A0A077Z1R3_TRITR Loading...

Folliculin

AlphaFold DB , UniProt , Accession A0A077Z1R3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 646 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.4	Low	90.6	Very high	78 Å²	78	23.7 Å²	23.7	38%	0.384	12%	0.12	S	C	.	.				0	125.3	0	179	-172.8	158.5	0	0	107	V4 V156 I159 V214 M216	M1-V4 HydrophobicContact CE-CB 3.9Å; M1-V4 HydrophobicContact CE-CG2 3.31Å; M1-V156 HydrophobicContact CE-CB 4.48Å; M1-V156 HydrophobicContact CE-CG1 3.62Å; M1-V156 HydrophobicContact CE-CG2 4.4Å; M1-V156 HydrophobicContact CG-CG2 4.31Å; M1-V156 HydrophobicContact SD-CG1 4.39Å; M1-V156 HydrophobicContact SD-CG2 4.19Å; M1-I159 HydrophobicContact CE-CG2 4.32Å; M1-I159 HydrophobicContact SD-CD1 3.99Å; M1-I159 HydrophobicContact SD-CG2 4.17Å; M1-V214 HydrophobicContact CE-CG1 4.49Å; M1-M216 HydrophobicContact CB-CB 4.37Å; M1-M216 HydrophobicContact CB-CG 3.67Å
2	N	79.8	Confident	90.1	Very high	75 Å²	75	30.4 Å²	30.4	40%	0.401	15%	0.15	S	C	.	.			trans	-68.1	160.5	172.6	-63.1	-24.2	0	0	0	110.6	V4 P24 H26	N2-V4 PolarHBondContact O-N 3.03Å; N2-P24 HydrophobicContact CB-CG 3.56Å; N2-H26 PolarHBondContact ND2-CD2 3.41Å; N2-H26 PolarHBondContact ND2-NE2 3.49Å
3	A	91.9	Very high	89.9	Confident	9 Å²	9	34.4 Å²	34.4	7%	0.074	17%	0.171	C	C	.	.			trans	-57	137.9	176.2	0	0	0	0	0	111.4	P24 V213 V214 L220 L311	A3-P24 VanDerWaalsContact O-CD 3.26Å; A3-P24 WeakPolarHBondContact O-CD 3.5Å; A3-V213 HydrophobicContact CB-CG1 4.24Å; A3-V214 CarbonylContact C-O 3.24Å; A3-V214 VanDerWaalsContact CA-O 3.26Å; A3-V214 WeakPolarHBondContact CA-O 3.38Å; A3-L220 HydrophobicContact CB-CD2 3.96Å; A3-L311 HydrophobicContact CB-CD2 3.77Å; A3-L311 WeakPolarHBondContact O-CD2 3.21Å
4	V	96	Very high	89.9	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.1	172.6	176.6	0	0	0	0	108.1	M1 N2 C21 Q23 V156 V160 V213 V214	M1-V4 HydrophobicContact CE-CB 3.9Å; M1-V4 HydrophobicContact CE-CG2 3.31Å; N2-V4 PolarHBondContact O-N 3.03Å; V4-C21 HydrophobicContact CG1-CB 4.31Å; V4-Q23 HydrophobicContact CB-CB 4.49Å; V4-Q23 HydrophobicContact CG1-CB 4.31Å; V4-Q23 HydrophobicContact CG2-CB 3.71Å; V4-V156 HydrophobicContact CG2-CG1 4.05Å; V4-V160 HydrophobicContact CB-CG2 4.3Å; V4-V160 HydrophobicContact CG1-CG2 3.89Å; V4-V213 CarbonylContact O-C 3.18Å; V4-V213 WeakPolarHBondContact O-CA 3.48Å; V4-V214 PolarHBondContact N-O 3.4Å; V4-V214 PolarHBondContact O-N 2.79Å
