57-F70 AromaticContact CD1-CD2 3.83Å; F57-F70 HydrophobicContact CD1-CD2 3.83Å; F57-F70 HydrophobicContact CD1-CG 4.28Å; F57-F70 HydrophobicContact CD2-CD2 4.03Å; F57-F70 HydrophobicContact CE1-CB 4.04Å; F57-F70 HydrophobicContact CG-CB 4.32Å; F57-F70 AromaticContact CG-CD2 3.49Å; F57-F70 HydrophobicContact CG-CD2 3.49Å; F57-F70 VanDerWaalsContact CG-CD2 3.49Å; F57-F70 HydrophobicContact CG-CE2 4.29Å; F57-F70 HydrophobicContact CG-CG 4.38Å; F70-E72 PolarHBondContact O-N 2.82Å; F70-F73 WeakPolarHBondContact O-CB 3.31Å; F70-F73 PolarHBondContact O-N 3.41Å; F70-F73 VanDerWaalsContact O-N 3.11Å
71	N	88.4	Confident	92.1	Very high	108 Å²	108	63.3 Å²	63.3	58%	0.578	32%	0.324	S	S	*	.	H	α-helix	trans	-71.1	-1.9	177.4	-60.5	-64.4	0	0	0	115	K32 N69 E74	K32-N71 WeakPolarHBondContact CE-OD1 3.48Å; K32-N71 PolarHBondContact NZ-OD1 3.28Å; N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 2.78Å; N71-E74 VanDerWaalsContact CA-OE2 3.31Å; N71-E74 WeakPolarHBondContact CA-OE2 3.18Å
72	E	90.9	Very high	92.1	Very high	92 Å²	92	63.4 Å²	63.4	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-110.4	-12.2	174.8	-60.7	168.6	124.4	0	0	110.4	I68 N69 F70 E74 K76	I68-E72 HydrophobicContact CB-CB 4.08Å; N69-E72 WeakPolarHBondContact CB-OE2 3.45Å; N69-E72 PolarHBondContact N-OE2 2.72Å; N69-E72 PolarHBondContact ND2-OE2 2.77Å; N69-E72 WeakPolarHBondContact O-CB 3.07Å; N69-E72 PolarHBondContact O-N 3.41Å; F70-E72 PolarHBondContact O-N 2.82Å; E72-E74 PolarHBondContact N-OE2 2.8Å; E72-K76 WeakPolarHBondContact O-CB 3.14Å; E72-K76 VanDerWaalsContact O-CG 3.22Å; E72-K76 WeakPolarHBondContact O-CG 3.32Å; E72-K76 PolarHBondContact O-N 3.14Å
73	F	92.7	Very high	92.1	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-73.4	-43.2	-174.2	-178.5	-115.2	0	0	0	111.3	L34 I52 F57 L66 I68 N69 F70 Q75 K76 V77 L125 L127	L34-F73 HydrophobicContact CD2-CD1 3.7Å; L34-F73 HydrophobicContact CD2-CE1 3.85Å; I52-F73 HydrophobicContact CD1-CE1 3.74Å; I52-F73 HydrophobicContact CD1-CZ 4.28Å; F57-F73 HydrophobicContact CD2-CB 4.29Å; F57-F73 AromaticContact CD2-CD1 3.97Å; F57-F73 HydrophobicContact CD2-CD1 3.97Å; F57-F73 HydrophobicContact CD2-CD2 4.21Å; F57-F73 HydrophobicContact CD2-CE1 4.35Å; F57-F73 AromaticContact CD2-CG 3.9Å; F57-F73 HydrophobicContact CD2-CG 3.9Å; F57-F73 HydrophobicContact CE2-CB 3.73Å; F57-F73 HydrophobicContact CE2-CD1 4.07Å; F57-F73 AromaticContact CE2-CD2 3.56Å; F57-F73 HydrophobicContact CE2-CD2 3.56Å; F57-F73 HydrophobicContact CE2-CE2 4.16Å; F57-F73 AromaticContact CE2-CG 3.51Å; F57-F73 HydrophobicContact CE2-CG 3.51Å; F57-F73 HydrophobicContact CZ-CB 4.19Å; F57-F73 HydrophobicContact CZ-CG 4.42Å; L66-F73 HydrophobicContact CD1-CD2 4.27Å; L66-F73 HydrophobicContact CD1-CE2 3.98Å; I68-F73 HydrophobicContact CD1-CB 4.44Å; I68-F73 HydrophobicContact CD1-CD2 4.17Å; N69-F73 PolarHBondContact O-N 3.29Å; F70-F73 WeakPolarHBondContact O-CB 3.31Å; F70-F73 PolarHBondContact O-N 3.41Å; F70-F73 VanDerWaalsContact O-N 3.11Å; F73-Q75 VanDerWaalsContact C-N 3.27Å; F73-Q75 PolarHBondContact O-N 2.75Å; F73-K76 PolarHBondContact O-N 2.7Å; F73-K76 VanDerWaalsContact O-N 3.12Å; F73-V77 HydrophobicContact CD1-CG2 4.34Å; F73-V77 HydrophobicContact CD2-CG2 4.12Å; F73-V77 HydrophobicContact CE1-CG2 3.97Å; F73-V77 HydrophobicContact CE2-CG2 3.74Å; F73-V77 HydrophobicContact CG-CG2 4.41Å; F73-V77 HydrophobicContact CZ-CG2 3.65Å; F73-V77 WeakPolarHBondContact O-CG2 3.23Å; F73-V77 PolarHBondContact O-N 2.75Å; F73-L125 HydrophobicContact CE2-CD1 3.79Å; F73-L125 HydrophobicContact CE2-CD2 4.33Å; F73-L125 HydrophobicContact CZ-CD1 4.12Å; F73-L125 HydrophobicContact CZ-CD2 4.33Å; F73-L127 HydrophobicContact CZ-CD2 4.32Å
74	E	91.2	Very high	92.2	Very high	17 Å²	17	51.5 Å²	51.5	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-42.5	178.4	64.2	-89.5	-124.3	0	0	111.6	F2 L24 K32 L34 N71 E72 A78	F2-E74 HydrophobicContact CE1-CB 4.19Å; F2-E74 HydrophobicContact CE1-CG 4.39Å; F2-E74 WeakPolarHBondContact CE1-O 3.27Å; F2-E74 HydrophobicContact CZ-CG 4.26Å; L24-E74 HydrophobicContact CD1-CB 4.17Å; L24-E74 HydrophobicContact CD1-CG 4.21Å; L24-E74 HydrophobicContact CD2-CG 4.14Å; L24-E74 HydrophobicContact CG-CG 4.5Å; K32-E74 IonicContact NZ-OE1 3.19Å; K32-E74 PolarHBondContact NZ-OE1 3.43Å; L34-E74 HydrophobicContact CD1-CB 3.68Å; L34-E74 HydrophobicContact CD2-CB 4.09Å; N71-E74 VanDerWaalsContact CA-OE2 3.31Å; N71-E74 WeakPolarHBondContact CA-OE2 3.18Å; E72-E74 PolarHBondContact N-OE2 2.8Å; E74-A78 PolarHBondContact O-N 2.78Å
75	Q	92.4	Very high	92.1	Very high	90 Å²	90	51.3 Å²	51.3	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-70.1	-40.6	176.1	-172.9	60.7	53	0	0	111.9	F73 V77 A78 D79	F73-Q75 VanDerWaalsContact C-N 3.27Å; F73-Q75 PolarHBondContact O-N 2.75Å; Q75-V77 PolarHBondContact O-N 2.94Å; Q75-A78 CarbonylContact O-C 3.52Å; Q75-A78 PolarHBondContact O-N 3.43Å; Q75-D79 PolarHBondContact NE2-OD1 2.76Å; Q75-D79 WeakPolarHBondContact O-CB 3.17Å; Q75-D79 PolarHBondContact O-N 2.65Å
76	K	93.3	Very high	92.1	Very high	99 Å²	99	55 Å²	55	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-71.3	-29.4	-178.9	-70.9	-74	160.6	-133.4	0	113.4	I68 E72 F73 D79 L80	I68-K76 HydrophobicContact CD1-CB 3.61Å; I68-K76 HydrophobicContact CD1-CG 3.69Å; I68-K76 HydrophobicContact CG2-CG 4.48Å; E72-K76 WeakPolarHBondContact O-CB 3.14Å; E72-K76 VanDerWaalsContact O-CG 3.22Å; E72-K76 WeakPolarHBondContact O-CG 3.32Å; E72-K76 PolarHBondContact O-N 3.14Å; F73-K76 PolarHBondContact O-N 2.7Å; F73-K76 VanDerWaalsContact O-N 3.12Å; K76-D79 IonicContact NZ-OD2 2.62Å; K76-D79 PolarHBondContact NZ-OD2 2.76Å; K76-L80 WeakPolarHBondContact O-CB 3.21Å; K76-L80 VanDerWaalsContact O-CG 3.31Å; K76-L80 WeakPolarHBondContact O-CG 3.27Å; K76-L80 PolarHBondContact O-N 2.72Å; K76-L80 VanDerWaalsContact O-N 3.15Å
77	V	93.4	Very high	92	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-47.8	167	-179.7	0	0	0	0	109.9	I22 I36 F73 Q75 D79 L80 L81 L125	I22-V77 HydrophobicContact CD1-CB 4.28Å; I22-V77 HydrophobicContact CD1-CG1 3.66Å; I36-V77 HydrophobicContact CD1-CG1 4.16Å; I36-V77 HydrophobicContact CD1-CG2 4.48Å; F73-V77 HydrophobicContact CD1-CG2 4.34Å; F73-V77 HydrophobicContact CD2-CG2 4.12Å; F73-V77 HydrophobicContact CE1-CG2 3.97Å; F73-V77 HydrophobicContact CE2-CG2 3.74Å; F73-V77 HydrophobicContact CG-CG2 4.41Å; F73-V77 HydrophobicContact CZ-CG2 3.65Å; F73-V77 WeakPolarHBondContact O-CG2 3.23Å; F73-V77 PolarHBondContact O-N 2.75Å; Q75-V77 PolarHBondContact O-N 2.94Å; V77-D79 PolarHBondContact O-N 2.89Å; V77-L80 PolarHBondContact O-N 3.28Å; V77-L81 HydrophobicContact CG1-CD1 4.12Å; V77-L81 HydrophobicContact CG1-CG 4.38Å; V77-L81 WeakPolarHBondContact O-CG 3.31Å; V77-L81 PolarHBondContact O-N 3.1Å; V77-L125 HydrophobicContact CG2-CD2 3.79Å
78	A	92.5	Very high	91.7	Very high	8 Å²	8	49.8 Å²	49.8	7%	0.066	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-37.9	178.5	0	0	0	0	0	113.3	F2 Y3 E74 Q75 L81 C82	F2-A78 HydrophobicContact CE1-CB 3.94Å; Y3-A78 HydrophobicContact CD2-CB 4.16Å; E74-A78 PolarHBondContact O-N 2.78Å; Q75-A78 CarbonylContact O-C 3.52Å; Q75-A78 PolarHBondContact O-N 3.43Å; A78-L81 PolarHBondContact O-N 3.14Å; A78-C82 VanDerWaalsContact O-CB 3.26Å; A78-C82 WeakPolarHBondContact O-CB 3.31Å; A78-C82 PolarHBondContact O-N 3.44Å
79	D	93.7	Very high	91.3	Very high	47 Å²	47	52.3 Å²	52.3	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-48.9	173.5	-66.9	-16.4	0	0	0	110.7	Q75 K76 V77 C82 I83	Q75-D79 PolarHBondContact NE2-OD1 2.76Å; Q75-D79 WeakPolarHBondContact O-CB 3.17Å; Q75-D79 PolarHBondContact O-N 2.65Å; K76-D79 IonicContact NZ-OD2 2.62Å; K76-D79 PolarHBondContact NZ-OD2 2.76Å; V77-D79 PolarHBondContact O-N 2.89Å; D79-C82 PolarHBondContact O-N 2.74Å; D79-I83 WeakPolarHBondContact O-CG1 3.04Å; D79-I83 PolarHBondContact O-N 2.81Å
80	L	93.4	Very high	91	Very high	30 Å²	30	52 Å²	52	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-38.5	179.3	-76	171.9	0	0	0	112.6	K76 V77 I83 C84 I113 H124	K76-L80 WeakPolarHBondContact O-CB 3.21Å; K76-L80 VanDerWaalsContact O-CG 3.31Å; K76-L80 WeakPolarHBondContact O-CG 3.27Å; K76-L80 PolarHBondContact O-N 2.72Å; K76-L80 VanDerWaalsContact O-N 3.15Å; V77-L80 PolarHBondContact O-N 3.28Å; L80-I83 PolarHBondContact O-N 2.77Å; L80-C84 PolarHBondContact O-N 3.09Å; L80-C84 PolarHBondContact O-SG 3.24Å; L80-I113 HydrophobicContact CB-CD1 3.65Å; L80-I113 HydrophobicContact CB-CG2 4.18Å; L80-I113 HydrophobicContact CD1-CD1 4.03Å; L80-I113 HydrophobicContact CD2-CG2 4.38Å; L80-I113 HydrophobicContact CG-CD1 4.47Å; L80-H124 HydrophobicContact CD1-CB 4.13Å; L80-H124 HydrophobicContact CD2-CB 4.22Å
81	L	94.5	Very high	90.5	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-40.6	172.3	-69.9	177.6	0	0	0	111.7	Y3 H7 I20 I22 V77 A78 I83 C84 S85 L97	Y3-L81 HydrophobicContact CD1-CD1 3.87Å; Y3-L81 HydrophobicContact CE1-CB 4.1Å; Y3-L81 HydrophobicContact CE1-CD1 3.77Å; H7-L81 PolarHBondContact CE1-O 3Å; H7-L81 VanDerWaalsContact CE1-O 3.3Å; I20-L81 HydrophobicContact CB-CD1 4.42Å; I20-L81 HydrophobicContact CD1-CD2 3.65Å; I20-L81 HydrophobicContact CG2-CD1 3.7Å; I22-L81 HydrophobicContact CD1-CD1 3.77Å; I22-L81 HydrophobicContact CG1-CD1 4.45Å; V77-L81 HydrophobicContact CG1-CD1 4.12Å; V77-L81 HydrophobicContact CG1-CG 4.38Å; V77-L81 WeakPolarHBondContact O-CG 3.31Å; V77-L81 PolarHBondContact O-N 3.1Å; A78-L81 PolarHBondContact O-N 3.14Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 3.48Å; L81-C84 WeakPolarHBondContact O-CB 3.48Å; L81-C84 PolarHBondContact O-N 2.81Å; L81-S85 PolarHBondContact O-N 2.86Å; L81-L97 HydrophobicContact CD2-CD1 3.86Å; L81-L97 HydrophobicContact CD2-CD2 3.79Å; L81-L97 HydrophobicContact CD2-CG 4.39Å
82	C	92.7	Very high	90.2	Very high	58 Å²	58	60.2 Å²	60.2	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-36.4	176.5	-169.7	0	0	0	0	112.1	A78 D79 Q86	A78-C82 VanDerWaalsContact O-CB 3.26Å; A78-C82 WeakPolarHBondContact O-CB 3.31Å; A78-C82 PolarHBondContact O-N 3.44Å; D79-C82 PolarHBondContact O-N 2.74Å; C82-Q86 WeakPolarHBondContact O-CG 3.33Å; C82-Q86 PolarHBondContact O-N 3.43Å; C82-Q86 PolarHBondContact O-NE2 2.72Å; C82-Q86 PolarHBondContact SG-NE2 3.42Å; C82-Q86 VanDerWaalsContact SG-NE2 3.39Å
83	I	91.7	Very high	90	Very high	60 Å²	60	58.8 Å²	58.8	31%	0.308	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-45	171.4	-67.4	163.5	0	0	0	110.6	D79 L80 L81 S85 Q86 E87 Y95	D79-I83 WeakPolarHBondContact O-CG1 3.04Å; D79-I83 PolarHBondContact O-N 2.81Å; L80-I83 PolarHBondContact O-N 2.77Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 3.48Å; I83-S85 PolarHBondContact O-N 2.8Å; I83-Q86 PolarHBondContact O-N 2.66Å; I83-E87 HydrophobicContact CG2-CG 4.41Å; I83-E87 WeakPolarHBondContact O-CG 3.15Å; I83-E87 PolarHBondContact O-N 3.22Å; I83-E87 VanDerWaalsContact O-N 3.09Å; I83-Y95 HydrophobicContact CG2-CD1 4.15Å; I83-Y95 HydrophobicContact CG2-CD2 3.35Å; I83-Y95 HydrophobicContact CG2-CE2 3.89Å; I83-Y95 HydrophobicContact CG2-CG 3.52Å
84	C	92.6	Very high	89.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57.1	-50.9	174.7	-64.4	0	0	0	0	110.9	L80 L81 Q86 E87 E88 L97	L80-C84 PolarHBondContact O-N 3.09Å; L80-C84 PolarHBondContact O-SG 3.24Å; L81-C84 WeakPolarHBondContact O-CB 3.48Å; L81-C84 PolarHBondContact O-N 2.81Å; C84-Q86 PolarHBondContact O-N 2.72Å; C84-Q86 VanDerWaalsContact O-N 3.1Å; C84-E87 CarbonylContact O-C 3.59Å; C84-E87 WeakPolarHBondContact O-CA 3.07Å; C84-E87 PolarHBondContact O-N 2.68Å; C84-E88 VanDerWaalsContact O-CG 3.23Å; C84-E88 WeakPolarHBondContact O-CG 3.24Å; C84-E88 PolarHBondContact O-N 2.67Å; C84-L97 HydrophobicContact CB-CD1 4.03Å; C84-L97 HydrophobicContact CB-CG 4.21Å
85	S	90.9	Very high	90	Very high	58 Å²	58	63.7 Å²	63.7	41%	0.406	35%	0.345	S	S	.	.	H	α-helix	trans	-57.2	-29	179.9	-175	0	0	0	0	114.3	L81 I83 E88	L81-S85 PolarHBondContact O-N 2.86Å; I83-S85 PolarHBondContact O-N 2.8Å; S85-E88 WeakPolarHBondContact CA-OE1 3.19Å; S85-E88 PolarHBondContact N-OE1 2.73Å
86	Q	90.9	Very high	90	Very high	130 Å²	130	60.3 Å²	60.3	61%	0.607	34%	0.335	S	S	*	.	H	α-helix	trans	-78.4	-35.6	173.9	-71.7	166.3	69.3	0	0	112.6	C82 I83 C84	C82-Q86 WeakPolarHBondContact O-CG 3.33Å; C82-Q86 PolarHBondContact O-N 3.43Å; C82-Q86 PolarHBondContact O-NE2 2.72Å; C82-Q86 PolarHBondContact SG-NE2 3.42Å; C82-Q86 VanDerWaalsContact SG-NE2 3.39Å; I83-Q86 PolarHBondContact O-N 2.66Å; C84-Q86 PolarHBondContact O-N 2.72Å; C84-Q86 VanDerWaalsContact O-N 3.1Å
87	E	89.3	Confident	90	Very high	36 Å²	36	55.8 Å²	55.8	17%	0.168	32%	0.315	C	S	.	.	H	α-helix	trans	-79.6	-22.9	179.5	-68.3	-91.6	177.2	0	0	112.8	I83 C84 A89 I90 P93 K94 Y95	I83-E87 HydrophobicContact CG2-CG 4.41Å; I83-E87 WeakPolarHBondContact O-CG 3.15Å; I83-E87 PolarHBondContact O-N 3.22Å; I83-E87 VanDerWaalsContact O-N 3.09Å; C84-E87 CarbonylContact O-C 3.59Å; C84-E87 WeakPolarHBondContact O-CA 3.07Å; C84-E87 PolarHBondContact O-N 2.68Å; E87-A89 PolarHBondContact O-N 3.22Å; E87-I90 WeakPolarHBondContact O-CB 3.16Å; E87-I90 PolarHBondContact O-N 2.72Å; E87-P93 HydrophobicContact CB-CB 4.3Å; E87-P93 WeakPolarHBondContact O-CB 3.27Å; E87-K94 WeakPolarHBondContact OE2-CB 3.21Å; E87-K94 PolarHBondContact OE2-N 2.8Å; E87-Y95 HydrophobicContact CG-CD2 4.1Å
88	E	86.7	Confident	90	Very high	49 Å²	49	59 Å²	59	23%	0.229	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.2	-179.9	-78.3	169.3	-137	0	0	114.8	H7 L8 C84 S85	H7-E88 VanDerWaalsContact CA-OE2 3.31Å; H7-E88 WeakPolarHBondContact CA-OE2 3.29Å; H7-E88 IonicContact CE1-OE1 3.51Å; H7-E88 IonicContact CG-OE1 2.86Å; H7-E88 IonicContact ND1-OE1 3.47Å; H7-E88 PolarHBondContact ND1-OE1 3.44Å; L8-E88 HydrophobicContact CB-CB 4.4Å; L8-E88 HydrophobicContact CB-CG 3.87Å; L8-E88 VanDerWaalsContact N-CD 3.31Å; L8-E88 PolarHBondContact N-OE2 2.78Å; C84-E88 VanDerWaalsContact O-CG 3.23Å; C84-E88 WeakPolarHBondContact O-CG 3.24Å; C84-E88 PolarHBondContact O-N 2.67Å; S85-E88 WeakPolarHBondContact CA-OE1 3.19Å; S85-E88 PolarHBondContact N-OE1 2.73Å
89	A	82.4	Confident	90.1	Very high	95 Å²	95	58.7 Å²	58.7	79%	0.785	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.7	174.5	0	0	0	0	0	114.1	E87	E87-A89 PolarHBondContact O-N 3.22Å
90	I	86.6	Confident	89.9	Confident	84 Å²	84	58.7 Å²	58.7	43%	0.431	33%	0.327	S	S	.	.	S	Bend	trans	-97.9	134.5	-174.5	-55.9	-177.1	0	0	0	109.8	E87 S92 P93	E87-I90 WeakPolarHBondContact O-CB 3.16Å; E87-I90 PolarHBondContact O-N 2.72Å; I90-S92 PolarHBondContact O-N 3.45Å; I90-P93 WeakPolarHBondContact O-CD 3.19Å
91	E	81.2	Confident	89.7	Confident	201 Å²	201	62.3 Å²	62.3	94%	0.939	34%	0.339	S	S	*	.	S	Bend	trans	-61.7	-26.6	-174.8	-173.1	175.6	-159.3	0	0	114
92	S	82.2	Confident	88.9	Confident	98 Å²	98	65.1 Å²	65.1	69%	0.685	35%	0.354	S	S	*	.	S	Bend	trans	-128.5	81.6	170.5	44.6	0	0	0	0	109.4	I90 K94	I90-S92 PolarHBondContact O-N 3.45Å; S92-K94 PolarHBondContact O-N 2.79Å
93	P	86.5	Confident	87.9	Confident	62 Å²	62	69 Å²	69	40%	0.403	38%	0.376	S	S	.	.			trans	-67.6	123.9	-171	27.7	-34	0	0	0	110.5	E87 I90	E87-P93 HydrophobicContact CB-CB 4.3Å; E87-P93 WeakPolarHBondContact O-CB 3.27Å; I90-P93 WeakPolarHBondContact O-CD 3.19Å
94	K	90.8	Very high	86.8	Confident	83 Å²	83	74.6 Å²	74.6	36%	0.361	40%	0.401	S	S	.	.	S	Bend	trans	-74.4	-30.4	178.8	-176.8	173.8	177.9	-71.5	0	111.5	E87 S92 E115 A116	E87-K94 WeakPolarHBondContact OE2-CB 3.21Å; E87-K94 PolarHBondContact OE2-N 2.8Å; S92-K94 PolarHBondContact O-N 2.79Å; K94-E115 WeakPolarHBondContact CE-OE1 3.14Å; K94-E115 HydrophobicContact CG-CG 4.31Å; K94-E115 IonicContact NZ-OE1 2.69Å; K94-E115 PolarHBondContact NZ-OE1 2.79Å; K94-E115 IonicContact NZ-OE2 2.75Å; K94-E115 CarbonylContact O-C 3.56Å; K94-E115 VanDerWaalsContact O-CA 3.23Å; K94-E115 WeakPolarHBondContact O-CA 3.48Å; K94-A116 PolarHBondContact O-N 2.76Å
95	Y	93.1	Very high	85.9	Confident	40 Å²	40	80.2 Å²	80.2	16%	0.157	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.5	170.4	-63.8	-92.1	0	0	0	110.3	I83 E87 V114 E115 H124	I83-Y95 HydrophobicContact CG2-CD1 4.15Å; I83-Y95 HydrophobicContact CG2-CD2 3.35Å; I83-Y95 HydrophobicContact CG2-CE2 3.89Å; I83-Y95 HydrophobicContact CG2-CG 3.52Å; E87-Y95 HydrophobicContact CG-CD2 4.1Å; Y95-V114 WeakPolarHBondContact CA-O 3.21Å; Y95-E115 HydrophobicContact CD1-CB 3.91Å; Y95-E115 HydrophobicContact CD1-CG 4.33Å; Y95-E115 HydrophobicContact CE1-CB 3.66Å; Y95-E115 HydrophobicContact CE1-CG 3.83Å; Y95-E115 VanDerWaalsContact CE1-OE2 3.24Å; Y95-E115 WeakPolarHBondContact CE1-OE2 3.49Å; Y95-E115 VanDerWaalsContact CZ-OE2 3.3Å; Y95-E115 PolarHBondContact OH-OE2 2.78Å; Y95-H124 AromaticContact CE1-CD2 3.99Å; Y95-H124 AromaticContact CE1-NE2 3.62Å
96	G	92.1	Very high	85	Confident	20 Å²	20	88.1 Å²	88.1	21%	0.206	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	162.4	177.3	0	0	0	0	0	113.3	V114	G96-V114 PolarHBondContact N-O 3.38Å; G96-V114 VanDerWaalsContact O-CG2 3.29Å; G96-V114 WeakPolarHBondContact O-CG2 3.22Å; G96-V114 PolarHBondContact O-N 2.83Å
97	L	93.6	Very high	84.6	Confident	4 Å²	4	87.2 Å²	87.2	2%	0.021	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.6	177.8	-73.3	155.8	0	0	0	110.1	H7 V9 S10 I20 L81 C84 L111 I113	H7-L97 HydrophobicContact CB-CD1 3.63Å; V9-L97 HydrophobicContact CB-CB 4.37Å; V9-L97 HydrophobicContact CG1-CB 4.28Å; V9-L97 HydrophobicContact CG2-CB 3.94Å; V9-L97 HydrophobicContact CG2-CD1 4.35Å; S10-L97 WeakPolarHBondContact CB-O 3.44Å; S10-L97 PolarHBondContact N-O 3.4Å; I20-L97 HydrophobicContact CD1-CD1 3.84Å; I20-L97 HydrophobicContact CD1-CD2 4.26Å; L81-L97 HydrophobicContact CD2-CD1 3.86Å; L81-L97 HydrophobicContact CD2-CD2 3.79Å; L81-L97 HydrophobicContact CD2-CG 4.39Å; C84-L97 HydrophobicContact CB-CD1 4.03Å; C84-L97 HydrophobicContact CB-CG 4.21Å; L97-L111 HydrophobicContact CD2-CD1 4.23Å; L97-I113 HydrophobicContact CD2-CG1 3.9Å
98	R	93.2	Very high	84.6	Confident	73 Å²	73	85.7 Å²	85.7	28%	0.275	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.5	173	-178.2	178.3	-66.2	154	3.4	109.3	S10 L111 Q112	S10-R98 CarbonylContact O-C 3.6Å; S10-R98 WeakPolarHBondContact O-CA 3.17Å; R98-L111 CarbonylContact O-C 3.48Å; R98-L111 WeakPolarHBondContact O-CA 3.39Å; R98-Q112 HydrophobicContact CB-CB 4.44Å; R98-Q112 PolarHBondContact N-O 2.77Å; R98-Q112 PolarHBondContact O-N 3.15Å
99	F	93.4	Very high	84.8	Confident	1 Å²	1	83.4 Å²	83.4	0%	0.004	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.7	173.1	-173.3	-123.2	0	0	0	109.6	V9 S10 F11 L38 F46 Y48 G109 L110 L111 L129	V9-F99 HydrophobicContact CG1-CB 3.57Å; S10-F99 PolarHBondContact O-N 3.37Å; F11-F99 WeakPolarHBondContact CA-O 3.46Å; F11-F99 HydrophobicContact CD2-CB 4.06Å; F11-F99 AromaticContact CD2-CD1 3.4Å; F11-F99 HydrophobicContact CD2-CD1 3.4Å; F11-F99 HydrophobicContact CD2-CE1 4.25Å; F11-F99 HydrophobicContact CD2-CG 4.12Å; F11-F99 WeakPolarHBondContact CD2-O 3.2Å; F11-F99 AromaticContact CE2-CD1 3.45Å; F11-F99 HydrophobicContact CE2-CD1 3.45Å; F11-F99 VanDerWaalsContact CE2-CD1 3.45Å; F11-F99 AromaticContact CE2-CE1 3.84Å; F11-F99 HydrophobicContact CE2-CE1 3.84Å; F11-F99 HydrophobicContact CE2-CG 4.45Å; L38-F99 HydrophobicContact CD2-CB 4.24Å; L38-F99 HydrophobicContact CD2-CD1 3.54Å; L38-F99 HydrophobicContact CD2-CD2 3.87Å; L38-F99 HydrophobicContact CD2-CE1 3.81Å; L38-F99 HydrophobicContact CD2-CE2 4.08Å; L38-F99 HydrophobicContact CD2-CG 3.62Å; L38-F99 HydrophobicContact CD2-CZ 4.08Å; F46-F99 AromaticContact CZ-CD1 3.99Å; F46-F99 HydrophobicContact CZ-CD1 3.99Å; F46-F99 AromaticContact CZ-CE1 3.79Å; F46-F99 HydrophobicContact CZ-CE1 3.79Å; Y48-F99 HydrophobicContact CD1-CE1 4.36Å; Y48-F99 AromaticContact CD1-CZ 3.63Å; Y48-F99 HydrophobicContact CD1-CZ 3.63Å; Y48-F99 AromaticContact CD2-CE1 3.78Å; Y48-F99 HydrophobicContact CD2-CE1 3.78Å; Y48-F99 AromaticContact CD2-CZ 3.84Å; Y48-F99 HydrophobicContact CD2-CZ 3.84Å; Y48-F99 AromaticContact CE1-CZ 3.98Å; Y48-F99 HydrophobicContact CE1-CZ 3.98Å; Y48-F99 AromaticContact CE2-CE1 3.95Å; Y48-F99 HydrophobicContact CE2-CE1 3.95Å; Y48-F99 HydrophobicContact CE2-CZ 4.18Å; Y48-F99 HydrophobicContact CG-CE1 4.01Å; Y48-F99 AromaticContact CG-CZ 3.56Å; Y48-F99 HydrophobicContact CG-CZ 3.56Å; F99-G109 VanDerWaalsContact CE2-C 3.42Å; F99-G109 WeakPolarHBondContact CE2-O 3.18Å; F99-L110 WeakPolarHBondContact CA-O 3.29Å; F99-L110 WeakPolarHBondContact CD2-O 2.96Å; F99-L111 HydrophobicContact CB-CD1 4.22Å; F99-L111 HydrophobicContact CD2-CB 3.91Å; F99-L111 HydrophobicContact CD2-CD1 4.31Å; F99-L111 HydrophobicContact CE2-CB 4.41Å; F99-L129 HydrophobicContact CE2-CB 4.42Å
100	S	90.2	Very high	85.3	Confident	46 Å²	46	81.4 Å²	81.4	32%	0.322	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	119	179.8	53.8	0	0	0	0	110.3	G109 L110	S100-G109 CarbonylContact O-C 3.5Å; S100-G109 VanDerWaalsContact O-CA 3.29Å; S100-G109 WeakPolarHBondContact O-CA 3.31Å; S100-L110 PolarHBondContact N-O 2.72Å; S100-L110 VanDerWaalsContact N-O 3.07Å; S100-L110 PolarHBondContact O-N 3.12Å
101	R	88.3	Confident	85.7	Confident	107 Å²	107	77.9 Å²	77.9	40%	0.404	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	141.1	169.9	-67.8	-174.9	174.5	129.4	-12	110	F11 E12 Y48	F11-R101 HydrophobicContact CE2-CG 4.2Å; F11-R101 HydrophobicContact CZ-CG 4.36Å; E12-R101 WeakPolarHBondContact OE1-CD 3.46Å; E12-R101 IonicContact OE1-CZ 3.85Å; E12-R101 IonicContact OE1-NE 2.68Å; E12-R101 IonicContact OE1-NH1 2.66Å; E12-R101 PolarHBondContact OE1-NH1 2.87Å; E12-R101 IonicContact OE2-NH1 2.74Å; Y48-R101 PolarHBondContact OH-NE 2.79Å
102	N	78.4	Confident	86.3	Confident	62 Å²	62	69.5 Å²	69.5	33%	0.332	35%	0.349	S	S	.	.			trans	-71.4	142.9	170.3	-167.5	-6.7	0	0	0	109	E104 E105 C108	N102-E104 PolarHBondContact OD1-N 3.48Å; N102-E105 WeakPolarHBondContact ND2-CB 3.29Å; N102-E105 PolarHBondContact ND2-N 2.8Å; N102-E105 PolarHBondContact ND2-OE2 3.42Å; N102-C108 WeakPolarHBondContact CB-SG 3.16Å; N102-C108 PolarHBondContact N-O 2.71Å
103	T	71.4	Confident	86.9	Confident	139 Å²	139	65.1 Å²	65.1	85%	0.853	32%	0.318	S	S	*	.	S	Bend	trans	-93.4	-17.3	174.9	45.9	0	0	0	0	113
104	E	69.7	Low	87.2	Confident	179 Å²	179	62.6 Å²	62.6	84%	0.836	30%	0.301	S	S	*	.	S	Bend	trans	-98.1	-48.9	-175.3	-59.8	-173.3	174.6	0	0	111.5	N102	N102-E104 PolarHBondContact OD1-N 3.48Å
105	E	73	Confident	87.4	Confident	118 Å²	118	60 Å²	60	55%	0.551	29%	0.29	S	S	*	.	S	Bend	trans	-91.6	127.7	170.5	-60.5	176.5	142.2	0	0	110	N102 C108	N102-E105 WeakPolarHBondContact ND2-CB 3.29Å; N102-E105 PolarHBondContact ND2-N 2.8Å; N102-E105 PolarHBondContact ND2-OE2 3.42Å; E105-C108 PolarHBondContact OE2-SG 2.74Å
106	R	71.4	Confident	87.2	Confident	223 Å²	223	59.8 Å²	59.8	84%	0.842	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	153.9	171	-66.6	-171.4	-178.6	-170	0.8	110.5	C108	R106-C108 PolarHBondContact O-N 2.64Å; R106-C108 VanDerWaalsContact O-N 3.1Å
107	D	82.7	Confident	87.1	Confident	111 Å²	111	61.4 Å²	61.4	59%	0.594	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	24.6	165.4	-48.3	-40.4	0	0	0	114.5	Y130 A131	D107-Y130 CarbonylContact O-C 3.57Å; D107-Y130 VanDerWaalsContact O-CA 3.32Å; D107-Y130 WeakPolarHBondContact O-CA 3.28Å; D107-A131 HydrophobicContact CB-CB 4.11Å; D107-A131 PolarHBondContact O-N 2.76Å
108	C	89.1	Confident	86.7	Confident	4 Å²	4	70 Å²	70	3%	0.027	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.1	165.1	81.4	0	0	0	0	113	N102 E105 R106 T128 L129 Y130	N102-C108 WeakPolarHBondContact CB-SG 3.16Å; N102-C108 PolarHBondContact N-O 2.71Å; E105-C108 PolarHBondContact OE2-SG 2.74Å; R106-C108 PolarHBondContact O-N 2.64Å; R106-C108 VanDerWaalsContact O-N 3.1Å; C108-T128 HydrophobicContact CB-CG2 3.86Å; C108-L129 CarbonylContact C-O 3.56Å; C108-L129 VanDerWaalsContact CA-O 3.27Å; C108-L129 WeakPolarHBondContact CA-O 3.16Å; C108-Y130 HydrophobicContact CB-CD1 3.73Å; C108-Y130 HydrophobicContact CB-CE1 3.9Å
109	G	91.2	Very high	86.3	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	143	177.9	0	0	0	0	0	111.9	F99 S100 L129	F99-G109 VanDerWaalsContact CE2-C 3.42Å; F99-G109 WeakPolarHBondContact CE2-O 3.18Å; S100-G109 CarbonylContact O-C 3.5Å; S100-G109 VanDerWaalsContact O-CA 3.29Å; S100-G109 WeakPolarHBondContact O-CA 3.31Å; G109-L129 PolarHBondContact N-O 2.79Å; G109-L129 PolarHBondContact O-N 2.83Å
110	L	93.2	Very high	86.2	Confident	53 Å²	53	81.5 Å²	81.5	28%	0.277	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.1	-174.5	-167.6	69	0	0	0	110.2	F99 S100 Q112 L127	F99-L110 WeakPolarHBondContact CA-O 3.29Å; F99-L110 WeakPolarHBondContact CD2-O 2.96Å; S100-L110 PolarHBondContact N-O 2.72Å; S100-L110 VanDerWaalsContact N-O 3.07Å; S100-L110 PolarHBondContact O-N 3.12Å; L110-Q112 HydrophobicContact CD2-CG 3.92Å; L110-Q112 HydrophobicContact CG-CG 3.82Å; L110-L127 WeakPolarHBondContact CA-O 3.44Å
111	L	94.3	Very high	86.1	Confident	11 Å²	11	85.5 Å²	85.5	6%	0.058	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.8	171.1	-178.8	64.4	0	0	0	109.3	L97 R98 F99 S126 L127 L129	L97-L111 HydrophobicContact CD2-CD1 4.23Å; R98-L111 CarbonylContact O-C 3.48Å; R98-L111 WeakPolarHBondContact O-CA 3.39Å; F99-L111 HydrophobicContact CB-CD1 4.22Å; F99-L111 HydrophobicContact CD2-CB 3.91Å; F99-L111 HydrophobicContact CD2-CD1 4.31Å; F99-L111 HydrophobicContact CE2-CB 4.41Å; L111-S126 CarbonylContact O-C 3.5Å; L111-S126 WeakPolarHBondContact O-CA 3.22Å; L111-L127 PolarHBondContact N-O 2.69Å; L111-L127 PolarHBondContact O-N 3.35Å; L111-L129 HydrophobicContact CB-CD1 3.59Å; L111-L129 HydrophobicContact CB-CD2 4.49Å; L111-L129 HydrophobicContact CD2-CD1 4.16Å; L111-L129 HydrophobicContact CD2-CD2 4.23Å
112	Q	93.8	Very high	86.3	Confident	25 Å²	25	83.6 Å²	83.6	12%	0.117	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.9	-177.4	-49.1	-165.5	-67.9	0	0	111	R98 L110 V114 H123 L125 S126	R98-Q112 HydrophobicContact CB-CB 4.44Å; R98-Q112 PolarHBondContact N-O 2.77Å; R98-Q112 PolarHBondContact O-N 3.15Å; L110-Q112 HydrophobicContact CD2-CG 3.92Å; L110-Q112 HydrophobicContact CG-CG 3.82Å; Q112-V114 HydrophobicContact CB-CG1 4.1Å; Q112-H123 PolarHBondContact NE2-CE1 3.49Å; Q112-H123 VanDerWaalsContact NE2-CE1 3.32Å; Q112-H123 PolarHBondContact NE2-ND1 3.25Å; Q112-H123 PolarHBondContact OE1-CE1 2.74Å; Q112-H123 VanDerWaalsContact OE1-CE1 3.26Å; Q112-L125 WeakPolarHBondContact CA-O 3.3Å; Q112-S126 WeakPolarHBondContact CG-OG 3.23Å; Q112-S126 PolarHBondContact NE2-OG 3.41Å
113	I	95.1	Very high	87	Confident	5 Å²	5	85 Å²	85	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.9	165.3	-52.9	-173.5	0	0	0	106.5	L80 L97 H124 L125	L80-I113 HydrophobicContact CB-CD1 3.65Å; L80-I113 HydrophobicContact CB-CG2 4.18Å; L80-I113 HydrophobicContact CD1-CD1 4.03Å; L80-I113 HydrophobicContact CD2-CG2 4.38Å; L80-I113 HydrophobicContact CG-CD1 4.47Å; L97-I113 HydrophobicContact CD2-CG1 3.9Å; I113-H124 HydrophobicContact CB-CB 4.43Å; I113-H124 HydrophobicContact CG2-CB 4.33Å; I113-H124 PolarHBondContact O-N 2.71Å; I113-L125 HydrophobicContact CB-CB 4.23Å; I113-L125 HydrophobicContact CD1-CB 4.19Å; I113-L125 HydrophobicContact CD1-CD2 4.05Å; I113-L125 HydrophobicContact CG1-CB 4.16Å; I113-L125 PolarHBondContact N-O 3.37Å
114	V	93.5	Very high	88	Confident	9 Å²	9	81.4 Å²	81.4	6%	0.055	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.4	-175.1	-67.5	0	0	0	0	112	Y95 G96 Q112 Y121 L122 H123	Y95-V114 WeakPolarHBondContact CA-O 3.21Å; G96-V114 PolarHBondContact N-O 3.38Å; G96-V114 VanDerWaalsContact O-CG2 3.29Å; G96-V114 WeakPolarHBondContact O-CG2 3.22Å; G96-V114 PolarHBondContact O-N 2.83Å; Q112-V114 HydrophobicContact CB-CG1 4.1Å; V114-Y121 HydrophobicContact CB-CD1 4.46Å; V114-Y121 HydrophobicContact CG2-CD1 4.48Å; V114-L122 CarbonylContact C-O 3.58Å; V114-L122 WeakPolarHBondContact CA-O 3.26Å; V114-H123 WeakPolarHBondContact CG1-ND1 3.09Å
115	E	94	Very high	89.2	Confident	28 Å²	28	73.2 Å²	73.2	13%	0.131	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.6	166.4	175.9	176.5	165.3	0	0	109.6	K94 Y95 T117 Y121 L122 H124	K94-E115 WeakPolarHBondContact CE-OE1 3.14Å; K94-E115 HydrophobicContact CG-CG 4.31Å; K94-E115 IonicContact NZ-OE1 2.69Å; K94-E115 PolarHBondContact NZ-OE1 2.79Å; K94-E115 IonicContact NZ-OE2 2.75Å; K94-E115 CarbonylContact O-C 3.56Å; K94-E115 VanDerWaalsContact O-CA 3.23Å; K94-E115 WeakPolarHBondContact O-CA 3.48Å; Y95-E115 HydrophobicContact CD1-CB 3.91Å; Y95-E115 HydrophobicContact CD1-CG 4.33Å; Y95-E115 HydrophobicContact CE1-CB 3.66Å; Y95-E115 HydrophobicContact CE1-CG 3.83Å; Y95-E115 VanDerWaalsContact CE1-OE2 3.24Å; Y95-E115 WeakPolarHBondContact CE1-OE2 3.49Å; Y95-E115 VanDerWaalsContact CZ-OE2 3.3Å; Y95-E115 PolarHBondContact OH-OE2 2.78Å; E115-T117 HydrophobicContact CG-CG2 4.33Å; E115-Y121 CarbonylContact O-C 3.54Å; E115-Y121 WeakPolarHBondContact O-CA 3.48Å; E115-L122 HydrophobicContact CB-CB 4.34Å; E115-L122 PolarHBondContact N-O 3.36Å; E115-L122 PolarHBondContact O-N 2.71Å; E115-H124 WeakPolarHBondContact CB-NE2 3.13Å; E115-H124 IonicContact OE2-CD2 2.72Å; E115-H124 IonicContact OE2-CE1 2.78Å; E115-H124 PolarHBondContact OE2-CE1 3.42Å; E115-H124 IonicContact OE2-NE2 3.94Å; E115-H124 PolarHBondContact OE2-NE2 3.21Å
116	A	90.4	Very high	90.2	Very high	36 Å²	36	68.6 Å²	68.6	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.9	170.2	0	0	0	0	0	109.8	K94 Y121	K94-A116 PolarHBondContact O-N 2.76Å; A116-Y121 HydrophobicContact CB-CD1 4.19Å; A116-Y121 HydrophobicContact CB-CE1 3.9Å
117	T	89.1	Confident	91.2	Very high	55 Å²	55	58.2 Å²	58.2	34%	0.337	29%	0.289	S	S	.	.			trans	-109.2	159.2	167.5	76.6	0	0	0	0	109.6	E115 F119 K120	E115-T117 HydrophobicContact CG-CG2 4.33Å; T117-F119 PolarHBondContact O-N 2.72Å; T117-K120 WeakPolarHBondContact CB-O 3.46Å; T117-K120 PolarHBondContact N-O 3.49Å; T117-K120 PolarHBondContact O-N 3.41Å; T117-K120 PolarHBondContact OG1-N 2.68Å; T117-K120 PolarHBondContact OG1-O 2.72Å
118	N	85.3	Confident	91.8	Very high	183 Å²	183	55.2 Å²	55.2	98%	0.979	28%	0.275	S	S	*	.	S	Bend	trans	-56.7	-9.3	-177.9	-60.1	2.6	0	0	0	115.5
119	F	85.8	Confident	92	Very high	195 Å²	195	55 Å²	55	86%	0.855	27%	0.274	S	S	*	.	S	Bend	trans	-124.2	-28.9	-179.7	-176	-104.6	0	0	0	114.1	T117	T117-F119 PolarHBondContact O-N 2.72Å
120	K	90.2	Very high	92.1	Very high	122 Å²	122	61 Å²	61	53%	0.53	30%	0.297	S	S	.	.			trans	-158.2	162.2	-177.2	64.4	171.1	-174.9	171.9	0	112.5	T117	T117-K120 WeakPolarHBondContact CB-O 3.46Å; T117-K120 PolarHBondContact N-O 3.49Å; T117-K120 PolarHBondContact O-N 3.41Å; T117-K120 PolarHBondContact OG1-N 2.68Å; T117-K120 PolarHBondContact OG1-O 2.72Å
121	Y	89.1	Confident	92.1	Very high	130 Å²	130	59.8 Å²	59.8	51%	0.51	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	138.9	158.2	-63	-77.7	0	0	0	110.2	V114 E115 A116	V114-Y121 HydrophobicContact CB-CD1 4.46Å; V114-Y121 HydrophobicContact CG2-CD1 4.48Å; E115-Y121 CarbonylContact O-C 3.54Å; E115-Y121 WeakPolarHBondContact O-CA 3.48Å; A116-Y121 HydrophobicContact CB-CD1 4.19Å; A116-Y121 HydrophobicContact CB-CE1 3.9Å
122	L	92.3	Very high	91.9	Very high	67 Å²	67	60.2 Å²	60.2	35%	0.351	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.6	170.2	179.7	68.7	0	0	0	108	V114 E115	V114-L122 CarbonylContact C-O 3.58Å; V114-L122 WeakPolarHBondContact CA-O 3.26Å; E115-L122 HydrophobicContact CB-CB 4.34Å; E115-L122 PolarHBondContact N-O 3.36Å; E115-L122 PolarHBondContact O-N 2.71Å
123	H	92.1	Very high	91.8	Very high	91 Å²	91	62.4 Å²	62.4	42%	0.421	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.2	177.3	-60.6	-94.8	0	0	0	108.6	Q112 V114	Q112-H123 PolarHBondContact NE2-CE1 3.49Å; Q112-H123 VanDerWaalsContact NE2-CE1 3.32Å; Q112-H123 PolarHBondContact NE2-ND1 3.25Å; Q112-H123 PolarHBondContact OE1-CE1 2.74Å; Q112-H123 VanDerWaalsContact OE1-CE1 3.26Å; V114-H123 WeakPolarHBondContact CG1-ND1 3.09Å
124	H	92.9	Very high	91.7	Very high	63 Å²	63	68.8 Å²	68.8	29%	0.292	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-32.3	175.1	-79.6	-83.9	0	0	0	112.1	L80 Y95 I113 E115	L80-H124 HydrophobicContact CD1-CB 4.13Å; L80-H124 HydrophobicContact CD2-CB 4.22Å; Y95-H124 AromaticContact CE1-CD2 3.99Å; Y95-H124 AromaticContact CE1-NE2 3.62Å; I113-H124 HydrophobicContact CB-CB 4.43Å; I113-H124 HydrophobicContact CG2-CB 4.33Å; I113-H124 PolarHBondContact O-N 2.71Å; E115-H124 WeakPolarHBondContact CB-NE2 3.13Å; E115-H124 IonicContact OE2-CD2 2.72Å; E115-H124 IonicContact OE2-CE1 2.78Å; E115-H124 PolarHBondContact OE2-CE1 3.42Å; E115-H124 IonicContact OE2-NE2 3.94Å; E115-H124 PolarHBondContact OE2-NE2 3.21Å