5	V	97.9	Very high	89.9	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.3	175	-171.2	0	0	0	0	108.7	C21 C22 I211 I212 V213 F307 I310 L311	V5-C21 CarbonylContact O-C 3.6Å; V5-C21 VanDerWaalsContact O-CA 3.24Å; V5-C21 WeakPolarHBondContact O-CA 3.46Å; V5-C22 PolarHBondContact N-O 3.37Å; V5-C22 PolarHBondContact O-N 2.97Å; V5-I211 HydrophobicContact CG1-CG2 3.96Å; V5-I212 CarbonylContact C-O 3.59Å; V5-I212 VanDerWaalsContact CA-O 3.28Å; V5-I212 WeakPolarHBondContact CA-O 3.44Å; V5-V213 HydrophobicContact CG1-CG2 4.35Å; V5-V213 HydrophobicContact CG2-CG1 4.41Å; V5-V213 HydrophobicContact CG2-CG2 4.19Å; V5-F307 HydrophobicContact CB-CB 4.07Å; V5-F307 HydrophobicContact CB-CD1 4.27Å; V5-F307 HydrophobicContact CB-CD2 4.13Å; V5-F307 HydrophobicContact CB-CG 3.92Å; V5-F307 HydrophobicContact CG1-CB 4.22Å; V5-F307 HydrophobicContact CG1-CD1 3.47Å; V5-F307 VanDerWaalsContact CG1-CD1 3.47Å; V5-F307 HydrophobicContact CG1-CD2 3.93Å; V5-F307 HydrophobicContact CG1-CE1 3.68Å; V5-F307 HydrophobicContact CG1-CE2 4.1Å; V5-F307 HydrophobicContact CG1-CG 3.61Å; V5-F307 HydrophobicContact CG1-CZ 3.98Å; V5-I310 HydrophobicContact CG2-CG2 4.25Å; V5-L311 HydrophobicContact CG2-CD1 4.32Å; V5-L311 HydrophobicContact CG2-CD2 3.8Å; V5-L311 HydrophobicContact CG2-CG 3.81Å
6	A	98.2	Very high	90.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.6	178.2	0	0	0	0	0	113.1	V18 F20 C21 V160 I211 I212	A6-V18 HydrophobicContact CB-CG1 4.25Å; A6-F20 CarbonylContact C-O 3.59Å; A6-F20 WeakPolarHBondContact CA-O 3.4Å; A6-F20 WeakPolarHBondContact CB-O 3.46Å; A6-C21 HydrophobicContact CB-CB 3.71Å; A6-V160 HydrophobicContact CB-CG1 4.07Å; A6-I211 CarbonylContact O-C 3.56Å; A6-I211 WeakPolarHBondContact O-CA 3.48Å; A6-I212 HydrophobicContact CB-CD1 4.18Å; A6-I212 HydrophobicContact CB-CG1 3.78Å; A6-I212 PolarHBondContact N-O 2.94Å; A6-I212 PolarHBondContact O-N 3.16Å
7	L	98.3	Very high	90.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.1	166.2	-176.9	67.6	0	0	0	109.3	L19 F20 F195 Y209 I211 L290 L303 F307	L7-L19 HydrophobicContact CD2-CB 4.46Å; L7-L19 HydrophobicContact CD2-CD1 4.06Å; L7-L19 HydrophobicContact CG-CB 4.45Å; L7-L19 HydrophobicContact CG-CD1 4.27Å; L7-L19 WeakPolarHBondContact O-CB 3.28Å; L7-L19 PolarHBondContact O-N 3.36Å; L7-F20 PolarHBondContact N-O 3.07Å; L7-F20 PolarHBondContact O-N 3.07Å; L7-F195 HydrophobicContact CD1-CZ 4.38Å; L7-Y209 HydrophobicContact CD1-CD1 4.05Å; L7-Y209 HydrophobicContact CD2-CD1 4.44Å; L7-Y209 HydrophobicContact CG-CD1 4.33Å; L7-I211 HydrophobicContact CD1-CG1 3.63Å; L7-L290 HydrophobicContact CD2-CD2 3.61Å; L7-L303 HydrophobicContact CD2-CD1 3.81Å; L7-F307 HydrophobicContact CB-CE2 4.44Å; L7-F307 HydrophobicContact CB-CZ 4.15Å
8	C	97.6	Very high	90.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.3	178.2	-55.9	0	0	0	0	110.3	R17 C164 L168 Y209 S210	C8-R17 VanDerWaalsContact CA-O 3.27Å; C8-R17 WeakPolarHBondContact CA-O 3.33Å; C8-C164 HydrophobicContact CB-CB 4.32Å; C8-C164 VanDerWaalsContact SG-CB 3.59Å; C8-L168 HydrophobicContact CB-CD1 3.85Å; C8-Y209 WeakPolarHBondContact O-CA 3.3Å; C8-S210 PolarHBondContact N-O 2.99Å; C8-S210 PolarHBondContact O-N 2.94Å
9	H	95.7	Very high	90.9	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.7	170.4	76.7	-5.1	0	0	0	112.1	P16 R17 L19 A123 C124 L168 L208 Y209	H9-P16 CarbonylContact O-C 3.38Å; H9-P16 WeakPolarHBondContact O-CA 3.02Å; H9-R17 PolarHBondContact N-O 3.33Å; H9-R17 PolarHBondContact O-N 3.21Å; H9-L19 HydrophobicContact CB-CD1 3.94Å; H9-L19 HydrophobicContact CB-CG 4.43Å; H9-A123 PolarHBondContact NE2-O 3.22Å; H9-C124 VanDerWaalsContact CE1-SG 3.55Å; H9-L168 WeakPolarHBondContact O-CD1 3.5Å; H9-L208 WeakPolarHBondContact CA-O 3.18Å; H9-Y209 HydrophobicContact CB-CD1 3.73Å; H9-Y209 HydrophobicContact CB-CD2 4.33Å; H9-Y209 HydrophobicContact CB-CE1 3.64Å; H9-Y209 HydrophobicContact CB-CE2 4.23Å; H9-Y209 HydrophobicContact CB-CG 4.09Å
10	F	93.5	Very high	91.2	Very high	85 Å²	85	28.9 Å²	28.9	37%	0.373	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	107.8	167.3	-167.6	-81	0	0	0	109.9	P16 L208	F10-P16 HydrophobicContact CD2-CG 3.89Å; F10-P16 HydrophobicContact CE2-CG 4.01Å; F10-L208 HydrophobicContact CB-CB 4.3Å; F10-L208 PolarHBondContact N-O 2.97Å
11	C	90.8	Very high	91.4	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.034	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.1	173.8	-178.6	0	0	0	0	110.8	I13 H14 G15 C121	C11-I13 PolarHBondContact O-N 3.41Å; C11-I13 PolarHBondContact SG-N 2.87Å; C11-H14 HydrophobicContact CB-CB 4.06Å; C11-H14 PolarHBondContact O-N 3.04Å; C11-H14 PolarHBondContact SG-ND1 3.07Å; C11-H14 VanDerWaalsContact SG-ND1 3.43Å; C11-G15 WeakPolarHBondContact CB-O 3.42Å; C11-G15 PolarHBondContact N-O 3.08Å; C11-G15 WeakPolarHBondContact O-CA 3.16Å; C11-G15 PolarHBondContact O-N 3.22Å; C11-C121 VanDerWaalsContact SG-SG 3.66Å
12	E	84.6	Confident	93.2	Very high	104 Å²	104	23.8 Å²	23.8	49%	0.486	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.5	177.6	-62	-172.3	172.6	0	0	113.4
13	I	87	Confident	93.9	Very high	82 Å²	82	20.8 Å²	20.8	42%	0.421	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-45	178.4	-57.2	178	0	0	0	111.3	C11 C121 P287	C11-I13 PolarHBondContact O-N 3.41Å; C11-I13 PolarHBondContact SG-N 2.87Å; I13-C121 HydrophobicContact CD1-CB 4.3Å; I13-P287 HydrophobicContact CD1-CG 3.89Å; I13-P287 HydrophobicContact CG1-CG 4.48Å
14	H	89.6	Confident	93.9	Very high	46 Å²	46	20.9 Å²	20.9	21%	0.213	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-4	-167.5	-57.5	105.7	0	0	0	114.6	C11 R17 D119 C121 C124	C11-H14 HydrophobicContact CB-CB 4.06Å; C11-H14 PolarHBondContact O-N 3.04Å; C11-H14 PolarHBondContact SG-ND1 3.07Å; C11-H14 VanDerWaalsContact SG-ND1 3.43Å; H14-R17 HydrophobicContact CB-CG 3.92Å; H14-D119 PolarHBondContact NE2-O 2.98Å; H14-C121 PolarHBondContact CE1-N 2.59Å; H14-C121 VanDerWaalsContact CE1-N 3.32Å; H14-C121 PolarHBondContact CE1-SG 3.02Å; H14-C121 PolarHBondContact ND1-SG 3.16Å; H14-C124 PolarHBondContact ND1-SG 3.33Å; H14-C124 VanDerWaalsContact ND1-SG 3.41Å