125	L	94.3	Very high	91.7	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148.6	178.3	-170	65.6	0	0	0	109.1	L66 F73 V77 Q112 I113 L127	L66-L125 HydrophobicContact CD1-CD1 4.4Å; F73-L125 HydrophobicContact CE2-CD1 3.79Å; F73-L125 HydrophobicContact CE2-CD2 4.33Å; F73-L125 HydrophobicContact CZ-CD1 4.12Å; F73-L125 HydrophobicContact CZ-CD2 4.33Å; V77-L125 HydrophobicContact CG2-CD2 3.79Å; Q112-L125 WeakPolarHBondContact CA-O 3.3Å; I113-L125 HydrophobicContact CB-CB 4.23Å; I113-L125 HydrophobicContact CD1-CB 4.19Å; I113-L125 HydrophobicContact CD1-CD2 4.05Å; I113-L125 HydrophobicContact CG1-CB 4.16Å; I113-L125 PolarHBondContact N-O 3.37Å; L125-L127 HydrophobicContact CD1-CD2 4.17Å; L125-L127 HydrophobicContact CD1-CG 4.45Å; L125-L127 HydrophobicContact CD2-CD1 3.98Å; L125-L127 HydrophobicContact CD2-CG 4.09Å; L125-L127 HydrophobicContact CG-CD1 4.47Å; L125-L127 HydrophobicContact CG-CD2 4.3Å; L125-L127 HydrophobicContact CG-CG 4.03Å
126	S	94.3	Very high	91.5	Very high	20 Å²	20	77.1 Å²	77.1	14%	0.14	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	106.1	173.4	-70.7	0	0	0	0	110.3	Q64 L111 Q112	Q64-S126 PolarHBondContact NE2-O 2.81Å; Q64-S126 PolarHBondContact OE1-O 2.97Å; L111-S126 CarbonylContact O-C 3.5Å; L111-S126 WeakPolarHBondContact O-CA 3.22Å; Q112-S126 WeakPolarHBondContact CG-OG 3.23Å; Q112-S126 PolarHBondContact NE2-OG 3.41Å
127	L	93.8	Very high	91.6	Very high	5 Å²	5	76.1 Å²	76.1	3%	0.026	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.6	-176.7	-61.1	178.7	0	0	0	110.8	I36 I50 I52 I60 F73 L110 L111 L125 L129	I36-L127 HydrophobicContact CD1-CD1 3.56Å; I50-L127 HydrophobicContact CD1-CB 4.38Å; I50-L127 HydrophobicContact CG2-CD1 4.38Å; I52-L127 HydrophobicContact CD1-CD1 4.11Å; I52-L127 HydrophobicContact CD1-CD2 4.07Å; I60-L127 HydrophobicContact CD1-CD2 4.31Å; I60-L127 HydrophobicContact CG2-CD2 4.4Å; F73-L127 HydrophobicContact CZ-CD2 4.32Å; L110-L127 WeakPolarHBondContact CA-O 3.44Å; L111-L127 PolarHBondContact N-O 2.69Å; L111-L127 PolarHBondContact O-N 3.35Å; L125-L127 HydrophobicContact CD1-CD2 4.17Å; L125-L127 HydrophobicContact CD1-CG 4.45Å; L125-L127 HydrophobicContact CD2-CD1 3.98Å; L125-L127 HydrophobicContact CD2-CG 4.09Å; L125-L127 HydrophobicContact CG-CD1 4.47Å; L125-L127 HydrophobicContact CG-CD2 4.3Å; L125-L127 HydrophobicContact CG-CG 4.03Å; L127-L129 HydrophobicContact CB-CD1 3.77Å; L127-L129 WeakPolarHBondContact O-CD1 3.39Å; L127-L129 PolarHBondContact O-N 3.5Å
128	T	93.5	Very high	91.9	Very high	48 Å²	48	79 Å²	79	29%	0.294	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	101.3	172.5	-55.3	0	0	0	0	109	I50 C108 Y130	I50-T128 WeakPolarHBondContact CD1-O 3.02Å; C108-T128 HydrophobicContact CB-CG2 3.86Å; T128-Y130 HydrophobicContact CG2-CE1 4.29Å
129	L	93.8	Very high	92.3	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	145.3	172.3	-73.6	62.5	0	0	0	109.2	L38 Y48 I50 F99 C108 G109 L111 L127	L38-L129 HydrophobicContact CB-CD2 3.78Å; Y48-L129 HydrophobicContact CD1-CB 4.44Å; I50-L129 HydrophobicContact CB-CD1 4.35Å; I50-L129 HydrophobicContact CB-CG 4.12Å; I50-L129 HydrophobicContact CG2-CD1 3.94Å; I50-L129 HydrophobicContact CG2-CG 3.99Å; F99-L129 HydrophobicContact CE2-CB 4.42Å; C108-L129 CarbonylContact C-O 3.56Å; C108-L129 VanDerWaalsContact CA-O 3.27Å; C108-L129 WeakPolarHBondContact CA-O 3.16Å; G109-L129 PolarHBondContact N-O 2.79Å; G109-L129 PolarHBondContact O-N 2.83Å; L111-L129 HydrophobicContact CB-CD1 3.59Å; L111-L129 HydrophobicContact CB-CD2 4.49Å; L111-L129 HydrophobicContact CD2-CD1 4.16Å; L111-L129 HydrophobicContact CD2-CD2 4.23Å; L127-L129 HydrophobicContact CB-CD1 3.77Å; L127-L129 WeakPolarHBondContact O-CD1 3.39Å; L127-L129 PolarHBondContact O-N 3.5Å
130	Y	93.2	Very high	92.5	Very high	127 Å²	127	67.5 Å²	67.5	50%	0.498	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.6	175.3	-58.3	-82.5	0	0	0	109.6	Y48 S49 D107 C108 T128	Y48-Y130 CarbonylContact C-O 3.6Å; Y48-Y130 VanDerWaalsContact CA-O 3.28Å; Y48-Y130 WeakPolarHBondContact CA-O 3.14Å; S49-Y130 PolarHBondContact N-O 2.75Å; S49-Y130 PolarHBondContact O-N 3.22Å; D107-Y130 CarbonylContact O-C 3.57Å; D107-Y130 VanDerWaalsContact O-CA 3.32Å; D107-Y130 WeakPolarHBondContact O-CA 3.28Å; C108-Y130 HydrophobicContact CB-CD1 3.73Å; C108-Y130 HydrophobicContact CB-CE1 3.9Å; T128-Y130 HydrophobicContact CG2-CE1 4.29Å
131	A	93	Very high	92.7	Very high	27 Å²	27	64.4 Å²	64.4	22%	0.223	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.4	170.7	0	0	0	0	0	108.7	Y48 D107 D133	Y48-A131 HydrophobicContact CD1-CB 4.13Å; Y48-A131 HydrophobicContact CE1-CB 3.67Å; D107-A131 HydrophobicContact CB-CB 4.11Å; D107-A131 PolarHBondContact O-N 2.76Å; A131-D133 PolarHBondContact O-N 2.78Å
132	A	91.1	Very high	92.9	Very high	20 Å²	20	60.9 Å²	60.9	17%	0.165	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-69.4	131.8	174.1	0	0	0	0	0	110.9	L47 K136 L137	L47-A132 HydrophobicContact CB-CB 4Å; L47-A132 HydrophobicContact CD2-CB 3.44Å; L47-A132 VanDerWaalsContact CD2-CB 3.44Å; L47-A132 HydrophobicContact CG-CB 3.52Å; L47-A132 PolarHBondContact O-N 2.79Å; A132-K136 HydrophobicContact CB-CB 3.79Å; A132-K136 HydrophobicContact CB-CD 4.42Å; A132-L137 HydrophobicContact CB-CB 4.49Å
133	D	91.5	Very high	92.8	Very high	71 Å²	71	60.6 Å²	60.6	38%	0.38	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-61.9	161.4	161.7	53.2	76.7	0	0	0	111.7	A131 E135 K136 L137	A131-D133 PolarHBondContact O-N 2.78Å; D133-E135 PolarHBondContact O-N 2.81Å; D133-E135 WeakPolarHBondContact OD1-CB 3.21Å; D133-E135 PolarHBondContact OD1-N 2.75Å; D133-K136 PolarHBondContact O-N 3.42Å; D133-K136 VanDerWaalsContact O-N 3.16Å; D133-K136 WeakPolarHBondContact OD1-CG 3.13Å; D133-K136 PolarHBondContact OD1-N 2.74Å; D133-K136 VanDerWaalsContact OD2-CD 3.31Å; D133-K136 WeakPolarHBondContact OD2-CD 3.02Å; D133-K136 VanDerWaalsContact OD2-CE 3.26Å; D133-K136 WeakPolarHBondContact OD2-CE 3.37Å; D133-K136 IonicContact OD2-NZ 3.42Å; D133-K136 PolarHBondContact OD2-NZ 3.22Å; D133-L137 WeakPolarHBondContact O-CB 3.29Å; D133-L137 PolarHBondContact O-N 3.36Å
134	D	92.9	Very high	92.7	Very high	139 Å²	139	58.8 Å²	58.8	74%	0.743	31%	0.306	S	S	*	.	H	α-helix	trans	-54.7	-26.4	-179.9	-71.9	-26.3	0	0	0	113.3	K138	D134-K138 WeakPolarHBondContact O-CB 3.28Å; D134-K138 PolarHBondContact O-N 2.92Å
135	E	93.1	Very high	92.8	Very high	115 Å²	115	61.9 Å²	61.9	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-75.2	-50.6	177.6	176.3	129.8	-97.7	0	0	111.6	D133 L137 K138 L139	D133-E135 PolarHBondContact O-N 2.81Å; D133-E135 WeakPolarHBondContact OD1-CB 3.21Å; D133-E135 PolarHBondContact OD1-N 2.75Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.89Å; E135-K138 PolarHBondContact O-N 2.83Å; E135-K138 IonicContact OE1-NZ 2.66Å; E135-K138 PolarHBondContact OE1-NZ 3.37Å; E135-L139 HydrophobicContact CG-CD1 4.06Å; E135-L139 WeakPolarHBondContact O-CB 3.47Å; E135-L139 VanDerWaalsContact O-CG 3.24Å; E135-L139 WeakPolarHBondContact O-CG 3.21Å; E135-L139 PolarHBondContact O-N 2.81Å
136	K	90.6	Very high	92.8	Very high	97 Å²	97	69.4 Å²	69.4	42%	0.422	36%	0.356	S	S	.	.	H	α-helix	trans	-57.5	-43.9	172.2	-72.7	179	-168.2	123.4	0	111.6	A132 D133 L139 F140	A132-K136 HydrophobicContact CB-CB 3.79Å; A132-K136 HydrophobicContact CB-CD 4.42Å; D133-K136 PolarHBondContact O-N 3.42Å; D133-K136 VanDerWaalsContact O-N 3.16Å; D133-K136 WeakPolarHBondContact OD1-CG 3.13Å; D133-K136 PolarHBondContact OD1-N 2.74Å; D133-K136 VanDerWaalsContact OD2-CD 3.31Å; D133-K136 WeakPolarHBondContact OD2-CD 3.02Å; D133-K136 VanDerWaalsContact OD2-CE 3.26Å; D133-K136 WeakPolarHBondContact OD2-CE 3.37Å; D133-K136 IonicContact OD2-NZ 3.42Å; D133-K136 PolarHBondContact OD2-NZ 3.22Å; K136-L139 PolarHBondContact O-N 2.69Å; K136-F140 WeakPolarHBondContact O-CB 3.44Å; K136-F140 PolarHBondContact O-N 2.71Å
137	L	92.8	Very high	92.6	Very high	15 Å²	15	73.3 Å²	73.3	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-63.4	-48.9	179.4	-174.7	64.5	0	0	0	111.7	Y45 L47 A132 D133 E135 L139 F140 L141	Y45-L137 HydrophobicContact CD1-CD2 3.85Å; L47-L137 HydrophobicContact CB-CD1 3.84Å; L47-L137 HydrophobicContact CD2-CD1 4.06Å; A132-L137 HydrophobicContact CB-CB 4.49Å; D133-L137 WeakPolarHBondContact O-CB 3.29Å; D133-L137 PolarHBondContact O-N 3.36Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.89Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 3.46Å; L137-F140 PolarHBondContact O-N 2.93Å; L137-L141 HydrophobicContact CD1-CD1 4.26Å; L137-L141 HydrophobicContact CD1-CG 4.4Å; L137-L141 HydrophobicContact CG-CD1 4.06Å; L137-L141 WeakPolarHBondContact O-CB 2.99Å; L137-L141 WeakPolarHBondContact O-CG 3.46Å; L137-L141 PolarHBondContact O-N 3.23Å
138	K	94.5	Very high	92.5	Very high	115 Å²	115	78 Å²	78	50%	0.5	39%	0.392	S	S	.	.	H	α-helix	trans	-55.5	-43	173.1	172.4	-168.7	72.8	-162.6	0	112.1	D134 E135 A142	D134-K138 WeakPolarHBondContact O-CB 3.28Å; D134-K138 PolarHBondContact O-N 2.92Å; E135-K138 PolarHBondContact O-N 2.83Å; E135-K138 IonicContact OE1-NZ 2.66Å; E135-K138 PolarHBondContact OE1-NZ 3.37Å; K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.4Å
139	L	92.8	Very high	92.6	Very high	109 Å²	109	82 Å²	82	57%	0.571	41%	0.406	S	S	*	.	H	α-helix	trans	-67	-44.3	177.8	-73.1	168.1	0	0	0	112.1	E135 K136 L137 A142 S143	E135-L139 HydrophobicContact CG-CD1 4.06Å; E135-L139 WeakPolarHBondContact O-CB 3.47Å; E135-L139 VanDerWaalsContact O-CG 3.24Å; E135-L139 WeakPolarHBondContact O-CG 3.21Å; E135-L139 PolarHBondContact O-N 2.81Å; K136-L139 PolarHBondContact O-N 2.69Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 3.46Å; L139-A142 PolarHBondContact O-N 2.7Å; L139-S143 WeakPolarHBondContact O-CB 3.37Å; L139-S143 PolarHBondContact O-N 3.02Å
140	F	91	Very high	92.6	Very high	29 Å²	29	85 Å²	85	13%	0.127	43%	0.43	C	S	.	.	H	α-helix	trans	-59.6	-52.7	175.8	174.7	-101.9	0	0	0	111.5	T39 L47 K136 L137 A142 S143 R144	T39-F140 HydrophobicContact CG2-CE1 3.98Å; T39-F140 HydrophobicContact CG2-CE2 4.26Å; T39-F140 HydrophobicContact CG2-CZ 3.72Å; L47-F140 HydrophobicContact CD2-CB 3.76Å; L47-F140 HydrophobicContact CD2-CD1 4.27Å; L47-F140 HydrophobicContact CD2-CG 4.01Å; K136-F140 WeakPolarHBondContact O-CB 3.44Å; K136-F140 PolarHBondContact O-N 2.71Å; L137-F140 PolarHBondContact O-N 2.93Å; F140-A142 PolarHBondContact O-N 2.74Å; F140-S143 WeakPolarHBondContact O-CB 3.11Å; F140-S143 PolarHBondContact O-N 2.86Å; F140-S143 VanDerWaalsContact O-N 3.08Å; F140-S143 PolarHBondContact O-OG 2.77Å; F140-R144 HydrophobicContact CE1-CG 4.1Å; F140-R144 HydrophobicContact CE2-CG 4.03Å; F140-R144 HydrophobicContact CZ-CG 3.79Å; F140-R144 PolarHBondContact O-N 3.43Å
141	L	93.3	Very high	92.7	Very high	57 Å²	57	82.7 Å²	82.7	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-40.8	179.9	-66.8	174.6	0	0	0	111.9	F44 L137 S143 R144 L145	F44-L141 HydrophobicContact CB-CD2 4.12Å; F44-L141 HydrophobicContact CD1-CD2 4.13Å; L137-L141 HydrophobicContact CD1-CD1 4.26Å; L137-L141 HydrophobicContact CD1-CG 4.4Å; L137-L141 HydrophobicContact CG-CD1 4.06Å; L137-L141 WeakPolarHBondContact O-CB 2.99Å; L137-L141 WeakPolarHBondContact O-CG 3.46Å; L137-L141 PolarHBondContact O-N 3.23Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.64Å; L141-R144 PolarHBondContact O-N 3.15Å; L141-L145 VanDerWaalsContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CB 3.4Å; L141-L145 PolarHBondContact O-N 2.76Å
142	A	94.5	Very high	92.9	Very high	55 Å²	55	84.2 Å²	84.2	46%	0.455	43%	0.433	S	S	.	.	H	α-helix	trans	-62.2	-36.5	173.7	0	0	0	0	0	112.6	K138 L139 F140 K146	K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.4Å; L139-A142 PolarHBondContact O-N 2.7Å; F140-A142 PolarHBondContact O-N 2.74Å; A142-K146 VanDerWaalsContact O-CB 3.26Å; A142-K146 WeakPolarHBondContact O-CB 3.34Å; A142-K146 PolarHBondContact O-N 2.67Å
143	S	91	Very high	93.1	Very high	62 Å²	62	86.6 Å²	86.6	43%	0.434	44%	0.443	S	S	.	.	H	α-helix	trans	-68.4	-44.6	176.8	81.5	0	0	0	0	112.5	L139 F140 L141 K146 K147	L139-S143 WeakPolarHBondContact O-CB 3.37Å; L139-S143 PolarHBondContact O-N 3.02Å; F140-S143 WeakPolarHBondContact O-CB 3.11Å; F140-S143 PolarHBondContact O-N 2.86Å; F140-S143 VanDerWaalsContact O-N 3.08Å; F140-S143 PolarHBondContact O-OG 2.77Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.64Å; S143-K146 PolarHBondContact O-N 2.73Å; S143-K147 PolarHBondContact O-N 3.24Å
144	R	89.9	Confident	93.4	Very high	53 Å²	53	85.8 Å²	85.8	20%	0.2	45%	0.446	C	S	.	.	H	α-helix	trans	-65.7	-43	177.5	-73.8	-79.4	178.8	154.9	-5.7	111.3	D21 F140 L141 K146 K147 H148	D21-R144 VanDerWaalsContact CG-NH2 3.34Å; D21-R144 IonicContact OD1-NH2 3.77Å; D21-R144 PolarHBondContact OD1-NH2 2.65Å; D21-R144 VanDerWaalsContact OD1-NH2 3.17Å; D21-R144 IonicContact OD2-CZ 3.83Å; D21-R144 IonicContact OD2-NH2 2.62Å; D21-R144 PolarHBondContact OD2-NH2 3.41Å; F140-R144 HydrophobicContact CE1-CG 4.1Å; F140-R144 HydrophobicContact CE2-CG 4.03Å; F140-R144 HydrophobicContact CZ-CG 3.79Å; F140-R144 PolarHBondContact O-N 3.43Å; L141-R144 PolarHBondContact O-N 3.15Å; R144-K146 PolarHBondContact O-N 2.78Å; R144-K147 PolarHBondContact O-N 2.81Å; R144-H148 PolarHBondContact O-N 3.46Å
145	L	93.5	Very high	93.5	Very high	127 Å²	127	84.4 Å²	84.4	67%	0.665	44%	0.437	S	S	*	.	H	α-helix	trans	-61.6	-41.9	173.9	-178.7	62.6	0	0	0	112.2	L141 K149	L141-L145 VanDerWaalsContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CB 3.4Å; L141-L145 PolarHBondContact O-N 2.76Å; L145-K149 WeakPolarHBondContact O-CB 3.14Å; L145-K149 PolarHBondContact O-N 3.14Å
146	K	94.3	Very high	93.7	Very high	167 Å²	167	83 Å²	83	73%	0.726	43%	0.432	S	S	*	.	H	α-helix	trans	-63.2	-39.8	176.3	-176.2	-178.9	178.3	-175.6	0	112.1	A142 S143 R144 A150	A142-K146 VanDerWaalsContact O-CB 3.26Å; A142-K146 WeakPolarHBondContact O-CB 3.34Å; A142-K146 PolarHBondContact O-N 2.67Å; S143-K146 PolarHBondContact O-N 2.73Å; R144-K146 PolarHBondContact O-N 2.78Å; K146-A150 PolarHBondContact O-N 3.3Å
147	K	91.1	Very high	94	Very high	101 Å²	101	85.5 Å²	85.5	44%	0.439	44%	0.443	S	S	.	.	H	α-helix	trans	-61	-57.7	174.3	176.2	179.7	170	-178.7	0	111.1	S143 R144 K149 A150 E151	S143-K147 PolarHBondContact O-N 3.24Å; R144-K147 PolarHBondContact O-N 2.81Å; K147-K149 VanDerWaalsContact C-N 3.28Å; K147-K149 PolarHBondContact O-N 3.35Å; K147-A150 WeakPolarHBondContact O-CB 3.28Å; K147-A150 PolarHBondContact O-N 2.74Å; K147-E151 WeakPolarHBondContact CE-OE1 3Å; K147-E151 WeakPolarHBondContact CG-OE1 3.32Å; K147-E151 IonicContact NZ-OE1 2.62Å; K147-E151 WeakPolarHBondContact O-CG 3.37Å; K147-E151 PolarHBondContact O-N 3.38Å
148	H	91.3	Very high	94.2	Very high	104 Å²	104	91.3 Å²	91.3	48%	0.481	47%	0.47	S	S	.	.	H	α-helix	trans	-63.7	-31.4	-177.5	-71.4	-44	0	0	0	113.5	R144 E151 S152	R144-H148 PolarHBondContact O-N 3.46Å; H148-E151 WeakPolarHBondContact CA-OE2 3.08Å; H148-E151 IonicContact CE1-OE2 2.6Å; H148-E151 IonicContact CG-OE2 3.16Å; H148-E151 IonicContact ND1-OE2 3.81Å; H148-E151 PolarHBondContact ND1-OE2 2.75Å; H148-E151 PolarHBondContact O-N 2.72Å; H148-S152 WeakPolarHBondContact O-CB 3.39Å; H148-S152 PolarHBondContact O-N 2.78Å
149	K	95.2	Very high	94.3	Very high	133 Å²	133	91 Å²	91	58%	0.578	47%	0.473	S	S	*	.	H	α-helix	trans	-63.1	-45.3	170.9	-179	167.8	-178.9	173.8	0	112.1	L145 K147 E151 S152 D153	L145-K149 WeakPolarHBondContact O-CB 3.14Å; L145-K149 PolarHBondContact O-N 3.14Å; K147-K149 VanDerWaalsContact C-N 3.28Å; K147-K149 PolarHBondContact O-N 3.35Å; K149-E151 VanDerWaalsContact C-N 3.31Å; K149-E151 PolarHBondContact O-N 3.44Å; K149-S152 PolarHBondContact O-N 2.6Å; K149-D153 WeakPolarHBondContact CE-OD2 3.48Å; K149-D153 WeakPolarHBondContact O-CB 3.1Å; K149-D153 PolarHBondContact O-N 3.05Å
150	A	94.8	Very high	94.5	Very high	61 Å²	61	90.6 Å²	90.6	50%	0.504	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-36.6	178.9	0	0	0	0	0	112.4	K146 K147 A154	K146-A150 PolarHBondContact O-N 3.3Å; K147-A150 WeakPolarHBondContact O-CB 3.28Å; K147-A150 PolarHBondContact O-N 2.74Å; A150-A154 WeakPolarHBondContact O-CB 3.17Å; A150-A154 PolarHBondContact O-N 2.75Å; A150-A154 VanDerWaalsContact O-N 3.08Å
151	E	95.4	Very high	94.8	Very high	80 Å²	80	94.8 Å²	94.8	37%	0.374	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-47.1	173.5	-68	165.8	168.4	0	0	111.3	K147 H148 K149 A154 I155	K147-E151 WeakPolarHBondContact CE-OE1 3Å; K147-E151 WeakPolarHBondContact CG-OE1 3.32Å; K147-E151 IonicContact NZ-OE1 2.62Å; K147-E151 WeakPolarHBondContact O-CG 3.37Å; K147-E151 PolarHBondContact O-N 3.38Å; H148-E151 WeakPolarHBondContact CA-OE2 3.08Å; H148-E151 IonicContact CE1-OE2 2.6Å; H148-E151 IonicContact CG-OE2 3.16Å; H148-E151 IonicContact ND1-OE2 3.81Å; H148-E151 PolarHBondContact ND1-OE2 2.75Å; H148-E151 PolarHBondContact O-N 2.72Å; K149-E151 VanDerWaalsContact C-N 3.31Å; K149-E151 PolarHBondContact O-N 3.44Å; E151-A154 PolarHBondContact O-N 2.79Å; E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 2.86Å
152	S	96	Very high	94.9	Very high	58 Å²	58	94.4 Å²	94.4	41%	0.406	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-47.5	175.8	-173.1	0	0	0	0	112.6	H148 K149 A154 I155 I156	H148-S152 WeakPolarHBondContact O-CB 3.39Å; H148-S152 PolarHBondContact O-N 2.78Å; K149-S152 PolarHBondContact O-N 2.6Å; S152-A154 PolarHBondContact O-N 2.91Å; S152-I155 PolarHBondContact O-N 2.79Å; S152-I156 WeakPolarHBondContact O-CB 3.02Å; S152-I156 VanDerWaalsContact O-CG1 3.29Å; S152-I156 WeakPolarHBondContact O-CG1 3.43Å; S152-I156 PolarHBondContact O-N 2.89Å
153	D	96.8	Very high	95	Very high	70 Å²	70	95.4 Å²	95.4	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-62.2	-28	177.8	-74.2	-22.7	0	0	0	112	K149 K157	K149-D153 WeakPolarHBondContact CE-OD2 3.48Å; K149-D153 WeakPolarHBondContact O-CB 3.1Å; K149-D153 PolarHBondContact O-N 3.05Å; D153-K157 WeakPolarHBondContact O-CD 3.48Å; D153-K157 VanDerWaalsContact O-CG 3.25Å; D153-K157 WeakPolarHBondContact O-CG 3.36Å; D153-K157 PolarHBondContact O-N 3.29Å
154	A	96.1	Very high	95.3	Very high	55 Å²	55	96.2 Å²	96.2	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-75.7	-47.1	173.8	0	0	0	0	0	112.2	A150 E151 S152 I156 K157 Q158	A150-A154 WeakPolarHBondContact O-CB 3.17Å; A150-A154 PolarHBondContact O-N 2.75Å; A150-A154 VanDerWaalsContact O-N 3.08Å; E151-A154 PolarHBondContact O-N 2.79Å; S152-A154 PolarHBondContact O-N 2.91Å; A154-I156 VanDerWaalsContact C-N 3.34Å; A154-I156 PolarHBondContact O-N 3.48Å; A154-K157 PolarHBondContact O-N 2.7Å; A154-Q158 PolarHBondContact O-N 3.47Å
155	I	96	Very high	95.6	Very high	109 Å²	109	98.6 Å²	98.6	56%	0.559	51%	0.513	S	S	*	.	H	α-helix	trans	-60.4	-43.4	177.9	-68	164.4	0	0	0	110.8	E151 S152 K157 Q158 L159	E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 2.86Å; S152-I155 PolarHBondContact O-N 2.79Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.32Å; I155-Q158 PolarHBondContact O-N 2.81Å; I155-L159 WeakPolarHBondContact O-CB 3.17Å; I155-L159 PolarHBondContact O-N 3.34Å
156	I	97	Very high	95.8	Very high	85 Å²	85	98.5 Å²	98.5	44%	0.436	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-40.1	177.6	-69.3	165.9	0	0	0	111.3	S152 A154 N160	S152-I156 WeakPolarHBondContact O-CB 3.02Å; S152-I156 VanDerWaalsContact O-CG1 3.29Å; S152-I156 WeakPolarHBondContact O-CG1 3.43Å; S152-I156 PolarHBondContact O-N 2.89Å; A154-I156 VanDerWaalsContact C-N 3.34Å; A154-I156 PolarHBondContact O-N 3.48Å; I156-N160 WeakPolarHBondContact O-CB 3.09Å; I156-N160 VanDerWaalsContact O-CG 3.26Å; I156-N160 PolarHBondContact O-N 2.8Å; I156-N160 PolarHBondContact O-ND2 3.38Å; I156-N160 VanDerWaalsContact O-ND2 3.08Å
157	K	96.7	Very high	95.9	Very high	150 Å²	150	94.6 Å²	94.6	65%	0.652	50%	0.503	S	S	*	.	H	α-helix	trans	-65.4	-46	175.5	-74.5	168.3	-173.6	171.2	0	111.9	D153 A154 I155 L159 N160 Q161	D153-K157 WeakPolarHBondContact O-CD 3.48Å; D153-K157 VanDerWaalsContact O-CG 3.25Å; D153-K157 WeakPolarHBondContact O-CG 3.36Å; D153-K157 PolarHBondContact O-N 3.29Å; A154-K157 PolarHBondContact O-N 2.7Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.32Å; K157-L159 PolarHBondContact O-N 2.75Å; K157-N160 PolarHBondContact O-N 3.2Å; K157-Q161 PolarHBondContact O-N 2.76Å
158	Q	97.3	Very high	96.2	Very high	137 Å²	137	93.3 Å²	93.3	64%	0.64	51%	0.507	S	S	*	.	H	α-helix	trans	-60.8	-44.8	178.7	-173.9	177	-3.1	0	0	111.4	A154 I155 Q161 S162	A154-Q158 PolarHBondContact O-N 3.47Å; I155-Q158 PolarHBondContact O-N 2.81Å; Q158-Q161 PolarHBondContact O-N 3.37Å; Q158-S162 PolarHBondContact O-N 2.8Å; Q158-S162 PolarHBondContact O-OG 2.94Å; Q158-S162 VanDerWaalsContact O-OG 3.06Å
159	L	96.6	Very high	96.5	Very high	108 Å²	108	92.1 Å²	92.1	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-61.8	-46.9	176.7	-178.3	62	0	0	0	112.1	I155 K157 Q161 S162 V163	I155-L159 WeakPolarHBondContact O-CB 3.17Å; I155-L159 PolarHBondContact O-N 3.34Å; K157-L159 PolarHBondContact O-N 2.75Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 3.2Å; L159-S162 PolarHBondContact O-N 3.18Å; L159-V163 HydrophobicContact CD1-CG2 4.39Å; L159-V163 WeakPolarHBondContact O-CG2 3.28Å; L159-V163 PolarHBondContact O-N 3.31Å
160	N	96.7	Very high	96.5	Very high	102 Å²	102	90.7 Å²	90.7	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-62.7	-37.6	178.2	-75.2	-32.8	0	0	0	112.4	I156 K157 S164	I156-N160 WeakPolarHBondContact O-CB 3.09Å; I156-N160 VanDerWaalsContact O-CG 3.26Å; I156-N160 PolarHBondContact O-N 2.8Å; I156-N160 PolarHBondContact O-ND2 3.38Å; I156-N160 VanDerWaalsContact O-ND2 3.08Å; K157-N160 PolarHBondContact O-N 3.2Å; N160-S164 WeakPolarHBondContact O-CB 3.14Å; N160-S164 PolarHBondContact O-N 3.47Å
161	Q	96.8	Very high	96.7	Very high	117 Å²	117	93.1 Å²	93.1	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-51.6	172.9	177.8	174.3	-10.9	0	0	111	K157 Q158 L159 V163 S164 E165	K157-Q161 PolarHBondContact O-N 2.76Å; Q158-Q161 PolarHBondContact O-N 3.37Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 3.2Å; Q161-V163 VanDerWaalsContact C-N 3.31Å; Q161-V163 PolarHBondContact O-N 2.95Å; Q161-S164 WeakPolarHBondContact O-CB 3.14Å; Q161-S164 PolarHBondContact O-N 2.74Å; Q161-S164 VanDerWaalsContact O-N 3.09Å; Q161-E165 HydrophobicContact CG-CG 4.44Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.14Å; Q161-E165 PolarHBondContact NE2-OE1 2.9Å; Q161-E165 WeakPolarHBondContact O-CG 3.48Å; Q161-E165 PolarHBondContact O-N 3.17Å
162	S	96.1	Very high	96.7	Very high	48 Å²	48	93 Å²	93	34%	0.336	52%	0.516	S	S	.	.	H	α-helix	trans	-59.1	-39.3	179.5	-57.6	0	0	0	0	112.8	Q158 L159 L166	Q158-S162 PolarHBondContact O-N 2.8Å; Q158-S162 PolarHBondContact O-OG 2.94Å; Q158-S162 VanDerWaalsContact O-OG 3.06Å; L159-S162 PolarHBondContact O-N 3.18Å; S162-L166 WeakPolarHBondContact O-CB 3.49Å; S162-L166 VanDerWaalsContact O-CG 3.28Å; S162-L166 WeakPolarHBondContact O-CG 3.14Å; S162-L166 PolarHBondContact O-N 2.92Å
163	V	96.9	Very high	96.8	Very high	76 Å²	76	93 Å²	93	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-41.8	174.9	169.6	0	0	0	0	111.4	L159 Q161 T167	L159-V163 HydrophobicContact CD1-CG2 4.39Å; L159-V163 WeakPolarHBondContact O-CG2 3.28Å; L159-V163 PolarHBondContact O-N 3.31Å; Q161-V163 VanDerWaalsContact C-N 3.31Å; Q161-V163 PolarHBondContact O-N 2.95Å; V163-T167 VanDerWaalsContact O-CB 3.28Å; V163-T167 WeakPolarHBondContact O-CB 3.18Å; V163-T167 PolarHBondContact O-N 2.79Å; V163-T167 PolarHBondContact O-OG1 3.38Å
164	S	96.2	Very high	96.8	Very high	79 Å²	79	94.8 Å²	94.8	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-45.3	177.5	-169.5	0	0	0	0	111.9	N160 Q161 T167 S168	N160-S164 WeakPolarHBondContact O-CB 3.14Å; N160-S164 PolarHBondContact O-N 3.47Å; Q161-S164 WeakPolarHBondContact O-CB 3.14Å; Q161-S164 PolarHBondContact O-N 2.74Å; Q161-S164 VanDerWaalsContact O-N 3.09Å; S164-T167 PolarHBondContact O-N 3.45Å; S164-S168 PolarHBondContact O-N 2.78Å
165	E	97.4	Very high	96.8	Very high	103 Å²	103	97 Å²	97	48%	0.481	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-51.5	177.6	-72.4	171	-173.3	0	0	111.1	Q161 T167 S168 S169	Q161-E165 HydrophobicContact CG-CG 4.44Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.14Å; Q161-E165 PolarHBondContact NE2-OE1 2.9Å; Q161-E165 WeakPolarHBondContact O-CG 3.48Å; Q161-E165 PolarHBondContact O-N 3.17Å; E165-T167 VanDerWaalsContact C-N 3.35Å; E165-T167 PolarHBondContact O-N 2.94Å; E165-S168 PolarHBondContact O-N 3.2Å; E165-S168 PolarHBondContact O-OG 3.43Å; E165-S169 PolarHBondContact O-N 3.23Å
166	L	96.7	Very high	96.9	Very high	125 Å²	125	93.2 Å²	93.2	65%	0.654	51%	0.513	S	S	*	.	H	α-helix	trans	-60.6	-40.7	177	-72.2	171.6	0	0	0	112.7	S162 S168 S169 L170	S162-L166 WeakPolarHBondContact O-CB 3.49Å; S162-L166 VanDerWaalsContact O-CG 3.28Å; S162-L166 WeakPolarHBondContact O-CG 3.14Å; S162-L166 PolarHBondContact O-N 2.92Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.74Å; L166-S169 PolarHBondContact O-N 2.77Å; L166-L170 WeakPolarHBondContact O-CB 3.47Å; L166-L170 PolarHBondContact O-N 3.17Å
167	T	97.3	Very high	96.8	Very high	85 Å²	85	92.9 Å²	92.9	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-40	177.2	-56.9	0	0	0	0	111.4	V163 S164 E165 K171	V163-T167 VanDerWaalsContact O-CB 3.28Å; V163-T167 WeakPolarHBondContact O-CB 3.18Å; V163-T167 PolarHBondContact O-N 2.79Å; V163-T167 PolarHBondContact O-OG1 3.38Å; S164-T167 PolarHBondContact O-N 3.45Å; E165-T167 VanDerWaalsContact C-N 3.35Å; E165-T167 PolarHBondContact O-N 2.94Å; T167-K171 WeakPolarHBondContact O-CB 3.33Å; T167-K171 PolarHBondContact O-N 2.88Å; T167-K171 VanDerWaalsContact O-N 3.1Å
168	S	96.4	Very high	96.9	Very high	75 Å²	75	91.9 Å²	91.9	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-40.2	176.6	76.2	0	0	0	0	112.4	S164 E165 L166 S172	S164-S168 PolarHBondContact O-N 2.78Å; E165-S168 PolarHBondContact O-N 3.2Å; E165-S168 PolarHBondContact O-OG 3.43Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.74Å; S168-S172 PolarHBondContact O-N 3.19Å; S168-S172 VanDerWaalsContact O-N 3.09Å
169	S	97.5	Very high	96.9	Very high	79 Å²	79	90.4 Å²	90.4	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-67.5	-40	176.7	-171.3	0	0	0	0	112.2	E165 L166 S172 A173	E165-S169 PolarHBondContact O-N 3.23Å; L166-S169 PolarHBondContact O-N 2.77Å; S169-S172 PolarHBondContact O-N 2.87Å; S169-A173 WeakPolarHBondContact O-CB 3.35Å; S169-A173 PolarHBondContact O-N 2.72Å
170	L	96.9	Very high	96.9	Very high	102 Å²	102	90.7 Å²	90.7	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-61.7	-51.4	176.2	177.9	62.1	0	0	0	110.4	L166 S172 A173 E174	L166-L170 WeakPolarHBondContact O-CB 3.47Å; L166-L170 PolarHBondContact O-N 3.17Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 3.21Å; L170-A173 WeakPolarHBondContact O-CB 3.16Å; L170-A173 PolarHBondContact O-N 3.41Å; L170-E174 HydrophobicContact CD1-CG 4.26Å; L170-E174 HydrophobicContact CG-CG 4.4Å; L170-E174 WeakPolarHBondContact O-CG 3.01Å; L170-E174 PolarHBondContact O-N 2.8Å
171	K	97.4	Very high	96.9	Very high	113 Å²	113	90.2 Å²	90.2	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-39.9	179.2	-175.6	175.2	-179.7	-65	0	112.6	T167 E174 E175	T167-K171 WeakPolarHBondContact O-CB 3.33Å; T167-K171 PolarHBondContact O-N 2.88Å; T167-K171 VanDerWaalsContact O-N 3.1Å; K171-E174 PolarHBondContact O-N 3.03Å; K171-E175 IonicContact NZ-OE1 3.2Å; K171-E175 PolarHBondContact NZ-OE1 2.77Å; K171-E175 IonicContact NZ-OE2 3.7Å; K171-E175 WeakPolarHBondContact O-CB 3.3Å; K171-E175 WeakPolarHBondContact O-CG 3.37Å; K171-E175 PolarHBondContact O-N 2.75Å
172	S	96.8	Very high	96.9	Very high	78 Å²	78	87.9 Å²	87.9	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-36.6	175.9	-176.8	0	0	0	0	112.6	S168 S169 L170 G176	S168-S172 PolarHBondContact O-N 3.19Å; S168-S172 VanDerWaalsContact O-N 3.09Å; S169-S172 PolarHBondContact O-N 2.87Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 3.21Å; S172-G176 PolarHBondContact O-N 3.17Å
173	A	96.3	Very high	97	Very high	56 Å²	56	92 Å²	92	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-69.2	-41.2	174	0	0	0	0	0	112	S169 L170 G176 T177	S169-A173 WeakPolarHBondContact O-CB 3.35Å; S169-A173 PolarHBondContact O-N 2.72Å; L170-A173 WeakPolarHBondContact O-CB 3.16Å; L170-A173 PolarHBondContact O-N 3.41Å; A173-G176 PolarHBondContact O-N 2.87Å; A173-T177 WeakPolarHBondContact O-CG2 3.3Å; A173-T177 PolarHBondContact O-N 3.48Å; A173-T177 PolarHBondContact O-OG1 3.38Å
174	E	97.6	Very high	97	Very high	108 Å²	108	94.7 Å²	94.7	51%	0.505	52%	0.516	S	S	.	.	H	α-helix	trans	-58.7	-48.7	173.6	-72.1	173.7	160	0	0	111.1	L170 K171 G176 T177 K178	L170-E174 HydrophobicContact CD1-CG 4.26Å; L170-E174 HydrophobicContact CG-CG 4.4Å; L170-E174 WeakPolarHBondContact O-CG 3.01Å; L170-E174 PolarHBondContact O-N 2.8Å; K171-E174 PolarHBondContact O-N 3.03Å; E174-G176 VanDerWaalsContact C-N 3.35Å; E174-G176 PolarHBondContact O-N 3.43Å; E174-T177 PolarHBondContact O-N 2.86Å; E174-T177 PolarHBondContact O-OG1 2.85Å; E174-K178 WeakPolarHBondContact O-CB 3.21Å; E174-K178 PolarHBondContact O-N 2.78Å
175	E	97.1	Very high	97	Very high	102 Å²	102	96.2 Å²	96.2	48%	0.477	51%	0.514	S	S	.	.	H	α-helix	trans	-59.4	-42.5	175.4	-75	170.6	178.2	0	0	112.2	K171 K178 L179	K171-E175 IonicContact NZ-OE1 3.2Å; K171-E175 PolarHBondContact NZ-OE1 2.77Å; K171-E175 IonicContact NZ-OE2 3.7Å; K171-E175 WeakPolarHBondContact O-CB 3.3Å; K171-E175 WeakPolarHBondContact O-CG 3.37Å; K171-E175 PolarHBondContact O-N 2.75Å; E175-K178 PolarHBondContact O-N 2.9Å; E175-L179 WeakPolarHBondContact O-CG 3.3Å; E175-L179 PolarHBondContact O-N 2.97Å; E175-L179 VanDerWaalsContact O-N 3.13Å
176	G	97.2	Very high	97	Very high	29 Å²	29	94.2 Å²	94.2	30%	0.299	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-46	175	0	0	0	0	0	113.6	S172 A173 E174 K178 L179 I180	S172-G176 PolarHBondContact O-N 3.17Å; A173-G176 PolarHBondContact O-N 2.87Å; E174-G176 VanDerWaalsContact C-N 3.35Å; E174-G176 PolarHBondContact O-N 3.43Å; G176-K178 VanDerWaalsContact C-N 3.3Å; G176-K178 PolarHBondContact O-N 3.31Å; G176-L179 PolarHBondContact O-N 3.31Å; G176-I180 WeakPolarHBondContact O-CG1 3.26Å; G176-I180 PolarHBondContact O-N 3.46Å; G176-I180 VanDerWaalsContact O-N 3.16Å
177	T	96	Very high	97	Very high	79 Å²	79	94.1 Å²	94.1	49%	0.485	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-36.2	176.8	57.5	0	0	0	0	112.1	A173 E174 I180 I181	A173-T177 WeakPolarHBondContact O-CG2 3.3Å; A173-T177 PolarHBondContact O-N 3.48Å; A173-T177 PolarHBondContact O-OG1 3.38Å; E174-T177 PolarHBondContact O-N 2.86Å; E174-T177 PolarHBondContact O-OG1 2.85Å; T177-I180 PolarHBondContact O-N 2.91Å; T177-I181 WeakPolarHBondContact O-CB 3.33Å; T177-I181 WeakPolarHBondContact O-CD1 3.12Å; T177-I181 VanDerWaalsContact O-CG1 3.26Å; T177-I181 WeakPolarHBondContact O-CG1 3.48Å; T177-I181 PolarHBondContact O-N 2.73Å
178	K	97.4	Very high	97	Very high	128 Å²	128	96.7 Å²	96.7	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-61.8	-47.3	174.8	-167.7	-155.8	168.8	-151.5	0	111.6	E174 E175 G176 I180 I181 D182	E174-K178 WeakPolarHBondContact O-CB 3.21Å; E174-K178 PolarHBondContact O-N 2.78Å; E175-K178 PolarHBondContact O-N 2.9Å; G176-K178 VanDerWaalsContact C-N 3.3Å; G176-K178 PolarHBondContact O-N 3.31Å; K178-I180 VanDerWaalsContact C-N 3.33Å; K178-I180 PolarHBondContact O-N 3.37Å; K178-I181 WeakPolarHBondContact O-CB 3.23Å; K178-I181 PolarHBondContact O-N 3.44Å; K178-I181 VanDerWaalsContact O-N 3.13Å; K178-D182 VanDerWaalsContact CE-OD2 3.24Å; K178-D182 WeakPolarHBondContact CE-OD2 3.3Å; K178-D182 IonicContact NZ-OD2 3.76Å; K178-D182 PolarHBondContact O-N 2.76Å
179	L	96.8	Very high	97.1	Very high	107 Å²	107	98.2 Å²	98.2	56%	0.56	52%	0.52	S	S	*	.	H	α-helix	trans	-57.8	-45.2	177.6	-71.1	170.7	0	0	0	111.7	E175 G176 I181 D182 E183	E175-L179 WeakPolarHBondContact O-CG 3.3Å; E175-L179 PolarHBondContact O-N 2.97Å; E175-L179 VanDerWaalsContact O-N 3.13Å; G176-L179 PolarHBondContact O-N 3.31Å; L179-I181 VanDerWaalsContact C-N 3.31Å; L179-I181 PolarHBondContact O-N 2.96Å; L179-D182 PolarHBondContact O-N 3.22Å; L179-E183 WeakPolarHBondContact O-CB 3.43Å; L179-E183 WeakPolarHBondContact O-CG 3.39Å; L179-E183 PolarHBondContact O-N 3.43Å
180	I	97	Very high	97.1	Very high	113 Å²	113	99 Å²	99	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-63	-36.5	177.3	-65.2	166.1	0	0	0	111.6	G176 T177 K178 F184	G176-I180 WeakPolarHBondContact O-CG1 3.26Å; G176-I180 PolarHBondContact O-N 3.46Å; G176-I180 VanDerWaalsContact O-N 3.16Å; T177-I180 PolarHBondContact O-N 2.91Å; K178-I180 VanDerWaalsContact C-N 3.33Å; K178-I180 PolarHBondContact O-N 3.37Å; I180-F184 VanDerWaalsContact O-CB 3.23Å; I180-F184 WeakPolarHBondContact O-CB 3.14Å; I180-F184 PolarHBondContact O-N 2.86Å