15	G	91	Very high	93.5	Very high	17 Å²	17	22.7 Å²	22.7	18%	0.175	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	-155.7	-170	0	0	0	0	0	112.7	C11 R17	C11-G15 WeakPolarHBondContact CB-O 3.42Å; C11-G15 PolarHBondContact N-O 3.08Å; C11-G15 WeakPolarHBondContact O-CA 3.16Å; C11-G15 PolarHBondContact O-N 3.22Å; G15-R17 PolarHBondContact O-N 2.89Å
16	P	94.9	Very high	92.9	Very high	14 Å²	14	26 Å²	26	9%	0.091	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	129.8	179	-19	29.6	0	0	0	111	H9 F10 R161 L165 L168 S169	H9-P16 CarbonylContact O-C 3.38Å; H9-P16 WeakPolarHBondContact O-CA 3.02Å; F10-P16 HydrophobicContact CD2-CG 3.89Å; F10-P16 HydrophobicContact CE2-CG 4.01Å; P16-R161 PolarHBondContact O-NH1 3.33Å; P16-R161 PolarHBondContact O-NH2 3.4Å; P16-L165 HydrophobicContact CB-CD2 4.06Å; P16-L165 HydrophobicContact CG-CD2 4Å; P16-L168 HydrophobicContact CB-CB 4.18Å; P16-L168 HydrophobicContact CB-CD1 3.94Å; P16-L168 HydrophobicContact CG-CB 4.4Å; P16-S169 WeakPolarHBondContact CG-OG 3.28Å
17	R	94	Very high	91.7	Very high	51 Å²	51	30.5 Å²	30.5	19%	0.192	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.1	178.9	-74.9	-67.3	-176	149.7	4.2	111.6	C8 H9 H14 G15	C8-R17 VanDerWaalsContact CA-O 3.27Å; C8-R17 WeakPolarHBondContact CA-O 3.33Å; H9-R17 PolarHBondContact N-O 3.33Å; H9-R17 PolarHBondContact O-N 3.21Å; H14-R17 HydrophobicContact CB-CG 3.92Å; G15-R17 PolarHBondContact O-N 2.89Å
18	V	94.9	Very high	89.8	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126	168.3	-177.7	0	0	0	0	107.3	A6 F150 V160 C164	A6-V18 HydrophobicContact CB-CG1 4.25Å; V18-F150 HydrophobicContact CB-CD1 4.25Å; V18-F150 HydrophobicContact CB-CE1 4.12Å; V18-F150 HydrophobicContact CG1-CD1 4.48Å; V18-V160 HydrophobicContact CG1-CG1 4.29Å; V18-V160 HydrophobicContact CG2-CG1 3.96Å; V18-C164 HydrophobicContact CG2-CB 3.76Å
19	L	94.7	Very high	87.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-47.1	177.1	-73.2	179.7	0	0	0	111.4	L7 H9 A123 S126 Q149 Y209	L7-L19 HydrophobicContact CD2-CB 4.46Å; L7-L19 HydrophobicContact CD2-CD1 4.06Å; L7-L19 HydrophobicContact CG-CB 4.45Å; L7-L19 HydrophobicContact CG-CD1 4.27Å; L7-L19 WeakPolarHBondContact O-CB 3.28Å; L7-L19 PolarHBondContact O-N 3.36Å; H9-L19 HydrophobicContact CB-CD1 3.94Å; H9-L19 HydrophobicContact CB-CG 4.43Å; L19-A123 VanDerWaalsContact CD2-O 3.28Å; L19-A123 WeakPolarHBondContact CD2-O 3.48Å; L19-S126 WeakPolarHBondContact O-CB 3.14Å; L19-S126 PolarHBondContact O-OG 2.8Å; L19-Q149 WeakPolarHBondContact O-CG 3.3Å; L19-Y209 HydrophobicContact CD1-CD1 4.22Å; L19-Y209 HydrophobicContact CD1-CE1 3.53Å
20	F	96.3	Very high	84.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141	-173.1	-175.1	-101.5	0	0	0	109.4	A6 L7 F134 S148 Y300 N304 F307	A6-F20 CarbonylContact C-O 3.59Å; A6-F20 WeakPolarHBondContact CA-O 3.4Å; A6-F20 WeakPolarHBondContact CB-O 3.46Å; L7-F20 PolarHBondContact N-O 3.07Å; L7-F20 PolarHBondContact O-N 3.07Å; F20-F134 AromaticContact CE2-CD2 3.83Å; F20-F134 HydrophobicContact CE2-CD2 3.83Å; F20-F134 AromaticContact CE2-CE2 3.91Å; F20-F134 HydrophobicContact CE2-CE2 3.91Å; F20-F134 AromaticContact CZ-CD2 3.7Å; F20-F134 HydrophobicContact CZ-CD2 3.7Å; F20-F134 HydrophobicContact CZ-CE2 4.05Å; F20-S148 WeakPolarHBondContact CD2-O 3.27Å; F20-Y300 HydrophobicContact CB-CD1 3.94Å; F20-Y300 HydrophobicContact CB-CE1 4.08Å; F20-Y300 HydrophobicContact CD2-CD1 4.24Å; F20-Y300 HydrophobicContact CG-CD1 4.04Å; F20-N304 HydrophobicContact CE1-CB 3.88Å; F20-N304 HydrophobicContact CZ-CB 3.77Å; F20-F307 HydrophobicContact CD1-CD2 4.06Å; F20-F307 AromaticContact CD1-CE2 3.87Å; F20-F307 HydrophobicContact CD1-CE2 3.87Å; F20-F307 HydrophobicContact CE1-CD2 4.15Å; F20-F307 HydrophobicContact CE1-CE2 4.42Å
21	C	96	Very high	82	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.4	177.3	69.5	0	0	0	0	111.5	V4 V5 A6 G147 S148 P151	V4-C21 HydrophobicContact CG1-CB 4.31Å; V5-C21 CarbonylContact O-C 3.6Å; V5-C21 VanDerWaalsContact O-CA 3.24Å; V5-C21 WeakPolarHBondContact O-CA 3.46Å; A6-C21 HydrophobicContact CB-CB 3.71Å; C21-G147 CarbonylContact O-C 3.57Å; C21-G147 VanDerWaalsContact O-CA 3.24Å; C21-G147 WeakPolarHBondContact O-CA 3.27Å; C21-S148 PolarHBondContact N-O 3.3Å; C21-S148 PolarHBondContact O-N 3Å; C21-S148 VanDerWaalsContact O-O 3.1Å; C21-S148 PolarHBondContact SG-O 2.97Å; C21-S148 VanDerWaalsContact SG-O 3.41Å; C21-P151 VanDerWaalsContact SG-CD 3.52Å; C21-P151 VanDerWaalsContact SG-N 3.4Å
22	C	95.5	Very high	79.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.2	172.8	-170	0	0	0	0	109.8	V5 V146 F307 L311	V5-C22 PolarHBondContact N-O 3.37Å; V5-C22 PolarHBondContact O-N 2.97Å; C22-V146 WeakPolarHBondContact CA-O 3.35Å; C22-F307 HydrophobicContact CB-CB 3.54Å; C22-F307 HydrophobicContact CB-CD2 3.91Å; C22-F307 HydrophobicContact CB-CG 4.25Å; C22-L311 HydrophobicContact CB-CD1 4.39Å
23	Q	93.4	Very high	76.8	Confident	11 Å²	11	57.9 Å²	57.9	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.1	-179.8	69.2	-171	-41.2	0	0	112.1	V4 Y25 Y145 V146	V4-Q23 HydrophobicContact CB-CB 4.49Å; V4-Q23 HydrophobicContact CG1-CB 4.31Å; V4-Q23 HydrophobicContact CG2-CB 3.71Å; Q23-Y25 VanDerWaalsContact CD-OH 3.26Å; Q23-Y25 HydrophobicContact CG-CD2 4.28Å; Q23-Y25 HydrophobicContact CG-CE2 3.48Å; Q23-Y25 VanDerWaalsContact CG-CE2 3.48Å; Q23-Y25 PolarHBondContact NE2-OH 3.13Å; Q23-Y145 WeakPolarHBondContact O-CA 3.2Å; Q23-V146 PolarHBondContact N-O 3.45Å; Q23-V146 VanDerWaalsContact N-O 3.1Å; Q23-V146 PolarHBondContact O-N 3.21Å