181	I	96.9	Very high	97.1	Very high	92 Å²	92	96.4 Å²	96.4	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-68.7	-41.5	175.6	-73	164.8	0	0	0	111.6	T177 K178 L179 Q185	T177-I181 WeakPolarHBondContact O-CB 3.33Å; T177-I181 WeakPolarHBondContact O-CD1 3.12Å; T177-I181 VanDerWaalsContact O-CG1 3.26Å; T177-I181 WeakPolarHBondContact O-CG1 3.48Å; T177-I181 PolarHBondContact O-N 2.73Å; K178-I181 WeakPolarHBondContact O-CB 3.23Å; K178-I181 PolarHBondContact O-N 3.44Å; K178-I181 VanDerWaalsContact O-N 3.13Å; L179-I181 VanDerWaalsContact C-N 3.31Å; L179-I181 PolarHBondContact O-N 2.96Å; I181-Q185 WeakPolarHBondContact O-CG 3.36Å; I181-Q185 PolarHBondContact O-N 3.3Å; I181-Q185 PolarHBondContact O-NE2 2.87Å
182	D	96.9	Very high	97	Very high	68 Å²	68	94 Å²	94	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-67.9	-42.7	178.2	-69.4	-19.4	0	0	0	110.5	K178 L179 Q185 A186	K178-D182 VanDerWaalsContact CE-OD2 3.24Å; K178-D182 WeakPolarHBondContact CE-OD2 3.3Å; K178-D182 IonicContact NZ-OD2 3.76Å; K178-D182 PolarHBondContact O-N 2.76Å; L179-D182 PolarHBondContact O-N 3.22Å; D182-Q185 PolarHBondContact O-N 2.75Å; D182-A186 PolarHBondContact O-N 3.26Å
183	E	97.6	Very high	97	Very high	136 Å²	136	92.4 Å²	92.4	64%	0.636	49%	0.493	S	S	*	.	H	α-helix	trans	-62	-45.3	172.8	-75.1	179.8	177.5	0	0	112.5	L179 Q185 A186 F187	L179-E183 WeakPolarHBondContact O-CB 3.43Å; L179-E183 WeakPolarHBondContact O-CG 3.39Å; L179-E183 PolarHBondContact O-N 3.43Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 3.38Å; E183-A186 PolarHBondContact O-N 2.89Å; E183-F187 WeakPolarHBondContact O-CB 3.22Å; E183-F187 PolarHBondContact O-N 2.76Å
184	F	97.1	Very high	97.1	Very high	132 Å²	132	95.1 Å²	95.1	58%	0.579	50%	0.495	S	S	*	.	H	α-helix	trans	-63.3	-36.8	177.6	178.5	-104.6	0	0	0	112.2	I180 K188	I180-F184 VanDerWaalsContact O-CB 3.23Å; I180-F184 WeakPolarHBondContact O-CB 3.14Å; I180-F184 PolarHBondContact O-N 2.86Å; F184-K188 VanDerWaalsContact O-CB 3.25Å; F184-K188 WeakPolarHBondContact O-CB 3.5Å; F184-K188 PolarHBondContact O-N 2.86Å
185	Q	97	Very high	97.1	Very high	110 Å²	110	94.6 Å²	94.6	51%	0.514	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-44.7	173.2	-77.4	178.7	73	0	0	111.9	I181 D182 E183 K188 V189	I181-Q185 WeakPolarHBondContact O-CG 3.36Å; I181-Q185 PolarHBondContact O-N 3.3Å; I181-Q185 PolarHBondContact O-NE2 2.87Å; D182-Q185 PolarHBondContact O-N 2.75Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 3.38Å; Q185-K188 PolarHBondContact O-N 3.24Å; Q185-V189 WeakPolarHBondContact O-CG2 3.35Å; Q185-V189 PolarHBondContact O-N 2.85Å
186	A	97.3	Very high	97.1	Very high	62 Å²	62	94.6 Å²	94.6	51%	0.512	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-48.6	176	0	0	0	0	0	111.8	D182 E183 K188 V189 E190	D182-A186 PolarHBondContact O-N 3.26Å; E183-A186 PolarHBondContact O-N 2.89Å; A186-K188 VanDerWaalsContact C-N 3.32Å; A186-K188 PolarHBondContact O-N 3.49Å; A186-V189 PolarHBondContact O-N 3.49Å; A186-E190 PolarHBondContact O-N 3.45Å
187	F	97.1	Very high	97.1	Very high	123 Å²	123	97.7 Å²	97.7	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-61.1	-38.4	176.9	-179.4	-104.7	0	0	0	112.7	E183 E190 C191	E183-F187 WeakPolarHBondContact O-CB 3.22Å; E183-F187 PolarHBondContact O-N 2.76Å; F187-E190 PolarHBondContact O-N 3.24Å; F187-C191 VanDerWaalsContact CE1-SG 3.53Å; F187-C191 WeakPolarHBondContact CZ-SG 3.09Å; F187-C191 WeakPolarHBondContact O-CB 3.07Å; F187-C191 PolarHBondContact O-N 2.83Å; F187-C191 PolarHBondContact O-SG 2.76Å
188	K	97.7	Very high	97.2	Very high	139 Å²	139	98.5 Å²	98.5	60%	0.604	51%	0.505	S	S	*	.	H	α-helix	trans	-64.3	-39.6	176	-175.7	177.9	179.2	-178.2	0	112.3	F184 Q185 A186 S192	F184-K188 VanDerWaalsContact O-CB 3.25Å; F184-K188 WeakPolarHBondContact O-CB 3.5Å; F184-K188 PolarHBondContact O-N 2.86Å; Q185-K188 PolarHBondContact O-N 3.24Å; A186-K188 VanDerWaalsContact C-N 3.32Å; A186-K188 PolarHBondContact O-N 3.49Å; K188-S192 WeakPolarHBondContact O-CB 3.46Å; K188-S192 PolarHBondContact O-N 3.06Å
189	V	97.5	Very high	97.2	Very high	106 Å²	106	100.1 Å²	100.1	64%	0.642	51%	0.508	S	S	*	.	H	α-helix	trans	-66.8	-43.5	173.9	173	0	0	0	0	110.8	Q185 A186 C191 S192 A193	Q185-V189 WeakPolarHBondContact O-CG2 3.35Å; Q185-V189 PolarHBondContact O-N 2.85Å; A186-V189 PolarHBondContact O-N 3.49Å; V189-C191 PolarHBondContact O-N 2.8Å; V189-S192 PolarHBondContact O-N 2.82Å; V189-A193 PolarHBondContact O-N 3.42Å
190	E	97.3	Very high	97.2	Very high	95 Å²	95	97.5 Å²	97.5	44%	0.444	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-43.7	177.3	-165.5	-166.2	154.4	0	0	112.2	A186 F187 A193 K194	A186-E190 PolarHBondContact O-N 3.45Å; F187-E190 PolarHBondContact O-N 3.24Å; E190-A193 PolarHBondContact O-N 2.94Å; E190-K194 HydrophobicContact CG-CD 4.42Å; E190-K194 WeakPolarHBondContact O-CB 3.08Å; E190-K194 WeakPolarHBondContact O-CG 3.11Å; E190-K194 PolarHBondContact O-N 3.44Å; E190-K194 WeakPolarHBondContact OE1-CE 3.48Å; E190-K194 IonicContact OE1-NZ 2.83Å; E190-K194 PolarHBondContact OE1-NZ 2.75Å
191	C	96.3	Very high	97.2	Very high	49 Å²	49	97.8 Å²	97.8	33%	0.331	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-43.7	174.8	-71.8	0	0	0	0	111.9	F187 V189 A193 K194 E195	F187-C191 VanDerWaalsContact CE1-SG 3.53Å; F187-C191 WeakPolarHBondContact CZ-SG 3.09Å; F187-C191 WeakPolarHBondContact O-CB 3.07Å; F187-C191 PolarHBondContact O-N 2.83Å; F187-C191 PolarHBondContact O-SG 2.76Å; V189-C191 PolarHBondContact O-N 2.8Å; C191-A193 VanDerWaalsContact C-N 3.33Å; C191-A193 PolarHBondContact O-N 3.28Å; C191-K194 PolarHBondContact O-N 3.28Å; C191-E195 WeakPolarHBondContact O-CB 3.42Å; C191-E195 PolarHBondContact O-N 3.03Å
192	S	96.9	Very high	97.2	Very high	61 Å²	61	97.9 Å²	97.9	43%	0.427	50%	0.502	S	S	.	.	H	α-helix	trans	-62.2	-40.2	176.2	-171.2	0	0	0	0	112	K188 V189 E195 I196	K188-S192 WeakPolarHBondContact O-CB 3.46Å; K188-S192 PolarHBondContact O-N 3.06Å; V189-S192 PolarHBondContact O-N 2.82Å; S192-E195 PolarHBondContact O-N 3.34Å; S192-I196 WeakPolarHBondContact O-CD1 3.13Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.13Å; S192-I196 PolarHBondContact O-N 2.83Å
193	A	97.1	Very high	97.2	Very high	45 Å²	45	99.8 Å²	99.8	37%	0.372	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-42.7	176.2	0	0	0	0	0	111.9	V189 E190 C191 I196 N197	V189-A193 PolarHBondContact O-N 3.42Å; E190-A193 PolarHBondContact O-N 2.94Å; C191-A193 VanDerWaalsContact C-N 3.33Å; C191-A193 PolarHBondContact O-N 3.28Å; A193-I196 PolarHBondContact O-N 3.04Å; A193-N197 WeakPolarHBondContact O-CB 3.15Å; A193-N197 VanDerWaalsContact O-CG 3.26Å; A193-N197 PolarHBondContact O-N 2.87Å; A193-N197 PolarHBondContact O-OD1 3.27Å
194	K	97.8	Very high	97.2	Very high	113 Å²	113	98.9 Å²	98.9	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-41.3	174.1	-76.3	172	172.9	171.3	0	112.2	E190 C191 N197 L198	E190-K194 HydrophobicContact CG-CD 4.42Å; E190-K194 WeakPolarHBondContact O-CB 3.08Å; E190-K194 WeakPolarHBondContact O-CG 3.11Å; E190-K194 PolarHBondContact O-N 3.44Å; E190-K194 WeakPolarHBondContact OE1-CE 3.48Å; E190-K194 IonicContact OE1-NZ 2.83Å; E190-K194 PolarHBondContact OE1-NZ 2.75Å; C191-K194 PolarHBondContact O-N 3.28Å; K194-N197 PolarHBondContact O-N 3.38Å; K194-L198 WeakPolarHBondContact O-CB 3.46Å; K194-L198 VanDerWaalsContact O-CG 3.32Å; K194-L198 WeakPolarHBondContact O-CG 3.32Å; K194-L198 PolarHBondContact O-N 2.99Å
195	E	97.2	Very high	97.2	Very high	97 Å²	97	95.5 Å²	95.5	45%	0.453	49%	0.493	S	S	.	.	H	α-helix	trans	-63.8	-44.6	176.4	-166.2	-168.5	151.3	0	0	111.6	C191 S192 L198 R199	C191-E195 WeakPolarHBondContact O-CB 3.42Å; C191-E195 PolarHBondContact O-N 3.03Å; S192-E195 PolarHBondContact O-N 3.34Å; E195-L198 PolarHBondContact O-N 2.73Å; E195-R199 WeakPolarHBondContact O-CB 3.16Å; E195-R199 VanDerWaalsContact O-CG 3.24Å; E195-R199 WeakPolarHBondContact O-CG 3.33Å; E195-R199 PolarHBondContact O-N 3.45Å; E195-R199 IonicContact OE1-CZ 2.67Å; E195-R199 IonicContact OE1-NE 3.83Å; E195-R199 PolarHBondContact OE1-NE 3.07Å; E195-R199 IonicContact OE1-NH2 2.6Å; E195-R199 PolarHBondContact OE1-NH2 3.43Å
196	I	97.3	Very high	97.2	Very high	102 Å²	102	94.6 Å²	94.6	52%	0.523	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-45	177	-70.2	164.5	0	0	0	111	S192 A193 R199 A200	S192-I196 WeakPolarHBondContact O-CD1 3.13Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.13Å; S192-I196 PolarHBondContact O-N 2.83Å; A193-I196 PolarHBondContact O-N 3.04Å; I196-R199 PolarHBondContact O-N 3Å; I196-A200 WeakPolarHBondContact O-CB 3.4Å; I196-A200 PolarHBondContact O-N 2.81Å
197	N	97.2	Very high	97.2	Very high	94 Å²	94	97.1 Å²	97.1	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-48.9	177.7	-70.5	-6	0	0	0	111.5	A193 K194 R199 A200 E201	A193-N197 WeakPolarHBondContact O-CB 3.15Å; A193-N197 VanDerWaalsContact O-CG 3.26Å; A193-N197 PolarHBondContact O-N 2.87Å; A193-N197 PolarHBondContact O-OD1 3.27Å; K194-N197 PolarHBondContact O-N 3.38Å; N197-R199 VanDerWaalsContact C-N 3.31Å; N197-R199 PolarHBondContact O-N 3.08Å; N197-A200 PolarHBondContact O-N 3.36Å; N197-A200 VanDerWaalsContact O-N 3.11Å; N197-E201 WeakPolarHBondContact O-CG 3.46Å; N197-E201 PolarHBondContact O-N 2.84Å
198	L	97.2	Very high	97.2	Very high	96 Å²	96	95.1 Å²	95.1	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-37.7	176.9	-73.7	169.6	0	0	0	111.9	K194 E195 N202	K194-L198 WeakPolarHBondContact O-CB 3.46Å; K194-L198 VanDerWaalsContact O-CG 3.32Å; K194-L198 WeakPolarHBondContact O-CG 3.32Å; K194-L198 PolarHBondContact O-N 2.99Å; E195-L198 PolarHBondContact O-N 2.73Å; L198-N202 WeakPolarHBondContact O-CB 3.28Å; L198-N202 PolarHBondContact O-N 2.71Å; L198-N202 PolarHBondContact O-ND2 2.97Å
199	R	97.7	Very high	97.2	Very high	162 Å²	162	94 Å²	94	61%	0.611	48%	0.479	S	S	*	.	H	α-helix	trans	-62.8	-44.2	173.1	-75.7	173.1	-178.8	-81.5	3.3	111.3	E195 I196 N197 N202 E203	E195-R199 WeakPolarHBondContact O-CB 3.16Å; E195-R199 VanDerWaalsContact O-CG 3.24Å; E195-R199 WeakPolarHBondContact O-CG 3.33Å; E195-R199 PolarHBondContact O-N 3.45Å; E195-R199 IonicContact OE1-CZ 2.67Å; E195-R199 IonicContact OE1-NE 3.83Å; E195-R199 PolarHBondContact OE1-NE 3.07Å; E195-R199 IonicContact OE1-NH2 2.6Å; E195-R199 PolarHBondContact OE1-NH2 3.43Å; I196-R199 PolarHBondContact O-N 3Å; N197-R199 VanDerWaalsContact C-N 3.31Å; N197-R199 PolarHBondContact O-N 3.08Å; R199-N202 PolarHBondContact O-N 3.41Å; R199-E203 WeakPolarHBondContact O-CB 3.25Å; R199-E203 PolarHBondContact O-N 2.88Å
200	A	96.9	Very high	97.2	Very high	53 Å²	53	94.1 Å²	94.1	44%	0.438	47%	0.473	S	S	.	.	H	α-helix	trans	-66.6	-38.8	178.6	0	0	0	0	0	113.2	I196 N197 E203 F204	I196-A200 WeakPolarHBondContact O-CB 3.4Å; I196-A200 PolarHBondContact O-N 2.81Å; N197-A200 PolarHBondContact O-N 3.36Å; N197-A200 VanDerWaalsContact O-N 3.11Å; A200-E203 PolarHBondContact O-N 3.36Å; A200-F204 VanDerWaalsContact O-CB 3.29Å; A200-F204 WeakPolarHBondContact O-CB 3.3Å; A200-F204 PolarHBondContact O-N 3.38Å
201	E	96.9	Very high	97.1	Very high	119 Å²	119	93.4 Å²	93.4	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-66.1	-43.4	174.6	-72.8	171.5	-174.6	0	0	112	N197 F204 T205	N197-E201 WeakPolarHBondContact O-CG 3.46Å; N197-E201 PolarHBondContact O-N 2.84Å; E201-F204 PolarHBondContact O-N 2.86Å; E201-T205 WeakPolarHBondContact O-CG2 3.31Å; E201-T205 PolarHBondContact O-N 3.36Å; E201-T205 PolarHBondContact O-OG1 2.91Å
202	N	96.7	Very high	97.2	Very high	94 Å²	94	95.8 Å²	95.8	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-41.8	174.3	-77.5	-64.7	0	0	0	111.7	L198 R199 F204 T205 I206	L198-N202 WeakPolarHBondContact O-CB 3.28Å; L198-N202 PolarHBondContact O-N 2.71Å; L198-N202 PolarHBondContact O-ND2 2.97Å; R199-N202 PolarHBondContact O-N 3.41Å; N202-F204 PolarHBondContact O-N 3.31Å; N202-T205 WeakPolarHBondContact CA-OG1 3.45Å; N202-T205 PolarHBondContact O-N 2.7Å; N202-T205 PolarHBondContact O-OG1 3.01Å; N202-T205 VanDerWaalsContact O-OG1 3.09Å; N202-I206 WeakPolarHBondContact O-CB 3.47Å; N202-I206 WeakPolarHBondContact O-CD1 3.38Å; N202-I206 WeakPolarHBondContact O-CG1 3.34Å; N202-I206 PolarHBondContact O-N 3.38Å
203	E	97.6	Very high	97.2	Very high	107 Å²	107	98.4 Å²	98.4	50%	0.5	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-38	176.2	-159.7	-156.2	114.2	0	0	111.7	R199 A200 R207	R199-E203 WeakPolarHBondContact O-CB 3.25Å; R199-E203 PolarHBondContact O-N 2.88Å; A200-E203 PolarHBondContact O-N 3.36Å; E203-R207 WeakPolarHBondContact O-CB 3.49Å; E203-R207 WeakPolarHBondContact O-CG 3.21Å; E203-R207 PolarHBondContact O-N 3.48Å; E203-R207 IonicContact OE1-CZ 3.41Å; E203-R207 IonicContact OE1-NE 3.41Å; E203-R207 PolarHBondContact OE1-NE 2.8Å; E203-R207 IonicContact OE1-NH2 2.65Å; E203-R207 PolarHBondContact OE1-NH2 3.35Å
204	F	97.1	Very high	97.2	Very high	118 Å²	118	100.2 Å²	100.2	52%	0.518	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-49.9	174.1	179.7	-86.2	0	0	0	112	A200 E201 N202 I206 R207 E208	A200-F204 VanDerWaalsContact O-CB 3.29Å; A200-F204 WeakPolarHBondContact O-CB 3.3Å; A200-F204 PolarHBondContact O-N 3.38Å; E201-F204 PolarHBondContact O-N 2.86Å; N202-F204 PolarHBondContact O-N 3.31Å; F204-I206 PolarHBondContact O-N 2.68Å; F204-R207 PolarHBondContact O-N 2.83Å; F204-E208 WeakPolarHBondContact O-CB 3.29Å; F204-E208 PolarHBondContact O-N 3.16Å
205	T	97.2	Very high	97.2	Very high	60 Å²	60	99.4 Å²	99.4	37%	0.368	49%	0.49	S	S	.	.	H	α-helix	trans	-67.2	-35.4	-179.9	48.1	0	0	0	0	112.4	E201 N202 E208 L209	E201-T205 WeakPolarHBondContact O-CG2 3.31Å; E201-T205 PolarHBondContact O-N 3.36Å; E201-T205 PolarHBondContact O-OG1 2.91Å; N202-T205 WeakPolarHBondContact CA-OG1 3.45Å; N202-T205 PolarHBondContact O-N 2.7Å; N202-T205 PolarHBondContact O-OG1 3.01Å; N202-T205 VanDerWaalsContact O-OG1 3.09Å; T205-E208 PolarHBondContact O-N 2.88Å; T205-L209 WeakPolarHBondContact O-CB 3.33Å; T205-L209 VanDerWaalsContact O-CG 3.26Å; T205-L209 WeakPolarHBondContact O-CG 3.36Å; T205-L209 PolarHBondContact O-N 2.62Å
206	I	97.2	Very high	97.2	Very high	92 Å²	92	99.4 Å²	99.4	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-48.5	170.1	-71.9	165.8	0	0	0	110.7	N202 F204 E208 L209 Q210	N202-I206 WeakPolarHBondContact O-CB 3.47Å; N202-I206 WeakPolarHBondContact O-CD1 3.38Å; N202-I206 WeakPolarHBondContact O-CG1 3.34Å; N202-I206 PolarHBondContact O-N 3.38Å; F204-I206 PolarHBondContact O-N 2.68Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.32Å; I206-L209 PolarHBondContact O-N 2.9Å; I206-Q210 HydrophobicContact CG2-CG 4.43Å; I206-Q210 WeakPolarHBondContact O-CB 3.28Å; I206-Q210 VanDerWaalsContact O-CG 3.28Å; I206-Q210 WeakPolarHBondContact O-CG 3.35Å; I206-Q210 PolarHBondContact O-N 3.01Å
207	R	97.3	Very high	97.2	Very high	115 Å²	115	99.2 Å²	99.2	43%	0.434	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-37.8	177.5	-76.9	-172.3	-90.9	93.7	-5.8	112.5	E203 F204 S211	E203-R207 WeakPolarHBondContact O-CB 3.49Å; E203-R207 WeakPolarHBondContact O-CG 3.21Å; E203-R207 PolarHBondContact O-N 3.48Å; E203-R207 IonicContact OE1-CZ 3.41Å; E203-R207 IonicContact OE1-NE 3.41Å; E203-R207 PolarHBondContact OE1-NE 2.8Å; E203-R207 IonicContact OE1-NH2 2.65Å; E203-R207 PolarHBondContact OE1-NH2 3.35Å; F204-R207 PolarHBondContact O-N 2.83Å; R207-S211 WeakPolarHBondContact O-CB 3.44Å; R207-S211 PolarHBondContact O-N 3.48Å
208	E	97.1	Very high	97.2	Very high	80 Å²	80	98 Å²	98	37%	0.374	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-42.7	176.1	-164.9	-169.2	-178.1	0	0	111.8	F204 T205 I206 S211 K212	F204-E208 WeakPolarHBondContact O-CB 3.29Å; F204-E208 PolarHBondContact O-N 3.16Å; T205-E208 PolarHBondContact O-N 2.88Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.32Å; E208-S211 PolarHBondContact O-N 3.32Å; E208-K212 HydrophobicContact CG-CD 4.38Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 2.96Å; E208-K212 VanDerWaalsContact OE1-CE 3.27Å; E208-K212 WeakPolarHBondContact OE1-CE 3.03Å; E208-K212 IonicContact OE1-NZ 2.69Å; E208-K212 PolarHBondContact OE1-NZ 3.47Å; E208-K212 IonicContact OE2-NZ 2.64Å
209	L	97	Very high	97.2	Very high	115 Å²	115	98.9 Å²	98.9	60%	0.602	49%	0.488	S	S	*	.	H	α-helix	trans	-66.9	-39	176.3	-72.1	171.3	0	0	0	112.2	T205 I206 K212 H213	T205-L209 WeakPolarHBondContact O-CB 3.33Å; T205-L209 VanDerWaalsContact O-CG 3.26Å; T205-L209 WeakPolarHBondContact O-CG 3.36Å; T205-L209 PolarHBondContact O-N 2.62Å; I206-L209 PolarHBondContact O-N 2.9Å; L209-K212 PolarHBondContact O-N 3.32Å; L209-H213 VanDerWaalsContact O-CB 3.29Å; L209-H213 WeakPolarHBondContact O-CB 3.49Å; L209-H213 PolarHBondContact O-N 2.68Å
210	Q	97.5	Very high	97.1	Very high	109 Å²	109	96.9 Å²	96.9	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-48.5	172.1	-74.7	169.5	-21.7	0	0	111.1	I206 K212 H213 D214	I206-Q210 HydrophobicContact CG2-CG 4.43Å; I206-Q210 WeakPolarHBondContact O-CB 3.28Å; I206-Q210 VanDerWaalsContact O-CG 3.28Å; I206-Q210 WeakPolarHBondContact O-CG 3.35Å; I206-Q210 PolarHBondContact O-N 3.01Å; Q210-K212 VanDerWaalsContact C-N 3.32Å; Q210-K212 PolarHBondContact O-N 2.86Å; Q210-H213 WeakPolarHBondContact O-CB 3.21Å; Q210-H213 PolarHBondContact O-N 2.88Å; Q210-D214 PolarHBondContact O-N 3.24Å
211	S	96.8	Very high	97.1	Very high	81 Å²	81	99.2 Å²	99.2	57%	0.566	49%	0.49	S	S	*	.	H	α-helix	trans	-60.6	-39.3	177.8	-171.7	0	0	0	0	112.7	R207 E208 E215	R207-S211 WeakPolarHBondContact O-CB 3.44Å; R207-S211 PolarHBondContact O-N 3.48Å; E208-S211 PolarHBondContact O-N 3.32Å; S211-E215 WeakPolarHBondContact O-CB 3.47Å; S211-E215 PolarHBondContact O-N 2.95Å
212	K	97.4	Very high	97.1	Very high	98 Å²	98	98.6 Å²	98.6	43%	0.426	49%	0.488	S	S	.	.	H	α-helix	trans	-71.1	-38.2	175.6	-72.4	171	-175.2	169.3	0	112.5	E208 L209 Q210 E215 V216	E208-K212 HydrophobicContact CG-CD 4.38Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 2.96Å; E208-K212 VanDerWaalsContact OE1-CE 3.27Å; E208-K212 WeakPolarHBondContact OE1-CE 3.03Å; E208-K212 IonicContact OE1-NZ 2.69Å; E208-K212 PolarHBondContact OE1-NZ 3.47Å; E208-K212 IonicContact OE2-NZ 2.64Å; L209-K212 PolarHBondContact O-N 3.32Å; Q210-K212 VanDerWaalsContact C-N 3.32Å; Q210-K212 PolarHBondContact O-N 2.86Å; K212-E215 PolarHBondContact O-N 3.31Å; K212-V216 WeakPolarHBondContact O-CG2 3.24Å; K212-V216 PolarHBondContact O-N 2.9Å
213	H	97.2	Very high	97.1	Very high	117 Å²	117	97.3 Å²	97.3	54%	0.542	49%	0.486	S	S	.	.	H	α-helix	trans	-59.3	-47.7	173.7	170.5	-84.4	0	0	0	110.8	L209 Q210 V216 K217	L209-H213 VanDerWaalsContact O-CB 3.29Å; L209-H213 WeakPolarHBondContact O-CB 3.49Å; L209-H213 PolarHBondContact O-N 2.68Å; Q210-H213 WeakPolarHBondContact O-CB 3.21Å; Q210-H213 PolarHBondContact O-N 2.88Å; H213-V216 PolarHBondContact O-N 2.86Å; H213-K217 VanDerWaalsContact O-CB 3.31Å; H213-K217 WeakPolarHBondContact O-CB 3.06Å; H213-K217 PolarHBondContact O-N 3.36Å
214	D	96.8	Very high	97	Very high	83 Å²	83	96 Å²	96	44%	0.444	48%	0.482	S	S	.	.	H	α-helix	trans	-72.9	-30.4	-177.5	-66.8	-15.4	0	0	0	112.2	Q210 T218	Q210-D214 PolarHBondContact O-N 3.24Å; D214-T218 WeakPolarHBondContact O-CB 3.12Å; D214-T218 WeakPolarHBondContact O-CG2 3.5Å; D214-T218 PolarHBondContact O-N 3.42Å; D214-T218 PolarHBondContact O-OG1 3.34Å
215	E	97.2	Very high	97	Very high	96 Å²	96	93.1 Å²	93.1	45%	0.449	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-42	168.4	-171.1	-170.5	177	0	0	112.2	S211 K212 T218 K219	S211-E215 WeakPolarHBondContact O-CB 3.47Å; S211-E215 PolarHBondContact O-N 2.95Å; K212-E215 PolarHBondContact O-N 3.31Å; E215-T218 PolarHBondContact O-OG1 2.89Å; E215-K219 VanDerWaalsContact CD-NZ 3.35Å; E215-K219 HydrophobicContact CG-CD 4.37Å; E215-K219 WeakPolarHBondContact O-CB 3.28Å; E215-K219 WeakPolarHBondContact O-CD 3.31Å; E215-K219 VanDerWaalsContact O-CG 3.23Å; E215-K219 WeakPolarHBondContact O-CG 3.38Å; E215-K219 PolarHBondContact O-N 2.93Å; E215-K219 WeakPolarHBondContact OE1-CE 3.36Å; E215-K219 IonicContact OE1-NZ 3.82Å; E215-K219 PolarHBondContact OE1-NZ 3.2Å
216	V	97.1	Very high	97	Very high	97 Å²	97	96.1 Å²	96.1	59%	0.588	48%	0.484	S	S	*	.	H	α-helix	trans	-69.1	-42.3	175.7	169.1	0	0	0	0	111.2	K212 H213 K219 L220	K212-V216 WeakPolarHBondContact O-CG2 3.24Å; K212-V216 PolarHBondContact O-N 2.9Å; H213-V216 PolarHBondContact O-N 2.86Å; V216-K219 PolarHBondContact O-N 2.78Å; V216-L220 WeakPolarHBondContact O-CB 3.23Å; V216-L220 PolarHBondContact O-N 3.31Å
217	K	98	Very high	97	Very high	97 Å²	97	97.8 Å²	97.8	42%	0.422	49%	0.49	S	S	.	.	H	α-helix	trans	-60.5	-51.6	177.5	179.7	-171.5	164.4	-171.4	0	111.2	H213 K219 L220 E221	H213-K217 VanDerWaalsContact O-CB 3.31Å; H213-K217 WeakPolarHBondContact O-CB 3.06Å; H213-K217 PolarHBondContact O-N 3.36Å; K217-K219 VanDerWaalsContact C-N 3.34Å; K217-K219 PolarHBondContact O-N 3.28Å; K217-L220 PolarHBondContact O-N 2.93Å; K217-L220 VanDerWaalsContact O-N 3.11Å; K217-E221 VanDerWaalsContact CE-CD 3.43Å; K217-E221 WeakPolarHBondContact CE-OE1 3.42Å; K217-E221 WeakPolarHBondContact CE-OE2 3.25Å; K217-E221 HydrophobicContact CG-CG 4.42Å; K217-E221 IonicContact NZ-OE1 3.92Å; K217-E221 WeakPolarHBondContact O-CG 3.3Å; K217-E221 PolarHBondContact O-N 3.28Å
218	T	96.7	Very high	96.9	Very high	69 Å²	69	97.8 Å²	97.8	42%	0.423	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-40	179.8	46.6	0	0	0	0	112.1	D214 E215 L220 E221 E222	D214-T218 WeakPolarHBondContact O-CB 3.12Å; D214-T218 WeakPolarHBondContact O-CG2 3.5Å; D214-T218 PolarHBondContact O-N 3.42Å; D214-T218 PolarHBondContact O-OG1 3.34Å; E215-T218 PolarHBondContact O-OG1 2.89Å; T218-L220 VanDerWaalsContact C-N 3.35Å; T218-L220 PolarHBondContact O-N 3.46Å; T218-E221 PolarHBondContact O-N 2.82Å; T218-E222 WeakPolarHBondContact O-CB 3.3Å; T218-E222 PolarHBondContact O-N 2.79Å
219	K	97.6	Very high	96.9	Very high	115 Å²	115	98.1 Å²	98.1	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-38.6	172.4	-73.3	171.5	-173	172.9	0	113	E215 V216 K217 S223	E215-K219 VanDerWaalsContact CD-NZ 3.35Å; E215-K219 HydrophobicContact CG-CD 4.37Å; E215-K219 WeakPolarHBondContact O-CB 3.28Å; E215-K219 WeakPolarHBondContact O-CD 3.31Å; E215-K219 VanDerWaalsContact O-CG 3.23Å; E215-K219 WeakPolarHBondContact O-CG 3.38Å; E215-K219 PolarHBondContact O-N 2.93Å; E215-K219 WeakPolarHBondContact OE1-CE 3.36Å; E215-K219 IonicContact OE1-NZ 3.82Å; E215-K219 PolarHBondContact OE1-NZ 3.2Å; V216-K219 PolarHBondContact O-N 2.78Å; K217-K219 VanDerWaalsContact C-N 3.34Å; K217-K219 PolarHBondContact O-N 3.28Å; K219-S223 VanDerWaalsContact O-CB 3.32Å; K219-S223 WeakPolarHBondContact O-CB 3.43Å; K219-S223 PolarHBondContact O-N 3.05Å
220	L	96	Very high	96.9	Very high	120 Å²	120	97.4 Å²	97.4	63%	0.628	49%	0.494	S	S	*	.	H	α-helix	trans	-70	-41.3	176.7	-176.2	62.7	0	0	0	111.7	V216 K217 T218 S223 L224	V216-L220 WeakPolarHBondContact O-CB 3.23Å; V216-L220 PolarHBondContact O-N 3.31Å; K217-L220 PolarHBondContact O-N 2.93Å; K217-L220 VanDerWaalsContact O-N 3.11Å; T218-L220 VanDerWaalsContact C-N 3.35Å; T218-L220 PolarHBondContact O-N 3.46Å; L220-S223 PolarHBondContact O-N 3.02Å; L220-L224 VanDerWaalsContact O-CB 3.28Å; L220-L224 WeakPolarHBondContact O-CB 3.06Å; L220-L224 PolarHBondContact O-N 2.92Å
221	E	97.2	Very high	96.8	Very high	102 Å²	102	94.8 Å²	94.8	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-43.1	175.2	-72.1	173	155.8	0	0	111.3	K217 T218 L224 S225	K217-E221 VanDerWaalsContact CE-CD 3.43Å; K217-E221 WeakPolarHBondContact CE-OE1 3.42Å; K217-E221 WeakPolarHBondContact CE-OE2 3.25Å; K217-E221 HydrophobicContact CG-CG 4.42Å; K217-E221 IonicContact NZ-OE1 3.92Å; K217-E221 WeakPolarHBondContact O-CG 3.3Å; K217-E221 PolarHBondContact O-N 3.28Å; T218-E221 PolarHBondContact O-N 2.82Å; E221-L224 PolarHBondContact O-N 3.46Å; E221-S225 PolarHBondContact O-N 3.29Å
222	E	96.8	Very high	96.8	Very high	106 Å²	106	94.8 Å²	94.8	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-60.1	-45.3	170.9	-86.7	-166.8	-137.7	0	0	112.5	T218 S225 K226	T218-E222 WeakPolarHBondContact O-CB 3.3Å; T218-E222 PolarHBondContact O-N 2.79Å; E222-S225 PolarHBondContact O-N 2.78Å; E222-K226 WeakPolarHBondContact O-CD 3.35Å; E222-K226 VanDerWaalsContact O-CG 3.25Å; E222-K226 WeakPolarHBondContact O-CG 3.2Å; E222-K226 PolarHBondContact O-N 2.96Å; E222-K226 IonicContact OE2-NZ 3.5Å; E222-K226 PolarHBondContact OE2-NZ 3.14Å
223	S	96.6	Very high	96.8	Very high	66 Å²	66	95.1 Å²	95.1	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-43.3	179.6	-167.7	0	0	0	0	111.2	K219 L220 S225 K226 E227	K219-S223 VanDerWaalsContact O-CB 3.32Å; K219-S223 WeakPolarHBondContact O-CB 3.43Å; K219-S223 PolarHBondContact O-N 3.05Å; L220-S223 PolarHBondContact O-N 3.02Å; S223-S225 VanDerWaalsContact C-N 3.35Å; S223-K226 PolarHBondContact O-N 2.96Å; S223-E227 WeakPolarHBondContact O-CB 3.49Å; S223-E227 PolarHBondContact O-N 3.31Å
224	L	96.3	Very high	96.7	Very high	80 Å²	80	94.1 Å²	94.1	42%	0.419	49%	0.485	S	S	.	.	H	α-helix	trans	-67.8	-32.2	177.5	-177.6	62.9	0	0	0	112.4	L220 E221 K228	L220-L224 VanDerWaalsContact O-CB 3.28Å; L220-L224 WeakPolarHBondContact O-CB 3.06Å; L220-L224 PolarHBondContact O-N 2.92Å; E221-L224 PolarHBondContact O-N 3.46Å; L224-K228 HydrophobicContact CG-CD 4.38Å; L224-K228 WeakPolarHBondContact O-CB 3.39Å; L224-K228 WeakPolarHBondContact O-CD 3.26Å; L224-K228 WeakPolarHBondContact O-CG 3.18Å; L224-K228 PolarHBondContact O-N 3.43Å; L224-K228 VanDerWaalsContact O-N 3.1Å
225	S	96.6	Very high	96.7	Very high	58 Å²	58	95.3 Å²	95.3	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-54.6	169.8	-163.6	0	0	0	0	110.2	E221 E222 S223 E227 K228 D229	E221-S225 PolarHBondContact O-N 3.29Å; E222-S225 PolarHBondContact O-N 2.78Å; S223-S225 VanDerWaalsContact C-N 3.35Å; S225-E227 PolarHBondContact O-N 3.37Å; S225-K228 CarbonylContact O-C 3.56Å; S225-K228 WeakPolarHBondContact O-CA 3.34Å; S225-K228 WeakPolarHBondContact O-CB 3.18Å; S225-K228 PolarHBondContact O-N 2.91Å; S225-D229 VanDerWaalsContact C-OD2 3.32Å; S225-D229 WeakPolarHBondContact O-CB 3.49Å; S225-D229 PolarHBondContact O-N 3.1Å; S225-D229 PolarHBondContact OG-OD2 2.86Å; S225-D229 VanDerWaalsContact OG-OD2 3.05Å
226	K	96.9	Very high	96.7	Very high	122 Å²	122	97.1 Å²	97.1	53%	0.53	50%	0.496	S	S	.	.	H	α-helix	trans	-57.4	-37.3	-178.8	-68.2	160.5	-167.4	167.2	0	112.5	E222 S223 L230	E222-K226 WeakPolarHBondContact O-CD 3.35Å; E222-K226 VanDerWaalsContact O-CG 3.25Å; E222-K226 WeakPolarHBondContact O-CG 3.2Å; E222-K226 PolarHBondContact O-N 2.96Å; E222-K226 IonicContact OE2-NZ 3.5Å; E222-K226 PolarHBondContact OE2-NZ 3.14Å; S223-K226 PolarHBondContact O-N 2.96Å; K226-L230 VanDerWaalsContact O-CB 3.25Å; K226-L230 WeakPolarHBondContact O-CB 3.44Å; K226-L230 PolarHBondContact O-N 2.84Å
227	E	96.3	Very high	96.7	Very high	127 Å²	127	97.7 Å²	97.7	59%	0.593	49%	0.493	S	S	*	.	H	α-helix	trans	-67.9	-42.9	174.4	-173.6	175.4	-168.5	0	0	112.4	S223 S225 A231	S223-E227 WeakPolarHBondContact O-CB 3.49Å; S223-E227 PolarHBondContact O-N 3.31Å; S225-E227 PolarHBondContact O-N 3.37Å; E227-A231 VanDerWaalsContact O-CB 3.27Å; E227-A231 WeakPolarHBondContact O-CB 3.27Å; E227-A231 PolarHBondContact O-N 3.31Å
228	K	96.5	Very high	96.6	Very high	115 Å²	115	97.2 Å²	97.2	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-64	-43.7	173.5	-75.4	168.5	-179.1	172.6	0	112.2	L224 S225 L230 A231 N232	L224-K228 HydrophobicContact CG-CD 4.38Å; L224-K228 WeakPolarHBondContact O-CB 3.39Å; L224-K228 WeakPolarHBondContact O-CD 3.26Å; L224-K228 WeakPolarHBondContact O-CG 3.18Å; L224-K228 PolarHBondContact O-N 3.43Å; L224-K228 VanDerWaalsContact O-N 3.1Å; S225-K228 CarbonylContact O-C 3.56Å; S225-K228 WeakPolarHBondContact O-CA 3.34Å; S225-K228 WeakPolarHBondContact O-CB 3.18Å; S225-K228 PolarHBondContact O-N 2.91Å; K228-L230 VanDerWaalsContact C-N 3.35Å; K228-A231 PolarHBondContact O-N 2.87Å; K228-N232 WeakPolarHBondContact O-CB 3.39Å; K228-N232 PolarHBondContact O-N 3.46Å; K228-N232 PolarHBondContact O-ND2 3.34Å; K228-N232 VanDerWaalsContact O-ND2 3.16Å
229	D	96.3	Very high	96.6	Very high	88 Å²	88	99.6 Å²	99.6	47%	0.471	50%	0.501	S	S	.	.	H	α-helix	trans	-64.4	-41.9	-179.7	-62.4	-37.9	0	0	0	110.4	S225 N232 Q233	S225-D229 VanDerWaalsContact C-OD2 3.32Å; S225-D229 WeakPolarHBondContact O-CB 3.49Å; S225-D229 PolarHBondContact O-N 3.1Å; S225-D229 PolarHBondContact OG-OD2 2.86Å; S225-D229 VanDerWaalsContact OG-OD2 3.05Å; D229-N232 PolarHBondContact O-N 2.93Å; D229-Q233 PolarHBondContact O-N 3.07Å
230	L	96.5	Very high	96.6	Very high	100 Å²	100	101.7 Å²	101.7	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-43.3	172.5	-177.5	64.9	0	0	0	112.4	K226 K228 N232 Q233 I234	K226-L230 VanDerWaalsContact O-CB 3.25Å; K226-L230 WeakPolarHBondContact O-CB 3.44Å; K226-L230 PolarHBondContact O-N 2.84Å; K228-L230 VanDerWaalsContact C-N 3.35Å; L230-N232 VanDerWaalsContact C-N 3.35Å; L230-Q233 PolarHBondContact O-N 2.85Å; L230-I234 HydrophobicContact CD1-CD1 4.17Å; L230-I234 HydrophobicContact CD1-CG1 4.48Å; L230-I234 HydrophobicContact CG-CD1 3.95Å; L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.38Å; L230-I234 PolarHBondContact O-N 3.08Å
231	A	96.1	Very high	96.7	Very high	53 Å²	53	99 Å²	99	44%	0.438	50%	0.496	S	S	.	.	H	α-helix	trans	-64.1	-39.8	177.2	0	0	0	0	0	111.9	E227 K228 I234 Q235	E227-A231 VanDerWaalsContact O-CB 3.27Å; E227-A231 WeakPolarHBondContact O-CB 3.27Å; E227-A231 PolarHBondContact O-N 3.31Å; K228-A231 PolarHBondContact O-N 2.87Å; A231-I234 PolarHBondContact O-N 3.16Å; A231-Q235 WeakPolarHBondContact O-CB 3.42Å; A231-Q235 PolarHBondContact O-N 3Å
232	N	96.8	Very high	96.6	Very high	82 Å²	82	99.6 Å²	99.6	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-47.1	173	-71.7	-28.7	0	0	0	111	K228 D229 L230 I234 Q235 E236	K228-N232 WeakPolarHBondContact O-CB 3.39Å; K228-N232 PolarHBondContact O-N 3.46Å; K228-N232 PolarHBondContact O-ND2 3.34Å; K228-N232 VanDerWaalsContact O-ND2 3.16Å; D229-N232 PolarHBondContact O-N 2.93Å; L230-N232 VanDerWaalsContact C-N 3.35Å; N232-I234 PolarHBondContact O-N 3.18Å; N232-Q235 WeakPolarHBondContact O-CB 3.32Å; N232-Q235 PolarHBondContact O-N 2.75Å; N232-E236 WeakPolarHBondContact O-CG 3.4Å; N232-E236 PolarHBondContact O-N 3.3Å
233	Q	96.7	Very high	96.7	Very high	104 Å²	104	101 Å²	101	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-46.9	176.6	-175.8	-175.4	-18.6	0	0	111.7	D229 L230 Q235 E236 E237	D229-Q233 PolarHBondContact O-N 3.07Å; L230-Q233 PolarHBondContact O-N 2.85Å; Q233-Q235 VanDerWaalsContact C-N 3.28Å; Q233-Q235 PolarHBondContact O-N 2.85Å; Q233-E236 PolarHBondContact O-N 3.37Å; Q233-E237 PolarHBondContact NE2-OE1 2.96Å; Q233-E237 WeakPolarHBondContact O-CG 3.36Å; Q233-E237 PolarHBondContact O-N 3.25Å
234	I	96.2	Very high	96.7	Very high	96 Å²	96	101 Å²	101	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-39.1	177.1	-69.1	167.1	0	0	0	110.7	L230 A231 N232 L238	L230-I234 HydrophobicContact CD1-CD1 4.17Å; L230-I234 HydrophobicContact CD1-CG1 4.48Å; L230-I234 HydrophobicContact CG-CD1 3.95Å; L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.38Å; L230-I234 PolarHBondContact O-N 3.08Å; A231-I234 PolarHBondContact O-N 3.16Å; N232-I234 PolarHBondContact O-N 3.18Å; I234-L238 WeakPolarHBondContact O-CB 3.41Å; I234-L238 PolarHBondContact O-N 2.92Å
235	Q	96.5	Very high	96.7	Very high	108 Å²	108	103.6 Å²	103.6	51%	0.505	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-42.9	175.5	-171.6	-176.1	-91.5	0	0	112	A231 N232 Q233 L238 Q239	A231-Q235 WeakPolarHBondContact O-CB 3.42Å; A231-Q235 PolarHBondContact O-N 3Å; N232-Q235 WeakPolarHBondContact O-CB 3.32Å; N232-Q235 PolarHBondContact O-N 2.75Å; Q233-Q235 VanDerWaalsContact C-N 3.28Å; Q233-Q235 PolarHBondContact O-N 2.85Å; Q235-L238 PolarHBondContact O-N 3.12Å; Q235-Q239 WeakPolarHBondContact O-CB 3.49Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.4Å; Q235-Q239 PolarHBondContact O-N 3.42Å
236	E	97	Very high	96.8	Very high	134 Å²	134	105.7 Å²	105.7	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-65.5	-43.6	176.9	-74.4	-174.6	-173.4	0	0	112.1	N232 Q233 Q239 K240	N232-E236 WeakPolarHBondContact O-CG 3.4Å; N232-E236 PolarHBondContact O-N 3.3Å; Q233-E236 PolarHBondContact O-N 3.37Å; E236-Q239 PolarHBondContact O-N 3.22Å; E236-K240 VanDerWaalsContact O-CB 3.23Å; E236-K240 WeakPolarHBondContact O-CB 3.49Å; E236-K240 PolarHBondContact O-N 3.32Å
237	E	97	Very high	96.8	Very high	110 Å²	110	103.9 Å²	103.9	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-41.6	175	-74	-177.7	-160	0	0	111.7	Q233 K240 D241	Q233-E237 PolarHBondContact NE2-OE1 2.96Å; Q233-E237 WeakPolarHBondContact O-CG 3.36Å; Q233-E237 PolarHBondContact O-N 3.25Å; E237-K240 WeakPolarHBondContact O-CB 3.33Å; E237-K240 PolarHBondContact O-N 3.22Å; E237-D241 PolarHBondContact O-N 3Å
238	L	96.2	Very high	96.8	Very high	87 Å²	87	102.8 Å²	102.8	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-69.6	-39.6	177.2	-175.1	61.6	0	0	0	112.6	I234 Q235 K240 D241 F242	I234-L238 WeakPolarHBondContact O-CB 3.41Å; I234-L238 PolarHBondContact O-N 2.92Å; Q235-L238 PolarHBondContact O-N 3.12Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 2.78Å; L238-D241 PolarHBondContact O-N 2.69Å; L238-F242 HydrophobicContact CD1-CD2 3.93Å; L238-F242 HydrophobicContact CD1-CE2 3.49Å; L238-F242 VanDerWaalsContact CD1-CE2 3.49Å; L238-F242 HydrophobicContact CD1-CZ 3.97Å; L238-F242 HydrophobicContact CD2-CE2 4.02Å; L238-F242 HydrophobicContact CG-CD2 3.82Å; L238-F242 HydrophobicContact CG-CE2 3.55Å; L238-F242 HydrophobicContact CG-CZ 4.48Å; L238-F242 VanDerWaalsContact O-CD2 3.27Å; L238-F242 WeakPolarHBondContact O-CD2 3.36Å; L238-F242 PolarHBondContact O-N 2.9Å
239	Q	96.9	Very high	96.8	Very high	118 Å²	118	99.4 Å²	99.4	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-62.7	-38.2	171.9	-76.9	-177.8	15.7	0	0	111.4	Q235 E236 K243	Q235-Q239 WeakPolarHBondContact O-CB 3.49Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.4Å; Q235-Q239 PolarHBondContact O-N 3.42Å; E236-Q239 PolarHBondContact O-N 3.22Å; Q239-K243 VanDerWaalsContact O-CB 3.22Å; Q239-K243 WeakPolarHBondContact O-CB 3.24Å; Q239-K243 PolarHBondContact O-N 3.27Å
240	K	97.1	Very high	96.8	Very high	160 Å²	160	99.9 Å²	99.9	70%	0.696	50%	0.501	S	S	*	.	H	α-helix	trans	-68	-42	176.4	-176.5	-178.8	176.4	-174.5	0	112.3	E236 E237 L238 S244	E236-K240 VanDerWaalsContact O-CB 3.23Å; E236-K240 WeakPolarHBondContact O-CB 3.49Å; E236-K240 PolarHBondContact O-N 3.32Å; E237-K240 WeakPolarHBondContact O-CB 3.33Å; E237-K240 PolarHBondContact O-N 3.22Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 2.78Å; K240-S244 WeakPolarHBondContact O-CB 3.14Å; K240-S244 PolarHBondContact O-N 3.49Å; K240-S244 PolarHBondContact O-OG 3.47Å
241	D	97.4	Very high	96.8	Very high	62 Å²	62	98 Å²	98	33%	0.332	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-57.4	171.7	176.1	63.3	0	0	0	110.8	E237 L238 K243 S244 R245	E237-D241 PolarHBondContact O-N 3Å; L238-D241 PolarHBondContact O-N 2.69Å; D241-K243 VanDerWaalsContact C-N 3.28Å; D241-K243 PolarHBondContact O-N 3.1Å; D241-S244 PolarHBondContact O-N 2.95Å; D241-S244 VanDerWaalsContact O-N 3.07Å; D241-S244 PolarHBondContact O-OG 3.42Å; D241-R245 VanDerWaalsContact CG-CD 3.4Å; D241-R245 WeakPolarHBondContact O-CG 3.5Å; D241-R245 PolarHBondContact O-N 2.82Å; D241-R245 WeakPolarHBondContact OD1-CD 3.2Å; D241-R245 WeakPolarHBondContact OD2-CD 3.35Å; D241-R245 IonicContact OD2-CZ 3.53Å; D241-R245 IonicContact OD2-NE 2.74Å; D241-R245 IonicContact OD2-NH1 3.51Å; D241-R245 PolarHBondContact OD2-NH1 3.04Å
242	F	96.4	Very high	96.9	Very high	116 Å²	116	99.2 Å²	99.2	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-58.3	-39.3	-179.2	-76.7	-48.7	0	0	0	112.6	L238 R245 L246	L238-F242 HydrophobicContact CD1-CD2 3.93Å; L238-F242 HydrophobicContact CD1-CE2 3.49Å; L238-F242 VanDerWaalsContact CD1-CE2 3.49Å; L238-F242 HydrophobicContact CD1-CZ 3.97Å; L238-F242 HydrophobicContact CD2-CE2 4.02Å; L238-F242 HydrophobicContact CG-CD2 3.82Å; L238-F242 HydrophobicContact CG-CE2 3.55Å; L238-F242 HydrophobicContact CG-CZ 4.48Å; L238-F242 VanDerWaalsContact O-CD2 3.27Å; L238-F242 WeakPolarHBondContact O-CD2 3.36Å; L238-F242 PolarHBondContact O-N 2.9Å; F242-R245 PolarHBondContact O-N 3.16Å; F242-L246 VanDerWaalsContact O-CB 3.28Å; F242-L246 WeakPolarHBondContact O-CB 3.33Å; F242-L246 PolarHBondContact O-N 3.03Å
243	K	97.8	Very high	96.9	Very high	135 Å²	135	99.6 Å²	99.6	59%	0.587	50%	0.497	S	S	*	.	H	α-helix	trans	-63.3	-48	174.1	-176.3	171.6	-179.8	177.2	0	111.8	Q239 D241 R245 L246 D247	Q239-K243 VanDerWaalsContact O-CB 3.22Å; Q239-K243 WeakPolarHBondContact O-CB 3.24Å; Q239-K243 PolarHBondContact O-N 3.27Å; D241-K243 VanDerWaalsContact C-N 3.28Å; D241-K243 PolarHBondContact O-N 3.1Å; K243-R245 VanDerWaalsContact C-N 3.28Å; K243-R245 PolarHBondContact O-N 2.82Å; K243-L246 PolarHBondContact O-N 2.91Å; K243-D247 WeakPolarHBondContact O-CB 3.22Å; K243-D247 PolarHBondContact O-N 3.24Å
244	S	96.6	Very high	96.9	Very high	65 Å²	65	100.3 Å²	100.3	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-36.5	179	76.7	0	0	0	0	112.7	K240 D241 L248	K240-S244 WeakPolarHBondContact O-CB 3.14Å; K240-S244 PolarHBondContact O-N 3.49Å; K240-S244 PolarHBondContact O-OG 3.47Å; D241-S244 PolarHBondContact O-N 2.95Å; D241-S244 VanDerWaalsContact O-N 3.07Å; D241-S244 PolarHBondContact O-OG 3.42Å; S244-L248 VanDerWaalsContact O-CB 3.29Å; S244-L248 WeakPolarHBondContact O-CB 3.43Å; S244-L248 PolarHBondContact O-N 2.88Å
245	R	97.9	Very high	96.9	Very high	136 Å²	136	99.9 Å²	99.9	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-72.7	-35.8	176.4	-70.5	165.4	64.7	-174.6	2.7	112.2	D241 F242 K243 A249	D241-R245 VanDerWaalsContact CG-CD 3.4Å; D241-R245 WeakPolarHBondContact O-CG 3.5Å; D241-R245 PolarHBondContact O-N 2.82Å; D241-R245 WeakPolarHBondContact OD1-CD 3.2Å; D241-R245 WeakPolarHBondContact OD2-CD 3.35Å; D241-R245 IonicContact OD2-CZ 3.53Å; D241-R245 IonicContact OD2-NE 2.74Å; D241-R245 IonicContact OD2-NH1 3.51Å; D241-R245 PolarHBondContact OD2-NH1 3.04Å; F242-R245 PolarHBondContact O-N 3.16Å; K243-R245 VanDerWaalsContact C-N 3.28Å; K243-R245 PolarHBondContact O-N 2.82Å; R245-A249 WeakPolarHBondContact O-CB 3.28Å; R245-A249 PolarHBondContact O-N 3.45Å
246	L	97.2	Very high	96.9	Very high	101 Å²	101	100.2 Å²	100.2	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-48.5	171.8	179.4	61.9	0	0	0	110.8	F242 K243 L248 A249 L250	F242-L246 VanDerWaalsContact O-CB 3.28Å; F242-L246 WeakPolarHBondContact O-CB 3.33Å; F242-L246 PolarHBondContact O-N 3.03Å; K243-L246 PolarHBondContact O-N 2.91Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.32Å; L246-A249 PolarHBondContact O-N 3.36Å; L246-L250 HydrophobicContact CD1-CD1 4.1Å; L246-L250 HydrophobicContact CD1-CG 4.15Å; L246-L250 HydrophobicContact CG-CD1 3.95Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CB 3.33Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.49Å
247	D	97	Very high	96.9	Very high	85 Å²	85	101.1 Å²	101.1	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-60.7	-42	177.8	-69.9	-27.6	0	0	0	111.3	K243 L250 S251	K243-D247 WeakPolarHBondContact O-CB 3.22Å; K243-D247 PolarHBondContact O-N 3.24Å; D247-L250 PolarHBondContact O-N 2.89Å; D247-S251 VanDerWaalsContact O-CB 3.31Å; D247-S251 WeakPolarHBondContact O-CB 3.42Å; D247-S251 PolarHBondContact O-N 2.81Å
248	L	96.8	Very high	96.9	Very high	104 Å²	104	99.1 Å²	99.1	55%	0.545	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-43.9	173.1	179.7	61.6	0	0	0	112.4	S244 L246 S251 N252	S244-L248 VanDerWaalsContact O-CB 3.29Å; S244-L248 WeakPolarHBondContact O-CB 3.43Å; S244-L248 PolarHBondContact O-N 2.88Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.32Å; L248-S251 PolarHBondContact O-N 3.49Å; L248-N252 WeakPolarHBondContact O-CB 3.33Å; L248-N252 VanDerWaalsContact O-CG 3.3Å; L248-N252 PolarHBondContact O-N 2.88Å; L248-N252 PolarHBondContact O-ND2 3.2Å
249	A	96.4	Very high	96.9	Very high	43 Å²	43	100.2 Å²	100.2	36%	0.355	50%	0.495	S	S	.	.	H	α-helix	trans	-66.1	-38.7	177.8	0	0	0	0	0	112.1	R245 L246 N253	R245-A249 WeakPolarHBondContact O-CB 3.28Å; R245-A249 PolarHBondContact O-N 3.45Å; L246-A249 PolarHBondContact O-N 3.36Å; A249-N253 WeakPolarHBondContact O-CB 3.47Å; A249-N253 PolarHBondContact O-N 2.91Å; A249-N253 PolarHBondContact O-ND2 3.18Å
250	L	97.5	Very high	96.9	Very high	99 Å²	99	100.8 Å²	100.8	52%	0.518	50%	0.498	S	S	.	.	H	α-helix	trans	-66.6	-43.2	174.6	-72.1	171.5	0	0	0	111.4	L246 D247 N253 K254	L246-L250 HydrophobicContact CD1-CD1 4.1Å; L246-L250 HydrophobicContact CD1-CG 4.15Å; L246-L250 HydrophobicContact CG-CD1 3.95Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CB 3.33Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.49Å; D247-L250 PolarHBondContact O-N 2.89Å; L250-N253 PolarHBondContact O-N 3.41Å; L250-K254 PolarHBondContact O-N 3.45Å
251	S	96.1	Very high	96.9	Very high	60 Å²	60	96.2 Å²	96.2	42%	0.42	49%	0.486	S	S	.	.	H	α-helix	trans	-59.2	-47.9	173.5	-174.4	0	0	0	0	111.5	D247 L248 N253 K254 N255	D247-S251 VanDerWaalsContact O-CB 3.31Å; D247-S251 WeakPolarHBondContact O-CB 3.42Å; D247-S251 PolarHBondContact O-N 2.81Å; L248-S251 PolarHBondContact O-N 3.49Å; S251-N253 PolarHBondContact O-N 2.89Å; S251-K254 WeakPolarHBondContact O-CB 3.46Å; S251-K254 PolarHBondContact O-N 2.9Å; S251-N255 PolarHBondContact O-N 2.87Å; S251-N255 PolarHBondContact O-ND2 2.81Å
252	N	97.2	Very high	96.9	Very high	78 Å²	78	97.8 Å²	97.8	42%	0.417	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-41.5	176.6	-72.7	-18.9	0	0	0	112.6	L248 K254 N255 L256	L248-N252 WeakPolarHBondContact O-CB 3.33Å; L248-N252 VanDerWaalsContact O-CG 3.3Å; L248-N252 PolarHBondContact O-N 2.88Å; L248-N252 PolarHBondContact O-ND2 3.2Å; N252-K254 VanDerWaalsContact C-N 3.31Å; N252-K254 PolarHBondContact O-N 3.18Å; N252-N255 PolarHBondContact O-N 3.19Å; N252-L256 WeakPolarHBondContact O-CB 3.34Å; N252-L256 VanDerWaalsContact O-CG 3.3Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.46Å
253	N	96.8	Very high	96.8	Very high	91 Å²	91	96.4 Å²	96.4	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-35.8	174.3	-88.1	-87.7	0	0	0	112.4	A249 L250 S251 R257	A249-N253 WeakPolarHBondContact O-CB 3.47Å; A249-N253 PolarHBondContact O-N 2.91Å; A249-N253 PolarHBondContact O-ND2 3.18Å; L250-N253 PolarHBondContact O-N 3.41Å; S251-N253 PolarHBondContact O-N 2.89Å; N253-R257 WeakPolarHBondContact O-CB 3.39Å; N253-R257 PolarHBondContact O-N 3.34Å
254	K	97.2	Very high	96.8	Very high	119 Å²	119	94.3 Å²	94.3	52%	0.517	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-53.7	171.5	-174.5	-170.9	170.9	-169.5	0	110.4	L250 S251 N252 L256 R257 D258	L250-K254 PolarHBondContact O-N 3.45Å; S251-K254 WeakPolarHBondContact O-CB 3.46Å; S251-K254 PolarHBondContact O-N 2.9Å; N252-K254 VanDerWaalsContact C-N 3.31Å; N252-K254 PolarHBondContact O-N 3.18Å; K254-L256 VanDerWaalsContact C-N 3.26Å; K254-L256 PolarHBondContact O-N 3.43Å; K254-R257 PolarHBondContact O-N 2.74Å; K254-D258 WeakPolarHBondContact CE-OD2 3.36Å; K254-D258 WeakPolarHBondContact O-CB 3.35Å; K254-D258 VanDerWaalsContact O-CG 3.26Å; K254-D258 PolarHBondContact O-N 2.8Å
255	N	96.5	Very high	96.8	Very high	86 Å²	86	95.3 Å²	95.3	46%	0.46	49%	0.491	S	S	.	.	H	α-helix	trans	-57.2	-39.2	-179	-64.6	-29.1	0	0	0	112.3	S251 N252 H259	S251-N255 PolarHBondContact O-N 2.87Å; S251-N255 PolarHBondContact O-ND2 2.81Å; N252-N255 PolarHBondContact O-N 3.19Å; N255-H259 VanDerWaalsContact O-CB 3.28Å; N255-H259 WeakPolarHBondContact O-CB 3.28Å; N255-H259 PolarHBondContact O-N 3.46Å
256	L	96.3	Very high	96.8	Very high	116 Å²	116	96 Å²	96	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-67.7	-41.5	174.7	-72.1	170	0	0	0	112.6	N252 K254 H259 Q260	N252-L256 WeakPolarHBondContact O-CB 3.34Å; N252-L256 VanDerWaalsContact O-CG 3.3Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.46Å; K254-L256 VanDerWaalsContact C-N 3.26Å; K254-L256 PolarHBondContact O-N 3.43Å; L256-H259 PolarHBondContact O-N 2.95Å; L256-Q260 VanDerWaalsContact O-CB 3.28Å; L256-Q260 WeakPolarHBondContact O-CB 3.3Å; L256-Q260 PolarHBondContact O-N 2.85Å
257	R	97.2	Very high	96.7	Very high	152 Å²	152	95 Å²	95	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-66.8	-42.1	175.8	-172.9	-176.3	-61.5	118.2	1.9	112	N253 K254 Q260 S261	N253-R257 WeakPolarHBondContact O-CB 3.39Å; N253-R257 PolarHBondContact O-N 3.34Å; K254-R257 PolarHBondContact O-N 2.74Å; R257-Q260 WeakPolarHBondContact O-CB 3.21Å; R257-Q260 PolarHBondContact O-N 2.91Å; R257-S261 PolarHBondContact O-N 3.07Å
258	D	96.8	Very high	96.7	Very high	68 Å²	68	95.3 Å²	95.3	36%	0.364	49%	0.487	S	S	.	.	H	α-helix	trans	-63.2	-45.6	177.1	-66.6	-1.7	0	0	0	109.2	K254 S261 V262	K254-D258 WeakPolarHBondContact CE-OD2 3.36Å; K254-D258 WeakPolarHBondContact O-CB 3.35Å; K254-D258 VanDerWaalsContact O-CG 3.26Å; K254-D258 PolarHBondContact O-N 2.8Å; D258-S261 PolarHBondContact O-N 2.9Å; D258-S261 PolarHBondContact O-OG 3.43Å; D258-V262 WeakPolarHBondContact O-CG2 3.46Å; D258-V262 PolarHBondContact O-N 2.86Å; D258-V262 VanDerWaalsContact O-N 3.1Å
259	H	96.6	Very high	96.6	Very high	110 Å²	110	92.5 Å²	92.5	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-40.9	174.4	-171.8	55.8	0	0	0	112.9	N255 L256 S261 V262 L263	N255-H259 VanDerWaalsContact O-CB 3.28Å; N255-H259 WeakPolarHBondContact O-CB 3.28Å; N255-H259 PolarHBondContact O-N 3.46Å; L256-H259 PolarHBondContact O-N 2.95Å; H259-S261 VanDerWaalsContact C-N 3.3Å; H259-S261 PolarHBondContact O-N 3.27Å; H259-V262 PolarHBondContact O-N 2.97Å; H259-L263 WeakPolarHBondContact O-CG 3.27Å; H259-L263 PolarHBondContact O-N 3.43Å
260	Q	97.2	Very high	96.5	Very high	130 Å²	130	94 Å²	94	61%	0.607	48%	0.48	S	S	*	.	H	α-helix	trans	-58.1	-42.7	173	-177.5	-174.9	1.4	0	0	111	L256 R257 L263 Q264	L256-Q260 VanDerWaalsContact O-CB 3.28Å; L256-Q260 WeakPolarHBondContact O-CB 3.3Å; L256-Q260 PolarHBondContact O-N 2.85Å; R257-Q260 WeakPolarHBondContact O-CB 3.21Å; R257-Q260 PolarHBondContact O-N 2.91Å; Q260-L263 PolarHBondContact O-N 2.96Å; Q260-Q264 VanDerWaalsContact O-CB 3.3Å; Q260-Q264 WeakPolarHBondContact O-CB 3.42Å; Q260-Q264 PolarHBondContact O-N 3.48Å
261	S	95.9	Very high	96.5	Very high	65 Å²	65	94.1 Å²	94.1	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-41.4	178.1	77.5	0	0	0	0	112.3	R257 D258 H259 Q264 T265	R257-S261 PolarHBondContact O-N 3.07Å; D258-S261 PolarHBondContact O-N 2.9Å; D258-S261 PolarHBondContact O-OG 3.43Å; H259-S261 VanDerWaalsContact C-N 3.3Å; H259-S261 PolarHBondContact O-N 3.27Å; S261-Q264 PolarHBondContact O-N 3.44Å; S261-T265 PolarHBondContact O-N 2.88Å; S261-T265 PolarHBondContact O-OG1 3.32Å
262	V	97.1	Very high	96.5	Very high	95 Å²	95	98 Å²	98	58%	0.576	49%	0.489	S	S	*	.	H	α-helix	trans	-64.8	-41.1	176.2	173	0	0	0	0	111.4	D258 H259 R266	D258-V262 WeakPolarHBondContact O-CG2 3.46Å; D258-V262 PolarHBondContact O-N 2.86Å; D258-V262 VanDerWaalsContact O-N 3.1Å; H259-V262 PolarHBondContact O-N 2.97Å; V262-R266 VanDerWaalsContact O-CB 3.29Å; V262-R266 WeakPolarHBondContact O-CB 3.47Å; V262-R266 PolarHBondContact O-N 2.91Å
263	L	95.4	Very high	96.5	Very high	86 Å²	86	101 Å²	101	45%	0.45	50%	0.499	S	S	.	.	H	α-helix	trans	-66.3	-40.9	174.7	-71.2	178.4	0	0	0	112	H259 Q260 R266 I267	H259-L263 WeakPolarHBondContact O-CG 3.27Å; H259-L263 PolarHBondContact O-N 3.43Å; Q260-L263 PolarHBondContact O-N 2.96Å; L263-R266 PolarHBondContact O-N 2.92Å; L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.26Å; L263-I267 PolarHBondContact O-N 3.39Å
264	Q	97.5	Very high	96.4	Very high	91 Å²	91	100.8 Å²	100.8	43%	0.425	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-52.9	177.2	-178.4	61.3	30.3	0	0	111.2	Q260 S261 R266 I267 E268	Q260-Q264 VanDerWaalsContact O-CB 3.3Å; Q260-Q264 WeakPolarHBondContact O-CB 3.42Å; Q260-Q264 PolarHBondContact O-N 3.48Å; S261-Q264 PolarHBondContact O-N 3.44Å; Q264-R266 PolarHBondContact O-N 3.17Å; Q264-I267 WeakPolarHBondContact O-CB 3.27Å; Q264-I267 PolarHBondContact O-N 3.49Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.28Å; Q264-E268 PolarHBondContact NE2-OE1 2.95Å; Q264-E268 WeakPolarHBondContact O-CG 3.49Å; Q264-E268 PolarHBondContact O-N 3.23Å
265	T	95.8	Very high	96.4	Very high	86 Å²	86	101.3 Å²	101.3	53%	0.528	50%	0.499	S	S	.	.	H	α-helix	trans	-60	-33	175.2	-57	0	0	0	0	112	S261 A269	S261-T265 PolarHBondContact O-N 2.88Å; S261-T265 PolarHBondContact O-OG1 3.32Å; T265-A269 WeakPolarHBondContact O-CB 3.26Å; T265-A269 PolarHBondContact O-N 2.81Å
266	R	97.6	Very high	96.3	Very high	150 Å²	150	100.6 Å²	100.6	57%	0.566	50%	0.501	S	S	*	.	H	α-helix	trans	-70.9	-36.5	174.8	-176.6	54	176.3	166.7	-1.9	112.7	V262 L263 Q264 L270	V262-R266 VanDerWaalsContact O-CB 3.29Å; V262-R266 WeakPolarHBondContact O-CB 3.47Å; V262-R266 PolarHBondContact O-N 2.91Å; L263-R266 PolarHBondContact O-N 2.92Å; Q264-R266 PolarHBondContact O-N 3.17Å; R266-L270 HydrophobicContact CG-CD1 4.18Å; R266-L270 WeakPolarHBondContact O-CB 3.46Å; R266-L270 VanDerWaalsContact O-CG 3.24Å; R266-L270 WeakPolarHBondContact O-CG 3.47Å; R266-L270 PolarHBondContact O-N 3.28Å; R266-L270 VanDerWaalsContact O-N 3.08Å
267	I	95.9	Very high	96.2	Very high	82 Å²	82	97.4 Å²	97.4	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-47.6	173.2	-72.2	162.6	0	0	0	109.7	L263 Q264 L270 Q271	L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.26Å; L263-I267 PolarHBondContact O-N 3.39Å; Q264-I267 WeakPolarHBondContact O-CB 3.27Å; Q264-I267 PolarHBondContact O-N 3.49Å; I267-L270 PolarHBondContact O-N 2.89Å; I267-Q271 HydrophobicContact CG2-CG 4.35Å; I267-Q271 WeakPolarHBondContact O-CG 3.5Å; I267-Q271 PolarHBondContact O-N 3.16Å
268	E	96.4	Very high	96.1	Very high	91 Å²	91	95.2 Å²	95.2	43%	0.425	48%	0.482	S	S	.	.	H	α-helix	trans	-59	-50.1	178.6	-71.3	162.1	-179.3	0	0	111.7	Q264 L270 Q271 E272	Q264-E268 WeakPolarHBondContact CG-OE1 3.28Å; Q264-E268 PolarHBondContact NE2-OE1 2.95Å; Q264-E268 WeakPolarHBondContact O-CG 3.49Å; Q264-E268 PolarHBondContact O-N 3.23Å; E268-L270 VanDerWaalsContact C-N 3.27Å; E268-L270 PolarHBondContact O-N 2.86Å; E268-Q271 PolarHBondContact O-N 2.92Å; E268-Q271 VanDerWaalsContact O-N 3.16Å; E268-E272 PolarHBondContact O-N 3.32Å
269	A	95.8	Very high	96	Very high	44 Å²	44	96.1 Å²	96.1	36%	0.364	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-27.6	177.1	0	0	0	0	0	113.6	T265 K273	T265-A269 WeakPolarHBondContact O-CB 3.26Å; T265-A269 PolarHBondContact O-N 2.81Å; A269-K273 WeakPolarHBondContact O-CB 3.23Å; A269-K273 PolarHBondContact O-N 3.48Å; A269-K273 VanDerWaalsContact O-N 3.14Å
270	L	95.1	Very high	96	Very high	74 Å²	74	95.9 Å²	95.9	39%	0.387	49%	0.49	S	S	.	.	H	α-helix	trans	-77	-38.3	172.4	-76.1	172	0	0	0	111.9	R266 I267 E268 K273 I274	R266-L270 HydrophobicContact CG-CD1 4.18Å; R266-L270 WeakPolarHBondContact O-CB 3.46Å; R266-L270 VanDerWaalsContact O-CG 3.24Å; R266-L270 WeakPolarHBondContact O-CG 3.47Å; R266-L270 PolarHBondContact O-N 3.28Å; R266-L270 VanDerWaalsContact O-N 3.08Å; I267-L270 PolarHBondContact O-N 2.89Å; E268-L270 VanDerWaalsContact C-N 3.27Å; E268-L270 PolarHBondContact O-N 2.86Å; L270-K273 PolarHBondContact O-N 2.87Å; L270-I274 WeakPolarHBondContact O-CB 3.47Å; L270-I274 WeakPolarHBondContact O-CD1 3.42Å; L270-I274 VanDerWaalsContact O-CG1 3.23Å; L270-I274 WeakPolarHBondContact O-CG1 3.4Å; L270-I274 PolarHBondContact O-N 3.1Å
271	Q	97.4	Very high	95.8	Very high	102 Å²	102	94.4 Å²	94.4	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-40.5	174	-73	176.6	1	0	0	112	I267 E268 I274 K275	I267-Q271 HydrophobicContact CG2-CG 4.35Å; I267-Q271 WeakPolarHBondContact O-CG 3.5Å; I267-Q271 PolarHBondContact O-N 3.16Å; E268-Q271 PolarHBondContact O-N 2.92Å; E268-Q271 VanDerWaalsContact O-N 3.16Å; Q271-I274 PolarHBondContact O-N 2.82Å; Q271-K275 VanDerWaalsContact O-CG 3.31Å; Q271-K275 WeakPolarHBondContact O-CG 3.44Å; Q271-K275 PolarHBondContact O-N 2.87Å
272	E	95.9	Very high	95.8	Very high	142 Å²	142	96.9 Å²	96.9	66%	0.664	49%	0.493	S	S	*	.	H	α-helix	trans	-62.6	-46.6	172.5	-176.6	176.2	-146.8	0	0	111.2	E268 I274 K275 S276	E268-E272 PolarHBondContact O-N 3.32Å; E272-I274 PolarHBondContact O-N 2.95Å; E272-K275 PolarHBondContact O-N 3.46Å; E272-S276 PolarHBondContact O-N 3.46Å
273	K	96.5	Very high	95.6	Very high	140 Å²	140	95.6 Å²	95.6	61%	0.609	49%	0.488	S	S	*	.	H	α-helix	trans	-60.9	-42.5	176.2	-175.5	170.5	-177.8	175.6	0	112.4	A269 L270 S276 T277	A269-K273 WeakPolarHBondContact O-CB 3.23Å; A269-K273 PolarHBondContact O-N 3.48Å; A269-K273 VanDerWaalsContact O-N 3.14Å; L270-K273 PolarHBondContact O-N 2.87Å; K273-S276 PolarHBondContact O-N 2.9Å; K273-T277 PolarHBondContact O-N 3.34Å; K273-T277 PolarHBondContact O-OG1 2.99Å; K273-T277 VanDerWaalsContact O-OG1 3.1Å
274	I	95.3	Very high	95.6	Very high	88 Å²	88	95 Å²	95	45%	0.451	49%	0.485	S	S	.	.	H	α-helix	trans	-57	-55.3	175.6	-74.6	163.6	0	0	0	109.5	L270 Q271 E272 S276 T277 E278	L270-I274 WeakPolarHBondContact O-CB 3.47Å; L270-I274 WeakPolarHBondContact O-CD1 3.42Å; L270-I274 VanDerWaalsContact O-CG1 3.23Å; L270-I274 WeakPolarHBondContact O-CG1 3.4Å; L270-I274 PolarHBondContact O-N 3.1Å; Q271-I274 PolarHBondContact O-N 2.82Å; E272-I274 PolarHBondContact O-N 2.95Å; I274-S276 VanDerWaalsContact C-N 3.3Å; I274-S276 PolarHBondContact O-N 2.99Å; I274-T277 CarbonylContact O-C 3.52Å; I274-T277 PolarHBondContact O-N 2.8Å; I274-T277 PolarHBondContact O-OG1 3.38Å; I274-E278 HydrophobicContact CG2-CG 4.17Å; I274-E278 WeakPolarHBondContact CG2-OE1 3.26Å; I274-E278 WeakPolarHBondContact O-CG 3.24Å; I274-E278 PolarHBondContact O-N 2.92Å
275	K	96.3	Very high	95.5	Very high	130 Å²	130	95 Å²	95	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-54.3	-43.9	177.6	-71.7	167.7	-178.1	173.3	0	112.7	Q271 E272 E278 T279	Q271-K275 VanDerWaalsContact O-CG 3.31Å; Q271-K275 WeakPolarHBondContact O-CG 3.44Å; Q271-K275 PolarHBondContact O-N 2.87Å; E272-K275 PolarHBondContact O-N 3.46Å; K275-E278 WeakPolarHBondContact CA-OE2 3.45Å; K275-E278 PolarHBondContact O-N 3.2Å; K275-T279 PolarHBondContact O-N 3.38Å; K275-T279 PolarHBondContact O-OG1 3.46Å
276	S	95.3	Very high	95.4	Very high	70 Å²	70	95.6 Å²	95.6	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-59.1	-49.5	175.9	-171.8	0	0	0	0	111.3	E272 K273 I274 E278 T279 E280	E272-S276 PolarHBondContact O-N 3.46Å; K273-S276 PolarHBondContact O-N 2.9Å; I274-S276 VanDerWaalsContact C-N 3.3Å; I274-S276 PolarHBondContact O-N 2.99Å; S276-E278 VanDerWaalsContact C-N 3.33Å; S276-E278 PolarHBondContact O-N 2.99Å; S276-T279 PolarHBondContact O-N 3.11Å; S276-T279 PolarHBondContact O-OG1 2.96Å; S276-E280 WeakPolarHBondContact O-CB 3.48Å; S276-E280 PolarHBondContact O-N 3.45Å
277	T	93.8	Very high	95.3	Very high	50 Å²	50	93.9 Å²	93.9	31%	0.307	49%	0.486	S	S	.	.	H	α-helix	trans	-68.9	-28.8	178.3	53.5	0	0	0	0	113.1	K273 I274 N281	K273-T277 PolarHBondContact O-N 3.34Å; K273-T277 PolarHBondContact O-OG1 2.99Å; K273-T277 VanDerWaalsContact O-OG1 3.1Å; I274-T277 CarbonylContact O-C 3.52Å; I274-T277 PolarHBondContact O-N 2.8Å; I274-T277 PolarHBondContact O-OG1 3.38Å; T277-N281 WeakPolarHBondContact O-CB 3.49Å; T277-N281 PolarHBondContact O-N 3.19Å; T277-N281 PolarHBondContact O-ND2 3.33Å
278	E	95.8	Very high	95.1	Very high	105 Å²	105	94 Å²	94	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-66.9	-46.2	172.1	-72.4	170.4	154.4	0	0	110.4	I274 K275 S276 E280 N281 I282	I274-E278 HydrophobicContact CG2-CG 4.17Å; I274-E278 WeakPolarHBondContact CG2-OE1 3.26Å; I274-E278 WeakPolarHBondContact O-CG 3.24Å; I274-E278 PolarHBondContact O-N 2.92Å; K275-E278 WeakPolarHBondContact CA-OE2 3.45Å; K275-E278 PolarHBondContact O-N 3.2Å; S276-E278 VanDerWaalsContact C-N 3.33Å; S276-E278 PolarHBondContact O-N 2.99Å; E278-E280 VanDerWaalsContact C-N 3.35Å; E278-E280 PolarHBondContact O-N 3.05Å; E278-N281 PolarHBondContact O-N 2.85Å; E278-I282 VanDerWaalsContact O-CG1 3.26Å; E278-I282 WeakPolarHBondContact O-CG1 3.47Å; E278-I282 PolarHBondContact O-N 2.62Å
279	T	94.5	Very high	95	Very high	88 Å²	88	95.3 Å²	95.3	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-63.5	-38.5	175.4	52.6	0	0	0	0	112.8	K275 S276 I282 S283	K275-T279 PolarHBondContact O-N 3.38Å; K275-T279 PolarHBondContact O-OG1 3.46Å; S276-T279 PolarHBondContact O-N 3.11Å; S276-T279 PolarHBondContact O-OG1 2.96Å; T279-I282 PolarHBondContact O-N 3.42Å; T279-S283 PolarHBondContact O-N 2.93Å; T279-S283 PolarHBondContact O-OG 2.85Å
280	E	94.9	Very high	95	Very high	104 Å²	104	96.9 Å²	96.9	49%	0.486	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-45.9	174.8	-177.1	179.4	-161.5	0	0	111.6	S276 E278 I282 S283 L284	S276-E280 WeakPolarHBondContact O-CB 3.48Å; S276-E280 PolarHBondContact O-N 3.45Å; E278-E280 VanDerWaalsContact C-N 3.35Å; E278-E280 PolarHBondContact O-N 3.05Å; E280-I282 VanDerWaalsContact C-N 3.31Å; E280-I282 PolarHBondContact O-N 3.25Å; E280-S283 WeakPolarHBondContact CA-OG 3.35Å; E280-S283 PolarHBondContact O-N 2.92Å; E280-S283 PolarHBondContact O-OG 3.21Å; E280-L284 HydrophobicContact CG-CD1 3.98Å; E280-L284 WeakPolarHBondContact O-CB 3.17Å; E280-L284 WeakPolarHBondContact O-CG 3.29Å; E280-L284 PolarHBondContact O-N 2.86Å
281	N	94.1	Very high	94.8	Very high	100 Å²	100	97.1 Å²	97.1	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-37.5	175.2	-85.8	-82.9	0	0	0	112	T277 E278 T285	T277-N281 WeakPolarHBondContact O-CB 3.49Å; T277-N281 PolarHBondContact O-N 3.19Å; T277-N281 PolarHBondContact O-ND2 3.33Å; E278-N281 PolarHBondContact O-N 2.85Å; N281-T285 WeakPolarHBondContact O-CB 3.39Å; N281-T285 PolarHBondContact O-N 3.17Å; N281-T285 PolarHBondContact O-OG1 3.03Å
282	I	95.4	Very high	94.7	Very high	116 Å²	116	100.3 Å²	100.3	60%	0.595	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-47.1	174.9	-70.4	163.7	0	0	0	110.5	E278 T279 E280 T285 E286	E278-I282 VanDerWaalsContact O-CG1 3.26Å; E278-I282 WeakPolarHBondContact O-CG1 3.47Å; E278-I282 PolarHBondContact O-N 2.62Å; T279-I282 PolarHBondContact O-N 3.42Å; E280-I282 VanDerWaalsContact C-N 3.31Å; E280-I282 PolarHBondContact O-N 3.25Å; I282-T285 PolarHBondContact O-N 2.81Å; I282-E286 PolarHBondContact O-N 2.6Å
283	S	94.2	Very high	94.5	Very high	69 Å²	69	96.5 Å²	96.5	48%	0.483	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-43.1	178.3	54.1	0	0	0	0	112.5	T279 E280 T285 E286 E287	T279-S283 PolarHBondContact O-N 2.93Å; T279-S283 PolarHBondContact O-OG 2.85Å; E280-S283 WeakPolarHBondContact CA-OG 3.35Å; E280-S283 PolarHBondContact O-N 2.92Å; E280-S283 PolarHBondContact O-OG 3.21Å; S283-T285 VanDerWaalsContact C-N 3.34Å; S283-T285 PolarHBondContact O-N 2.97Å; S283-E286 PolarHBondContact O-N 3.41Å; S283-E287 WeakPolarHBondContact O-CB 3.42Å; S283-E287 PolarHBondContact O-N 2.93Å
284	L	94.2	Very high	94.3	Very high	74 Å²	74	94.5 Å²	94.5	39%	0.387	49%	0.488	S	S	.	.	H	α-helix	trans	-66.6	-34.5	176.3	-70.3	171.3	0	0	0	112	E280 E287 I288	E280-L284 HydrophobicContact CG-CD1 3.98Å; E280-L284 WeakPolarHBondContact O-CB 3.17Å; E280-L284 WeakPolarHBondContact O-CG 3.29Å; E280-L284 PolarHBondContact O-N 2.86Å; L284-E287 PolarHBondContact O-N 3.31Å; L284-I288 VanDerWaalsContact O-CB 3.32Å; L284-I288 WeakPolarHBondContact O-CB 3.47Å; L284-I288 WeakPolarHBondContact O-CD1 3.49Å; L284-I288 WeakPolarHBondContact O-CG1 3.25Å; L284-I288 PolarHBondContact O-N 3.47Å
285	T	95.2	Very high	94.2	Very high	89 Å²	89	94.6 Å²	94.6	55%	0.546	49%	0.489	S	S	.	.	H	α-helix	trans	-66.5	-41.4	175.1	-62.2	0	0	0	0	111.3	N281 I282 S283 K289	N281-T285 WeakPolarHBondContact O-CB 3.39Å; N281-T285 PolarHBondContact O-N 3.17Å; N281-T285 PolarHBondContact O-OG1 3.03Å; I282-T285 PolarHBondContact O-N 2.81Å; S283-T285 VanDerWaalsContact C-N 3.34Å; S283-T285 PolarHBondContact O-N 2.97Å; T285-K289 VanDerWaalsContact O-CB 3.29Å; T285-K289 WeakPolarHBondContact O-CB 3.32Å; T285-K289 PolarHBondContact O-N 2.73Å
286	E	94	Very high	94	Very high	99 Å²	99	92.1 Å²	92.1	46%	0.463	48%	0.481	S	S	.	.	H	α-helix	trans	-71.3	-35.5	176.1	-169.8	56.9	-146	0	0	112	I282 S283 K289 N290	I282-E286 PolarHBondContact O-N 2.6Å; S283-E286 PolarHBondContact O-N 3.41Å; E286-K289 WeakPolarHBondContact O-CB 3.44Å; E286-K289 PolarHBondContact O-N 2.91Å; E286-K289 IonicContact OE1-NZ 2.75Å; E286-K289 PolarHBondContact OE1-NZ 3.43Å; E286-K289 IonicContact OE2-NZ 3.48Å; E286-K289 PolarHBondContact OE2-NZ 3.4Å; E286-N290 WeakPolarHBondContact O-CB 3.45Å; E286-N290 PolarHBondContact O-N 2.89Å
287	E	94.4	Very high	93.8	Very high	114 Å²	114	92.6 Å²	92.6	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-47.5	171.5	-175	176.1	-164.4	0	0	111.5	S283 L284 K289 N290 V291	S283-E287 WeakPolarHBondContact O-CB 3.42Å; S283-E287 PolarHBondContact O-N 2.93Å; L284-E287 PolarHBondContact O-N 3.31Å; E287-K289 VanDerWaalsContact C-N 3.25Å; E287-K289 PolarHBondContact O-N 2.98Å; E287-N290 WeakPolarHBondContact O-CB 3.22Å; E287-N290 PolarHBondContact O-N 3.43Å; E287-N290 VanDerWaalsContact O-N 3.16Å; E287-V291 HydrophobicContact CG-CG2 4.34Å; E287-V291 WeakPolarHBondContact O-CB 3.47Å; E287-V291 WeakPolarHBondContact O-CG2 3.37Å; E287-V291 PolarHBondContact O-N 2.75Å
288	I	93.2	Very high	93.5	Very high	86 Å²	86	94 Å²	94	44%	0.441	49%	0.49	S	S	.	.	H	α-helix	trans	-58.9	-38.6	174.4	-73.3	164.5	0	0	0	110.9	L284 R292	L284-I288 VanDerWaalsContact O-CB 3.32Å; L284-I288 WeakPolarHBondContact O-CB 3.47Å; L284-I288 WeakPolarHBondContact O-CD1 3.49Å; L284-I288 WeakPolarHBondContact O-CG1 3.25Å; L284-I288 PolarHBondContact O-N 3.47Å; I288-R292 HydrophobicContact CG2-CG 4.47Å; I288-R292 VanDerWaalsContact O-CB 3.25Å; I288-R292 WeakPolarHBondContact O-CB 3.26Å; I288-R292 WeakPolarHBondContact O-CG 3.46Å; I288-R292 PolarHBondContact O-N 3.46Å
289	K	94.8	Very high	93.4	Very high	118 Å²	118	92.5 Å²	92.5	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-43.3	175.2	167.2	164.4	159.6	-88.1	0	112.1	T285 E286 E287 S293	T285-K289 VanDerWaalsContact O-CB 3.29Å; T285-K289 WeakPolarHBondContact O-CB 3.32Å; T285-K289 PolarHBondContact O-N 2.73Å; E286-K289 WeakPolarHBondContact O-CB 3.44Å; E286-K289 PolarHBondContact O-N 2.91Å; E286-K289 IonicContact OE1-NZ 2.75Å; E286-K289 PolarHBondContact OE1-NZ 3.43Å; E286-K289 IonicContact OE2-NZ 3.48Å; E286-K289 PolarHBondContact OE2-NZ 3.4Å; E287-K289 VanDerWaalsContact C-N 3.25Å; E287-K289 PolarHBondContact O-N 2.98Å; K289-S293 PolarHBondContact O-N 3.5Å
290	N	93.8	Very high	93.2	Very high	77 Å²	77	95.5 Å²	95.5	41%	0.412	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-53.6	173.7	-179.4	24.4	0	0	0	111.2	E286 E287 R292 S293 Q294	E286-N290 WeakPolarHBondContact O-CB 3.45Å; E286-N290 PolarHBondContact O-N 2.89Å; E287-N290 WeakPolarHBondContact O-CB 3.22Å; E287-N290 PolarHBondContact O-N 3.43Å; E287-N290 VanDerWaalsContact O-N 3.16Å; N290-R292 VanDerWaalsContact C-N 3.32Å; N290-R292 PolarHBondContact O-N 3.35Å; N290-S293 WeakPolarHBondContact O-CA 3.38Å; N290-S293 WeakPolarHBondContact O-CB 3.32Å; N290-S293 PolarHBondContact O-N 2.87Å; N290-S293 PolarHBondContact O-OG 3.42Å; N290-Q294 PolarHBondContact ND2-NE2 2.96Å; N290-Q294 WeakPolarHBondContact O-CG 3.42Å; N290-Q294 PolarHBondContact O-N 2.97Å; N290-Q294 PolarHBondContact OD1-NE2 2.62Å
291	V	92.3	Very high	92.9	Very high	78 Å²	78	93.2 Å²	93.2	47%	0.473	49%	0.486	S	S	.	.	H	α-helix	trans	-60.2	-38.9	178.7	172.9	0	0	0	0	111.8	E287 Q294 L295	E287-V291 HydrophobicContact CG-CG2 4.34Å; E287-V291 WeakPolarHBondContact O-CB 3.47Å; E287-V291 WeakPolarHBondContact O-CG2 3.37Å; E287-V291 PolarHBondContact O-N 2.75Å; V291-Q294 PolarHBondContact O-N 3.49Å; V291-L295 WeakPolarHBondContact O-CB 3.19Å; V291-L295 PolarHBondContact O-N 3.09Å
292	R	94.3	Very high	92.8	Very high	170 Å²	170	95.8 Å²	95.8	64%	0.642	49%	0.489	S	S	*	.	H	α-helix	trans	-63.3	-41.7	171.5	-77.6	171.8	179.8	175.1	2	112.3	I288 N290 Q294 L295 D296	I288-R292 HydrophobicContact CG2-CG 4.47Å; I288-R292 VanDerWaalsContact O-CB 3.25Å; I288-R292 WeakPolarHBondContact O-CB 3.26Å; I288-R292 WeakPolarHBondContact O-CG 3.46Å; I288-R292 PolarHBondContact O-N 3.46Å; N290-R292 VanDerWaalsContact C-N 3.32Å; N290-R292 PolarHBondContact O-N 3.35Å; R292-Q294 VanDerWaalsContact C-N 3.32Å; R292-Q294 PolarHBondContact O-N 2.99Å; R292-L295 PolarHBondContact O-N 2.92Å; R292-D296 WeakPolarHBondContact O-CB 3.45Å; R292-D296 PolarHBondContact O-N 3.5Å
293	S	91.6	Very high	92.6	Very high	61 Å²	61	95 Å²	95	43%	0.427	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-35.2	176.5	77.7	0	0	0	0	112.6	K289 N290 D296 T297	K289-S293 PolarHBondContact O-N 3.5Å; N290-S293 WeakPolarHBondContact O-CA 3.38Å; N290-S293 WeakPolarHBondContact O-CB 3.32Å; N290-S293 PolarHBondContact O-N 2.87Å; N290-S293 PolarHBondContact O-OG 3.42Å; S293-D296 WeakPolarHBondContact O-CB 3.34Å; S293-T297 WeakPolarHBondContact O-CG2 3.47Å; S293-T297 PolarHBondContact O-N 2.93Å; S293-T297 VanDerWaalsContact O-N 3.08Å; S293-T297 PolarHBondContact O-OG1 3.37Å
294	Q	93.4	Very high	92.4	Very high	99 Å²	99	97.5 Å²	97.5	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-47.7	172.9	-68.4	177	23.1	0	0	110.9	N290 V291 R292 D296 T297 T298	N290-Q294 PolarHBondContact ND2-NE2 2.96Å; N290-Q294 WeakPolarHBondContact O-CG 3.42Å; N290-Q294 PolarHBondContact O-N 2.97Å; N290-Q294 PolarHBondContact OD1-NE2 2.62Å; V291-Q294 PolarHBondContact O-N 3.49Å; R292-Q294 VanDerWaalsContact C-N 3.32Å; R292-Q294 PolarHBondContact O-N 2.99Å; Q294-D296 VanDerWaalsContact C-N 3.31Å; Q294-D296 PolarHBondContact O-N 2.95Å; Q294-T297 WeakPolarHBondContact CA-OG1 3.44Å; Q294-T297 CarbonylContact O-C 3.54Å; Q294-T297 WeakPolarHBondContact O-CA 3.31Å; Q294-T297 PolarHBondContact O-N 3.11Å; Q294-T297 PolarHBondContact O-OG1 2.88Å; Q294-T298 PolarHBondContact O-N 2.69Å; Q294-T298 PolarHBondContact O-OG1 2.87Å