24	P	91.9	Very high	74.1	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.071	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	143.7	177	34.2	-31.4	0	0	0	112.8	N2 A3 I143 S144 Y145	N2-P24 HydrophobicContact CB-CG 3.56Å; A3-P24 VanDerWaalsContact O-CD 3.26Å; A3-P24 WeakPolarHBondContact O-CD 3.5Å; P24-I143 HydrophobicContact CB-CG2 3.66Å; P24-S144 CarbonylContact C-O 3.52Å; P24-Y145 HydrophobicContact CB-CD1 3.88Å; P24-Y145 HydrophobicContact CB-CE1 3.78Å
25	Y	88.7	Confident	71.2	Confident	41 Å²	41	66.8 Å²	66.8	16%	0.161	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129	172.3	-68.1	-96.2	0	0	0	109.6	Q23 F66 I143 S144 V146	Q23-Y25 VanDerWaalsContact CD-OH 3.26Å; Q23-Y25 HydrophobicContact CG-CD2 4.28Å; Q23-Y25 HydrophobicContact CG-CE2 3.48Å; Q23-Y25 VanDerWaalsContact CG-CE2 3.48Å; Q23-Y25 PolarHBondContact NE2-OH 3.13Å; Y25-F66 HydrophobicContact CD1-CZ 4.04Å; Y25-F66 HydrophobicContact CD2-CE2 4.22Å; Y25-F66 HydrophobicContact CD2-CZ 4.2Å; Y25-F66 HydrophobicContact CG-CE2 4.17Å; Y25-F66 AromaticContact CG-CZ 3.86Å; Y25-F66 HydrophobicContact CG-CZ 3.86Å; Y25-I143 CarbonylContact O-C 3.54Å; Y25-I143 WeakPolarHBondContact O-CA 3.35Å; Y25-S144 PolarHBondContact N-O 2.79Å; Y25-S144 PolarHBondContact O-N 3.26Å; Y25-V146 HydrophobicContact CD2-CB 4.27Å; Y25-V146 HydrophobicContact CD2-CG2 3.65Å; Y25-V146 HydrophobicContact CE2-CB 3.87Å; Y25-V146 HydrophobicContact CE2-CG2 3.64Å
26	H	83.4	Confident	68.3	Low	70 Å²	70	71.3 Å²	71.3	32%	0.324	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	150.7	-177.9	-63.8	-103.7	0	0	0	111.4	N2 E28 Y67 I143	N2-H26 PolarHBondContact ND2-CD2 3.41Å; N2-H26 PolarHBondContact ND2-NE2 3.49Å; H26-E28 PolarHBondContact O-N 2.93Å; H26-Y67 CarbonylContact C-O 3.52Å; H26-I143 VanDerWaalsContact CE1-CD1 3.4Å; H26-I143 WeakPolarHBondContact CE1-CD1 3.44Å
27	E	74.8	Confident	65	Low	94 Å²	94	80 Å²	80	44%	0.439	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-61.5	124.3	167.5	-160.1	176.7	-162.7	0	0	109.4	A29 Y67 R142	E27-A29 PolarHBondContact O-N 3.38Å; E27-Y67 WeakPolarHBondContact CA-O 3.1Å; E27-Y67 HydrophobicContact CB-CD1 3.85Å; E27-Y67 HydrophobicContact CB-CG 4.46Å; E27-Y67 HydrophobicContact CG-CD1 4.1Å; E27-Y67 PolarHBondContact N-O 2.89Å; E27-R142 HydrophobicContact CB-CB 4.43Å; E27-R142 PolarHBondContact N-O 2.87Å; E27-R142 IonicContact OE1-NH1 3.41Å; E27-R142 WeakPolarHBondContact OE2-CD 3.41Å; E27-R142 IonicContact OE2-CZ 3.53Å; E27-R142 IonicContact OE2-NE 3.53Å; E27-R142 IonicContact OE2-NH1 3.25Å; E27-R142 PolarHBondContact OE2-NH1 3.4Å
28	E	57.9	Low	61.8	Low	126 Å²	126	82.7 Å²	82.7	59%	0.589	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-65.1	135.2	171	-77.5	-173.4	166.7	0	0	109.3	H26 K69	H26-E28 PolarHBondContact O-N 2.93Å; E28-K69 VanDerWaalsContact CD-CE 3.46Å; E28-K69 WeakPolarHBondContact OE1-CE 3.47Å; E28-K69 IonicContact OE1-NZ 3.39Å; E28-K69 PolarHBondContact OE1-NZ 3.48Å; E28-K69 VanDerWaalsContact OE2-CE 3.32Å; E28-K69 WeakPolarHBondContact OE2-CE 3.47Å; E28-K69 IonicContact OE2-NZ 3.11Å