295	L	92.6	Very high	92.1	Very high	90 Å²	90	100.3 Å²	100.3	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-56.8	-43.3	175.2	-179.4	62.5	0	0	0	111.9	V291 R292 T297 T298 N299	V291-L295 WeakPolarHBondContact O-CB 3.19Å; V291-L295 PolarHBondContact O-N 3.09Å; R292-L295 PolarHBondContact O-N 2.92Å; L295-T297 VanDerWaalsContact C-N 3.33Å; L295-T297 PolarHBondContact O-N 3.34Å; L295-T298 WeakPolarHBondContact CA-OG1 3.41Å; L295-T298 PolarHBondContact O-N 3.45Å; L295-T298 PolarHBondContact O-OG1 2.86Å; L295-T298 VanDerWaalsContact O-OG1 3.07Å; L295-N299 VanDerWaalsContact O-CB 3.24Å; L295-N299 WeakPolarHBondContact O-CB 3.5Å; L295-N299 PolarHBondContact O-N 3.23Å; L295-N299 PolarHBondContact O-OD1 2.88Å
296	D	92.1	Very high	91.8	Very high	78 Å²	78	98.3 Å²	98.3	42%	0.417	49%	0.492	S	S	.	.	H	α-helix	trans	-57.8	-42.6	172.3	-99.1	21.8	0	0	0	112.2	R292 S293 Q294 R300	R292-D296 WeakPolarHBondContact O-CB 3.45Å; R292-D296 PolarHBondContact O-N 3.5Å; S293-D296 WeakPolarHBondContact O-CB 3.34Å; Q294-D296 VanDerWaalsContact C-N 3.31Å; Q294-D296 PolarHBondContact O-N 2.95Å; D296-R300 WeakPolarHBondContact O-CB 3.4Å; D296-R300 VanDerWaalsContact O-CG 3.26Å; D296-R300 WeakPolarHBondContact O-CG 3.42Å; D296-R300 PolarHBondContact O-N 2.79Å; D296-R300 IonicContact OD2-CZ 3.58Å; D296-R300 IonicContact OD2-NH2 2.76Å; D296-R300 PolarHBondContact OD2-NH2 3.46Å
297	T	91.4	Very high	91.5	Very high	80 Å²	80	98 Å²	98	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-71.9	-38.2	177.4	55.9	0	0	0	0	113.1	S293 Q294 L295 A301	S293-T297 WeakPolarHBondContact O-CG2 3.47Å; S293-T297 PolarHBondContact O-N 2.93Å; S293-T297 VanDerWaalsContact O-N 3.08Å; S293-T297 PolarHBondContact O-OG1 3.37Å; Q294-T297 WeakPolarHBondContact CA-OG1 3.44Å; Q294-T297 CarbonylContact O-C 3.54Å; Q294-T297 WeakPolarHBondContact O-CA 3.31Å; Q294-T297 PolarHBondContact O-N 3.11Å; Q294-T297 PolarHBondContact O-OG1 2.88Å; L295-T297 VanDerWaalsContact C-N 3.33Å; L295-T297 PolarHBondContact O-N 3.34Å; T297-A301 WeakPolarHBondContact O-CB 3.3Å; T297-A301 PolarHBondContact O-N 2.93Å
298	T	88.2	Confident	91.3	Very high	80 Å²	80	95.9 Å²	95.9	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-72	-34.5	176.5	55	0	0	0	0	111.8	Q294 L295 A301 Y302	Q294-T298 PolarHBondContact O-N 2.69Å; Q294-T298 PolarHBondContact O-OG1 2.87Å; L295-T298 WeakPolarHBondContact CA-OG1 3.41Å; L295-T298 PolarHBondContact O-N 3.45Å; L295-T298 PolarHBondContact O-OG1 2.86Å; L295-T298 VanDerWaalsContact O-OG1 3.07Å; T298-A301 PolarHBondContact O-N 2.87Å; T298-Y302 VanDerWaalsContact O-CB 3.26Å; T298-Y302 WeakPolarHBondContact O-CB 3.24Å; T298-Y302 PolarHBondContact O-N 3.38Å
299	N	92.6	Very high	91.1	Very high	73 Å²	73	95.1 Å²	95.1	39%	0.39	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-48.6	172.9	-72.4	-5.4	0	0	0	110.4	L295 A301 Y302 D303	L295-N299 VanDerWaalsContact O-CB 3.24Å; L295-N299 WeakPolarHBondContact O-CB 3.5Å; L295-N299 PolarHBondContact O-N 3.23Å; L295-N299 PolarHBondContact O-OD1 2.88Å; N299-A301 VanDerWaalsContact C-N 3.27Å; N299-A301 PolarHBondContact O-N 2.69Å; N299-Y302 CarbonylContact O-C 3.57Å; N299-Y302 WeakPolarHBondContact O-CA 3.34Å; N299-Y302 WeakPolarHBondContact O-CB 3.49Å; N299-Y302 PolarHBondContact O-N 3.02Å; N299-D303 WeakPolarHBondContact O-CB 3.23Å; N299-D303 PolarHBondContact O-N 3.26Å
300	R	90.7	Very high	90.6	Very high	150 Å²	150	93.7 Å²	93.7	57%	0.566	48%	0.483	S	S	*	.	H	α-helix	trans	-58.5	-37.5	174.4	-71.5	171.8	-161.6	129.1	16.4	112.8	D296 L304	D296-R300 WeakPolarHBondContact O-CB 3.4Å; D296-R300 VanDerWaalsContact O-CG 3.26Å; D296-R300 WeakPolarHBondContact O-CG 3.42Å; D296-R300 PolarHBondContact O-N 2.79Å; D296-R300 IonicContact OD2-CZ 3.58Å; D296-R300 IonicContact OD2-NH2 2.76Å; D296-R300 PolarHBondContact OD2-NH2 3.46Å; R300-L304 VanDerWaalsContact O-CB 3.28Å; R300-L304 WeakPolarHBondContact O-CB 3.42Å; R300-L304 PolarHBondContact O-N 3.49Å
301	A	89.3	Confident	90.4	Very high	56 Å²	56	95.2 Å²	95.2	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-68.6	-39.7	174.8	0	0	0	0	0	112.1	T297 T298 N299 Q305	T297-A301 WeakPolarHBondContact O-CB 3.3Å; T297-A301 PolarHBondContact O-N 2.93Å; T298-A301 PolarHBondContact O-N 2.87Å; N299-A301 VanDerWaalsContact C-N 3.27Å; N299-A301 PolarHBondContact O-N 2.69Å; A301-Q305 VanDerWaalsContact O-CB 3.26Å; A301-Q305 WeakPolarHBondContact O-CB 3.45Å; A301-Q305 PolarHBondContact O-N 2.78Å
302	Y	91.6	Very high	90	Very high	154 Å²	154	96 Å²	96	60%	0.604	49%	0.488	S	S	*	.	H	α-helix	trans	-66.9	-42.6	175.3	178	-94.7	0	0	0	112.3	T298 N299 Q305 T306	T298-Y302 VanDerWaalsContact O-CB 3.26Å; T298-Y302 WeakPolarHBondContact O-CB 3.24Å; T298-Y302 PolarHBondContact O-N 3.38Å; N299-Y302 CarbonylContact O-C 3.57Å; N299-Y302 WeakPolarHBondContact O-CA 3.34Å; N299-Y302 WeakPolarHBondContact O-CB 3.49Å; N299-Y302 PolarHBondContact O-N 3.02Å; Y302-Q305 PolarHBondContact O-N 2.87Å; Y302-T306 VanDerWaalsContact O-CB 3.23Å; Y302-T306 WeakPolarHBondContact O-CB 3.37Å; Y302-T306 PolarHBondContact O-N 2.93Å; Y302-T306 PolarHBondContact O-OG1 3.47Å
303	D	90.4	Very high	89.8	Confident	99 Å²	99	93.5 Å²	93.5	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-46.4	175	-64.5	-29.5	0	0	0	110.3	N299 Q305 T306 E307	N299-D303 WeakPolarHBondContact O-CB 3.23Å; N299-D303 PolarHBondContact O-N 3.26Å; D303-Q305 PolarHBondContact O-N 3.45Å; D303-T306 PolarHBondContact O-N 2.86Å; D303-E307 WeakPolarHBondContact O-CB 3.36Å; D303-E307 PolarHBondContact O-N 3.31Å
304	L	89.8	Confident	89.4	Confident	122 Å²	122	93.6 Å²	93.6	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-63.1	-41.4	176	-170.7	74.3	0	0	0	111.8	R300 T306 E307 V308	R300-L304 VanDerWaalsContact O-CB 3.28Å; R300-L304 WeakPolarHBondContact O-CB 3.42Å; R300-L304 PolarHBondContact O-N 3.49Å; L304-T306 VanDerWaalsContact C-N 3.35Å; L304-E307 PolarHBondContact O-N 3.45Å; L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 3.39Å
305	Q	87.7	Confident	89.2	Confident	133 Å²	133	94.9 Å²	94.9	62%	0.621	49%	0.489	S	S	*	.	H	α-helix	trans	-69.4	-33.7	176.1	-172.3	169.7	4	0	0	111.9	A301 Y302 D303 V308 V309	A301-Q305 VanDerWaalsContact O-CB 3.26Å; A301-Q305 WeakPolarHBondContact O-CB 3.45Å; A301-Q305 PolarHBondContact O-N 2.78Å; Y302-Q305 PolarHBondContact O-N 2.87Å; D303-Q305 PolarHBondContact O-N 3.45Å; Q305-V308 PolarHBondContact O-N 3.32Å; Q305-V309 WeakPolarHBondContact O-CB 3.3Å; Q305-V309 VanDerWaalsContact O-CG2 3.27Å; Q305-V309 WeakPolarHBondContact O-CG2 3.29Å; Q305-V309 PolarHBondContact O-N 3.33Å
306	T	89.5	Confident	88.7	Confident	47 Å²	47	94.5 Å²	94.5	29%	0.288	49%	0.486	S	S	.	.	H	α-helix	trans	-68.1	-40.6	174.7	-62.6	0	0	0	0	110.7	Y302 D303 L304 V309 N310	Y302-T306 VanDerWaalsContact O-CB 3.23Å; Y302-T306 WeakPolarHBondContact O-CB 3.37Å; Y302-T306 PolarHBondContact O-N 2.93Å; Y302-T306 PolarHBondContact O-OG1 3.47Å; D303-T306 PolarHBondContact O-N 2.86Å; L304-T306 VanDerWaalsContact C-N 3.35Å; T306-V309 CarbonylContact O-C 3.58Å; T306-V309 PolarHBondContact O-N 2.95Å; T306-N310 WeakPolarHBondContact O-CB 3.42Å; T306-N310 PolarHBondContact O-N 3.33Å; T306-N310 PolarHBondContact O-ND2 2.9Å
307	E	88.7	Confident	88.4	Confident	94 Å²	94	93.6 Å²	93.6	44%	0.439	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-43.8	172.1	178.4	54	-156.5	0	0	111.6	D303 L304 V309 N310 Q311	D303-E307 WeakPolarHBondContact O-CB 3.36Å; D303-E307 PolarHBondContact O-N 3.31Å; L304-E307 PolarHBondContact O-N 3.45Å; E307-V309 VanDerWaalsContact C-N 3.32Å; E307-V309 PolarHBondContact O-N 3.48Å; E307-N310 PolarHBondContact O-N 2.96Å; E307-Q311 WeakPolarHBondContact O-CB 3.43Å; E307-Q311 VanDerWaalsContact O-CG 3.3Å; E307-Q311 WeakPolarHBondContact O-CG 3.28Å; E307-Q311 PolarHBondContact O-N 2.57Å; E307-Q311 PolarHBondContact OE1-NE2 3.27Å
308	V	90.1	Very high	88	Confident	69 Å²	69	94.6 Å²	94.6	42%	0.418	49%	0.486	S	S	.	.	H	α-helix	trans	-61.5	-39.6	172.5	169.1	0	0	0	0	111.6	L304 Q305 Q311 L312	L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 3.39Å; Q305-V308 PolarHBondContact O-N 3.32Å; V308-Q311 PolarHBondContact O-N 2.95Å; V308-L312 HydrophobicContact CG1-CD1 4.04Å; V308-L312 HydrophobicContact CG1-CG 4.48Å; V308-L312 WeakPolarHBondContact O-CB 3.48Å; V308-L312 VanDerWaalsContact O-CG 3.28Å; V308-L312 WeakPolarHBondContact O-CG 3.3Å; V308-L312 PolarHBondContact O-N 3.05Å
309	V	87.2	Confident	87.7	Confident	70 Å²	70	95.5 Å²	95.5	42%	0.424	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-42.9	174	165.8	0	0	0	0	110.9	Q305 T306 E307 Q311 L312 Q313	Q305-V309 WeakPolarHBondContact O-CB 3.3Å; Q305-V309 VanDerWaalsContact O-CG2 3.27Å; Q305-V309 WeakPolarHBondContact O-CG2 3.29Å; Q305-V309 PolarHBondContact O-N 3.33Å; T306-V309 CarbonylContact O-C 3.58Å; T306-V309 PolarHBondContact O-N 2.95Å; E307-V309 VanDerWaalsContact C-N 3.32Å; E307-V309 PolarHBondContact O-N 3.48Å; V309-Q311 PolarHBondContact O-N 3.2Å; V309-L312 CarbonylContact O-C 3.46Å; V309-L312 PolarHBondContact O-N 2.93Å; V309-Q313 VanDerWaalsContact O-CB 3.27Å; V309-Q313 WeakPolarHBondContact O-CB 3.28Å; V309-Q313 PolarHBondContact O-N 3.06Å
310	N	86	Confident	87.3	Confident	87 Å²	87	97 Å²	97	47%	0.465	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-40.9	175.9	-70.7	-27.2	0	0	0	112.1	T306 E307 Q313 S314	T306-N310 WeakPolarHBondContact O-CB 3.42Å; T306-N310 PolarHBondContact O-N 3.33Å; T306-N310 PolarHBondContact O-ND2 2.9Å; E307-N310 PolarHBondContact O-N 2.96Å; N310-Q313 PolarHBondContact O-N 3.41Å; N310-S314 WeakPolarHBondContact O-CB 3.35Å; N310-S314 PolarHBondContact O-N 3.16Å
311	Q	89.1	Confident	86.9	Confident	110 Å²	110	96 Å²	96	51%	0.514	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-40.6	174.4	-70.8	175.6	18.3	0	0	111.7	E307 V308 V309 K315	E307-Q311 WeakPolarHBondContact O-CB 3.43Å; E307-Q311 VanDerWaalsContact O-CG 3.3Å; E307-Q311 WeakPolarHBondContact O-CG 3.28Å; E307-Q311 PolarHBondContact O-N 2.57Å; E307-Q311 PolarHBondContact OE1-NE2 3.27Å; V308-Q311 PolarHBondContact O-N 2.95Å; V309-Q311 PolarHBondContact O-N 3.2Å; Q311-K315 WeakPolarHBondContact O-CB 3.37Å; Q311-K315 PolarHBondContact O-N 2.93Å
312	L	84.2	Confident	86.6	Confident	93 Å²	93	97.6 Å²	97.6	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-40.6	173.3	-73.5	171.7	0	0	0	111.9	V308 V309 K315 I316	V308-L312 HydrophobicContact CG1-CD1 4.04Å; V308-L312 HydrophobicContact CG1-CG 4.48Å; V308-L312 WeakPolarHBondContact O-CB 3.48Å; V308-L312 VanDerWaalsContact O-CG 3.28Å; V308-L312 WeakPolarHBondContact O-CG 3.3Å; V308-L312 PolarHBondContact O-N 3.05Å; V309-L312 CarbonylContact O-C 3.46Å; V309-L312 PolarHBondContact O-N 2.93Å; L312-K315 CarbonylContact O-C 3.54Å; L312-K315 PolarHBondContact O-N 3.44Å; L312-I316 WeakPolarHBondContact O-CB 3.45Å; L312-I316 WeakPolarHBondContact O-CG1 3.39Å; L312-I316 PolarHBondContact O-N 3.39Å
313	Q	90.1	Very high	85.9	Confident	118 Å²	118	97.1 Å²	97.1	55%	0.551	50%	0.5	S	S	*	.	H	α-helix	trans	-61	-48.9	175.6	-167.3	89.4	16.6	0	0	110.4	V309 N310 K315 I316 S317	V309-Q313 VanDerWaalsContact O-CB 3.27Å; V309-Q313 WeakPolarHBondContact O-CB 3.28Å; V309-Q313 PolarHBondContact O-N 3.06Å; N310-Q313 PolarHBondContact O-N 3.41Å; Q313-K315 VanDerWaalsContact C-N 3.35Å; Q313-K315 PolarHBondContact O-N 3.03Å; Q313-I316 PolarHBondContact O-N 2.99Å; Q313-S317 PolarHBondContact O-N 3.23Å; Q313-S317 PolarHBondContact O-OG 3.04Å
314	S	83.6	Confident	85.5	Confident	64 Å²	64	97.1 Å²	97.1	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-43.1	175	178.9	0	0	0	0	111.8	N310 S317 M318	N310-S314 WeakPolarHBondContact O-CB 3.35Å; N310-S314 PolarHBondContact O-N 3.16Å; S314-S317 PolarHBondContact O-N 3.4Å; S314-M318 WeakPolarHBondContact O-CB 3.45Å; S314-M318 WeakPolarHBondContact O-CG 3.22Å; S314-M318 PolarHBondContact O-N 3.41Å
315	K	87.5	Confident	85	Confident	125 Å²	125	94 Å²	94	54%	0.543	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-37.2	176	-171.7	176.2	-177.5	178.8	0	112.5	Q311 L312 Q313 L319	Q311-K315 WeakPolarHBondContact O-CB 3.37Å; Q311-K315 PolarHBondContact O-N 2.93Å; L312-K315 CarbonylContact O-C 3.54Å; L312-K315 PolarHBondContact O-N 3.44Å; Q313-K315 VanDerWaalsContact C-N 3.35Å; Q313-K315 PolarHBondContact O-N 3.03Å; K315-L319 HydrophobicContact CG-CD1 4.14Å; K315-L319 WeakPolarHBondContact O-CB 3.17Å; K315-L319 WeakPolarHBondContact O-CD1 3.06Å; K315-L319 WeakPolarHBondContact O-CG 3.29Å; K315-L319 PolarHBondContact O-N 3.13Å
316	I	83.8	Confident	84.6	Confident	83 Å²	83	93 Å²	93	43%	0.426	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-52.4	172.5	-75	163.7	0	0	0	109	L312 Q313 M318 L319 E320	L312-I316 WeakPolarHBondContact O-CB 3.45Å; L312-I316 WeakPolarHBondContact O-CG1 3.39Å; L312-I316 PolarHBondContact O-N 3.39Å; Q313-I316 PolarHBondContact O-N 2.99Å; I316-M318 VanDerWaalsContact C-N 3.33Å; I316-M318 PolarHBondContact O-N 3.38Å; I316-L319 CarbonylContact O-C 3.57Å; I316-L319 WeakPolarHBondContact O-CA 3.31Å; I316-L319 WeakPolarHBondContact O-CB 3.27Å; I316-L319 PolarHBondContact O-N 2.88Å; I316-E320 HydrophobicContact CG2-CG 4.07Å; I316-E320 WeakPolarHBondContact O-CB 3.41Å; I316-E320 WeakPolarHBondContact O-CG 3.27Å; I316-E320 PolarHBondContact O-N 3.27Å
317	S	84.8	Confident	84.1	Confident	58 Å²	58	92.2 Å²	92.2	41%	0.406	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-36.2	178.9	-60.6	0	0	0	0	113.5	Q313 S314 E320 E321	Q313-S317 PolarHBondContact O-N 3.23Å; Q313-S317 PolarHBondContact O-OG 3.04Å; S314-S317 PolarHBondContact O-N 3.4Å; S317-E320 PolarHBondContact O-N 2.89Å; S317-E321 WeakPolarHBondContact O-CB 3.18Å; S317-E321 PolarHBondContact O-N 2.84Å
318	M	84.1	Confident	83.6	Confident	101 Å²	101	94 Å²	94	50%	0.498	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-32.5	171.4	-75	-172.1	-70.9	0	0	113.2	S314 I316 N322	S314-M318 WeakPolarHBondContact O-CB 3.45Å; S314-M318 WeakPolarHBondContact O-CG 3.22Å; S314-M318 PolarHBondContact O-N 3.41Å; I316-M318 VanDerWaalsContact C-N 3.33Å; I316-M318 PolarHBondContact O-N 3.38Å; M318-N322 WeakPolarHBondContact O-CB 3.4Å; M318-N322 PolarHBondContact O-N 2.94Å; M318-N322 PolarHBondContact O-ND2 3.43Å
319	L	81.1	Confident	83	Confident	100 Å²	100	95 Å²	95	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-77.6	-33.5	174.6	-74.7	169.8	0	0	0	112.1	K315 I316 N322 M323	K315-L319 HydrophobicContact CG-CD1 4.14Å; K315-L319 WeakPolarHBondContact O-CB 3.17Å; K315-L319 WeakPolarHBondContact O-CD1 3.06Å; K315-L319 WeakPolarHBondContact O-CG 3.29Å; K315-L319 PolarHBondContact O-N 3.13Å; I316-L319 CarbonylContact O-C 3.57Å; I316-L319 WeakPolarHBondContact O-CA 3.31Å; I316-L319 WeakPolarHBondContact O-CB 3.27Å; I316-L319 PolarHBondContact O-N 2.88Å; L319-N322 CarbonylContact O-C 3.58Å; L319-N322 PolarHBondContact O-N 3.42Å; L319-M323 WeakPolarHBondContact O-CB 3.28Å; L319-M323 VanDerWaalsContact O-CG 3.28Å; L319-M323 WeakPolarHBondContact O-CG 3.49Å; L319-M323 PolarHBondContact O-N 3.42Å
320	E	83.8	Confident	82.6	Confident	104 Å²	104	96.1 Å²	96.1	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-68	-42.9	172.2	-71.8	172.8	147.1	0	0	110.6	I316 S317 M323 I324	I316-E320 HydrophobicContact CG2-CG 4.07Å; I316-E320 WeakPolarHBondContact O-CB 3.41Å; I316-E320 WeakPolarHBondContact O-CG 3.27Å; I316-E320 PolarHBondContact O-N 3.27Å; S317-E320 PolarHBondContact O-N 2.89Å; E320-M323 CarbonylContact O-C 3.59Å; E320-M323 WeakPolarHBondContact O-CB 3.22Å; E320-M323 PolarHBondContact O-N 2.89Å; E320-I324 WeakPolarHBondContact O-CB 3.48Å; E320-I324 VanDerWaalsContact O-CG1 3.24Å; E320-I324 WeakPolarHBondContact O-CG1 3.42Å; E320-I324 PolarHBondContact O-N 3.02Å
321	E	82.6	Confident	82.2	Confident	130 Å²	130	96.8 Å²	96.8	61%	0.607	49%	0.492	S	S	*	.	H	α-helix	trans	-65.1	-38.7	172.3	-173.9	172.2	-155.4	0	0	111.6	S317 I324 T325	S317-E321 WeakPolarHBondContact O-CB 3.18Å; S317-E321 PolarHBondContact O-N 2.84Å; E321-I324 PolarHBondContact O-N 3.31Å; E321-T325 WeakPolarHBondContact O-CB 3.29Å; E321-T325 WeakPolarHBondContact O-CG2 3.38Å; E321-T325 PolarHBondContact O-N 3.29Å; E321-T325 PolarHBondContact O-OG1 2.93Å
322	N	82.1	Confident	81.5	Confident	89 Å²	89	97.6 Å²	97.6	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-63	-40.6	169.4	-92.4	-90	0	0	0	112.1	M318 L319 T325 K326	M318-N322 WeakPolarHBondContact O-CB 3.4Å; M318-N322 PolarHBondContact O-N 2.94Å; M318-N322 PolarHBondContact O-ND2 3.43Å; L319-N322 CarbonylContact O-C 3.58Å; L319-N322 PolarHBondContact O-N 3.42Å; N322-T325 WeakPolarHBondContact CA-OG1 3.35Å; N322-T325 PolarHBondContact O-OG1 3.39Å; N322-K326 WeakPolarHBondContact O-CB 3.46Å; N322-K326 WeakPolarHBondContact O-CG 3.23Å; N322-K326 PolarHBondContact O-N 2.64Å
323	M	77.3	Confident	81.1	Confident	143 Å²	143	99 Å²	99	70%	0.704	50%	0.503	S	S	*	.	H	α-helix	trans	-66.1	-36.7	175.5	-83	-78.7	-72.4	0	0	112.3	L319 E320 G327	L319-M323 WeakPolarHBondContact O-CB 3.28Å; L319-M323 VanDerWaalsContact O-CG 3.28Å; L319-M323 WeakPolarHBondContact O-CG 3.49Å; L319-M323 PolarHBondContact O-N 3.42Å; E320-M323 CarbonylContact O-C 3.59Å; E320-M323 WeakPolarHBondContact O-CB 3.22Å; E320-M323 PolarHBondContact O-N 2.89Å; M323-G327 WeakPolarHBondContact O-CA 3.2Å; M323-G327 PolarHBondContact O-N 3.24Å
324	I	82	Confident	80.4	Confident	100 Å²	100	98.9 Å²	98.9	51%	0.513	50%	0.503	S	S	.	.	H	α-helix	trans	-72.9	-41.9	177.1	-70.6	163.2	0	0	0	110.7	E320 E321 G327 K328	E320-I324 WeakPolarHBondContact O-CB 3.48Å; E320-I324 VanDerWaalsContact O-CG1 3.24Å; E320-I324 WeakPolarHBondContact O-CG1 3.42Å; E320-I324 PolarHBondContact O-N 3.02Å; E321-I324 PolarHBondContact O-N 3.31Å; I324-G327 PolarHBondContact O-N 3.48Å; I324-K328 WeakPolarHBondContact O-CB 3.3Å; I324-K328 WeakPolarHBondContact O-CG 3.27Å; I324-K328 PolarHBondContact O-N 2.87Å
325	T	79.5	Confident	79.9	Confident	57 Å²	57	99.5 Å²	99.5	35%	0.35	50%	0.501	S	S	.	.	H	α-helix	trans	-72.1	-38.3	176.8	51.5	0	0	0	0	112.1	E321 N322 K328 Q329	E321-T325 WeakPolarHBondContact O-CB 3.29Å; E321-T325 WeakPolarHBondContact O-CG2 3.38Å; E321-T325 PolarHBondContact O-N 3.29Å; E321-T325 PolarHBondContact O-OG1 2.93Å; N322-T325 WeakPolarHBondContact CA-OG1 3.35Å; N322-T325 PolarHBondContact O-OG1 3.39Å; T325-K328 PolarHBondContact O-N 3.3Å; T325-Q329 WeakPolarHBondContact O-CG 3.35Å; T325-Q329 PolarHBondContact O-N 3.13Å
326	K	79.3	Confident	79.2	Confident	110 Å²	110	97 Å²	97	48%	0.478	50%	0.5	S	S	.	.	H	α-helix	trans	-68.1	-38.3	170	-71.1	-73.1	162.1	-160.2	0	112.2	N322 Q329 I330	N322-K326 WeakPolarHBondContact O-CB 3.46Å; N322-K326 WeakPolarHBondContact O-CG 3.23Å; N322-K326 PolarHBondContact O-N 2.64Å; K326-Q329 PolarHBondContact O-N 3.31Å; K326-I330 WeakPolarHBondContact O-CB 3.48Å; K326-I330 VanDerWaalsContact O-CG1 3.26Å; K326-I330 WeakPolarHBondContact O-CG1 3.49Å; K326-I330 PolarHBondContact O-N 3.06Å
327	G	78.9	Confident	78.6	Confident	32 Å²	32	98.5 Å²	98.5	33%	0.33	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-44.4	172.4	0	0	0	0	0	111.7	M323 I324 I330 L331	M323-G327 WeakPolarHBondContact O-CA 3.2Å; M323-G327 PolarHBondContact O-N 3.24Å; I324-G327 PolarHBondContact O-N 3.48Å; G327-I330 PolarHBondContact O-N 2.84Å; G327-L331 VanDerWaalsContact O-CB 3.27Å; G327-L331 WeakPolarHBondContact O-CB 3.47Å; G327-L331 PolarHBondContact O-N 3.34Å
328	K	79.6	Confident	77.7	Confident	130 Å²	130	99.5 Å²	99.5	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-61.1	-46.3	171.1	-74.9	172.9	-178.7	179.1	0	112.2	I324 T325 I330 L331 E332	I324-K328 WeakPolarHBondContact O-CB 3.3Å; I324-K328 WeakPolarHBondContact O-CG 3.27Å; I324-K328 PolarHBondContact O-N 2.87Å; T325-K328 PolarHBondContact O-N 3.3Å; K328-I330 VanDerWaalsContact C-N 3.33Å; K328-I330 PolarHBondContact O-N 3.48Å; K328-L331 PolarHBondContact O-N 3.47Å; K328-E332 WeakPolarHBondContact O-CB 3.37Å; K328-E332 WeakPolarHBondContact O-CG 3.25Å; K328-E332 PolarHBondContact O-N 3.1Å
329	Q	76.9	Confident	77	Confident	90 Å²	90	101.1 Å²	101.1	42%	0.421	52%	0.516	S	S	.	.	H	α-helix	trans	-62.5	-37.8	176.9	-74.7	175.5	-4.3	0	0	112.6	T325 K326 L333	T325-Q329 WeakPolarHBondContact O-CG 3.35Å; T325-Q329 PolarHBondContact O-N 3.13Å; K326-Q329 PolarHBondContact O-N 3.31Å; Q329-L333 VanDerWaalsContact O-CB 3.3Å; Q329-L333 WeakPolarHBondContact O-CB 3.42Å; Q329-L333 WeakPolarHBondContact O-CD1 3.44Å; Q329-L333 VanDerWaalsContact O-CG 3.23Å; Q329-L333 WeakPolarHBondContact O-CG 3.22Å; Q329-L333 PolarHBondContact O-N 2.97Å
330	I	78	Confident	76.2	Confident	95 Å²	95	100.8 Å²	100.8	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-46.8	173.4	-70.9	164.2	0	0	0	109.7	K326 G327 K328 E332 L333 E334	K326-I330 WeakPolarHBondContact O-CB 3.48Å; K326-I330 VanDerWaalsContact O-CG1 3.26Å; K326-I330 WeakPolarHBondContact O-CG1 3.49Å; K326-I330 PolarHBondContact O-N 3.06Å; G327-I330 PolarHBondContact O-N 2.84Å; K328-I330 VanDerWaalsContact C-N 3.33Å; K328-I330 PolarHBondContact O-N 3.48Å; I330-E332 VanDerWaalsContact C-N 3.32Å; I330-E332 PolarHBondContact O-N 3.02Å; I330-L333 CarbonylContact O-C 3.54Å; I330-L333 PolarHBondContact O-N 2.74Å; I330-E334 HydrophobicContact CG2-CG 4.25Å; I330-E334 WeakPolarHBondContact O-CB 3.43Å; I330-E334 WeakPolarHBondContact O-CG 3.32Å; I330-E334 PolarHBondContact O-N 2.59Å
331	L	77.7	Confident	75.2	Confident	100 Å²	100	101.8 Å²	101.8	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-31	-179.3	-153.9	159.7	0	0	0	111.8	G327 K328 N335	G327-L331 VanDerWaalsContact O-CB 3.27Å; G327-L331 WeakPolarHBondContact O-CB 3.47Å; G327-L331 PolarHBondContact O-N 3.34Å; K328-L331 PolarHBondContact O-N 3.47Å; L331-N335 VanDerWaalsContact CD2-ND2 3.33Å; L331-N335 WeakPolarHBondContact CD2-ND2 3.42Å; L331-N335 WeakPolarHBondContact O-CB 3.4Å; L331-N335 VanDerWaalsContact O-CG 3.29Å; L331-N335 PolarHBondContact O-N 2.98Å; L331-N335 PolarHBondContact O-ND2 3.18Å
332	E	75.7	Confident	74.2	Confident	128 Å²	128	102.2 Å²	102.2	60%	0.598	52%	0.518	S	S	*	.	H	α-helix	trans	-71.4	-40.4	170	-75.6	174.1	168.3	0	0	112.5	K328 I330 S336	K328-E332 WeakPolarHBondContact O-CB 3.37Å; K328-E332 WeakPolarHBondContact O-CG 3.25Å; K328-E332 PolarHBondContact O-N 3.1Å; I330-E332 VanDerWaalsContact C-N 3.32Å; I330-E332 PolarHBondContact O-N 3.02Å; E332-S336 WeakPolarHBondContact O-CB 3.37Å; E332-S336 PolarHBondContact O-N 2.76Å; E332-S336 PolarHBondContact O-OG 2.74Å
333	L	74.3	Confident	73.4	Confident	122 Å²	122	103.5 Å²	103.5	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-69.2	-41.9	174.6	-77	167.9	0	0	0	111.8	Q329 I330 S336 L337	Q329-L333 VanDerWaalsContact O-CB 3.3Å; Q329-L333 WeakPolarHBondContact O-CB 3.42Å; Q329-L333 WeakPolarHBondContact O-CD1 3.44Å; Q329-L333 VanDerWaalsContact O-CG 3.23Å; Q329-L333 WeakPolarHBondContact O-CG 3.22Å; Q329-L333 PolarHBondContact O-N 2.97Å; I330-L333 CarbonylContact O-C 3.54Å; I330-L333 PolarHBondContact O-N 2.74Å; L333-S336 PolarHBondContact O-N 3.2Å; L333-L337 VanDerWaalsContact O-CB 3.28Å; L333-L337 WeakPolarHBondContact O-CB 3.25Å; L333-L337 PolarHBondContact O-N 3.09Å
334	E	75.9	Confident	72.7	Confident	115 Å²	115	101.9 Å²	101.9	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-49	171.6	-76.6	-174.5	136.1	0	0	110.2	I330 S336 L337 T338	I330-E334 HydrophobicContact CG2-CG 4.25Å; I330-E334 WeakPolarHBondContact O-CB 3.43Å; I330-E334 WeakPolarHBondContact O-CG 3.32Å; I330-E334 PolarHBondContact O-N 2.59Å; E334-S336 PolarHBondContact O-N 2.74Å; E334-L337 PolarHBondContact O-N 3.42Å; E334-L337 VanDerWaalsContact O-N 3.17Å; E334-T338 WeakPolarHBondContact O-CB 3.28Å; E334-T338 WeakPolarHBondContact O-CG2 3.47Å; E334-T338 PolarHBondContact O-N 2.75Å; E334-T338 PolarHBondContact O-OG1 2.66Å
335	N	73.8	Confident	71.7	Confident	77 Å²	77	101.5 Å²	101.5	41%	0.412	51%	0.509	S	S	.	.	H	α-helix	trans	-61.8	-25.1	174.6	-85.6	-34.7	0	0	0	113.8	L331 T338 K339	L331-N335 VanDerWaalsContact CD2-ND2 3.33Å; L331-N335 WeakPolarHBondContact CD2-ND2 3.42Å; L331-N335 WeakPolarHBondContact O-CB 3.4Å; L331-N335 VanDerWaalsContact O-CG 3.29Å; L331-N335 PolarHBondContact O-N 2.98Å; L331-N335 PolarHBondContact O-ND2 3.18Å; N335-T338 WeakPolarHBondContact CA-OG1 3.44Å; N335-T338 PolarHBondContact O-OG1 2.79Å; N335-K339 VanDerWaalsContact O-CB 3.3Å; N335-K339 WeakPolarHBondContact O-CB 2.87Å; N335-K339 VanDerWaalsContact O-CD 3.25Å; N335-K339 WeakPolarHBondContact O-CD 3.31Å; N335-K339 WeakPolarHBondContact O-CG 3.45Å; N335-K339 PolarHBondContact O-N 3.09Å
336	S	73	Confident	70.9	Confident	74 Å²	74	103.7 Å²	103.7	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-80.5	-41.3	174.7	-58.4	0	0	0	0	111	E332 L333 E334 K339 E340	E332-S336 WeakPolarHBondContact O-CB 3.37Å; E332-S336 PolarHBondContact O-N 2.76Å; E332-S336 PolarHBondContact O-OG 2.74Å; L333-S336 PolarHBondContact O-N 3.2Å; E334-S336 PolarHBondContact O-N 2.74Å; S336-K339 PolarHBondContact O-N 3.3Å; S336-E340 WeakPolarHBondContact O-CB 3.46Å; S336-E340 PolarHBondContact O-N 2.88Å
337	L	70.1	Confident	70.1	Confident	114 Å²	114	104.1 Å²	104.1	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-71.8	-38.3	178.8	-169.3	74.2	0	0	0	112.1	L333 E334 E340 H341	L333-L337 VanDerWaalsContact O-CB 3.28Å; L333-L337 WeakPolarHBondContact O-CB 3.25Å; L333-L337 PolarHBondContact O-N 3.09Å; E334-L337 PolarHBondContact O-N 3.42Å; E334-L337 VanDerWaalsContact O-N 3.17Å; L337-E340 PolarHBondContact O-N 2.92Å; L337-H341 WeakPolarHBondContact O-CB 3.39Å; L337-H341 PolarHBondContact O-N 3Å
338	T	66.1	Low	69.4	Low	78 Å²	78	108.4 Å²	108.4	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-68.1	-41.2	172.7	56.9	0	0	0	0	110.3	E334 N335 E340 H341 E342	E334-T338 WeakPolarHBondContact O-CB 3.28Å; E334-T338 WeakPolarHBondContact O-CG2 3.47Å; E334-T338 PolarHBondContact O-N 2.75Å; E334-T338 PolarHBondContact O-OG1 2.66Å; N335-T338 WeakPolarHBondContact CA-OG1 3.44Å; N335-T338 PolarHBondContact O-OG1 2.79Å; T338-E340 PolarHBondContact O-N 3.05Å; T338-H341 PolarHBondContact O-N 3.25Å; T338-E342 WeakPolarHBondContact O-CA 3.36Å; T338-E342 WeakPolarHBondContact O-CB 3.23Å; T338-E342 PolarHBondContact O-N 3.48Å
339	K	69	Low	68.5	Low	136 Å²	136	105.3 Å²	105.3	59%	0.591	53%	0.528	S	S	*	.	H	α-helix	trans	-61.3	-41	170.5	-78	173.1	-171.6	172.5	0	112.6	N335 S336 Q343	N335-K339 VanDerWaalsContact O-CB 3.3Å; N335-K339 WeakPolarHBondContact O-CB 2.87Å; N335-K339 VanDerWaalsContact O-CD 3.25Å; N335-K339 WeakPolarHBondContact O-CD 3.31Å; N335-K339 WeakPolarHBondContact O-CG 3.45Å; N335-K339 PolarHBondContact O-N 3.09Å; S336-K339 PolarHBondContact O-N 3.3Å; K339-Q343 WeakPolarHBondContact O-CA 3.4Å; K339-Q343 WeakPolarHBondContact O-CB 3.44Å; K339-Q343 PolarHBondContact O-N 3.46Å
340	E	65.3	Low	68	Low	93 Å²	93	105.3 Å²	105.3	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-69.1	-37.2	177	-158.5	-162.3	152.7	0	0	111.9	S336 L337 T338 K344	S336-E340 WeakPolarHBondContact O-CB 3.46Å; S336-E340 PolarHBondContact O-N 2.88Å; L337-E340 PolarHBondContact O-N 2.92Å; T338-E340 PolarHBondContact O-N 3.05Å; E340-K344 HydrophobicContact CG-CD 4.45Å; E340-K344 VanDerWaalsContact O-CB 3.28Å; E340-K344 WeakPolarHBondContact O-CB 3.38Å; E340-K344 VanDerWaalsContact O-CG 3.29Å; E340-K344 WeakPolarHBondContact O-CG 3.43Å; E340-K344 PolarHBondContact O-N 2.86Å; E340-K344 WeakPolarHBondContact OE1-CE 3.29Å; E340-K344 IonicContact OE1-NZ 3.6Å; E340-K344 PolarHBondContact OE1-NZ 3.21Å
341	H	62.9	Low	67.5	Low	124 Å²	124	107.7 Å²	107.7	57%	0.574	54%	0.537	S	S	*	.	H	α-helix	trans	-72.2	-42.2	177.4	-171.8	60.8	0	0	0	112.1	L337 T338 K344 L345	L337-H341 WeakPolarHBondContact O-CB 3.39Å; L337-H341 PolarHBondContact O-N 3Å; T338-H341 PolarHBondContact O-N 3.25Å; H341-K344 PolarHBondContact O-N 3.42Å; H341-L345 WeakPolarHBondContact O-CB 3.26Å; H341-L345 WeakPolarHBondContact O-CD1 3.39Å; H341-L345 PolarHBondContact O-N 3.24Å
342	E	61.8	Low	67	Low	139 Å²	139	108.5 Å²	108.5	65%	0.65	54%	0.538	S	S	*	.	H	α-helix	trans	-68	-40.2	174.6	-172.1	171	-123	0	0	110.6	T338 L345 L346	T338-E342 WeakPolarHBondContact O-CA 3.36Å; T338-E342 WeakPolarHBondContact O-CB 3.23Å; T338-E342 PolarHBondContact O-N 3.48Å; E342-L345 PolarHBondContact O-N 3.1Å; E342-L346 WeakPolarHBondContact O-CB 3.35Å; E342-L346 PolarHBondContact O-N 3.35Å
343	Q	65.2	Low	66.7	Low	117 Å²	117	105.6 Å²	105.6	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-39.9	171	-176.8	173.4	-7.5	0	0	111.7	K339 L346 E347	K339-Q343 WeakPolarHBondContact O-CA 3.4Å; K339-Q343 WeakPolarHBondContact O-CB 3.44Å; K339-Q343 PolarHBondContact O-N 3.46Å; Q343-L346 PolarHBondContact O-N 2.88Å; Q343-E347 WeakPolarHBondContact O-CB 3.42Å; Q343-E347 WeakPolarHBondContact O-CG 3.27Å; Q343-E347 PolarHBondContact O-N 3.26Å
344	K	62.4	Low	66.3	Low	109 Å²	109	107 Å²	107	47%	0.474	53%	0.527	S	S	.	.	H	α-helix	trans	-68.5	-37.4	174.2	-81.6	169.4	171.2	168.9	0	112.9	E340 H341 L346 Q348	E340-K344 HydrophobicContact CG-CD 4.45Å; E340-K344 VanDerWaalsContact O-CB 3.28Å; E340-K344 WeakPolarHBondContact O-CB 3.38Å; E340-K344 VanDerWaalsContact O-CG 3.29Å; E340-K344 WeakPolarHBondContact O-CG 3.43Å; E340-K344 PolarHBondContact O-N 2.86Å; E340-K344 WeakPolarHBondContact OE1-CE 3.29Å; E340-K344 IonicContact OE1-NZ 3.6Å; E340-K344 PolarHBondContact OE1-NZ 3.21Å; H341-K344 PolarHBondContact O-N 3.42Å; K344-L346 VanDerWaalsContact C-N 3.34Å; K344-Q348 WeakPolarHBondContact O-CB 3.43Å; K344-Q348 WeakPolarHBondContact O-CG 3.28Å; K344-Q348 PolarHBondContact O-N 2.94Å
345	L	59.5	Low	66.1	Low	92 Å²	92	104.4 Å²	104.4	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-67.2	-35.9	170.7	-102	81.2	0	0	0	111.4	H341 E342 S349	H341-L345 WeakPolarHBondContact O-CB 3.26Å; H341-L345 WeakPolarHBondContact O-CD1 3.39Å; H341-L345 PolarHBondContact O-N 3.24Å; E342-L345 PolarHBondContact O-N 3.1Å; L345-S349 WeakPolarHBondContact O-CA 3.43Å; L345-S349 WeakPolarHBondContact O-CB 3.36Å; L345-S349 PolarHBondContact O-N 3.25Å
346	L	64.3	Low	65.9	Low	102 Å²	102	104.9 Å²	104.9	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-71.7	-40.6	177.4	-164.7	72.7	0	0	0	111.2	E342 Q343 K344 S349 E350	E342-L346 WeakPolarHBondContact O-CB 3.35Å; E342-L346 PolarHBondContact O-N 3.35Å; Q343-L346 PolarHBondContact O-N 2.88Å; K344-L346 VanDerWaalsContact C-N 3.34Å; L346-S349 PolarHBondContact O-N 3.15Å; L346-E350 VanDerWaalsContact O-CB 3.28Å; L346-E350 WeakPolarHBondContact O-CB 3.19Å; L346-E350 WeakPolarHBondContact O-CG 3.36Å; L346-E350 PolarHBondContact O-N 3.45Å
347	E	61.9	Low	65.9	Low	119 Å²	119	107.5 Å²	107.5	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-66	-41.6	172.3	-77.1	-171.4	141.2	0	0	111.8	Q343 Q351	Q343-E347 WeakPolarHBondContact O-CB 3.42Å; Q343-E347 WeakPolarHBondContact O-CG 3.27Å; Q343-E347 PolarHBondContact O-N 3.26Å; E347-Q351 WeakPolarHBondContact O-CB 3.36Å; E347-Q351 PolarHBondContact O-N 3.12Å
348	Q	64.1	Low	66	Low	123 Å²	123	106.8 Å²	106.8	58%	0.575	52%	0.524	S	S	*	.	H	α-helix	trans	-64.9	-42.9	172.1	-77.8	-172	-11.7	0	0	111.8	K344 Q351 H352	K344-Q348 WeakPolarHBondContact O-CB 3.43Å; K344-Q348 WeakPolarHBondContact O-CG 3.28Å; K344-Q348 PolarHBondContact O-N 2.94Å; Q348-Q351 PolarHBondContact O-N 3.04Å; Q348-H352 VanDerWaalsContact O-CB 3.31Å; Q348-H352 WeakPolarHBondContact O-CB 3.48Å; Q348-H352 PolarHBondContact O-CD2 2.78Å; Q348-H352 PolarHBondContact O-N 3.49Å
349	S	61.1	Low	66	Low	65 Å²	65	108 Å²	108	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-44.3	178.1	-174.3	0	0	0	0	111.1	L345 L346 H352 C353	L345-S349 WeakPolarHBondContact O-CA 3.43Å; L345-S349 WeakPolarHBondContact O-CB 3.36Å; L345-S349 PolarHBondContact O-N 3.25Å; L346-S349 PolarHBondContact O-N 3.15Å; S349-H352 PolarHBondContact O-N 3.19Å; S349-C353 VanDerWaalsContact O-CB 3.24Å; S349-C353 WeakPolarHBondContact O-CB 3.43Å; S349-C353 PolarHBondContact O-N 2.78Å; S349-C353 PolarHBondContact O-SG 2.86Å
350	E	65.1	Low	66.1	Low	89 Å²	89	106.9 Å²	106.9	42%	0.416	52%	0.524	S	S	.	.	H	α-helix	trans	-65.4	-40.3	173.2	-82.8	-156	-143.8	0	0	112.1	L346 C353 R354	L346-E350 VanDerWaalsContact O-CB 3.28Å; L346-E350 WeakPolarHBondContact O-CB 3.19Å; L346-E350 WeakPolarHBondContact O-CG 3.36Å; L346-E350 PolarHBondContact O-N 3.45Å; E350-C353 CarbonylContact O-C 3.47Å; E350-C353 PolarHBondContact O-N 2.96Å; E350-R354 VanDerWaalsContact O-CB 3.3Å; E350-R354 WeakPolarHBondContact O-CB 3.24Å; E350-R354 WeakPolarHBondContact O-CD 3.37Å; E350-R354 WeakPolarHBondContact O-CG 3.34Å; E350-R354 PolarHBondContact O-N 2.96Å; E350-R354 IonicContact OE2-CZ 3.58Å; E350-R354 IonicContact OE2-NE 3.59Å; E350-R354 PolarHBondContact OE2-NE 3.17Å; E350-R354 IonicContact OE2-NH2 2.78Å; E350-R354 PolarHBondContact OE2-NH2 3.06Å
351	Q	68.5	Low	66.4	Low	145 Å²	145	109.9 Å²	109.9	68%	0.678	54%	0.536	S	S	*	.	H	α-helix	trans	-70.1	-35.6	178.1	-172.9	156.9	-30.4	0	0	111.7	E347 Q348 S355	E347-Q351 WeakPolarHBondContact O-CB 3.36Å; E347-Q351 PolarHBondContact O-N 3.12Å; Q348-Q351 PolarHBondContact O-N 3.04Å; Q351-S355 VanDerWaalsContact O-CB 3.25Å; Q351-S355 WeakPolarHBondContact O-CB 3.32Å; Q351-S355 PolarHBondContact O-N 3.35Å
352	H	66.9	Low	66.7	Low	118 Å²	118	109.8 Å²	109.8	55%	0.546	54%	0.535	S	S	.	.	H	α-helix	trans	-66.1	-44.4	168	-75.7	-56	0	0	0	111.5	Q348 S349 R354 S355 I356	Q348-H352 VanDerWaalsContact O-CB 3.31Å; Q348-H352 WeakPolarHBondContact O-CB 3.48Å; Q348-H352 PolarHBondContact O-CD2 2.78Å; Q348-H352 PolarHBondContact O-N 3.49Å; S349-H352 PolarHBondContact O-N 3.19Å; H352-R354 PolarHBondContact O-N 3.5Å; H352-S355 CarbonylContact O-C 3.54Å; H352-S355 PolarHBondContact O-N 2.99Å; H352-I356 VanDerWaalsContact O-CB 3.3Å; H352-I356 WeakPolarHBondContact O-CB 3.36Å; H352-I356 WeakPolarHBondContact O-CG1 3.41Å; H352-I356 PolarHBondContact O-N 2.78Å
353	C	68.9	Low	67.1	Low	66 Å²	66	108.6 Å²	108.6	45%	0.446	53%	0.533	S	S	.	.	H	α-helix	trans	-63.6	-37.2	175.8	-75.8	0	0	0	0	112.8	S349 E350 Q357	S349-C353 VanDerWaalsContact O-CB 3.24Å; S349-C353 WeakPolarHBondContact O-CB 3.43Å; S349-C353 PolarHBondContact O-N 2.78Å; S349-C353 PolarHBondContact O-SG 2.86Å; E350-C353 CarbonylContact O-C 3.47Å; E350-C353 PolarHBondContact O-N 2.96Å; C353-Q357 WeakPolarHBondContact O-CB 3.47Å; C353-Q357 WeakPolarHBondContact O-CG 3.29Å; C353-Q357 PolarHBondContact O-N 3.33Å
354	R	67.4	Low	67.5	Low	152 Å²	152	105.8 Å²	105.8	57%	0.574	53%	0.53	S	S	*	.	H	α-helix	trans	-70.4	-37.6	173.3	-69	166.1	-166.7	-169.4	6.6	111.3	E350 H352 N358	E350-R354 VanDerWaalsContact O-CB 3.3Å; E350-R354 WeakPolarHBondContact O-CB 3.24Å; E350-R354 WeakPolarHBondContact O-CD 3.37Å; E350-R354 WeakPolarHBondContact O-CG 3.34Å; E350-R354 PolarHBondContact O-N 2.96Å; E350-R354 IonicContact OE2-CZ 3.58Å; E350-R354 IonicContact OE2-NE 3.59Å; E350-R354 PolarHBondContact OE2-NE 3.17Å; E350-R354 IonicContact OE2-NH2 2.78Å; E350-R354 PolarHBondContact OE2-NH2 3.06Å; H352-R354 PolarHBondContact O-N 3.5Å; R354-N358 WeakPolarHBondContact O-CB 3.45Å; R354-N358 PolarHBondContact O-N 3.01Å
355	S	70.1	Confident	68.1	Low	61 Å²	61	103.1 Å²	103.1	43%	0.427	53%	0.525	S	S	.	.	H	α-helix	trans	-68.9	-38.5	173.7	-169.6	0	0	0	0	112	Q351 H352 N358 L359	Q351-S355 VanDerWaalsContact O-CB 3.25Å; Q351-S355 WeakPolarHBondContact O-CB 3.32Å; Q351-S355 PolarHBondContact O-N 3.35Å; H352-S355 CarbonylContact O-C 3.54Å; H352-S355 PolarHBondContact O-N 2.99Å; S355-N358 PolarHBondContact O-N 3.27Å; S355-L359 WeakPolarHBondContact O-CB 3.41Å; S355-L359 WeakPolarHBondContact O-CG 3.48Å; S355-L359 PolarHBondContact O-N 2.93Å
356	I	71.1	Confident	68.7	Low	86 Å²	86	102.7 Å²	102.7	44%	0.441	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-51	173	-72.8	164.6	0	0	0	108.7	H352 N358 L359 E360	H352-I356 VanDerWaalsContact O-CB 3.3Å; H352-I356 WeakPolarHBondContact O-CB 3.36Å; H352-I356 WeakPolarHBondContact O-CG1 3.41Å; H352-I356 PolarHBondContact O-N 2.78Å; I356-N358 VanDerWaalsContact C-N 3.27Å; I356-N358 PolarHBondContact O-N 2.67Å; I356-L359 CarbonylContact O-C 3.58Å; I356-L359 WeakPolarHBondContact O-CA 3.43Å; I356-L359 PolarHBondContact O-N 2.93Å; I356-E360 HydrophobicContact CG2-CG 3.95Å; I356-E360 WeakPolarHBondContact O-CB 3.38Å; I356-E360 VanDerWaalsContact O-CG 3.31Å; I356-E360 WeakPolarHBondContact O-CG 3.41Å; I356-E360 PolarHBondContact O-N 3.41Å
357	Q	72.2	Confident	69.2	Low	130 Å²	130	101.2 Å²	101.2	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-55.1	-40.5	174.3	-87.4	-169.1	-14	0	0	112.7	C353 K361	C353-Q357 WeakPolarHBondContact O-CB 3.47Å; C353-Q357 WeakPolarHBondContact O-CG 3.29Å; C353-Q357 PolarHBondContact O-N 3.33Å; Q357-K361 WeakPolarHBondContact O-CB 3.47Å; Q357-K361 PolarHBondContact O-N 3.06Å
358	N	72.4	Confident	69.6	Low	98 Å²	98	100.6 Å²	100.6	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-67.7	-42.2	175.3	-79.8	-23.5	0	0	0	111.9	R354 S355 I356 K361 H362	R354-N358 WeakPolarHBondContact O-CB 3.45Å; R354-N358 PolarHBondContact O-N 3.01Å; S355-N358 PolarHBondContact O-N 3.27Å; I356-N358 VanDerWaalsContact C-N 3.27Å; I356-N358 PolarHBondContact O-N 2.67Å; N358-K361 PolarHBondContact O-N 2.98Å; N358-H362 WeakPolarHBondContact O-CB 3.25Å; N358-H362 PolarHBondContact O-CD2 3.21Å; N358-H362 PolarHBondContact O-N 2.83Å
359	L	65.1	Low	70	Confident	104 Å²	104	100.4 Å²	100.4	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-67.3	-36.9	175.4	-75.4	167.9	0	0	0	112.6	S355 I356 L363	S355-L359 WeakPolarHBondContact O-CB 3.41Å; S355-L359 WeakPolarHBondContact O-CG 3.48Å; S355-L359 PolarHBondContact O-N 2.93Å; I356-L359 CarbonylContact O-C 3.58Å; I356-L359 WeakPolarHBondContact O-CA 3.43Å; I356-L359 PolarHBondContact O-N 2.93Å; L359-L363 VanDerWaalsContact O-CB 3.22Å; L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 WeakPolarHBondContact O-CG 3.42Å; L359-L363 PolarHBondContact O-N 3.38Å
360	E	71	Confident	70.6	Confident	112 Å²	112	101.9 Å²	101.9	52%	0.523	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-37.1	173.1	-74.2	178.8	148.6	0	0	111.4	I356 L363 A364	I356-E360 HydrophobicContact CG2-CG 3.95Å; I356-E360 WeakPolarHBondContact O-CB 3.38Å; I356-E360 VanDerWaalsContact O-CG 3.31Å; I356-E360 WeakPolarHBondContact O-CG 3.41Å; I356-E360 PolarHBondContact O-N 3.41Å; E360-L363 CarbonylContact O-C 3.58Å; E360-L363 PolarHBondContact O-N 2.94Å; E360-A364 WeakPolarHBondContact O-CB 3.21Å; E360-A364 PolarHBondContact O-N 3.09Å
361	K	73.1	Confident	71	Confident	156 Å²	156	101.8 Å²	101.8	68%	0.678	52%	0.519	S	S	*	.	H	α-helix	trans	-73.5	-36.2	176	-164.4	173.3	-168.9	176.5	0	111.4	Q357 N358 S365	Q357-K361 WeakPolarHBondContact O-CB 3.47Å; Q357-K361 PolarHBondContact O-N 3.06Å; N358-K361 PolarHBondContact O-N 2.98Å; K361-S365 WeakPolarHBondContact O-CB 3.46Å; K361-S365 PolarHBondContact O-N 2.82Å
362	H	69.6	Low	71.4	Confident	123 Å²	123	100 Å²	100	57%	0.569	51%	0.508	S	S	*	.	H	α-helix	trans	-68.1	-38.9	167.6	-81.8	-65.9	0	0	0	112.1	N358 N366	N358-H362 WeakPolarHBondContact O-CB 3.25Å; N358-H362 PolarHBondContact O-CD2 3.21Å; N358-H362 PolarHBondContact O-N 2.83Å; H362-N366 WeakPolarHBondContact O-CB 3.45Å; H362-N366 PolarHBondContact O-N 2.94Å; H362-N366 PolarHBondContact O-OD1 2.88Å
363	L	69.3	Low	71.7	Confident	114 Å²	114	97 Å²	97	60%	0.597	50%	0.501	S	S	*	.	H	α-helix	trans	-68.9	-38.9	174.5	-86.4	167.7	0	0	0	111.8	L359 E360 T367	L359-L363 VanDerWaalsContact O-CB 3.22Å; L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 WeakPolarHBondContact O-CG 3.42Å; L359-L363 PolarHBondContact O-N 3.38Å; E360-L363 CarbonylContact O-C 3.58Å; E360-L363 PolarHBondContact O-N 2.94Å; L363-T367 WeakPolarHBondContact O-CA 3.47Å; L363-T367 WeakPolarHBondContact O-CB 3.26Å; L363-T367 PolarHBondContact O-N 3.29Å; L363-T367 PolarHBondContact O-OG1 2.63Å
364	A	72.7	Confident	71.9	Confident	58 Å²	58	97.1 Å²	97.1	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-68.4	-44.9	175.3	0	0	0	0	0	110.6	E360 T367 E368	E360-A364 WeakPolarHBondContact O-CB 3.21Å; E360-A364 PolarHBondContact O-N 3.09Å; A364-T367 CarbonylContact O-C 3.43Å; A364-T367 PolarHBondContact O-N 3.19Å; A364-E368 WeakPolarHBondContact O-CB 3.4Å; A364-E368 PolarHBondContact O-N 2.97Å
365	S	76.4	Confident	72.3	Confident	53 Å²	53	93.9 Å²	93.9	37%	0.371	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-47.7	173.6	-167.4	0	0	0	0	111.3	K361 T367 E368 E369	K361-S365 WeakPolarHBondContact O-CB 3.46Å; K361-S365 PolarHBondContact O-N 2.82Å; S365-T367 VanDerWaalsContact C-N 3.31Å; S365-T367 PolarHBondContact O-N 2.82Å; S365-E368 CarbonylContact O-C 3.47Å; S365-E368 PolarHBondContact O-N 2.93Å; S365-E369 WeakPolarHBondContact O-CB 3.26Å; S365-E369 PolarHBondContact O-N 2.92Å
366	N	71.5	Confident	72.5	Confident	83 Å²	83	94.9 Å²	94.9	44%	0.444	49%	0.488	S	S	.	.	H	α-helix	trans	-66.2	-31.8	175.6	-74	6.4	0	0	0	111.8	H362 I370	H362-N366 WeakPolarHBondContact O-CB 3.45Å; H362-N366 PolarHBondContact O-N 2.94Å; H362-N366 PolarHBondContact O-OD1 2.88Å; N366-I370 WeakPolarHBondContact O-CA 3.43Å; N366-I370 WeakPolarHBondContact O-CB 3.23Å; N366-I370 WeakPolarHBondContact O-CD1 3.39Å; N366-I370 WeakPolarHBondContact O-CG1 3.36Å; N366-I370 PolarHBondContact O-N 3.07Å
367	T	75	Confident	72.4	Confident	70 Å²	70	94.2 Å²	94.2	43%	0.429	49%	0.485	S	S	.	.	H	α-helix	trans	-74	-32.8	174.7	-62.2	0	0	0	0	110.8	L363 A364 S365 N371	L363-T367 WeakPolarHBondContact O-CA 3.47Å; L363-T367 WeakPolarHBondContact O-CB 3.26Å; L363-T367 PolarHBondContact O-N 3.29Å; L363-T367 PolarHBondContact O-OG1 2.63Å; A364-T367 CarbonylContact O-C 3.43Å; A364-T367 PolarHBondContact O-N 3.19Å; S365-T367 VanDerWaalsContact C-N 3.31Å; S365-T367 PolarHBondContact O-N 2.82Å; T367-N371 WeakPolarHBondContact O-CB 3.46Å; T367-N371 PolarHBondContact O-N 3.35Å; T367-N371 PolarHBondContact O-ND2 3.3Å; T367-N371 VanDerWaalsContact O-ND2 3.14Å
368	E	71	Confident	72.5	Confident	107 Å²	107	93.6 Å²	93.6	50%	0.5	48%	0.48	S	S	.	.	H	α-helix	trans	-73.5	-36.6	172.7	-154.3	-165.2	146.2	0	0	111.2	A364 S365 N371 K372	A364-E368 WeakPolarHBondContact O-CB 3.4Å; A364-E368 PolarHBondContact O-N 2.97Å; S365-E368 CarbonylContact O-C 3.47Å; S365-E368 PolarHBondContact O-N 2.93Å; E368-N371 PolarHBondContact O-N 3.17Å; E368-K372 VanDerWaalsContact O-CB 3.3Å; E368-K372 WeakPolarHBondContact O-CB 3.45Å; E368-K372 WeakPolarHBondContact O-CD 3.49Å; E368-K372 WeakPolarHBondContact O-CG 3.46Å; E368-K372 PolarHBondContact O-N 2.78Å; E368-K372 WeakPolarHBondContact OE1-CE 3.46Å; E368-K372 IonicContact OE1-NZ 3.74Å; E368-K372 PolarHBondContact OE1-NZ 3.04Å; E368-K372 IonicContact OE2-NZ 2.72Å
369	E	72.2	Confident	72.6	Confident	119 Å²	119	94.9 Å²	94.9	56%	0.556	48%	0.478	S	S	*	.	H	α-helix	trans	-70.4	-39.5	170.8	-75.8	-171.4	-171	0	0	112.4	S365 N371 K372 S373	S365-E369 WeakPolarHBondContact O-CB 3.26Å; S365-E369 PolarHBondContact O-N 2.92Å; E369-N371 VanDerWaalsContact C-N 3.32Å; E369-K372 PolarHBondContact O-N 3.44Å; E369-S373 WeakPolarHBondContact O-CA 3.24Å; E369-S373 WeakPolarHBondContact O-CB 3.39Å; E369-S373 PolarHBondContact O-N 2.9Å
370	I	73	Confident	72.9	Confident	95 Å²	95	94.4 Å²	94.4	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-66.8	-34.8	171.5	-74.2	164.6	0	0	0	110	N366 N374	N366-I370 WeakPolarHBondContact O-CA 3.43Å; N366-I370 WeakPolarHBondContact O-CB 3.23Å; N366-I370 WeakPolarHBondContact O-CD1 3.39Å; N366-I370 WeakPolarHBondContact O-CG1 3.36Å; N366-I370 PolarHBondContact O-N 3.07Å; I370-N374 WeakPolarHBondContact CG2-ND2 3.47Å; I370-N374 WeakPolarHBondContact O-CA 3.38Å; I370-N374 WeakPolarHBondContact O-CB 3.48Å; I370-N374 PolarHBondContact O-N 2.86Å; I370-N374 PolarHBondContact O-ND2 3.25Å; I370-N374 VanDerWaalsContact O-ND2 3.15Å
371	N	74.6	Confident	73	Confident	88 Å²	88	93.9 Å²	93.9	47%	0.471	47%	0.473	S	S	.	.	H	α-helix	trans	-74.5	-38.4	173.6	-78.5	-30.9	0	0	0	112.2	T367 E368 E369 S373 N374 E375	T367-N371 WeakPolarHBondContact O-CB 3.46Å; T367-N371 PolarHBondContact O-N 3.35Å; T367-N371 PolarHBondContact O-ND2 3.3Å; T367-N371 VanDerWaalsContact O-ND2 3.14Å; E368-N371 PolarHBondContact O-N 3.17Å; E369-N371 VanDerWaalsContact C-N 3.32Å; N371-S373 VanDerWaalsContact C-N 3.34Å; N371-N374 PolarHBondContact O-N 2.75Å; N371-E375 VanDerWaalsContact O-CB 3.3Å; N371-E375 WeakPolarHBondContact O-CB 3.49Å; N371-E375 WeakPolarHBondContact O-CG 3.49Å; N371-E375 PolarHBondContact O-N 3.39Å
372	K	76.7	Confident	72.8	Confident	106 Å²	106	89.7 Å²	89.7	46%	0.461	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-42.8	170	-75	161.1	-173.3	161.3	0	110.7	E368 E369 E375 I376	E368-K372 VanDerWaalsContact O-CB 3.3Å; E368-K372 WeakPolarHBondContact O-CB 3.45Å; E368-K372 WeakPolarHBondContact O-CD 3.49Å; E368-K372 WeakPolarHBondContact O-CG 3.46Å; E368-K372 PolarHBondContact O-N 2.78Å; E368-K372 WeakPolarHBondContact OE1-CE 3.46Å; E368-K372 IonicContact OE1-NZ 3.74Å; E368-K372 PolarHBondContact OE1-NZ 3.04Å; E368-K372 IonicContact OE2-NZ 2.72Å; E369-K372 PolarHBondContact O-N 3.44Å; K372-E375 PolarHBondContact O-N 3.46Å; K372-I376 VanDerWaalsContact O-CB 3.29Å; K372-I376 WeakPolarHBondContact O-CB 3.34Å; K372-I376 WeakPolarHBondContact O-CD1 3.42Å; K372-I376 WeakPolarHBondContact O-CG1 3.47Å; K372-I376 PolarHBondContact O-N 3.21Å
373	S	72.1	Confident	73	Confident	55 Å²	55	87.7 Å²	87.7	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-64.8	-44.1	174.3	-176.2	0	0	0	0	111.2	E369 N371 E375 I376 I377	E369-S373 WeakPolarHBondContact O-CA 3.24Å; E369-S373 WeakPolarHBondContact O-CB 3.39Å; E369-S373 PolarHBondContact O-N 2.9Å; N371-S373 VanDerWaalsContact C-N 3.34Å; S373-E375 PolarHBondContact O-N 3.31Å; S373-I376 CarbonylContact O-C 3.58Å; S373-I376 PolarHBondContact O-N 3.18Å; S373-I377 VanDerWaalsContact O-CB 3.28Å; S373-I377 WeakPolarHBondContact O-CB 3.28Å; S373-I377 WeakPolarHBondContact O-CD1 3.23Å; S373-I377 WeakPolarHBondContact O-CG1 3.44Å; S373-I377 PolarHBondContact O-N 3.24Å
374	N	73.4	Confident	73.3	Confident	69 Å²	69	86.5 Å²	86.5	37%	0.369	45%	0.451	S	S	.	.	H	α-helix	trans	-67.9	-33.8	175.8	-77.8	-30	0	0	0	112.2	I370 N371 I377 K378	I370-N374 WeakPolarHBondContact CG2-ND2 3.47Å; I370-N374 WeakPolarHBondContact O-CA 3.38Å; I370-N374 WeakPolarHBondContact O-CB 3.48Å; I370-N374 PolarHBondContact O-N 2.86Å; I370-N374 PolarHBondContact O-ND2 3.25Å; I370-N374 VanDerWaalsContact O-ND2 3.15Å; N371-N374 PolarHBondContact O-N 2.75Å; N374-I377 PolarHBondContact O-N 2.8Å; N374-K378 VanDerWaalsContact O-CB 3.3Å; N374-K378 WeakPolarHBondContact O-CB 3.38Å; N374-K378 WeakPolarHBondContact O-CG 3.21Å; N374-K378 PolarHBondContact O-N 3.03Å
375	E	75.3	Confident	73.3	Confident	84 Å²	84	90 Å²	90	39%	0.393	46%	0.455	S	S	.	.	H	α-helix	trans	-73.2	-35.5	171.6	-76.4	-58.3	128.8	0	0	111.6	N371 K372 S373 K378 R379	N371-E375 VanDerWaalsContact O-CB 3.3Å; N371-E375 WeakPolarHBondContact O-CB 3.49Å; N371-E375 WeakPolarHBondContact O-CG 3.49Å; N371-E375 PolarHBondContact O-N 3.39Å; K372-E375 PolarHBondContact O-N 3.46Å; S373-E375 PolarHBondContact O-N 3.31Å; E375-K378 VanDerWaalsContact OE1-CD 3.32Å; E375-K378 WeakPolarHBondContact OE1-CD 3.48Å; E375-K378 WeakPolarHBondContact OE1-CE 3.34Å; E375-K378 IonicContact OE1-NZ 3.14Å; E375-K378 PolarHBondContact OE1-NZ 2.92Å; E375-R379 WeakPolarHBondContact O-CB 3.48Å; E375-R379 PolarHBondContact O-N 3.26Å
376	I	73.8	Confident	73.2	Confident	82 Å²	82	90.3 Å²	90.3	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-40.1	169.6	-73.5	162.1	0	0	0	110.3	K372 S373 R379 L380	K372-I376 VanDerWaalsContact O-CB 3.29Å; K372-I376 WeakPolarHBondContact O-CB 3.34Å; K372-I376 WeakPolarHBondContact O-CD1 3.42Å; K372-I376 WeakPolarHBondContact O-CG1 3.47Å; K372-I376 PolarHBondContact O-N 3.21Å; S373-I376 CarbonylContact O-C 3.58Å; S373-I376 PolarHBondContact O-N 3.18Å; I376-R379 PolarHBondContact O-N 3.11Å; I376-L380 HydrophobicContact CG2-CD1 3.75Å; I376-L380 HydrophobicContact CG2-CG 4.27Å; I376-L380 WeakPolarHBondContact O-CB 3.33Å; I376-L380 WeakPolarHBondContact O-CG 3.38Å; I376-L380 PolarHBondContact O-N 3.28Å
377	I	69	Low	73.3	Confident	72 Å²	72	92.5 Å²	92.5	37%	0.369	46%	0.464	S	S	.	.	H	α-helix	trans	-71.3	-40.7	177.3	-72.3	163.2	0	0	0	110.2	S373 N374 R379 Q381	S373-I377 VanDerWaalsContact O-CB 3.28Å; S373-I377 WeakPolarHBondContact O-CB 3.28Å; S373-I377 WeakPolarHBondContact O-CD1 3.23Å; S373-I377 WeakPolarHBondContact O-CG1 3.44Å; S373-I377 PolarHBondContact O-N 3.24Å; N374-I377 PolarHBondContact O-N 2.8Å; I377-R379 VanDerWaalsContact C-N 3.35Å; I377-Q381 HydrophobicContact CG2-CG 4.28Å; I377-Q381 WeakPolarHBondContact O-CA 3.32Å; I377-Q381 WeakPolarHBondContact O-CB 3.36Å; I377-Q381 WeakPolarHBondContact O-CG 3.24Å; I377-Q381 PolarHBondContact O-N 3.22Å
378	K	74.8	Confident	73.3	Confident	117 Å²	117	94.7 Å²	94.7	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-62.6	-42.2	170.3	-77.6	175	-161.8	168.4	0	111	N374 E375 Q381 S382	N374-K378 VanDerWaalsContact O-CB 3.3Å; N374-K378 WeakPolarHBondContact O-CB 3.38Å; N374-K378 WeakPolarHBondContact O-CG 3.21Å; N374-K378 PolarHBondContact O-N 3.03Å; E375-K378 VanDerWaalsContact OE1-CD 3.32Å; E375-K378 WeakPolarHBondContact OE1-CD 3.48Å; E375-K378 WeakPolarHBondContact OE1-CE 3.34Å; E375-K378 IonicContact OE1-NZ 3.14Å; E375-K378 PolarHBondContact OE1-NZ 2.92Å; K378-Q381 CarbonylContact O-C 3.55Å; K378-Q381 PolarHBondContact O-N 3.41Å; K378-S382 VanDerWaalsContact O-CB 3.26Å; K378-S382 WeakPolarHBondContact O-CB 3.36Å; K378-S382 PolarHBondContact O-N 3.04Å; K378-S382 PolarHBondContact O-OG 3.35Å
379	R	74.9	Confident	73.3	Confident	126 Å²	126	93.5 Å²	93.5	48%	0.475	47%	0.469	S	S	.	.	H	α-helix	trans	-65.4	-49.5	178	-166.1	179.7	-51.4	114	13.9	110.6	E375 I376 I377 Q381 S382 E383	E375-R379 WeakPolarHBondContact O-CB 3.48Å; E375-R379 PolarHBondContact O-N 3.26Å; I376-R379 PolarHBondContact O-N 3.11Å; I377-R379 VanDerWaalsContact C-N 3.35Å; R379-Q381 VanDerWaalsContact C-N 3.33Å; R379-Q381 PolarHBondContact O-N 3.42Å; R379-S382 CarbonylContact O-C 3.58Å; R379-S382 PolarHBondContact O-N 3.49Å; R379-S382 VanDerWaalsContact O-N 3.12Å; R379-S382 PolarHBondContact O-OG 3.08Å; R379-E383 VanDerWaalsContact O-CB 3.32Å; R379-E383 WeakPolarHBondContact O-CB 3.43Å; R379-E383 WeakPolarHBondContact O-CG 3.47Å; R379-E383 PolarHBondContact O-N 3.01Å
380	L	72.6	Confident	73.4	Confident	93 Å²	93	93.5 Å²	93.5	49%	0.487	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-32.9	172.8	-72.4	172.5	0	0	0	112.5	I376 V384	I376-L380 HydrophobicContact CG2-CD1 3.75Å; I376-L380 HydrophobicContact CG2-CG 4.27Å; I376-L380 WeakPolarHBondContact O-CB 3.33Å; I376-L380 WeakPolarHBondContact O-CG 3.38Å; I376-L380 PolarHBondContact O-N 3.28Å; L380-V384 WeakPolarHBondContact O-CA 3.38Å; L380-V384 WeakPolarHBondContact O-CB 3.28Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.44Å
381	Q	71.1	Confident	73.3	Confident	102 Å²	102	91.9 Å²	91.9	48%	0.477	47%	0.468	S	S	.	.	H	α-helix	trans	-73.8	-33.6	172.5	-79.1	178.5	11.4	0	0	111.9	I377 K378 R379 K385	I377-Q381 HydrophobicContact CG2-CG 4.28Å; I377-Q381 WeakPolarHBondContact O-CA 3.32Å; I377-Q381 WeakPolarHBondContact O-CB 3.36Å; I377-Q381 WeakPolarHBondContact O-CG 3.24Å; I377-Q381 PolarHBondContact O-N 3.22Å; K378-Q381 CarbonylContact O-C 3.55Å; K378-Q381 PolarHBondContact O-N 3.41Å; R379-Q381 VanDerWaalsContact C-N 3.33Å; R379-Q381 PolarHBondContact O-N 3.42Å; Q381-K385 WeakPolarHBondContact O-CB 3.49Å; Q381-K385 WeakPolarHBondContact O-CD 3.22Å; Q381-K385 WeakPolarHBondContact O-CG 3.26Å; Q381-K385 PolarHBondContact O-N 3Å
382	S	70.5	Confident	73.1	Confident	67 Å²	67	94.5 Å²	94.5	47%	0.469	48%	0.475	S	S	.	.	H	α-helix	trans	-75.2	-34.1	174.8	78.4	0	0	0	0	111.4	K378 R379 S386	K378-S382 VanDerWaalsContact O-CB 3.26Å; K378-S382 WeakPolarHBondContact O-CB 3.36Å; K378-S382 PolarHBondContact O-N 3.04Å; K378-S382 PolarHBondContact O-OG 3.35Å; R379-S382 CarbonylContact O-C 3.58Å; R379-S382 PolarHBondContact O-N 3.49Å; R379-S382 VanDerWaalsContact O-N 3.12Å; R379-S382 PolarHBondContact O-OG 3.08Å; S382-S386 WeakPolarHBondContact O-CA 3.48Å; S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 2.81Å
383	E	73.1	Confident	72.8	Confident	81 Å²	81	94 Å²	94	38%	0.379	48%	0.477	S	S	.	.	H	α-helix	trans	-71.7	-43.9	170.9	-77.2	175.4	-160.8	0	0	110.4	R379 S386 F387	R379-E383 VanDerWaalsContact O-CB 3.32Å; R379-E383 WeakPolarHBondContact O-CB 3.43Å; R379-E383 WeakPolarHBondContact O-CG 3.47Å; R379-E383 PolarHBondContact O-N 3.01Å; E383-S386 CarbonylContact O-C 3.53Å; E383-S386 WeakPolarHBondContact O-CB 3.35Å; E383-S386 PolarHBondContact O-N 3.2Å; E383-F387 HydrophobicContact CB-CD2 4.22Å; E383-F387 HydrophobicContact CB-CE2 4.16Å; E383-F387 VanDerWaalsContact O-CB 3.28Å; E383-F387 WeakPolarHBondContact O-CB 3.38Å; E383-F387 WeakPolarHBondContact O-CD2 3.4Å; E383-F387 WeakPolarHBondContact O-CG 3.37Å; E383-F387 PolarHBondContact O-N 2.95Å
384	V	74.9	Confident	72.8	Confident	90 Å²	90	100.6 Å²	100.6	55%	0.545	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-42.5	172.9	165.8	0	0	0	0	110.5	L380 S386 Q388	L380-V384 WeakPolarHBondContact O-CA 3.38Å; L380-V384 WeakPolarHBondContact O-CB 3.28Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.44Å; V384-S386 VanDerWaalsContact C-N 3.35Å; V384-S386 PolarHBondContact O-N 3.26Å; V384-Q388 WeakPolarHBondContact O-CA 3.29Å; V384-Q388 WeakPolarHBondContact O-CB 3.23Å; V384-Q388 PolarHBondContact O-N 2.82Å
385	K	74.1	Confident	72.6	Confident	130 Å²	130	99.1 Å²	99.1	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-64.8	-37.7	172.2	-75.9	169	-178	174	0	111.9	Q381 T389	Q381-K385 WeakPolarHBondContact O-CB 3.49Å; Q381-K385 WeakPolarHBondContact O-CD 3.22Å; Q381-K385 WeakPolarHBondContact O-CG 3.26Å; Q381-K385 PolarHBondContact O-N 3Å; K385-T389 VanDerWaalsContact O-CB 3.23Å; K385-T389 WeakPolarHBondContact O-CB 3.47Å; K385-T389 PolarHBondContact O-N 3.32Å; K385-T389 PolarHBondContact O-OG1 3.32Å
386	S	73.5	Confident	72.4	Confident	61 Å²	61	101.3 Å²	101.3	43%	0.427	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-54	175	173.9	0	0	0	0	110.6	S382 E383 V384 Q388 T389 K390	S382-S386 WeakPolarHBondContact O-CA 3.48Å; S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 2.81Å; E383-S386 CarbonylContact O-C 3.53Å; E383-S386 WeakPolarHBondContact O-CB 3.35Å; E383-S386 PolarHBondContact O-N 3.2Å; V384-S386 VanDerWaalsContact C-N 3.35Å; V384-S386 PolarHBondContact O-N 3.26Å; S386-Q388 VanDerWaalsContact C-N 3.34Å; S386-Q388 PolarHBondContact O-N 2.8Å; S386-T389 CarbonylContact O-C 3.48Å; S386-T389 PolarHBondContact O-N 3.15Å; S386-K390 WeakPolarHBondContact O-CB 3.49Å; S386-K390 PolarHBondContact O-N 3.04Å
387	F	74.5	Confident	72.3	Confident	129 Å²	129	100.8 Å²	100.8	57%	0.566	51%	0.505	S	S	*	.	H	α-helix	trans	-61.7	-36.8	175	-72.6	-56.3	0	0	0	112.2	E383 K390 A391	E383-F387 HydrophobicContact CB-CD2 4.22Å; E383-F387 HydrophobicContact CB-CE2 4.16Å; E383-F387 VanDerWaalsContact O-CB 3.28Å; E383-F387 WeakPolarHBondContact O-CB 3.38Å; E383-F387 WeakPolarHBondContact O-CD2 3.4Å; E383-F387 WeakPolarHBondContact O-CG 3.37Å; E383-F387 PolarHBondContact O-N 2.95Å; F387-K390 CarbonylContact O-C 3.55Å; F387-K390 PolarHBondContact O-N 2.92Å; F387-A391 WeakPolarHBondContact O-CA 3.46Å; F387-A391 WeakPolarHBondContact O-CB 3.35Å; F387-A391 PolarHBondContact O-N 2.78Å
388	Q	74.9	Confident	72.2	Confident	116 Å²	116	99.3 Å²	99.3	54%	0.542	50%	0.504	S	S	.	.	H	α-helix	trans	-72.5	-34.5	176.1	-170.1	177.5	35.8	0	0	111.6	V384 S386 K392	V384-Q388 WeakPolarHBondContact O-CA 3.29Å; V384-Q388 WeakPolarHBondContact O-CB 3.23Å; V384-Q388 PolarHBondContact O-N 2.82Å; S386-Q388 VanDerWaalsContact C-N 3.34Å; S386-Q388 PolarHBondContact O-N 2.8Å; Q388-K392 WeakPolarHBondContact O-CB 3.47Å; Q388-K392 WeakPolarHBondContact O-CG 3.31Å; Q388-K392 PolarHBondContact O-N 2.97Å
389	T	70.6	Confident	71.8	Confident	82 Å²	82	96.6 Å²	96.6	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-72.5	-38.7	171.7	-55.5	0	0	0	0	111.1	K385 S386 K392 L393	K385-T389 VanDerWaalsContact O-CB 3.23Å; K385-T389 WeakPolarHBondContact O-CB 3.47Å; K385-T389 PolarHBondContact O-N 3.32Å; K385-T389 PolarHBondContact O-OG1 3.32Å; S386-T389 CarbonylContact O-C 3.48Å; S386-T389 PolarHBondContact O-N 3.15Å; T389-K392 PolarHBondContact O-N 2.87Å; T389-L393 WeakPolarHBondContact O-CB 3.31Å; T389-L393 PolarHBondContact O-N 3.26Å
390	K	74.8	Confident	71.6	Confident	119 Å²	119	94.6 Å²	94.6	52%	0.517	50%	0.499	S	S	.	.	H	α-helix	trans	-74.5	-24.3	177	-161.2	172.8	-167.5	173.1	0	112.2	S386 F387 R394	S386-K390 WeakPolarHBondContact O-CB 3.49Å; S386-K390 PolarHBondContact O-N 3.04Å; F387-K390 CarbonylContact O-C 3.55Å; F387-K390 PolarHBondContact O-N 2.92Å; K390-R394 WeakPolarHBondContact O-CB 3.23Å; K390-R394 VanDerWaalsContact O-CG 3.3Å; K390-R394 WeakPolarHBondContact O-CG 3.42Å; K390-R394 PolarHBondContact O-N 2.91Å
391	A	70.1	Confident	71.6	Confident	60 Å²	60	95.9 Å²	95.9	50%	0.496	50%	0.503	S	S	.	.	H	α-helix	trans	-86	-30.9	170.5	0	0	0	0	0	111.9	F387 G395	F387-A391 WeakPolarHBondContact O-CA 3.46Å; F387-A391 WeakPolarHBondContact O-CB 3.35Å; F387-A391 PolarHBondContact O-N 2.78Å; A391-G395 WeakPolarHBondContact O-CA 3.37Å; A391-G395 PolarHBondContact O-N 3.08Å
392	K	70.3	Confident	71.4	Confident	143 Å²	143	96.5 Å²	96.5	62%	0.622	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-45.6	163.4	-81.4	-178.8	176.7	-174.8	0	110.8	Q388 T389 G395 Q396	Q388-K392 WeakPolarHBondContact O-CB 3.47Å; Q388-K392 WeakPolarHBondContact O-CG 3.31Å; Q388-K392 PolarHBondContact O-N 2.97Å; T389-K392 PolarHBondContact O-N 2.87Å; K392-G395 CarbonylContact O-C 3.6Å; K392-G395 PolarHBondContact O-N 3.4Å; K392-Q396 WeakPolarHBondContact O-CB 3.41Å; K392-Q396 WeakPolarHBondContact O-CG 3.33Å; K392-Q396 PolarHBondContact O-N 2.81Å
393	L	70.8	Confident	71.3	Confident	97 Å²	97	100.9 Å²	100.9	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-44.4	174	-92.8	160.9	0	0	0	112.1	T389 G395 Q396 V397	T389-L393 WeakPolarHBondContact O-CB 3.31Å; T389-L393 PolarHBondContact O-N 3.26Å; L393-G395 VanDerWaalsContact C-N 3.29Å; L393-G395 PolarHBondContact O-N 2.94Å; L393-Q396 PolarHBondContact O-N 3.35Å; L393-V397 VanDerWaalsContact O-CB 3.23Å; L393-V397 WeakPolarHBondContact O-CB 3.46Å; L393-V397 VanDerWaalsContact O-CG2 3.22Å; L393-V397 WeakPolarHBondContact O-CG2 3.33Å; L393-V397 PolarHBondContact O-N 2.91Å
394	R	71.7	Confident	71.3	Confident	192 Å²	192	101.3 Å²	101.3	73%	0.725	52%	0.516	S	S	*	.	H	α-helix	trans	-66.7	-28.6	171.8	-82.1	-174.8	172	-162	-2.4	112.8	K390 A398	K390-R394 WeakPolarHBondContact O-CB 3.23Å; K390-R394 VanDerWaalsContact O-CG 3.3Å; K390-R394 WeakPolarHBondContact O-CG 3.42Å; K390-R394 PolarHBondContact O-N 2.91Å; R394-A398 WeakPolarHBondContact O-CA 3.35Å; R394-A398 WeakPolarHBondContact O-CB 3.47Å; R394-A398 PolarHBondContact O-N 3.02Å
395	G	69.8	Low	70.9	Confident	38 Å²	38	101.8 Å²	101.8	39%	0.392	52%	0.515	S	S	.	.	H	α-helix	trans	-76.3	-34.7	175.5	0	0	0	0	0	112.7	A391 K392 L393 A399	A391-G395 WeakPolarHBondContact O-CA 3.37Å; A391-G395 PolarHBondContact O-N 3.08Å; K392-G395 CarbonylContact O-C 3.6Å; K392-G395 PolarHBondContact O-N 3.4Å; L393-G395 VanDerWaalsContact C-N 3.29Å; L393-G395 PolarHBondContact O-N 2.94Å; G395-A399 WeakPolarHBondContact O-CB 3.05Å; G395-A399 PolarHBondContact O-N 3.48Å
396	Q	70.8	Confident	70.7	Confident	131 Å²	131	100.1 Å²	100.1	61%	0.612	52%	0.516	S	S	*	.	H	α-helix	trans	-73.3	-44.1	170.9	-75.6	175.3	-39.9	0	0	111.3	K392 L393 A399 E400	K392-Q396 WeakPolarHBondContact O-CB 3.41Å; K392-Q396 WeakPolarHBondContact O-CG 3.33Å; K392-Q396 PolarHBondContact O-N 2.81Å; L393-Q396 PolarHBondContact O-N 3.35Å; Q396-A399 PolarHBondContact O-N 3.09Å; Q396-E400 WeakPolarHBondContact O-CB 3.39Å; Q396-E400 PolarHBondContact O-N 2.83Å
397	V	72.3	Confident	70.7	Confident	71 Å²	71	100.2 Å²	100.2	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-66	-39.6	173.9	170	0	0	0	0	110.5	L393 Q401	L393-V397 VanDerWaalsContact O-CB 3.23Å; L393-V397 WeakPolarHBondContact O-CB 3.46Å; L393-V397 VanDerWaalsContact O-CG2 3.22Å; L393-V397 WeakPolarHBondContact O-CG2 3.33Å; L393-V397 PolarHBondContact O-N 2.91Å; V397-Q401 HydrophobicContact CG1-CG 4.26Å; V397-Q401 WeakPolarHBondContact O-CB 3.33Å; V397-Q401 WeakPolarHBondContact O-CG 3.31Å; V397-Q401 PolarHBondContact O-N 2.81Å
398	A	65.7	Low	70.5	Confident	40 Å²	40	100 Å²	100	33%	0.331	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-52.3	171.8	0	0	0	0	0	110.4	R394 E400 Q401 E402	R394-A398 WeakPolarHBondContact O-CA 3.35Å; R394-A398 WeakPolarHBondContact O-CB 3.47Å; R394-A398 PolarHBondContact O-N 3.02Å; A398-E400 VanDerWaalsContact C-N 3.26Å; A398-E400 PolarHBondContact O-N 2.77Å; A398-Q401 CarbonylContact O-C 3.6Å; A398-Q401 WeakPolarHBondContact O-CA 3.36Å; A398-Q401 WeakPolarHBondContact O-CB 3.45Å; A398-Q401 PolarHBondContact O-N 3.38Å; A398-Q401 VanDerWaalsContact O-N 3.09Å; A398-E402 VanDerWaalsContact O-CB 3.29Å; A398-E402 WeakPolarHBondContact O-CB 3.39Å; A398-E402 PolarHBondContact O-N 2.85Å
399	A	66.4	Low	70.4	Confident	60 Å²	60	97.8 Å²	97.8	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-60.7	-32.2	178.4	0	0	0	0	0	113.4	G395 Q396 R403	G395-A399 WeakPolarHBondContact O-CB 3.05Å; G395-A399 PolarHBondContact O-N 3.48Å; Q396-A399 PolarHBondContact O-N 3.09Å; A399-R403 VanDerWaalsContact O-CB 3.28Å; A399-R403 WeakPolarHBondContact O-CB 3.36Å; A399-R403 PolarHBondContact O-N 2.76Å
400	E	70.5	Confident	70.2	Confident	85 Å²	85	96.7 Å²	96.7	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-80.1	-31.4	175.2	-171.3	66.7	176.7	0	0	112	Q396 A398 E402 R403 L404	Q396-E400 WeakPolarHBondContact O-CB 3.39Å; Q396-E400 PolarHBondContact O-N 2.83Å; A398-E400 VanDerWaalsContact C-N 3.26Å; A398-E400 PolarHBondContact O-N 2.77Å; E400-E402 VanDerWaalsContact C-N 3.35Å; E400-R403 PolarHBondContact O-N 3.17Å; E400-R403 IonicContact OE1-CZ 3.77Å; E400-R403 IonicContact OE1-NE 3.64Å; E400-R403 IonicContact OE1-NH2 3.53Å; E400-R403 PolarHBondContact OE1-NH2 2.63Å; E400-R403 IonicContact OE2-CZ 3.9Å; E400-R403 IonicContact OE2-NE 3.9Å; E400-R403 PolarHBondContact OE2-NE 3.3Å; E400-R403 IonicContact OE2-NH2 3.93Å; E400-R403 PolarHBondContact OE2-NH2 2.78Å; E400-L404 VanDerWaalsContact O-CB 3.26Å; E400-L404 WeakPolarHBondContact O-CB 3.45Å; E400-L404 WeakPolarHBondContact O-CG 3.4Å; E400-L404 PolarHBondContact O-N 3.13Å
401	Q	74.3	Confident	70	Confident	119 Å²	119	94.3 Å²	94.3	56%	0.556	50%	0.496	S	S	*	.	H	α-helix	trans	-69.7	-31.7	166.8	-77.6	173.1	-21.5	0	0	111.8	V397 A398 L404 L405	V397-Q401 HydrophobicContact CG1-CG 4.26Å; V397-Q401 WeakPolarHBondContact O-CB 3.33Å; V397-Q401 WeakPolarHBondContact O-CG 3.31Å; V397-Q401 PolarHBondContact O-N 2.81Å; A398-Q401 CarbonylContact O-C 3.6Å; A398-Q401 WeakPolarHBondContact O-CA 3.36Å; A398-Q401 WeakPolarHBondContact O-CB 3.45Å; A398-Q401 PolarHBondContact O-N 3.38Å; A398-Q401 VanDerWaalsContact O-N 3.09Å; Q401-L404 CarbonylContact O-C 3.55Å; Q401-L405 WeakPolarHBondContact O-CA 3.11Å; Q401-L405 WeakPolarHBondContact O-CB 3.31Å; Q401-L405 WeakPolarHBondContact O-CG 3.35Å; Q401-L405 PolarHBondContact O-N 3.49Å
402	E	65	Low	69.9	Low	116 Å²	116	96.4 Å²	96.4	54%	0.542	50%	0.498	S	S	.	.	H	α-helix	trans	-72.6	-40.7	173	-146.8	79.2	-127	0	0	109.2	A398 E400 L405 V406	A398-E402 VanDerWaalsContact O-CB 3.29Å; A398-E402 WeakPolarHBondContact O-CB 3.39Å; A398-E402 PolarHBondContact O-N 2.85Å; E400-E402 VanDerWaalsContact C-N 3.35Å; E402-L405 PolarHBondContact O-N 2.94Å; E402-V406 VanDerWaalsContact O-CB 3.31Å; E402-V406 WeakPolarHBondContact O-CB 3.21Å; E402-V406 VanDerWaalsContact O-CG2 3.28Å; E402-V406 WeakPolarHBondContact O-CG2 3.13Å; E402-V406 PolarHBondContact O-N 3.04Å
403	R	69.2	Low	69.7	Low	158 Å²	158	95.5 Å²	95.5	60%	0.596	50%	0.496	S	S	*	.	H	α-helix	trans	-66.9	-39.1	173.1	-164.5	177.8	76.1	89.9	-0.1	111.4	A399 E400 S407	A399-R403 VanDerWaalsContact O-CB 3.28Å; A399-R403 WeakPolarHBondContact O-CB 3.36Å; A399-R403 PolarHBondContact O-N 2.76Å; E400-R403 PolarHBondContact O-N 3.17Å; E400-R403 IonicContact OE1-CZ 3.77Å; E400-R403 IonicContact OE1-NE 3.64Å; E400-R403 IonicContact OE1-NH2 3.53Å; E400-R403 PolarHBondContact OE1-NH2 2.63Å; E400-R403 IonicContact OE2-CZ 3.9Å; E400-R403 IonicContact OE2-NE 3.9Å; E400-R403 PolarHBondContact OE2-NE 3.3Å; E400-R403 IonicContact OE2-NH2 3.93Å; E400-R403 PolarHBondContact OE2-NH2 2.78Å; R403-S407 WeakPolarHBondContact O-CB 3.45Å; R403-S407 PolarHBondContact O-N 3.07Å
404	L	72.7	Confident	69.8	Low	91 Å²	91	95.5 Å²	95.5	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-69.6	-35.6	170.6	-87	162.1	0	0	0	112.2	E400 Q401 K408	E400-L404 VanDerWaalsContact O-CB 3.26Å; E400-L404 WeakPolarHBondContact O-CB 3.45Å; E400-L404 WeakPolarHBondContact O-CG 3.4Å; E400-L404 PolarHBondContact O-N 3.13Å; Q401-L404 CarbonylContact O-C 3.55Å; L404-K408 WeakPolarHBondContact O-CB 3.46Å; L404-K408 WeakPolarHBondContact O-CG 3.45Å; L404-K408 PolarHBondContact O-N 2.75Å
405	L	67.3	Low	69.5	Low	99 Å²	99	90 Å²	90	52%	0.518	47%	0.473	S	S	.	.	H	α-helix	trans	-69.2	-49.2	175.1	-97.1	164.7	0	0	0	110.6	Q401 E402 S407 K408 V409	Q401-L405 WeakPolarHBondContact O-CA 3.11Å; Q401-L405 WeakPolarHBondContact O-CB 3.31Å; Q401-L405 WeakPolarHBondContact O-CG 3.35Å; Q401-L405 PolarHBondContact O-N 3.49Å; E402-L405 PolarHBondContact O-N 2.94Å; L405-S407 VanDerWaalsContact C-N 3.31Å; L405-S407 PolarHBondContact O-N 2.87Å; L405-K408 CarbonylContact O-C 3.5Å; L405-K408 PolarHBondContact O-N 2.87Å; L405-K408 VanDerWaalsContact O-N 3.14Å; L405-V409 WeakPolarHBondContact O-CA 3.46Å; L405-V409 WeakPolarHBondContact O-CB 3.42Å; L405-V409 WeakPolarHBondContact O-CG2 3.37Å; L405-V409 PolarHBondContact O-N 2.62Å
406	V	70.1	Confident	69.4	Low	96 Å²	96	93.3 Å²	93.3	58%	0.582	48%	0.479	S	S	*	.	H	α-helix	trans	-60.9	-40.8	173.8	171.1	0	0	0	0	110.4	E402 V409 S410	E402-V406 VanDerWaalsContact O-CB 3.31Å; E402-V406 WeakPolarHBondContact O-CB 3.21Å; E402-V406 VanDerWaalsContact O-CG2 3.28Å; E402-V406 WeakPolarHBondContact O-CG2 3.13Å; E402-V406 PolarHBondContact O-N 3.04Å; V406-V409 PolarHBondContact O-N 3.29Å; V406-S410 VanDerWaalsContact O-CB 3.29Å; V406-S410 WeakPolarHBondContact O-CB 3.45Å; V406-S410 PolarHBondContact O-N 2.96Å; V406-S410 PolarHBondContact O-OG 3.3Å; V406-S410 VanDerWaalsContact O-OG 3.1Å
407	S	72.2	Confident	69.3	Low	63 Å²	63	91.6 Å²	91.6	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-66	-36.8	173.5	177.5	0	0	0	0	112.9	R403 L405 S410 E411	R403-S407 WeakPolarHBondContact O-CB 3.45Å; R403-S407 PolarHBondContact O-N 3.07Å; L405-S407 VanDerWaalsContact C-N 3.31Å; L405-S407 PolarHBondContact O-N 2.87Å; S407-S410 WeakPolarHBondContact CA-OG 3.36Å; S407-S410 PolarHBondContact O-OG 3.28Å; S407-E411 WeakPolarHBondContact O-CB 3.37Å; S407-E411 PolarHBondContact O-N 3.47Å
408	K	72	Confident	69.1	Low	123 Å²	123	92.2 Å²	92.2	54%	0.535	48%	0.476	S	S	.	.	H	α-helix	trans	-79.8	-26.7	176.5	-74	-67.6	179.7	-171.3	0	112.8	L404 L405 I412	L404-K408 WeakPolarHBondContact O-CB 3.46Å; L404-K408 WeakPolarHBondContact O-CG 3.45Å; L404-K408 PolarHBondContact O-N 2.75Å; L405-K408 CarbonylContact O-C 3.5Å; L405-K408 PolarHBondContact O-N 2.87Å; L405-K408 VanDerWaalsContact O-N 3.14Å; K408-I412 WeakPolarHBondContact O-CB 3.06Å; K408-I412 WeakPolarHBondContact O-CD1 3.35Å; K408-I412 WeakPolarHBondContact O-CG1 3.49Å; K408-I412 PolarHBondContact O-N 3.44Å
409	V	71.5	Confident	69	Low	70 Å²	70	94.9 Å²	94.9	42%	0.424	48%	0.483	S	S	.	.	H	α-helix	trans	-76.1	-39.1	172.1	166.6	0	0	0	0	109.5	L405 V406 I412 Q413	L405-V409 WeakPolarHBondContact O-CA 3.46Å; L405-V409 WeakPolarHBondContact O-CB 3.42Å; L405-V409 WeakPolarHBondContact O-CG2 3.37Å; L405-V409 PolarHBondContact O-N 2.62Å; V406-V409 PolarHBondContact O-N 3.29Å; V409-I412 PolarHBondContact O-N 3.06Å; V409-Q413 VanDerWaalsContact O-CB 3.27Å; V409-Q413 WeakPolarHBondContact O-CB 3.36Å; V409-Q413 VanDerWaalsContact O-CG 3.31Å; V409-Q413 WeakPolarHBondContact O-CG 2.82Å; V409-Q413 PolarHBondContact O-N 2.85Å
410	S	67.2	Low	69.1	Low	60 Å²	60	95.9 Å²	95.9	42%	0.42	48%	0.48	S	S	.	.	H	α-helix	trans	-69.4	-35.4	170.8	69.1	0	0	0	0	111.6	V406 S407 R414	V406-S410 VanDerWaalsContact O-CB 3.29Å; V406-S410 WeakPolarHBondContact O-CB 3.45Å; V406-S410 PolarHBondContact O-N 2.96Å; V406-S410 PolarHBondContact O-OG 3.3Å; V406-S410 VanDerWaalsContact O-OG 3.1Å; S407-S410 WeakPolarHBondContact CA-OG 3.36Å; S407-S410 PolarHBondContact O-OG 3.28Å; S410-R414 WeakPolarHBondContact O-CB 3.28Å; S410-R414 PolarHBondContact O-N 2.95Å
411	E	70.7	Confident	69	Low	69 Å²	69	98.1 Å²	98.1	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-70.9	-36.6	172.3	-177.6	64.3	-178.5	0	0	111.8	S407 R414 L415	S407-E411 WeakPolarHBondContact O-CB 3.37Å; S407-E411 PolarHBondContact O-N 3.47Å; E411-R414 PolarHBondContact O-N 2.88Å; E411-R414 IonicContact OE1-CZ 2.73Å; E411-R414 IonicContact OE1-NE 3.53Å; E411-R414 IonicContact OE1-NH2 3.07Å; E411-R414 PolarHBondContact OE1-NH2 3.44Å; E411-R414 IonicContact OE2-CZ 2.76Å; E411-R414 IonicContact OE2-NE 3.17Å; E411-R414 PolarHBondContact OE2-NE 2.94Å; E411-R414 IonicContact OE2-NH2 3.67Å; E411-L415 HydrophobicContact CG-CD1 4.24Å; E411-L415 VanDerWaalsContact O-CB 3.29Å; E411-L415 WeakPolarHBondContact O-CB 3.5Å; E411-L415 VanDerWaalsContact O-CG 3.24Å; E411-L415 WeakPolarHBondContact O-CG 3.42Å; E411-L415 PolarHBondContact O-N 3.29Å
412	I	67.5	Low	68.5	Low	103 Å²	103	96.5 Å²	96.5	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-68.1	-40.4	172	-76.9	163.3	0	0	0	110.4	K408 V409 L415 H416	K408-I412 WeakPolarHBondContact O-CB 3.06Å; K408-I412 WeakPolarHBondContact O-CD1 3.35Å; K408-I412 WeakPolarHBondContact O-CG1 3.49Å; K408-I412 PolarHBondContact O-N 3.44Å; V409-I412 PolarHBondContact O-N 3.06Å; I412-L415 CarbonylContact O-C 3.48Å; I412-L415 PolarHBondContact O-N 2.72Å; I412-H416 VanDerWaalsContact O-CB 3.31Å; I412-H416 WeakPolarHBondContact O-CB 3.5Å; I412-H416 PolarHBondContact O-N 2.87Å
413	Q	66.9	Low	68.6	Low	125 Å²	125	99.1 Å²	99.1	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-68.2	-36.7	173.4	-79.3	-178.5	-51.2	0	0	111.5	V409 H416 T417	V409-Q413 VanDerWaalsContact O-CB 3.27Å; V409-Q413 WeakPolarHBondContact O-CB 3.36Å; V409-Q413 VanDerWaalsContact O-CG 3.31Å; V409-Q413 WeakPolarHBondContact O-CG 2.82Å; V409-Q413 PolarHBondContact O-N 2.85Å; Q413-H416 PolarHBondContact O-N 3.2Å; Q413-T417 PolarHBondContact O-N 3.24Å; Q413-T417 PolarHBondContact O-OG1 3Å
414	R	71.5	Confident	68.4	Low	97 Å²	97	94.6 Å²	94.6	37%	0.366	48%	0.481	S	S	.	.	H	α-helix	trans	-60.9	-51.6	171.3	-167.8	-169.1	68	66.2	6.2	109.3	S410 E411 H416 T417 E418	S410-R414 WeakPolarHBondContact O-CB 3.28Å; S410-R414 PolarHBondContact O-N 2.95Å; E411-R414 PolarHBondContact O-N 2.88Å; E411-R414 IonicContact OE1-CZ 2.73Å; E411-R414 IonicContact OE1-NE 3.53Å; E411-R414 IonicContact OE1-NH2 3.07Å; E411-R414 PolarHBondContact OE1-NH2 3.44Å; E411-R414 IonicContact OE2-CZ 2.76Å; E411-R414 IonicContact OE2-NE 3.17Å; E411-R414 PolarHBondContact OE2-NE 2.94Å; E411-R414 IonicContact OE2-NH2 3.67Å; R414-H416 VanDerWaalsContact C-N 3.27Å; R414-H416 PolarHBondContact O-N 2.85Å; R414-T417 CarbonylContact O-C 3.58Å; R414-T417 PolarHBondContact O-N 2.96Å; R414-T417 PolarHBondContact O-OG1 2.81Å; R414-E418 IonicContact CZ-OE2 3.59Å; R414-E418 IonicContact NH1-OE1 2.87Å; R414-E418 PolarHBondContact NH1-OE1 3.08Å; R414-E418 VanDerWaalsContact NH1-OE1 3.14Å; R414-E418 IonicContact NH1-OE2 3.02Å; R414-E418 PolarHBondContact NH1-OE2 2.74Å; R414-E418 IonicContact NH2-OE2 3.61Å; R414-E418 WeakPolarHBondContact O-CB 3.29Å; R414-E418 PolarHBondContact O-N 3.07Å
415	L	65.7	Low	68.1	Low	75 Å²	75	94.5 Å²	94.5	39%	0.393	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-26.8	174.4	-71.4	167.6	0	0	0	113.2	E411 I412 L419	E411-L415 HydrophobicContact CG-CD1 4.24Å; E411-L415 VanDerWaalsContact O-CB 3.29Å; E411-L415 WeakPolarHBondContact O-CB 3.5Å; E411-L415 VanDerWaalsContact O-CG 3.24Å; E411-L415 WeakPolarHBondContact O-CG 3.42Å; E411-L415 PolarHBondContact O-N 3.29Å; I412-L415 CarbonylContact O-C 3.48Å; I412-L415 PolarHBondContact O-N 2.72Å; L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 VanDerWaalsContact O-CG 3.23Å; L415-L419 WeakPolarHBondContact O-CG 3.49Å; L415-L419 PolarHBondContact O-N 3.34Å
416	H	68.3	Low	68	Low	109 Å²	109	95 Å²	95	51%	0.505	48%	0.48	S	S	.	.	H	α-helix	trans	-76.3	-44.7	173.7	-133.1	93.9	0	0	0	110.7	I412 Q413 R414 E418 L419 D420	I412-H416 VanDerWaalsContact O-CB 3.31Å; I412-H416 WeakPolarHBondContact O-CB 3.5Å; I412-H416 PolarHBondContact O-N 2.87Å; Q413-H416 PolarHBondContact O-N 3.2Å; R414-H416 VanDerWaalsContact C-N 3.27Å; R414-H416 PolarHBondContact O-N 2.85Å; H416-E418 VanDerWaalsContact C-N 3.26Å; H416-E418 PolarHBondContact O-N 3.12Å; H416-L419 CarbonylContact O-C 3.47Å; H416-L419 PolarHBondContact O-N 2.91Å; H416-D420 IonicContact CD2-OD2 3.88Å; H416-D420 VanDerWaalsContact O-CB 3.26Å; H416-D420 WeakPolarHBondContact O-CB 3.16Å; H416-D420 PolarHBondContact O-N 2.96Å
417	T	68.4	Low	67.9	Low	94 Å²	94	94 Å²	94	58%	0.577	48%	0.475	S	S	*	.	H	α-helix	trans	-67.7	-26.8	172	52.2	0	0	0	0	112.4	Q413 R414 K421	Q413-T417 PolarHBondContact O-N 3.24Å; Q413-T417 PolarHBondContact O-OG1 3Å; R414-T417 CarbonylContact O-C 3.58Å; R414-T417 PolarHBondContact O-N 2.96Å; R414-T417 PolarHBondContact O-OG1 2.81Å; T417-K421 WeakPolarHBondContact O-CA 3.49Å; T417-K421 WeakPolarHBondContact O-CB 3.4Å; T417-K421 PolarHBondContact O-N 2.77Å
418	E	67.3	Low	67.7	Low	85 Å²	85	96.2 Å²	96.2	40%	0.397	48%	0.481	S	S	.	.	H	α-helix	trans	-77.9	-35.9	173	-166.5	160.6	-107.2	0	0	110.8	R414 H416 L422	R414-E418 IonicContact CZ-OE2 3.59Å; R414-E418 IonicContact NH1-OE1 2.87Å; R414-E418 PolarHBondContact NH1-OE1 3.08Å; R414-E418 VanDerWaalsContact NH1-OE1 3.14Å; R414-E418 IonicContact NH1-OE2 3.02Å; R414-E418 PolarHBondContact NH1-OE2 2.74Å; R414-E418 IonicContact NH2-OE2 3.61Å; R414-E418 WeakPolarHBondContact O-CB 3.29Å; R414-E418 PolarHBondContact O-N 3.07Å; H416-E418 VanDerWaalsContact C-N 3.26Å; H416-E418 PolarHBondContact O-N 3.12Å; E418-L422 VanDerWaalsContact O-CB 3.27Å; E418-L422 WeakPolarHBondContact O-CB 3.43Å; E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.41Å
419	L	65.1	Low	67.5	Low	95 Å²	95	95 Å²	95	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-70.2	-35.5	168.5	-83.5	169.9	0	0	0	113	L415 H416 L422 R423	L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 VanDerWaalsContact O-CG 3.23Å; L415-L419 WeakPolarHBondContact O-CG 3.49Å; L415-L419 PolarHBondContact O-N 3.34Å; H416-L419 CarbonylContact O-C 3.47Å; H416-L419 PolarHBondContact O-N 2.91Å; L419-L422 CarbonylContact O-C 3.58Å; L419-L422 PolarHBondContact O-N 2.83Å; L419-R423 VanDerWaalsContact O-CB 3.28Å; L419-R423 WeakPolarHBondContact O-CB 3.48Å; L419-R423 WeakPolarHBondContact O-CG 3.39Å; L419-R423 PolarHBondContact O-N 2.91Å
420	D	67.1	Low	67.2	Low	81 Å²	81	98.2 Å²	98.2	43%	0.433	49%	0.493	S	S	.	.	H	α-helix	trans	-77.2	-29.4	175.4	-77.2	-29.2	0	0	0	110.8	H416 S424	H416-D420 IonicContact CD2-OD2 3.88Å; H416-D420 VanDerWaalsContact O-CB 3.26Å; H416-D420 WeakPolarHBondContact O-CB 3.16Å; H416-D420 PolarHBondContact O-N 2.96Å; D420-S424 WeakPolarHBondContact O-CA 3.37Å; D420-S424 WeakPolarHBondContact O-CB 3.35Å; D420-S424 PolarHBondContact O-N 2.97Å
421	K	68.2	Low	67.1	Low	132 Å²	132	100 Å²	100	57%	0.574	50%	0.497	S	S	*	.	H	α-helix	trans	-70.7	-40.5	166.5	-171	-177.4	-179.8	-155.1	0	111.1	T417 S424 E425	T417-K421 WeakPolarHBondContact O-CA 3.49Å; T417-K421 WeakPolarHBondContact O-CB 3.4Å; T417-K421 PolarHBondContact O-N 2.77Å; K421-S424 CarbonylContact O-C 3.57Å; K421-S424 WeakPolarHBondContact O-CB 3.44Å; K421-S424 PolarHBondContact O-N 2.98Å; K421-E425 WeakPolarHBondContact CE-OE1 3.37Å; K421-E425 IonicContact NZ-OE1 3Å; K421-E425 VanDerWaalsContact O-CB 3.27Å; K421-E425 WeakPolarHBondContact O-CB 3.34Å; K421-E425 VanDerWaalsContact O-CG 3.31Å; K421-E425 WeakPolarHBondContact O-CG 3.25Å; K421-E425 PolarHBondContact O-N 2.79Å
422	L	64	Low	67	Low	86 Å²	86	104.3 Å²	104.3	45%	0.45	51%	0.511	S	S	.	.	H	α-helix	trans	-67.9	-33.4	171.8	-77.4	165.9	0	0	0	112.1	E418 L419 I426	E418-L422 VanDerWaalsContact O-CB 3.27Å; E418-L422 WeakPolarHBondContact O-CB 3.43Å; E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.41Å; L419-L422 CarbonylContact O-C 3.58Å; L419-L422 PolarHBondContact O-N 2.83Å; L422-I426 WeakPolarHBondContact O-CB 3.35Å; L422-I426 WeakPolarHBondContact O-CD1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.39Å; L422-I426 PolarHBondContact O-N 2.91Å
423	R	67	Low	66.7	Low	170 Å²	170	104 Å²	104	64%	0.642	51%	0.51	S	S	*	.	H	α-helix	trans	-70.9	-40.6	171.2	-78.7	167.1	171.6	-107.6	-1.9	111.1	L419 I426 T427	L419-R423 VanDerWaalsContact O-CB 3.28Å; L419-R423 WeakPolarHBondContact O-CB 3.48Å; L419-R423 WeakPolarHBondContact O-CG 3.39Å; L419-R423 PolarHBondContact O-N 2.91Å; R423-I426 CarbonylContact O-C 3.46Å; R423-I426 PolarHBondContact O-N 2.84Å; R423-T427 PolarHBondContact O-N 3.43Å; R423-T427 PolarHBondContact O-OG1 2.9Å
424	S	65.4	Low	66.7	Low	63 Å²	63	101.8 Å²	101.8	44%	0.441	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-51.7	173.2	-179.9	0	0	0	0	109.7	D420 K421 I426 T427 N428	D420-S424 WeakPolarHBondContact O-CA 3.37Å; D420-S424 WeakPolarHBondContact O-CB 3.35Å; D420-S424 PolarHBondContact O-N 2.97Å; K421-S424 CarbonylContact O-C 3.57Å; K421-S424 WeakPolarHBondContact O-CB 3.44Å; K421-S424 PolarHBondContact O-N 2.98Å; S424-I426 PolarHBondContact O-N 3.49Å; S424-T427 WeakPolarHBondContact CA-OG1 3.26Å; S424-T427 CarbonylContact O-C 3.59Å; S424-T427 PolarHBondContact O-N 2.94Å; S424-T427 VanDerWaalsContact O-N 3.1Å; S424-T427 PolarHBondContact O-OG1 3.36Å; S424-N428 VanDerWaalsContact O-CB 3.32Å; S424-N428 WeakPolarHBondContact O-CB 3.49Å; S424-N428 PolarHBondContact O-N 2.93Å
425	E	67.4	Low	66.5	Low	89 Å²	89	101.8 Å²	101.8	42%	0.416	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-40.2	173.3	-75.1	172.6	-170.4	0	0	111.6	K421 N428 V429	K421-E425 WeakPolarHBondContact CE-OE1 3.37Å; K421-E425 IonicContact NZ-OE1 3Å; K421-E425 VanDerWaalsContact O-CB 3.27Å; K421-E425 WeakPolarHBondContact O-CB 3.34Å; K421-E425 VanDerWaalsContact O-CG 3.31Å; K421-E425 WeakPolarHBondContact O-CG 3.25Å; K421-E425 PolarHBondContact O-N 2.79Å; E425-N428 PolarHBondContact O-N 2.84Å; E425-V429 WeakPolarHBondContact O-CA 3.47Å; E425-V429 WeakPolarHBondContact O-CB 3.49Å; E425-V429 WeakPolarHBondContact O-CG2 3.38Å; E425-V429 PolarHBondContact O-N 2.75Å
426	I	64.1	Low	66.3	Low	110 Å²	110	102.3 Å²	102.3	56%	0.564	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-40.7	172	-77.3	164.6	0	0	0	111.2	L422 R423 S424 K430	L422-I426 WeakPolarHBondContact O-CB 3.35Å; L422-I426 WeakPolarHBondContact O-CD1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.39Å; L422-I426 PolarHBondContact O-N 2.91Å; R423-I426 CarbonylContact O-C 3.46Å; R423-I426 PolarHBondContact O-N 2.84Å; S424-I426 PolarHBondContact O-N 3.49Å; I426-K430 WeakPolarHBondContact O-CA 3.34Å; I426-K430 WeakPolarHBondContact O-CB 3.38Å; I426-K430 PolarHBondContact O-N 3.15Å
427	T	67.7	Low	66.1	Low	75 Å²	75	101 Å²	101	46%	0.46	51%	0.512	S	S	.	.	H	α-helix	trans	-72.8	-31.8	174.9	46.6	0	0	0	0	112.8	R423 S424 K430 N431	R423-T427 PolarHBondContact O-N 3.43Å; R423-T427 PolarHBondContact O-OG1 2.9Å; S424-T427 WeakPolarHBondContact CA-OG1 3.26Å; S424-T427 CarbonylContact O-C 3.59Å; S424-T427 PolarHBondContact O-N 2.94Å; S424-T427 VanDerWaalsContact O-N 3.1Å; S424-T427 PolarHBondContact O-OG1 3.36Å; T427-K430 PolarHBondContact O-N 3.34Å; T427-N431 WeakPolarHBondContact O-CB 3.49Å; T427-N431 PolarHBondContact O-N 3.29Å; T427-N431 PolarHBondContact O-OD1 3.33Å
428	N	68.9	Low	65.8	Low	109 Å²	109	103.7 Å²	103.7	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-76.7	-41.7	178.4	-132.9	-4.1	0	0	0	110.1	S424 E425 K430 N431 R432	S424-N428 VanDerWaalsContact O-CB 3.32Å; S424-N428 WeakPolarHBondContact O-CB 3.49Å; S424-N428 PolarHBondContact O-N 2.93Å; E425-N428 PolarHBondContact O-N 2.84Å; N428-K430 VanDerWaalsContact C-N 3.34Å; N428-N431 PolarHBondContact O-N 3Å; N428-R432 WeakPolarHBondContact O-CB 3.44Å; N428-R432 PolarHBondContact O-N 3.03Å
429	V	67.4	Low	65.4	Low	99 Å²	99	104.6 Å²	104.6	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-66.3	-34.6	169.7	172.3	0	0	0	0	110.6	E425 R432 N433	E425-V429 WeakPolarHBondContact O-CA 3.47Å; E425-V429 WeakPolarHBondContact O-CB 3.49Å; E425-V429 WeakPolarHBondContact O-CG2 3.38Å; E425-V429 PolarHBondContact O-N 2.75Å; V429-R432 CarbonylContact O-C 3.6Å; V429-N433 WeakPolarHBondContact O-CA 3.33Å; V429-N433 WeakPolarHBondContact O-CB 3.49Å; V429-N433 PolarHBondContact O-N 2.72Å
430	K	65.5	Low	65	Low	136 Å²	136	105.1 Å²	105.1	59%	0.591	52%	0.521	S	S	*	.	H	α-helix	trans	-74	-37.1	174.5	-173.1	176.8	-178.1	-176.8	0	112.8	I426 T427 N428 R432 N433 T434	I426-K430 WeakPolarHBondContact O-CA 3.34Å; I426-K430 WeakPolarHBondContact O-CB 3.38Å; I426-K430 PolarHBondContact O-N 3.15Å; T427-K430 PolarHBondContact O-N 3.34Å; N428-K430 VanDerWaalsContact C-N 3.34Å; K430-R432 VanDerWaalsContact C-N 3.34Å; K430-N433 CarbonylContact O-C 3.5Å; K430-N433 WeakPolarHBondContact O-CB 3.25Å; K430-N433 PolarHBondContact O-N 2.78Å; K430-T434 PolarHBondContact O-N 3.4Å; K430-T434 PolarHBondContact O-OG1 3.47Å
431	N	64.2	Low	64.6	Low	98 Å²	98	105.9 Å²	105.9	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-70.3	-33.7	172.1	-71.5	-1.2	0	0	0	111.1	T427 N428 N433 T434 Q435	T427-N431 WeakPolarHBondContact O-CB 3.49Å; T427-N431 PolarHBondContact O-N 3.29Å; T427-N431 PolarHBondContact O-OD1 3.33Å; N428-N431 PolarHBondContact O-N 3Å; N431-N433 VanDerWaalsContact C-N 3.34Å; N431-T434 WeakPolarHBondContact CA-OG1 3.36Å; N431-T434 PolarHBondContact O-N 2.69Å; N431-T434 PolarHBondContact O-OG1 3Å; N431-Q435 VanDerWaalsContact O-CB 3.31Å; N431-Q435 WeakPolarHBondContact O-CB 3.49Å; N431-Q435 PolarHBondContact O-N 3Å
432	R	68.6	Low	64.4	Low	159 Å²	159	105 Å²	105	60%	0.6	52%	0.523	S	S	*	.	H	α-helix	trans	-74.6	-25.3	170.4	-163.1	174.3	-167	82.6	-0.5	111.7	N428 V429 K430 I436	N428-R432 WeakPolarHBondContact O-CB 3.44Å; N428-R432 PolarHBondContact O-N 3.03Å; V429-R432 CarbonylContact O-C 3.6Å; K430-R432 VanDerWaalsContact C-N 3.34Å; R432-I436 HydrophobicContact CG-CD1 3.88Å; R432-I436 HydrophobicContact CG-CG1 4.32Å; R432-I436 WeakPolarHBondContact O-CB 3.38Å; R432-I436 WeakPolarHBondContact O-CD1 3.47Å; R432-I436 WeakPolarHBondContact O-CG1 3.25Å; R432-I436 PolarHBondContact O-N 2.95Å
433	N	61.8	Low	63.9	Low	96 Å²	96	104 Å²	104	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-73.3	-41	169.9	-169	46.3	0	0	0	110.2	V429 K430 N431 V437	V429-N433 WeakPolarHBondContact O-CA 3.33Å; V429-N433 WeakPolarHBondContact O-CB 3.49Å; V429-N433 PolarHBondContact O-N 2.72Å; K430-N433 CarbonylContact O-C 3.5Å; K430-N433 WeakPolarHBondContact O-CB 3.25Å; K430-N433 PolarHBondContact O-N 2.78Å; N431-N433 VanDerWaalsContact C-N 3.34Å; N433-V437 WeakPolarHBondContact O-CB 3.48Å; N433-V437 WeakPolarHBondContact O-CG2 3.49Å; N433-V437 PolarHBondContact O-N 2.91Å
434	T	66.5	Low	63.5	Low	80 Å²	80	100.5 Å²	100.5	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-65.6	-43.4	170.1	50.5	0	0	0	0	111.3	K430 N431 V437 E438	K430-T434 PolarHBondContact O-N 3.4Å; K430-T434 PolarHBondContact O-OG1 3.47Å; N431-T434 WeakPolarHBondContact CA-OG1 3.36Å; N431-T434 PolarHBondContact O-N 2.69Å; N431-T434 PolarHBondContact O-OG1 3Å; T434-V437 PolarHBondContact O-N 3.21Å; T434-E438 WeakPolarHBondContact O-CB 3.39Å; T434-E438 PolarHBondContact O-N 3.28Å
435	Q	67.2	Low	63.3	Low	96 Å²	96	103.9 Å²	103.9	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-65.7	-41.9	177.6	-173.2	-179.9	-7	0	0	112.2	N431 E438 E439	N431-Q435 VanDerWaalsContact O-CB 3.31Å; N431-Q435 WeakPolarHBondContact O-CB 3.49Å; N431-Q435 PolarHBondContact O-N 3Å; Q435-E438 PolarHBondContact O-N 3.48Å; Q435-E439 HydrophobicContact CG-CG 4.36Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.37Å; Q435-E439 PolarHBondContact NE2-OE1 2.86Å; Q435-E439 VanDerWaalsContact O-CB 3.25Å; Q435-E439 WeakPolarHBondContact O-CB 3.43Å; Q435-E439 VanDerWaalsContact O-CG 3.29Å; Q435-E439 WeakPolarHBondContact O-CG 3.32Å; Q435-E439 PolarHBondContact O-N 3.47Å
436	I	62	Low	62.7	Low	86 Å²	86	103.6 Å²	103.6	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-69.8	-34.7	175.2	-71.1	169	0	0	0	110.9	R432 H440	R432-I436 HydrophobicContact CG-CD1 3.88Å; R432-I436 HydrophobicContact CG-CG1 4.32Å; R432-I436 WeakPolarHBondContact O-CB 3.38Å; R432-I436 WeakPolarHBondContact O-CD1 3.47Å; R432-I436 WeakPolarHBondContact O-CG1 3.25Å; R432-I436 PolarHBondContact O-N 2.95Å; I436-H440 WeakPolarHBondContact O-CA 3.49Å; I436-H440 WeakPolarHBondContact O-CB 3.41Å; I436-H440 PolarHBondContact O-N 3.12Å
437	V	65	Low	61.7	Low	83 Å²	83	103.9 Å²	103.9	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-67.7	-37.4	172.4	166.1	0	0	0	0	111.1	N433 T434 H440 D441	N433-V437 WeakPolarHBondContact O-CB 3.48Å; N433-V437 WeakPolarHBondContact O-CG2 3.49Å; N433-V437 PolarHBondContact O-N 2.91Å; T434-V437 PolarHBondContact O-N 3.21Å; V437-H440 CarbonylContact O-C 3.46Å; V437-H440 PolarHBondContact O-N 3.34Å; V437-D441 WeakPolarHBondContact O-CB 3.28Å; V437-D441 PolarHBondContact O-N 3.16Å
438	E	62.2	Low	61	Low	149 Å²	149	102.4 Å²	102.4	70%	0.696	53%	0.527	S	S	*	.	H	α-helix	trans	-74.6	-41.2	179	-167.2	163	-138.1	0	0	111.7	T434 Q435 H440 D441 Q442	T434-E438 WeakPolarHBondContact O-CB 3.39Å; T434-E438 PolarHBondContact O-N 3.28Å; Q435-E438 PolarHBondContact O-N 3.48Å; E438-H440 VanDerWaalsContact C-N 3.35Å; E438-D441 PolarHBondContact O-N 3.29Å; E438-Q442 WeakPolarHBondContact O-CB 3.39Å; E438-Q442 PolarHBondContact O-N 2.69Å; E438-Q442 VanDerWaalsContact O-N 3.11Å
439	E	58.6	Low	60.4	Low	104 Å²	104	101.5 Å²	101.5	49%	0.486	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-38.1	168.1	-75	173.7	-169.1	0	0	111.5	Q435 Q442 T443	Q435-E439 HydrophobicContact CG-CG 4.36Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.37Å; Q435-E439 PolarHBondContact NE2-OE1 2.86Å; Q435-E439 VanDerWaalsContact O-CB 3.25Å; Q435-E439 WeakPolarHBondContact O-CB 3.43Å; Q435-E439 VanDerWaalsContact O-CG 3.29Å; Q435-E439 WeakPolarHBondContact O-CG 3.32Å; Q435-E439 PolarHBondContact O-N 3.47Å; E439-Q442 CarbonylContact O-C 3.55Å; E439-Q442 WeakPolarHBondContact O-CA 3.36Å; E439-Q442 WeakPolarHBondContact O-CB 3.49Å; E439-Q442 PolarHBondContact O-N 2.96Å; E439-T443 PolarHBondContact O-N 3.38Å
440	H	56.9	Low	59.9	Low	106 Å²	106	97.9 Å²	97.9	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-82.7	-21.1	178.9	-159.1	-55.1	0	0	0	113.2	I436 V437 E438 T443 L444	I436-H440 WeakPolarHBondContact O-CA 3.49Å; I436-H440 WeakPolarHBondContact O-CB 3.41Å; I436-H440 PolarHBondContact O-N 3.12Å; V437-H440 CarbonylContact O-C 3.46Å; V437-H440 PolarHBondContact O-N 3.34Å; E438-H440 VanDerWaalsContact C-N 3.35Å; H440-T443 WeakPolarHBondContact CA-OG1 3.29Å; H440-T443 PolarHBondContact ND1-OG1 3.05Å; H440-T443 PolarHBondContact O-N 3.12Å; H440-T443 PolarHBondContact O-OG1 2.63Å; H440-L444 WeakPolarHBondContact O-CB 3.23Å; H440-L444 WeakPolarHBondContact O-CD1 3.27Å; H440-L444 WeakPolarHBondContact O-CG 3.35Å; H440-L444 PolarHBondContact O-N 3.45Å
441	D	58.5	Low	59.1	Low	97 Å²	97	97 Å²	97	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-69.2	-30.6	163.3	-117.3	12.5	0	0	0	110.1	V437 E438 L444 K445	V437-D441 WeakPolarHBondContact O-CB 3.28Å; V437-D441 PolarHBondContact O-N 3.16Å; E438-D441 PolarHBondContact O-N 3.29Å; D441-L444 PolarHBondContact O-N 3.05Å; D441-K445 PolarHBondContact O-N 2.8Å
442	Q	64.3	Low	58.5	Low	113 Å²	113	99.2 Å²	99.2	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-76	-32.7	173.3	-160.3	70.8	-9.9	0	0	113.2	E438 E439 S446	E438-Q442 WeakPolarHBondContact O-CB 3.39Å; E438-Q442 PolarHBondContact O-N 2.69Å; E438-Q442 VanDerWaalsContact O-N 3.11Å; E439-Q442 CarbonylContact O-C 3.55Å; E439-Q442 WeakPolarHBondContact O-CA 3.36Å; E439-Q442 WeakPolarHBondContact O-CB 3.49Å; E439-Q442 PolarHBondContact O-N 2.96Å; Q442-S446 PolarHBondContact O-N 2.99Å; Q442-S446 PolarHBondContact O-OG 2.91Å; Q442-S446 VanDerWaalsContact O-OG 3.09Å
443	T	53.5	Low	57.9	Low	67 Å²	67	95.9 Å²	95.9	41%	0.411	50%	0.503	S	S	.	.	H	α-helix	trans	-78.6	-26.1	167	67.6	0	0	0	0	112.6	E439 H440 K445 S446 L447	E439-T443 PolarHBondContact O-N 3.38Å; H440-T443 WeakPolarHBondContact CA-OG1 3.29Å; H440-T443 PolarHBondContact ND1-OG1 3.05Å; H440-T443 PolarHBondContact O-N 3.12Å; H440-T443 PolarHBondContact O-OG1 2.63Å; T443-K445 VanDerWaalsContact C-N 3.3Å; T443-S446 PolarHBondContact O-N 2.8Å; T443-L447 WeakPolarHBondContact O-CA 3.45Å; T443-L447 WeakPolarHBondContact O-CB 3.27Å; T443-L447 PolarHBondContact O-N 3.07Å
444	L	57.8	Low	57.1	Low	95 Å²	95	96.1 Å²	96.1	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-36.3	166.9	-82.3	162.5	0	0	0	110.4	H440 D441 A448	H440-L444 WeakPolarHBondContact O-CB 3.23Å; H440-L444 WeakPolarHBondContact O-CD1 3.27Å; H440-L444 WeakPolarHBondContact O-CG 3.35Å; H440-L444 PolarHBondContact O-N 3.45Å; D441-L444 PolarHBondContact O-N 3.05Å; L444-A448 WeakPolarHBondContact O-CA 3.46Å; L444-A448 WeakPolarHBondContact O-CB 3.42Å; L444-A448 PolarHBondContact O-N 2.76Å
445	K	60.7	Low	56.4	Low	134 Å²	134	96.6 Å²	96.6	58%	0.583	50%	0.498	S	S	*	.	H	α-helix	trans	-63.3	-60.6	167.6	-89.2	164.7	179.6	148.7	0	111.9	D441 T443 L447 A448 D449	D441-K445 PolarHBondContact O-N 2.8Å; T443-K445 VanDerWaalsContact C-N 3.3Å; K445-L447 VanDerWaalsContact C-N 3.27Å; K445-L447 PolarHBondContact O-N 2.93Å; K445-A448 PolarHBondContact O-N 2.82Å; K445-A448 VanDerWaalsContact O-N 3.16Å; K445-D449 PolarHBondContact O-N 2.86Å; K445-D449 VanDerWaalsContact O-N 3.15Å
446	S	54.7	Low	55.7	Low	83 Å²	83	95 Å²	95	58%	0.58	50%	0.498	S	S	*	.	H	α-helix	trans	-60.6	-34.2	-175.7	-57.3	0	0	0	0	113.4	Q442 T443 A450	Q442-S446 PolarHBondContact O-N 2.99Å; Q442-S446 PolarHBondContact O-OG 2.91Å; Q442-S446 VanDerWaalsContact O-OG 3.09Å; T443-S446 PolarHBondContact O-N 2.8Å; S446-A450 PolarHBondContact O-N 3.3Å; S446-A450 VanDerWaalsContact O-N 3.1Å
447	L	44.8	Very low	54.8	Low	116 Å²	116	95.5 Å²	95.5	61%	0.607	50%	0.501	S	S	*	.	H	α-helix	trans	-93.2	-14.6	178.1	-150.5	85.2	0	0	0	113.2	T443 K445 D449 A450 Q451	T443-L447 WeakPolarHBondContact O-CA 3.45Å; T443-L447 WeakPolarHBondContact O-CB 3.27Å; T443-L447 PolarHBondContact O-N 3.07Å; K445-L447 VanDerWaalsContact C-N 3.27Å; K445-L447 PolarHBondContact O-N 2.93Å; L447-D449 VanDerWaalsContact C-N 3.28Å; L447-A450 HydrophobicContact CD1-CB 3.68Å; L447-A450 HydrophobicContact CG-CB 4.03Å; L447-A450 CarbonylContact O-C 3.56Å; L447-A450 PolarHBondContact O-N 3.41Å; L447-Q451 WeakPolarHBondContact O-CA 3.19Å; L447-Q451 WeakPolarHBondContact O-CB 3.5Å; L447-Q451 PolarHBondContact O-N 3.06Å
448	A	52.9	Low	54	Low	44 Å²	44	96.3 Å²	96.3	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-68	-34.3	162.1	0	0	0	0	0	110.5	L444 K445 Q451 K452	L444-A448 WeakPolarHBondContact O-CA 3.46Å; L444-A448 WeakPolarHBondContact O-CB 3.42Å; L444-A448 PolarHBondContact O-N 2.76Å; K445-A448 PolarHBondContact O-N 2.82Å; K445-A448 VanDerWaalsContact O-N 3.16Å; A448-Q451 CarbonylContact O-C 3.57Å; A448-Q451 PolarHBondContact O-N 2.82Å; A448-K452 PolarHBondContact O-N 2.97Å; A448-K452 VanDerWaalsContact O-N 3.12Å
449	D	55.3	Low	53.2	Low	90 Å²	90	94.4 Å²	94.4	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-71.2	-40.6	169.9	-73	-35.3	0	0	0	111.6	K445 L447 Q451 K452 T453	K445-D449 PolarHBondContact O-N 2.86Å; K445-D449 VanDerWaalsContact O-N 3.15Å; L447-D449 VanDerWaalsContact C-N 3.28Å; D449-Q451 PolarHBondContact O-N 3.33Å; D449-K452 WeakPolarHBondContact O-CA 3.29Å; D449-K452 WeakPolarHBondContact O-CB 3.26Å; D449-K452 PolarHBondContact O-N 2.8Å; D449-K452 IonicContact OD1-NZ 2.81Å; D449-K452 PolarHBondContact OD1-NZ 2.99Å; D449-T453 PolarHBondContact O-N 2.6Å; D449-T453 VanDerWaalsContact O-N 3.09Å; D449-T453 PolarHBondContact O-OG1 2.88Å; D449-T453 VanDerWaalsContact O-OG1 3.07Å
450	A	56.3	Low	52.5	Low	24 Å²	24	95.8 Å²	95.8	20%	0.198	51%	0.508	C	S	.	.	H	α-helix	trans	-64.8	-23.9	167.6	0	0	0	0	0	113.1	S446 L447 K452 T453 I454	S446-A450 PolarHBondContact O-N 3.3Å; S446-A450 VanDerWaalsContact O-N 3.1Å; L447-A450 HydrophobicContact CD1-CB 3.68Å; L447-A450 HydrophobicContact CG-CB 4.03Å; L447-A450 CarbonylContact O-C 3.56Å; L447-A450 PolarHBondContact O-N 3.41Å; A450-K452 PolarHBondContact O-N 3.42Å; A450-T453 PolarHBondContact O-N 3.48Å; A450-I454 WeakPolarHBondContact O-CA 3.33Å; A450-I454 WeakPolarHBondContact O-CB 3.46Å; A450-I454 WeakPolarHBondContact O-CG1 3.39Å; A450-I454 PolarHBondContact O-N 3.08Å
451	Q	48.8	Very low	52.9	Low	118 Å²	118	96.5 Å²	96.5	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-80.7	-3.8	171.7	-167.9	174.7	11	0	0	111.6	L447 A448 D449 K455	L447-Q451 WeakPolarHBondContact O-CA 3.19Å; L447-Q451 WeakPolarHBondContact O-CB 3.5Å; L447-Q451 PolarHBondContact O-N 3.06Å; A448-Q451 CarbonylContact O-C 3.57Å; A448-Q451 PolarHBondContact O-N 2.82Å; D449-Q451 PolarHBondContact O-N 3.33Å; Q451-K455 HydrophobicContact CG-CD 4.26Å; Q451-K455 HydrophobicContact CG-CG 4.25Å; Q451-K455 WeakPolarHBondContact O-CB 3.32Å; Q451-K455 WeakPolarHBondContact O-CG 3.48Å
452	K	53	Low	52.2	Low	143 Å²	143	95.1 Å²	95.1	62%	0.622	52%	0.516	S	S	*	.	H	α-helix	trans	-87.9	-52.4	157.7	-65.5	169.5	-169.6	147.8	0	110.6	A448 D449 A450 I454 K455 S456	A448-K452 PolarHBondContact O-N 2.97Å; A448-K452 VanDerWaalsContact O-N 3.12Å; D449-K452 WeakPolarHBondContact O-CA 3.29Å; D449-K452 WeakPolarHBondContact O-CB 3.26Å; D449-K452 PolarHBondContact O-N 2.8Å; D449-K452 IonicContact OD1-NZ 2.81Å; D449-K452 PolarHBondContact OD1-NZ 2.99Å; A450-K452 PolarHBondContact O-N 3.42Å; K452-I454 PolarHBondContact O-N 3.47Å; K452-K455 PolarHBondContact O-N 2.97Å; K452-S456 PolarHBondContact O-N 2.82Å
453	T	56	Low	51	Low	89 Å²	89	101 Å²	101	55%	0.546	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-38.1	-178.4	0.2	0	0	0	0	112.8	D449 A450 S456 N457	D449-T453 PolarHBondContact O-N 2.6Å; D449-T453 VanDerWaalsContact O-N 3.09Å; D449-T453 PolarHBondContact O-OG1 2.88Å; D449-T453 VanDerWaalsContact O-OG1 3.07Å; A450-T453 PolarHBondContact O-N 3.48Å; T453-S456 VanDerWaalsContact O-CB 3.26Å; T453-S456 WeakPolarHBondContact O-CB 3.4Å; T453-S456 PolarHBondContact O-N 3.3Å; T453-N457 VanDerWaalsContact O-CG 3.29Å; T453-N457 PolarHBondContact O-N 2.98Å; T453-N457 PolarHBondContact O-OD1 2.88Å
454	I	43.7	Very low	51.2	Low	102 Å²	102	104.2 Å²	104.2	52%	0.523	55%	0.547	S	S	.	.	H	α-helix	trans	-89.1	-12.1	178.4	-54.9	179.5	0	0	0	111.7	A450 K452 N457 E458	A450-I454 WeakPolarHBondContact O-CA 3.33Å; A450-I454 WeakPolarHBondContact O-CB 3.46Å; A450-I454 WeakPolarHBondContact O-CG1 3.39Å; A450-I454 PolarHBondContact O-N 3.08Å; K452-I454 PolarHBondContact O-N 3.47Å; I454-N457 CarbonylContact O-C 3.59Å; I454-N457 PolarHBondContact O-N 3.1Å; I454-E458 WeakPolarHBondContact O-CB 3.26Å; I454-E458 WeakPolarHBondContact O-CG 3.31Å; I454-E458 PolarHBondContact O-N 3.04Å
455	K	53.3	Low	50.6	Low	90 Å²	90	106.6 Å²	106.6	39%	0.391	56%	0.561	S	S	.	*	H	α-helix	trans	-77.2	-29.2	157.3	-75.8	-164.6	161.4	-74.9	0	113.1	Q451 K452 N457 E458 T459	Q451-K455 HydrophobicContact CG-CD 4.26Å; Q451-K455 HydrophobicContact CG-CG 4.25Å; Q451-K455 WeakPolarHBondContact O-CB 3.32Å; Q451-K455 WeakPolarHBondContact O-CG 3.48Å; K452-K455 PolarHBondContact O-N 2.97Å; K455-N457 VanDerWaalsContact C-N 3.32Å; K455-E458 HydrophobicContact CG-CG 4.44Å; K455-E458 WeakPolarHBondContact CG-OE2 3.49Å; K455-E458 IonicContact NZ-OE1 3.58Å; K455-E458 PolarHBondContact NZ-OE1 3.16Å; K455-E458 IonicContact NZ-OE2 2.78Å; K455-E458 PolarHBondContact NZ-OE2 3.38Å; K455-T459 PolarHBondContact O-N 3Å; K455-T459 PolarHBondContact O-OG1 3.27Å
456	S	52.4	Low	50.1	Low	62 Å²	62	112 Å²	112	43%	0.434	58%	0.577	S	S	.	*	H	α-helix	trans	-61.7	-43.3	164.3	-165.1	0	0	0	0	110.4	K452 T453 I460	K452-S456 PolarHBondContact O-N 2.82Å; T453-S456 VanDerWaalsContact O-CB 3.26Å; T453-S456 WeakPolarHBondContact O-CB 3.4Å; T453-S456 PolarHBondContact O-N 3.3Å; S456-I460 WeakPolarHBondContact O-CG1 3.01Å; S456-I460 PolarHBondContact O-N 3.49Å
457	N	42.8	Very low	49.9	Very low	96 Å²	96	116.9 Å²	116.9	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-76	-31.3	177.4	-59.8	-7.4	0	0	0	113.9	T453 I454 K455 T459 I461	T453-N457 VanDerWaalsContact O-CG 3.29Å; T453-N457 PolarHBondContact O-N 2.98Å; T453-N457 PolarHBondContact O-OD1 2.88Å; I454-N457 CarbonylContact O-C 3.59Å; I454-N457 PolarHBondContact O-N 3.1Å; K455-N457 VanDerWaalsContact C-N 3.32Å; N457-T459 VanDerWaalsContact C-N 3.31Å; N457-T459 PolarHBondContact O-N 2.78Å; N457-I461 PolarHBondContact O-N 3.47Å
458	E	48.1	Very low	50.3	Low	100 Å²	100	119.2 Å²	119.2	47%	0.467	60%	0.602	S	S	.	*	H	α-helix	trans	-50	-57.9	169.1	-88.6	-177.6	179.1	0	0	108.1	I454 K455 I460 A462	I454-E458 WeakPolarHBondContact O-CB 3.26Å; I454-E458 WeakPolarHBondContact O-CG 3.31Å; I454-E458 PolarHBondContact O-N 3.04Å; K455-E458 HydrophobicContact CG-CG 4.44Å; K455-E458 WeakPolarHBondContact CG-OE2 3.49Å; K455-E458 IonicContact NZ-OE1 3.58Å; K455-E458 PolarHBondContact NZ-OE1 3.16Å; K455-E458 IonicContact NZ-OE2 2.78Å; K455-E458 PolarHBondContact NZ-OE2 3.38Å; E458-I460 VanDerWaalsContact C-N 3.34Å; E458-I460 PolarHBondContact O-N 2.92Å; E458-A462 WeakPolarHBondContact O-CB 3.24Å; E458-A462 PolarHBondContact O-N 2.92Å; E458-A462 VanDerWaalsContact O-N 3.12Å
459	T	43.9	Very low	49.2	Very low	109 Å²	109	121.2 Å²	121.2	67%	0.669	62%	0.619	S	S	*	*	H	α-helix	trans	-68.1	-35.1	-166.3	-49.2	0	0	0	0	111.8	K455 N457	K455-T459 PolarHBondContact O-N 3Å; K455-T459 PolarHBondContact O-OG1 3.27Å; N457-T459 VanDerWaalsContact C-N 3.31Å; N457-T459 PolarHBondContact O-N 2.78Å
460	I	45.8	Very low	48.6	Very low	133 Å²	133	126.2 Å²	126.2	68%	0.682	64%	0.639	S	S	*	*	H	α-helix	trans	-88.8	-10.6	-170.5	-61.4	176	0	0	0	113	S456 E458	S456-I460 WeakPolarHBondContact O-CG1 3.01Å; S456-I460 PolarHBondContact O-N 3.49Å; E458-I460 VanDerWaalsContact C-N 3.34Å; E458-I460 PolarHBondContact O-N 2.92Å
461	I	63.4	Low	48.6	Very low	122 Å²	122	132.6 Å²	132.6	63%	0.626	67%	0.67	S	S	*	*	H	α-helix	trans	-120.9	-17.5	177.3	-58.7	-175	0	0	0	114.1	N457 W463 L464	N457-I461 PolarHBondContact O-N 3.47Å; I461-W463 PolarHBondContact O-N 2.68Å; I461-L464 PolarHBondContact O-N 3.19Å
462	A	44.4	Very low	48.9	Very low	67 Å²	67	133.5 Å²	133.5	55%	0.554	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-13.2	-174.8	0	0	0	0	0	117.3	E458 L464	E458-A462 WeakPolarHBondContact O-CB 3.24Å; E458-A462 PolarHBondContact O-N 2.92Å; E458-A462 VanDerWaalsContact O-N 3.12Å; A462-L464 PolarHBondContact O-N 2.84Å
463	W	39	Very low	49.2	Very low	237 Å²	237	132 Å²	132	90%	0.898	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-15.7	-178.5	-178	69.5	0	0	0	114.4	I461 N465	I461-W463 PolarHBondContact O-N 2.68Å; W463-N465 PolarHBondContact O-N 2.93Å
464	L	58.6	Low	49.2	Very low	135 Å²	135	131.6 Å²	131.6	71%	0.707	70%	0.7	S	S	*	*			trans	-101	47.5	-166.4	-64	171.1	0	0	0	115.2	I461 A462	I461-L464 PolarHBondContact O-N 3.19Å; A462-L464 PolarHBondContact O-N 2.84Å
465	N	44.7	Very low	49.5	Very low	145 Å²	145	136.6 Å²	136.6	78%	0.775	71%	0.714	S	S	*	*			trans	-129.9	41.2	-153.3	-158	10.6	0	0	0	118.7	W463	W463-N465 PolarHBondContact O-N 2.93Å
466	R	50.2	Low	49	Very low	248 Å²	248	138.1 Å²	138.1	94%	0.936	73%	0.73	S	S	*	*			trans	-123.5	38.2	-159.3	-153.8	174.4	162.5	140	-1.6	121.1
467	Q	50.7	Low	48.9	Very low	184 Å²	184	142.2 Å²	142.2	86%	0.86	74%	0.743	S	S	*	*			trans	-157.4	145.5	173.5	-58.6	-170.7	10.7	0	0	118.4
468	I	53.2	Low	49.3	Very low	165 Å²	165	143.9 Å²	143.9	85%	0.846	75%	0.751	S	S	*	*			trans	91.6	151.6	153.2	-65.1	156.1	0	0	0	125.2
469	A	30.5	Very low	49.4	Very low	87 Å²	87	149 Å²	149	72%	0.719	77%	0.766	S	S	*	*			trans	-166.2	-177.6	-179.5	0	0	0	0	0	119.1
470	E	42.9	Very low	49.9	Very low	194 Å²	194	149.6 Å²	149.6	91%	0.907	77%	0.765	S	S	*	*			trans	129.6	143	147.7	-67.8	178.7	-135.7	0	0	126.3
471	N	56.2	Low	50	Low	159 Å²	159	151.3 Å²	151.3	85%	0.85	77%	0.767	S	S	*	*			trans	95.6	142.6	140.9	-138.7	17.9	0	0	0	132.2
472	D	55.2	Low	49.3	Very low	136 Å²	136	152.2 Å²	152.2	73%	0.727	77%	0.773	S	S	*	*			trans	66.3	149.2	147.3	-150.5	41.8	0	0	0	133.7
473	S	59.1	Low	49.6	Very low	112 Å²	112	153.8 Å²	153.8	78%	0.783	78%	0.78	S	S	*	*			trans	98.9	147.2	138.4	-104.9	0	0	0	0	130.3
474	G	54.9	Low	50.1	Low	81 Å²	81	146.6 Å²	146.6	84%	0.835	77%	0.771	S	S	*	*			trans	151.2	143.3	156.7	0	0	0	0	0	124.6
475	Y	50.4	Low	49.6	Very low	207 Å²	207	149.5 Å²	149.5	81%	0.812	78%	0.778	S	S	*	*			trans	-157.4	-174.4	177.7	-158.4	26.9	0	0	0	114.9
476	V	42.5	Very low	49.9	Very low	121 Å²	121	147.8 Å²	147.8	73%	0.733	78%	0.775	S	S	*	*			cis	-155.9	-152.8	30.1	-150.9	0	0	0	0	115.1
477	Q	51	Low	49.9	Very low	149 Å²	149	141.7 Å²	141.7	70%	0.696	77%	0.765	S	S	*	*			trans	-165.7	153.5	-163.1	-152.2	-162	100.8	0	0	122.3
478	N	51.1	Low	49.6	Very low	130 Å²	130	140.5 Å²	140.5	70%	0.695	76%	0.763	S	S	*	*			trans	90.7	149.2	141.7	-130.8	-25.1	0	0	0	128.8
479	R	49.3	Very low	49.1	Very low	208 Å²	208	137.5 Å²	137.5	79%	0.785	76%	0.756	S	S	*	*			trans	68.8	131.9	141.6	-111.5	-163.8	174.9	-162.6	0.1	132.2
480	L	54.2	Low	49.5	Very low	122 Å²	122	139.3 Å²	139.3	64%	0.639	76%	0.758	S	S	*	*				74.4	138.4	128.7	-102.1	-160.7	0	0	0	130.4
481	K	49.2	Very low	49.4	Very low	168 Å²	168	135.8 Å²	135.8	73%	0.73	76%	0.755	S	S	*	*			trans	95.3	130.4	132.4	-115.7	-176.2	177.1	-171.4	0	126.9
482	L	48.6	Very low	48.7	Very low	141 Å²	141	134.4 Å²	134.4	74%	0.738	76%	0.758	S	S	*	*			trans	80.4	134.2	139.8	-91.4	167.9	0	0	0	128
483	S	49.3	Very low	48	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	76%	0.758	S	S	*	*			trans	70.9	124.5	138.2	60.7	0	0	0	0	128.4
484	A	49.6	Very low	47.3	Very low	85 Å²	85	132.4 Å²	132.4	70%	0.702	76%	0.76	S	S	*	*			trans	76.6	166.8	131.1	0	0	0	0	0	124.6
485	F	49.6	Very low	46.7	Very low	197 Å²	197	136 Å²	136	86%	0.864	76%	0.758	S	S	*	*			trans	87.8	159.3	166.9	-71.7	-75.6	0	0	0	120.4
486	P	51.3	Low	46.8	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	76%	0.756	S	S	*	*			trans	-138.3	-145.8	-142.3	30.7	-1.8	0	0	0	115.9
487	V	48.4	Very low	47.1	Very low	120 Å²	120	131.8 Å²	131.8	73%	0.727	76%	0.76	S	S	*	*			trans	101.6	141.5	147.2	160.8	0	0	0	0	123.4
488	I	45.3	Very low	46.4	Very low	160 Å²	160	132 Å²	132	82%	0.821	77%	0.765	S	S	*	*			trans	67.9	155.1	159.8	-86.9	160.5	0	0	0	121
489	S	42	Very low	45.6	Very low	101 Å²	101	131 Å²	131	71%	0.706	76%	0.764	S	S	*	*			cis	164.8	166.4	-32.3	-163.9	0	0	0	0	109.7
490	V	40.2	Very low	45.8	Very low	125 Å²	125	127.2 Å²	127.2	76%	0.758	76%	0.764	S	S	*	*			trans	66.8	127.3	159.7	-132.9	0	0	0	0	124.4
491	S	40.9	Very low	46	Very low	120 Å²	120	126.1 Å²	126.1	84%	0.839	76%	0.764	S	S	*	*				159.9	159.7	119.5	-69.4	0	0	0	0	116.9
492	S	39.9	Very low	45.8	Very low	130 Å²	130	125.6 Å²	125.6	91%	0.909	77%	0.769	S	S	*	*			trans	-109.4	168	-157.2	-42.2	0	0	0	0	118.2
493	G	42	Very low	45.5	Very low	71 Å²	71	123.1 Å²	123.1	73%	0.732	76%	0.764	S	S	*	*			trans	153.6	114.2	143.4	0	0	0	0	0	123.7
494	V	43	Very low	45.1	Very low	136 Å²	136	125.4 Å²	125.4	82%	0.824	77%	0.768	S	S	*	*			trans	64.4	107.7	133	-167.1	0	0	0	0	125.4
495	I	43.9	Very low	44.8	Very low	157 Å²	157	127 Å²	127	81%	0.805	77%	0.769	S	S	*	*				44.4	137.5	124.8	-52.9	173.2	0	0	0	124.9
496	C	51.8	Low	44.2	Very low	114 Å²	114	123.9 Å²	123.9	77%	0.77	76%	0.761	S	S	*	*			trans	-6.5	152.8	157.7	-67.5	0	0	0	0	122.9
497	P	48.6	Very low	43.5	Very low	124 Å²	124	124.9 Å²	124.9	81%	0.805	77%	0.765	S	S	*	*				-163	160.4	71.9	43.7	-21.4	0	0	0	123.4
498	L	37.4	Very low	42.9	Very low	154 Å²	154	124.8 Å²	124.8	81%	0.806	77%	0.77	S	S	*	*			trans	46.6	149.5	136.7	-123	75.7	0	0	0	130.1
499	T	33.9	Very low	42.4	Very low	109 Å²	109	122.6 Å²	122.6	67%	0.669	77%	0.769	S	S	*	*			trans	72.7	118.7	148.9	35.9	0	0	0	0	122.2
500	T	52	Low	42.1	Very low	128 Å²	128	121.4 Å²	121.4	79%	0.785	77%	0.773	S	S	*	*				89.8	169.8	64.5	59.6	0	0	0	0	115.7
501	P	58.8	Low	41.9	Very low	100 Å²	100	120.8 Å²	120.8	65%	0.649	77%	0.773	S	S	*	*			cis	-144.3	-179.3	7.7	45.7	-26	0	0	0	120.7
502	N	46.2	Very low	41.4	Very low	156 Å²	156	122.6 Å²	122.6	83%	0.834	77%	0.769	S	S	*	*			trans	72.9	150	150.7	-67.8	-6	0	0	0	122.8
503	S	41.9	Very low	41.1	Very low	90 Å²	90	124.3 Å²	124.3	63%	0.629	76%	0.76	S	S	*	*			cis	-171.1	134.6	-5.5	156.4	0	0	0	0	116.2
504	L	40.9	Very low	40.9	Very low	149 Å²	149	126.3 Å²	126.3	78%	0.78	76%	0.76	S	S	*	*			trans	62.2	173.3	155.3	-64.9	174.3	0	0	0	119.6
505	T	42.7	Very low	40.7	Very low	118 Å²	118	125.4 Å²	125.4	72%	0.724	76%	0.759	S	S	*	*			cis	-169.5	169.1	-0.2	12.5	0	0	0	0	108.6
506	D	37	Very low	40.2	Very low	132 Å²	132	122.7 Å²	122.7	71%	0.706	76%	0.76	S	S	*	*			cis	-173.7	174.8	-38.4	-138.4	-63.5	0	0	0	114.1
507	T	36.3	Very low	39.6	Very low	129 Å²	129	126.7 Å²	126.7	79%	0.791	77%	0.765	S	S	*	*			trans	74.4	130.5	160.1	57.6	0	0	0	0	127.3
508	S	35.9	Very low	39	Very low	117 Å²	117	130 Å²	130	82%	0.818	77%	0.77	S	S	*	*			trans	86	167.2	143.9	-143.7	0	0	0	0	123.9
509	S	36.1	Very low	38.9	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	77%	0.765	S	S	*	*				-165.7	156.7	-128.3	55.9	0	0	0	0	119.2
510	G	34.6	Very low	39.3	Very low	76 Å²	76	129.6 Å²	129.6	78%	0.784	77%	0.774	S	S	*	*			trans	103.4	168.3	156.5	0	0	0	0	0	118.1
511	S	35.2	Very low	38.8	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	78%	0.775	S	S	*	*			cis	178.3	131.8	-29.3	49	0	0	0	0	113.9
512	E	31.7	Very low	38.2	Very low	158 Å²	158	130.3 Å²	130.3	74%	0.738	78%	0.784	S	S	*	*			trans	63.6	164.3	154.9	-57.6	-149.8	144.8	0	0	120.1
513	K	33.3	Very low	37.9	Very low	166 Å²	166	133.2 Å²	133.2	72%	0.722	79%	0.785	S	S	*	*			cis	-161.7	173.2	-17.2	-114.7	-179.6	-171.7	133	0	111.3
514	P	38.7	Very low	38	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	79%	0.791	S	S	*	*			trans	-125.6	172.7	-175.7	43.3	-31.5	0	0	0	118.2
515	S	36.9	Very low	37.9	Very low	116 Å²	116	134 Å²	134	81%	0.811	79%	0.786	S	S	*	*			trans	67.7	127.9	143.4	177	0	0	0	0	123.6
516	A	35.3	Very low	37.6	Very low	100 Å²	100	135.6 Å²	135.6	83%	0.826	79%	0.79	S	S	*	*			trans	-164.5	169.4	147.4	0	0	0	0	0	114
517	F	37.6	Very low	37.5	Very low	198 Å²	198	136.2 Å²	136.2	87%	0.868	80%	0.799	S	S	*	*			trans	-120.4	162.3	-176.3	-105.4	-101.7	0	0	0	111.9
518	E	37.5	Very low	37.5	Very low	194 Å²	194	137.8 Å²	137.8	91%	0.907	80%	0.797	S	S	*	*			trans	-160.6	171.6	149.5	-130.1	169.6	-153.7	0	0	115.2
519	T	34.4	Very low	37.6	Very low	116 Å²	116	140.6 Å²	140.6	71%	0.712	80%	0.797	S	S	*	*			trans	-152.7	143.7	-161.6	-55.2	0	0	0	0	113.2
520	T	42.6	Very low	37.6	Very low	139 Å²	139	140.5 Å²	140.5	85%	0.853	80%	0.796	S	S	*	*			trans	-168.3	142.5	162.8	-3.2	0	0	0	0	117.1
521	P	40.7	Very low	37.6	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	80%	0.799	S	S	*	*			trans	-143.2	171.6	145.6	39.2	-24.3	0	0	0	115.2
522	S	46.4	Very low	37.7	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	80%	0.8	S	S	*	*			trans	-160.4	-171.4	178.7	65	0	0	0	0	114.5
523	Y	39.9	Very low	38	Very low	217 Å²	217	142.9 Å²	142.9	85%	0.851	80%	0.804	S	S	*	*				-159.6	168.1	-86.5	-145	-78.9	0	0	0	111.9
524	I	43.6	Very low	38.2	Very low	150 Å²	150	146.3 Å²	146.3	77%	0.769	81%	0.813	S	S	*	*			trans	103.1	134.9	156.6	-58.3	174.9	0	0	0	120.9
525	P	39.3	Very low	38.2	Very low	104 Å²	104	146.4 Å²	146.4	68%	0.675	81%	0.811	S	S	*	*			trans	-136	-173.2	175.2	44.1	-27.6	0	0	0	118.1
526	L	35.6	Very low	38.5	Very low	152 Å²	152	147.3 Å²	147.3	80%	0.796	81%	0.811	S	S	*	*			trans	70.5	136.4	146.3	-106	154.2	0	0	0	123.8
527	T	36.3	Very low	39.4	Very low	145 Å²	145	147.5 Å²	147.5	89%	0.89	80%	0.804	S	S	*	*			trans	176.6	-177.8	135.4	26.4	0	0	0	0	115
528	Q	35.6	Very low	39.3	Very low	162 Å²	162	145.9 Å²	145.9	76%	0.757	80%	0.803	S	S	*	*			trans	-129.6	159.6	-163.1	-51.9	166.6	-50.6	0	0	114.6
529	H	37.3	Very low	39.5	Very low	176 Å²	176	145.2 Å²	145.2	82%	0.815	80%	0.798	S	S	*	*				160.2	144.1	118.3	-96.6	-34.3	0	0	0	119.7
530	S	36.2	Very low	39.7	Very low	113 Å²	113	145.9 Å²	145.9	79%	0.79	80%	0.797	S	S	*	*			trans	78.6	160.9	140.3	-140	0	0	0	0	125.4
531	Q	36.2	Very low	39.6	Very low	181 Å²	181	144 Å²	144	85%	0.846	79%	0.785	S	S	*	*			trans	-85.7	156.4	-156.6	-52.5	166.7	-9.8	0	0	117
532	A	36.4	Very low	39.6	Very low	95 Å²	95	146.2 Å²	146.2	79%	0.785	79%	0.785	S	S	*	*				155.2	123.1	107.9	0	0	0	0	0	118.1
533	S	37.4	Very low	39.4	Very low	119 Å²	119	145.6 Å²	145.6	83%	0.832	78%	0.776	S	S	*	*			trans	58.2	110.8	137.7	-73.9	0	0	0	0	126.3
534	R	39.1	Very low	39.4	Very low	239 Å²	239	140.4 Å²	140.4	90%	0.902	77%	0.772	S	S	*	*				103.1	140.5	114	-141.7	-171.4	-168.6	-176.3	3.2	122.4
535	V	37.9	Very low	39.3	Very low	116 Å²	116	138.9 Å²	138.9	70%	0.703	77%	0.769	S	S	*	*			trans	102	81.3	152.8	-164.9	0	0	0	0	122.1
536	V	44	Very low	39.3	Very low	135 Å²	135	141.9 Å²	141.9	82%	0.818	78%	0.776	S	S	*	*				47.4	176.4	125.7	-111.6	0	0	0	0	124.3
537	P	52.7	Low	39.5	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	77%	0.771	S	S	*	*				-137.7	-166.9	-124.7	48.6	-28.1	0	0	0	118.1
538	L	37.1	Very low	39.5	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	76%	0.762	S	S	*	*			trans	-160.1	-162.9	139.5	-135.7	74.2	0	0	0	114.5
539	F	41.5	Very low	39.6	Very low	180 Å²	180	135.3 Å²	135.3	79%	0.789	76%	0.761	S	S	*	*			trans	-120.9	163.9	-147.5	-100.1	-100.6	0	0	0	118
540	D	37.6	Very low	39.5	Very low	129 Å²	129	131.6 Å²	131.6	69%	0.69	76%	0.756	S	S	*	*				107.9	132.2	127.7	-94.9	-31	0	0	0	127.8
541	T	40.7	Very low	39.6	Very low	99 Å²	99	130.9 Å²	130.9	61%	0.607	75%	0.751	S	S	*	*			trans	89.3	136.3	138.3	54.6	0	0	0	0	128.1
542	H	40.8	Very low	39.6	Very low	169 Å²	169	129.7 Å²	129.7	78%	0.782	75%	0.75	S	S	*	*			trans	78.9	148.9	143	-66.9	-28.4	0	0	0	122.5
543	T	42.9	Very low	39.8	Very low	108 Å²	108	131.1 Å²	131.1	66%	0.663	75%	0.749	S	S	*	*			cis	-174.7	150.5	-12.6	-94.3	0	0	0	0	114.1
544	S	40	Very low	40	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	75%	0.747	S	S	*	*			trans	67.9	159.3	158.1	-79	0	0	0	0	121.4
545	V	40.4	Very low	40	Very low	118 Å²	118	129.5 Å²	129.5	72%	0.715	75%	0.747	S	S	*	*			cis	-162.2	134.1	-14.2	122.8	0	0	0	0	108.9
546	M	39.9	Very low	40.1	Very low	167 Å²	167	130.8 Å²	130.8	82%	0.823	75%	0.749	S	S	*	*				51.4	146.8	104.7	-126.7	-168.9	-89.2	0	0	116.9
547	V	39.1	Very low	39.8	Very low	114 Å²	114	131.9 Å²	131.9	69%	0.691	75%	0.745	S	S	*	*			cis	-153.3	155.3	23.8	-161.3	0	0	0	0	109
548	S	37	Very low	39.1	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	75%	0.75	S	S	*	*				171.1	153.1	84	-54.8	0	0	0	0	114.8
549	S	37.2	Very low	39.3	Very low	107 Å²	107	131 Å²	131	75%	0.748	75%	0.745	S	S	*	*			trans	21.5	158.2	142.1	62.8	0	0	0	0	124.6
550	S	35.9	Very low	39.1	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	74%	0.741	S	S	*	*			cis	174.9	148.8	-25.4	59.5	0	0	0	0	111.9
551	S	37.1	Very low	39.2	Very low	98 Å²	98	130 Å²	130	69%	0.685	74%	0.74	S	S	*	*			trans	76.7	135.5	149	-51.4	0	0	0	0	122.9
552	N	37.5	Very low	39.1	Very low	155 Å²	155	136.2 Å²	136.2	83%	0.829	75%	0.753	S	S	*	*			trans	68.4	145	156.9	-52.8	-24.5	0	0	0	117.3
553	T	40.9	Very low	38.9	Very low	125 Å²	125	136 Å²	136	77%	0.767	76%	0.756	S	S	*	*			cis	-148.8	162.4	31.2	47.4	0	0	0	0	115.5
554	N	40	Very low	38.8	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	76%	0.76	S	S	*	*			trans	-3.8	144.8	153.1	-50.8	-31.2	0	0	0	121.1
555	I	40.8	Very low	38.7	Very low	177 Å²	177	140.1 Å²	140.1	91%	0.908	76%	0.759	S	S	*	*				-163.7	164.6	118.4	-102.7	158.9	0	0	0	111.2
556	L	38.6	Very low	38.8	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	76%	0.76	S	S	*	*			trans	-106.7	150.7	-162.4	-79.2	159.2	0	0	0	115.4
557	Q	38.4	Very low	39.3	Very low	158 Å²	158	138.3 Å²	138.3	74%	0.738	75%	0.754	S	S	*	*			trans	75.1	136.9	135.8	-81.4	176.1	-21.2	0	0	124.5
558	T	38.1	Very low	39.6	Very low	125 Å²	125	139.4 Å²	139.4	77%	0.767	76%	0.756	S	S	*	*			trans	91.6	150.5	135.2	47.7	0	0	0	0	123.6
559	V	40.5	Very low	39.7	Very low	126 Å²	126	139.7 Å²	139.7	76%	0.764	76%	0.758	S	S	*	*			trans	72.5	95.2	171.7	-160.1	0	0	0	0	115
560	D	37.8	Very low	40	Very low	131 Å²	131	139 Å²	139	70%	0.701	75%	0.753	S	S	*	*				78	140.1	54.4	-167.1	28.8	0	0	0	115.3
561	K	40	Very low	40.3	Very low	156 Å²	156	142.9 Å²	142.9	68%	0.678	76%	0.758	S	S	*	*			trans	89.1	105.4	166	-54.1	177.5	-173	160.5	0	122.2
562	R	39.1	Very low	40.5	Very low	230 Å²	230	143.8 Å²	143.8	87%	0.868	76%	0.755	S	S	*	*				71.4	115.5	117.5	-68.7	-174.8	-177.2	-163.8	0.4	123.1
563	L	36.1	Very low	40.9	Very low	163 Å²	163	143.1 Å²	143.1	85%	0.853	75%	0.751	S	S	*	*				82.5	162.7	122.5	-144.1	87.2	0	0	0	120.7
564	I	40.7	Very low	40.9	Very low	143 Å²	143	145.2 Å²	145.2	73%	0.733	76%	0.757	S	S	*	*			trans	107.3	89.4	162	-54.7	169.6	0	0	0	117.7
565	E	38.6	Very low	40.9	Very low	162 Å²	162	143.8 Å²	143.8	76%	0.757	76%	0.757	S	S	*	*				36	123.7	123.2	-58.7	-173.5	134.6	0	0	124.4
566	L	41.9	Very low	40.9	Very low	139 Å²	139	141 Å²	141	73%	0.728	75%	0.748	S	S	*	*				63.1	158.8	127.4	-82.5	156.2	0	0	0	120.2
567	P	51.1	Low	41	Very low	107 Å²	107	143.1 Å²	143.1	70%	0.695	75%	0.751	S	S	*	*			cis	-146.3	159.6	44.9	41.5	-20.2	0	0	0	121.1
568	N	43.6	Very low	41.3	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	75%	0.752	S	S	*	*			trans	22.2	141.6	137.7	-50.7	-35.6	0	0	0	120.2
569	S	40.4	Very low	41.5	Very low	106 Å²	106	142.7 Å²	142.7	74%	0.741	75%	0.753	S	S	*	*			cis	-175.4	158.2	49.2	61	0	0	0	0	115.3
570	S	42.8	Very low	41.6	Very low	92 Å²	92	142 Å²	142	64%	0.643	75%	0.752	S	S	*	*			trans	35.7	150.4	135.6	-63.4	0	0	0	0	123.1
571	K	42.3	Very low	41.9	Very low	181 Å²	181	141.6 Å²	141.6	79%	0.787	76%	0.756	S	S	*	*			cis	-175.5	-176.9	-2.8	-104.8	169.4	-175.9	178.2	0	106.7
572	N	41.9	Very low	41.7	Very low	116 Å²	116	139 Å²	139	62%	0.62	76%	0.763	S	S	*	*			cis	-157.3	-172.2	3.7	-142.1	70	0	0	0	109.7
573	N	45.3	Very low	41.9	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	76%	0.756	S	S	*	*			trans	65.4	112.1	160.9	-55.5	-15	0	0	0	117.6
574	L	40.4	Very low	41.8	Very low	170 Å²	170	133.6 Å²	133.6	89%	0.89	75%	0.751	S	S	*	*			cis	86.2	99.6	17.9	-158.9	109.6	0	0	0	117.1
575	C	41.2	Very low	41.7	Very low	116 Å²	116	133.4 Å²	133.4	78%	0.784	75%	0.752	S	S	*	*			trans	-170.9	109.3	131.1	-159	0	0	0	0	115.3
576	V	40.1	Very low	41.5	Very low	118 Å²	118	133 Å²	133	72%	0.715	76%	0.76	S	S	*	*			trans	29.7	116	144	-170.5	0	0	0	0	121.9
577	K	41.9	Very low	41.3	Very low	189 Å²	189	130.9 Å²	130.9	82%	0.822	75%	0.754	S	S	*	*				-167.9	121.2	114	-106.3	176.8	-175.9	177.7	0	113.2
578	N	43.3	Very low	40.4	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	76%	0.758	S	S	*	*			trans	36.1	130.6	141.8	-55.6	10.2	0	0	0	119.4
579	V	43.5	Very low	40.1	Very low	132 Å²	132	131.6 Å²	131.6	80%	0.8	76%	0.76	S	S	*	*			cis	-145.5	147.2	16.5	179.9	0	0	0	0	110
580	P	42.8	Very low	39.7	Very low	113 Å²	113	131.4 Å²	131.4	73%	0.734	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-84	173.7	-177.9	34.9	-37.8	0	0	0	115.5
581	P	43	Very low	39.5	Very low	121 Å²	121	133.3 Å²	133.3	79%	0.786	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-93.9	173.3	-161.3	38.2	-37.7	0	0	0	115.8
582	A	36.8	Very low	39.2	Very low	101 Å²	101	132 Å²	132	84%	0.835	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-83.3	126.1	178	0	0	0	0	0	113.2
583	I	41.6	Very low	38.9	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	78%	0.78	S	S	*	*			trans	-139.5	144.4	165	-70.1	-177.2	0	0	0	107
584	D	34.1	Very low	38.5	Very low	140 Å²	140	133 Å²	133	75%	0.749	77%	0.774	S	S	*	*			trans	55.3	123.5	173.1	-59.8	-22.7	0	0	0	119.4
585	N	38.6	Very low	38.2	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	77%	0.769	S	S	*	*				-179.1	80.7	117.4	-99.6	-76.8	0	0	0	111.2	T587	N585-T587 VanDerWaalsContact C-N 3.27Å; N585-T587 PolarHBondContact O-N 3.41Å; N585-T587 VanDerWaalsContact O-N 3.12Å; N585-T587 PolarHBondContact OD1-OG1 3.44Å
586	T	34.7	Very low	38.2	Very low	153 Å²	153	133.2 Å²	133.2	94%	0.939	77%	0.768	S	S	*	*			trans	-78.7	79.1	159.7	46.2	0	0	0	0	109.2
587	T	37.4	Very low	38.2	Very low	96 Å²	96	135.1 Å²	135.1	59%	0.589	77%	0.773	S	S	*	*			trans	-116.9	108.2	-170.1	-58.1	0	0	0	0	111.9	N585 L589	N585-T587 VanDerWaalsContact C-N 3.27Å; N585-T587 PolarHBondContact O-N 3.41Å; N585-T587 VanDerWaalsContact O-N 3.12Å; N585-T587 PolarHBondContact OD1-OG1 3.44Å; T587-L589 PolarHBondContact O-N 3Å
588	S	32.4	Very low	38.5	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	77%	0.769	S	S	*	*			trans	-77.5	110.8	177.9	52.8	0	0	0	0	112.6
589	L	36.7	Very low	38.2	Very low	146 Å²	146	130.7 Å²	130.7	76%	0.764	77%	0.769	S	S	*	*			trans	-142.2	101.7	160.9	-70.9	178.4	0	0	0	107.8	T587	T587-L589 PolarHBondContact O-N 3Å
590	S	32.8	Very low	38	Very low	102 Å²	102	129.8 Å²	129.8	71%	0.713	77%	0.769	S	S	*	*				73	82.9	77.9	76.1	0	0	0	0	114.5
591	T	37.7	Very low	37.7	Very low	132 Å²	132	130.3 Å²	130.3	81%	0.81	77%	0.77	S	S	*	*			trans	-135.9	93.7	159.1	-59.7	0	0	0	0	110.6
592	I	36.6	Very low	37.3	Very low	153 Å²	153	130.3 Å²	130.3	79%	0.785	77%	0.773	S	S	*	*			trans	23	105.8	144.6	-49.8	167.4	0	0	0	116.8
593	L	36	Very low	37.3	Very low	173 Å²	173	131 Å²	131	91%	0.906	77%	0.771	S	S	*	*			trans	-151.6	139.8	142.9	-119.4	154.7	0	0	0	109.9
594	T	37.7	Very low	36.9	Very low	104 Å²	104	129.5 Å²	129.5	64%	0.638	77%	0.772	S	S	*	*			trans	-85.7	139.5	-153.2	-44.9	0	0	0	0	113.8	H596	T594-H596 PolarHBondContact O-N 2.66Å
595	T	33.8	Very low	37.2	Very low	125 Å²	125	129 Å²	129	77%	0.767	77%	0.774	S	S	*	*			trans	-72.8	113.4	179.8	48.4	0	0	0	0	113.1
596	H	41.7	Very low	37.3	Very low	167 Å²	167	128.7 Å²	128.7	77%	0.773	77%	0.771	S	S	*	*			trans	-143.1	93.9	161.6	-68.2	-64.5	0	0	0	111.7	T594	T594-H596 PolarHBondContact O-N 2.66Å
597	L	38.9	Very low	37.9	Very low	157 Å²	157	127.1 Å²	127.1	82%	0.822	76%	0.763	S	S	*	*			trans	-82.5	149	156.9	-101.5	74.7	0	0	0	109.5	V599	L597-V599 HydrophobicContact CD2-CG2 4.4Å
598	P	49.3	Very low	38	Very low	114 Å²	114	131.5 Å²	131.5	74%	0.74	77%	0.774	S	S	*	*			trans	-123.7	99.1	148.6	33.7	-21.5	0	0	0	111
599	V	35.7	Very low	38.5	Very low	123 Å²	123	134.6 Å²	134.6	75%	0.745	78%	0.776	S	S	*	*			trans	-101.3	96.5	155	175.4	0	0	0	0	106.4	L597	L597-V599 HydrophobicContact CD2-CG2 4.4Å
600	S	38.9	Very low	38.7	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	77%	0.773	S	S	*	*			trans	-105.6	95.4	-177.6	-65	0	0	0	0	110.8
601	T	37.4	Very low	39	Very low	123 Å²	123	134.4 Å²	134.4	76%	0.755	78%	0.775	S	S	*	*			trans	-65.8	151.8	164.1	49	0	0	0	0	111.5
602	S	35.1	Very low	39.3	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	78%	0.775	S	S	*	*			trans	60.8	99.8	153.7	177.4	0	0	0	0	118.1
603	S	36.5	Very low	39.6	Very low	116 Å²	116	134.5 Å²	134.5	81%	0.811	77%	0.772	S	S	*	*				-150.8	143.9	125.2	-167.4	0	0	0	0	111.3
604	C	32.3	Very low	39.9	Very low	109 Å²	109	133.6 Å²	133.6	74%	0.736	77%	0.766	S	S	*	*			trans	-106	119.4	174.6	178.2	0	0	0	0	109.6
605	V	41	Very low	40	Very low	128 Å²	128	139.7 Å²	139.7	78%	0.776	78%	0.778	S	S	*	*			trans	-144.8	134.3	155.4	174.7	0	0	0	0	108.5
606	I	39.8	Very low	40.3	Very low	133 Å²	133	138.7 Å²	138.7	68%	0.682	77%	0.771	S	S	*	*			trans	-110.2	122.7	172.6	-63.4	166.5	0	0	0	108.5	K608	I606-K608 HydrophobicContact CG2-CG 4.38Å
607	P	48.9	Very low	40.2	Very low	121 Å²	121	141 Å²	141	79%	0.786	77%	0.773	S	S	*	*			trans	-81.2	122.2	153.4	-5.3	24.2	0	0	0	108.7
608	K	39.7	Very low	40.2	Very low	187 Å²	187	139.6 Å²	139.6	81%	0.813	77%	0.767	S	S	*	*			trans	-87.8	147.2	163.2	-61.5	174	-179.6	175.2	0	107.9	I606	I606-K608 HydrophobicContact CG2-CG 4.38Å
609	E	42.8	Very low	39.8	Very low	178 Å²	178	139.5 Å²	139.5	83%	0.832	76%	0.764	S	S	*	*			trans	-161.6	133.3	134	-112.5	164.2	-149.1	0	0	112.1
610	N	40.6	Very low	39.9	Very low	132 Å²	132	141.3 Å²	141.3	71%	0.706	77%	0.769	S	S	*	*			trans	44.2	110	155.4	-49.5	-26.2	0	0	0	119
611	C	39	Very low	40	Very low	112 Å²	112	140.6 Å²	140.6	76%	0.757	76%	0.764	S	S	*	*				69.4	99.2	60.8	-61.4	0	0	0	0	114
612	D	44	Very low	39.9	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	77%	0.77	S	S	*	*				-176.4	153.4	116.7	-86.8	-17.1	0	0	0	107.5
613	L	42.3	Very low	40.4	Very low	139 Å²	139	145 Å²	145	73%	0.728	76%	0.763	S	S	*	*			cis	162.6	141.7	-25	-113.3	175.7	0	0	0	103.6
614	I	41.9	Very low	40.5	Very low	153 Å²	153	150.2 Å²	150.2	79%	0.785	77%	0.767	S	S	*	*			trans	67.5	106.5	171.3	-52.2	157.3	0	0	0	114.1
615	R	40.3	Very low	41	Very low	232 Å²	232	151.2 Å²	151.2	88%	0.875	78%	0.775	S	S	*	*			cis	85.4	137.1	35	-156.4	-160.9	-168.4	-164.4	7	114.3
616	V	39.9	Very low	40.9	Very low	105 Å²	105	148.6 Å²	148.6	64%	0.636	77%	0.774	S	S	*	*			trans	106.6	88.9	158.2	-170.3	0	0	0	0	118.6
617	R	39.7	Very low	40.8	Very low	214 Å²	214	147.9 Å²	147.9	81%	0.808	78%	0.781	S	S	*	*				75.1	143.5	128.2	-83.2	-173.5	171.4	135.6	-2.9	124.5
618	N	39.7	Very low	40.5	Very low	129 Å²	129	147.8 Å²	147.8	69%	0.69	78%	0.783	S	S	*	*			trans	74.4	143.6	141.1	-71.1	18.1	0	0	0	118.7
619	T	39.4	Very low	40.8	Very low	111 Å²	111	146.4 Å²	146.4	68%	0.681	78%	0.783	S	S	*	*			cis	-164.1	174.7	-13.5	15.5	0	0	0	0	109.2
620	L	39	Very low	41.1	Very low	162 Å²	162	143.7 Å²	143.7	85%	0.848	78%	0.781	S	S	*	*			trans	78	158.3	169.3	-54.8	152.9	0	0	0	116.3
621	S	39.9	Very low	41.4	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	78%	0.78	S	S	*	*				179.5	119.2	-65.7	48.9	0	0	0	0	110.6
622	Y	35.2	Very low	41.9	Very low	227 Å²	227	146.6 Å²	146.6	89%	0.89	79%	0.789	S	S	*	*			trans	-87.8	175	157.1	-82.2	-87.6	0	0	0	109.2
623	P	46.3	Very low	42.4	Very low	108 Å²	108	146.9 Å²	146.9	70%	0.701	79%	0.788	S	S	*	*			cis	-140.7	179.4	13	45.2	-27.4	0	0	0	117.7
624	Y	39	Very low	42.6	Very low	226 Å²	226	145.4 Å²	145.4	89%	0.886	79%	0.787	S	S	*	*			trans	43.2	107.9	145.6	-99.8	-104.7	0	0	0	122.1
625	S	41.7	Very low	42.9	Very low	130 Å²	130	146.1 Å²	146.1	91%	0.909	79%	0.793	S	S	*	*			trans	-171	155.9	143.5	-80	0	0	0	0	110.2
626	G	38.9	Very low	43	Very low	73 Å²	73	141 Å²	141	75%	0.753	79%	0.787	S	S	*	*			cis	162.1	111	-11.6	0	0	0	0	0	114.4
627	S	39.2	Very low	43	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	80%	0.802	S	S	*	*			trans	60.7	117.5	169.4	-168.9	0	0	0	0	119.7
628	S	41.6	Very low	43	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	80%	0.8	S	S	*	*				174.6	158.1	118.8	37.4	0	0	0	0	112.4
629	I	47	Very low	43.2	Very low	157 Å²	157	140.5 Å²	140.5	81%	0.805	81%	0.806	S	S	*	*			trans	-128.7	142.3	-179.9	-38.9	175.3	0	0	0	107.3
630	P	48.1	Very low	43.2	Very low	122 Å²	122	143.6 Å²	143.6	79%	0.792	81%	0.813	S	S	*	*				-144.5	155.1	114.8	37.4	-24.2	0	0	0	114.4
631	P	47.4	Very low	43.3	Very low	106 Å²	106	145.3 Å²	145.3	69%	0.688	81%	0.813	S	S	*	*			trans	-101.1	156.9	167.8	38	-31.5	0	0	0	112.8
632	E	49.3	Very low	43.5	Very low	199 Å²	199	145.3 Å²	145.3	93%	0.93	82%	0.82	S	S	*	*			trans	-127.2	160.7	164.6	-70.3	-168.6	139.6	0	0	111
633	I	54.3	Low	44.1	Very low	154 Å²	154	141.2 Å²	141.2	79%	0.79	81%	0.813	S	S	*	*			trans	-143.9	177.5	-163.6	-21.5	177.7	0	0	0	109.6
634	P	46.4	Very low	44.1	Very low	109 Å²	109	143.1 Å²	143.1	71%	0.708	81%	0.812	S	S	*	*				-107.4	168.4	-98.1	39.3	-26.5	0	0	0	114.5
635	D	49.5	Very low	44.3	Very low	168 Å²	168	139.7 Å²	139.7	90%	0.898	81%	0.809	S	S	*	*			trans	-84.8	129.2	160.2	-88	-48.7	0	0	0	112.1
636	T	41.2	Very low	44.3	Very low	125 Å²	125	136.9 Å²	136.9	77%	0.767	80%	0.801	S	S	*	*			trans	-78.2	146.9	167.9	44.6	0	0	0	0	111.9
637	L	39.3	Very low	44.5	Very low	180 Å²	180	143.7 Å²	143.7	94%	0.942	81%	0.81	S	S	*	*			trans	-160.1	148.7	133.6	-108.5	172	0	0	0	110.2
638	A	41.6	Very low	44.4	Very low	93 Å²	93	143.7 Å²	143.7	77%	0.769	81%	0.81	S	S	*	*			trans	-134.5	129.7	-176.6	0	0	0	0	0	111.7
639	M	42.8	Very low	44.4	Very low	163 Å²	163	150 Å²	150	80%	0.803	82%	0.816	S	S	*	*			trans	-147.3	109.5	160.8	-87.1	164.1	56.1	0	0	104.4
640	E	38.6	Very low	43.9	Very low	177 Å²	177	147.8 Å²	147.8	83%	0.827	81%	0.813	S	S	*	*				65.4	81	66.1	-166.5	174.6	-126.9	0	0	112.4
641	F	42.7	Very low	43.6	Very low	197 Å²	197	150.4 Å²	150.4	86%	0.864	82%	0.819	S	S	*	*			trans	-154.3	127.4	142.2	-87.3	-65.4	0	0	0	108.4
642	A	43.3	Very low	43.3	Very low	100 Å²	100	149.9 Å²	149.9	83%	0.826	82%	0.818	S	S	*	*			trans	-143.2	101.6	-180	0	0	0	0	0	110.1
643	D	47.6	Very low	43	Very low	141 Å²	141	147.6 Å²	147.6	75%	0.754	81%	0.812	S	S	*	*			trans	-97.5	120.6	-177.5	-96.9	-26.6	0	0	0	113.3
644	H	47	Very low	42.5	Very low	148 Å²	148	148.7 Å²	148.7	69%	0.685	81%	0.814	S	S	*	*			trans	51.7	116.4	141.1	-65.6	-40.9	0	0	0	122.6
645	N	43.9	Very low	42.3	Very low	154 Å²	154	152.4 Å²	152.4	82%	0.824	82%	0.819	S	S	*	*				58.1	132.5	125.9	-56.2	-38.7	0	0	0	120.5
646	G	40.6	Very low	42	Very low	71 Å²	71	151.4 Å²	151.4	73%	0.732	81%	0.812	S	S	*	*			cis	149.8	168.6	-3.5	0	0	0	0	0	113.9
647	K	42.1	Very low	42.1	Very low	215 Å²	215	150.3 Å²	150.3	94%	0.935	81%	0.81	S	S	*	*			trans	68.1	109.5	169.9	-70.9	174.4	177.9	168	0	119
648	S	38.4	Very low	42	Very low	119 Å²	119	146.2 Å²	146.2	83%	0.832	80%	0.796	S	S	*	*			trans	-64.1	154.4	161.6	-25	0	0	0	0	113.3
649	R	41.1	Very low	42	Very low	253 Å²	253	148 Å²	148	96%	0.955	80%	0.797	S	S	*	*			trans	-163.3	147.5	134.1	-114.3	172.5	-175.8	-178.1	0.4	112.7
650	S	37.5	Very low	41.9	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	80%	0.798	S	S	*	*			trans	-95	148.3	177.7	53.8	0	0	0	0	112.3
651	I	41.9	Very low	42	Very low	177 Å²	177	145.2 Å²	145.2	91%	0.908	79%	0.789	S	S	*	*			trans	-132.6	146.2	152.4	-63.9	-175	0	0	0	107.9
652	S	39.4	Very low	41.8	Very low	96 Å²	96	143 Å²	143	67%	0.671	79%	0.785	S	S	*	*			trans	-112.1	152.9	-173.5	55.6	0	0	0	0	112.6
653	D	43.2	Very low	41.7	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	79%	0.785	S	S	*	*			trans	171.1	157.4	141.2	-85.7	-16.2	0	0	0	106.7
654	Q	44	Very low	41.3	Very low	177 Å²	177	144.8 Å²	144.8	83%	0.827	78%	0.784	S	S	*	*			cis	-151.4	118	22.3	-157.6	170.5	30.7	0	0	112.3
655	K	42.8	Very low	41.1	Very low	188 Å²	188	143.9 Å²	143.9	82%	0.817	79%	0.788	S	S	*	*			trans	13.7	132.9	134.1	-135.2	170.1	-171.6	171.5	0	117.7
656	I	43.7	Very low	40.7	Very low	147 Å²	147	143.9 Å²	143.9	75%	0.754	79%	0.788	S	S	*	*				-172.4	136.4	82.5	-88.5	164.4	0	0	0	112.5
657	S	41.6	Very low	41	Very low	102 Å²	102	150.8 Å²	150.8	71%	0.713	79%	0.794	S	S	*	*			trans	30	151.7	143.6	-50.8	0	0	0	0	124.1
658	S	39.2	Very low	40.9	Very low	93 Å²	93	146.6 Å²	146.6	65%	0.65	79%	0.787	S	S	*	*			cis	-177.4	147.2	-11.1	-95.2	0	0	0	0	112.4
659	T	40.3	Very low	41	Very low	130 Å²	130	148.4 Å²	148.4	80%	0.798	79%	0.787	S	S	*	*			trans	61.2	154.2	152.4	55.3	0	0	0	0	118.9
660	K	41.4	Very low	41	Very low	187 Å²	187	142.6 Å²	142.6	81%	0.813	78%	0.775	S	S	*	*			cis	-170.3	167.4	-3.5	-114.5	-168.7	172.4	-173.9	0	106.9
661	C	39.3	Very low	41.4	Very low	96 Å²	96	144.9 Å²	144.9	65%	0.649	77%	0.773	S	S	*	*			cis	-170.8	155.3	-21.3	-134.6	0	0	0	0	109.3
662	L	40.2	Very low	41.4	Very low	149 Å²	149	143.2 Å²	143.2	78%	0.78	77%	0.766	S	S	*	*			trans	63	157.5	177.3	-76.2	75.6	0	0	0	114.9
663	E	41.1	Very low	41.7	Very low	175 Å²	175	149.7 Å²	149.7	82%	0.818	78%	0.778	S	S	*	*			cis	-138.4	173.6	8.2	-153.9	154.1	-137.5	0	0	111.9
664	S	38.8	Very low	41.8	Very low	105 Å²	105	149.7 Å²	149.7	73%	0.734	77%	0.772	S	S	*	*			trans	-126.3	146.6	-164.8	57.7	0	0	0	0	114.7
665	V	42	Very low	41.7	Very low	128 Å²	128	148.9 Å²	148.9	78%	0.776	77%	0.769	S	S	*	*			trans	-157	129.3	139.2	169.4	0	0	0	0	109.6	Y667	V665-Y667 HydrophobicContact CG1-CD2 3.88Å; V665-Y667 HydrophobicContact CG1-CE2 4.41Å
666	D	35.6	Very low	41.7	Very low	155 Å²	155	149.7 Å²	149.7	83%	0.829	78%	0.775	S	S	*	*			trans	-101	148.8	159.8	-84.3	-59	0	0	0	110
667	Y	48.2	Very low	41.6	Very low	215 Å²	215	148 Å²	148	84%	0.843	78%	0.777	S	S	*	*			trans	-154	126.9	155.4	-99.2	-71.1	0	0	0	112.8	V665	V665-Y667 HydrophobicContact CG1-CD2 3.88Å; V665-Y667 HydrophobicContact CG1-CE2 4.41Å
668	T	38.1	Very low	41.7	Very low	128 Å²	128	151.3 Å²	151.3	79%	0.785	79%	0.785	S	S	*	*			trans	-139.7	171.2	159.2	45.8	0	0	0	0	108.2
669	N	41.8	Very low	42.1	Very low	157 Å²	157	150.8 Å²	150.8	84%	0.84	79%	0.787	S	S	*	*			trans	79.8	147.9	-165.3	-65.8	-9.4	0	0	0	115.5
670	D	39.8	Very low	42.3	Very low	130 Å²	130	149.8 Å²	149.8	70%	0.695	79%	0.785	S	S	*	*			cis	-168.5	175.1	-21.8	-175.3	25.9	0	0	0	109.1
671	Q	46.4	Very low	42.7	Very low	158 Å²	158	145 Å²	145	74%	0.738	78%	0.781	S	S	*	*			trans	91.7	116.6	157.4	-53.6	-160.6	-6.5	0	0	121.7
672	N	41.6	Very low	43.2	Very low	142 Å²	142	149.5 Å²	149.5	76%	0.759	79%	0.785	S	S	*	*			trans	-33.3	155.7	155.1	-63.6	-74.6	0	0	0	117.5
673	Y	46.1	Very low	43.8	Very low	232 Å²	232	150.9 Å²	150.9	91%	0.91	79%	0.785	S	S	*	*				-154.1	167.8	123.9	-110.1	-73.1	0	0	0	112.2
674	H	46.1	Very low	44.3	Very low	149 Å²	149	147.8 Å²	147.8	69%	0.69	78%	0.78	S	S	*	*			trans	-91.5	151.7	-162	-98.1	-117.5	0	0	0	116.8
675	Q	41.5	Very low	44.9	Very low	161 Å²	161	151.6 Å²	151.6	75%	0.752	79%	0.786	S	S	*	*			trans	17.3	134.5	142.7	-59.5	170.8	-60.7	0	0	120.7
676	Q	42.8	Very low	45.5	Very low	205 Å²	205	152 Å²	152	96%	0.958	79%	0.789	S	S	*	*				-159.7	172.9	109.2	-108.5	174.3	27.8	0	0	112.6
677	S	42.5	Very low	46.5	Very low	111 Å²	111	150.1 Å²	150.1	78%	0.776	79%	0.788	S	S	*	*			trans	-118.1	146.6	-166.6	-177.8	0	0	0	0	112.5
678	L	43.8	Very low	46.8	Very low	172 Å²	172	151.4 Å²	151.4	90%	0.901	81%	0.808	S	S	*	*			trans	-177	167.8	157.3	-99.1	173.5	0	0	0	109
679	A	46	Very low	47.2	Very low	82 Å²	82	152.6 Å²	152.6	68%	0.678	81%	0.809	S	S	*	*				-160.4	146.7	-83.6	0	0	0	0	0	111.2
680	S	44.8	Very low	47.5	Very low	109 Å²	109	152.4 Å²	152.4	76%	0.762	81%	0.808	S	S	*	*			trans	62.3	113.2	154.3	-161.3	0	0	0	0	122.8
681	A	50.9	Low	48	Very low	87 Å²	87	153.6 Å²	153.6	72%	0.719	81%	0.814	S	S	*	*			trans	-179.3	126.5	135	0	0	0	0	0	108.8
682	Y	49.6	Very low	48.1	Very low	190 Å²	190	153.4 Å²	153.4	75%	0.745	82%	0.818	S	S	*	*				58.4	129.4	70	-78.3	-69.6	0	0	0	113.7
683	F	51.6	Low	48.5	Very low	178 Å²	178	154.1 Å²	154.1	78%	0.781	82%	0.822	S	S	*	*			cis	-150.4	160	13.7	-110.4	-77.6	0	0	0	111.7
684	P	53.2	Low	48.6	Very low	109 Å²	109	148.9 Å²	148.9	71%	0.708	82%	0.816	S	S	*	*			trans	-107.4	-176	163.9	39.5	-34.3	0	0	0	114.4
685	Q	50	Low	48.8	Very low	185 Å²	185	148.9 Å²	148.9	86%	0.864	83%	0.825	S	S	*	*			trans	83.5	152.6	-170	-53.8	-172	-4.1	0	0	113.4
686	V	54.8	Low	49.4	Very low	138 Å²	138	147.9 Å²	147.9	84%	0.836	83%	0.831	S	S	*	*			cis	-131.3	160.5	21.2	178.3	0	0	0	0	112
687	S	57.4	Low	49.9	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	82%	0.82	S	S	*	*			trans	-75.1	151.1	-177.6	-40.9	0	0	0	0	116.2
688	L	54.6	Low	50.6	Low	242 Å²	242	146.1 Å²	146.1	100%	1.267	82%	0.824	S	S	*	*			trans	-150.9	0	132.9	-125.2	170.2	0	0	0	109.6

Retrieved 688 of 688 residues in 912.1 ms (Link to these results)

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