29	A	45.8	Very low	59	Low	78 Å²	78	88.3 Å²	88.3	65%	0.645	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-59	141.6	172.5	0	0	0	0	0	109.8	E27 V31	E27-A29 PolarHBondContact O-N 3.38Å; A29-V31 PolarHBondContact O-N 3.49Å
30	P	35.2	Very low	55.8	Low	111 Å²	111	93.9 Å²	93.9	72%	0.721	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-52.3	131.8	179.7	-20.3	26.7	0	0	0	111.1	H32 L33	P30-H32 PolarHBondContact O-N 3.49Å; P30-L33 PolarHBondContact O-N 3.27Å
31	V	42.5	Very low	53	Low	108 Å²	108	99 Å²	99	66%	0.655	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-54.4	-14.2	-174.9	179.5	0	0	0	0	113.7	A29 L33 Q34	A29-V31 PolarHBondContact O-N 3.49Å; V31-L33 PolarHBondContact O-N 3.41Å; V31-Q34 PolarHBondContact O-N 3.32Å; V31-Q34 VanDerWaalsContact O-N 3.08Å
32	H	34.8	Very low	49.6	Very low	190 Å²	190	106.7 Å²	106.7	88%	0.88	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-65.1	-7.8	-179.6	-109.1	-66.9	0	0	0	116.2	P30	P30-H32 PolarHBondContact O-N 3.49Å
33	L	31.2	Very low	46.3	Very low	162 Å²	162	111.7 Å²	111.7	85%	0.848	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-105.5	1.9	172.8	-75.2	167.3	0	0	0	114.6	P30 V31 L35	P30-L33 PolarHBondContact O-N 3.27Å; V31-L33 PolarHBondContact O-N 3.41Å; L33-L35 PolarHBondContact O-N 3.32Å; L33-L35 VanDerWaalsContact O-N 3.09Å
34	Q	29.3	Very low	43.3	Very low	152 Å²	152	117.3 Å²	117.3	71%	0.71	67%	0.671	S	S	*	*			trans	-80.4	95	167.7	-66.8	-169.7	3.9	0	0	108.5	V31 S36	V31-Q34 PolarHBondContact O-N 3.32Å; V31-Q34 VanDerWaalsContact O-N 3.08Å; Q34-S36 PolarHBondContact O-N 3.38Å
35	L	28.2	Very low	40.5	Very low	164 Å²	164	121.6 Å²	121.6	86%	0.859	70%	0.698	S	S	*	*			trans	-58.4	80.6	171.7	-161.8	79	0	0	0	109.2	L33 K37	L33-L35 PolarHBondContact O-N 3.32Å; L33-L35 VanDerWaalsContact O-N 3.09Å; L35-K37 PolarHBondContact O-N 3.32Å
36	S	30.9	Very low	37.5	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	73%	0.732	S	S	*	*			trans	-71.4	101.1	178.3	45.1	0	0	0	0	108.6	Q34 S38	Q34-S36 PolarHBondContact O-N 3.38Å; S36-S38 PolarHBondContact O-N 2.63Å; S36-S38 VanDerWaalsContact O-N 3.1Å
37	K	26.1	Very low	35.3	Very low	196 Å²	196	130.9 Å²	130.9	85%	0.852	75%	0.75	S	S	*	*			trans	-59.5	98.8	161.3	-72.2	172.4	173.6	174.7	0	109.4	L35	L35-K37 PolarHBondContact O-N 3.32Å
38	S	26.3	Very low	33.2	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	77%	0.767	S	S	*	*			trans	180	143.6	137.9	52.7	0	0	0	0	111.7	S36	S36-S38 PolarHBondContact O-N 2.63Å; S36-S38 VanDerWaalsContact O-N 3.1Å
39	P	35.2	Very low	31.9	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	78%	0.783	S	S	*	*			trans	-95.2	148.6	-170.4	37.1	-31	0	0	0	112.4
40	S	27.7	Very low	31	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	80%	0.795	S	S	*	*			trans	155.3	164	145.4	60.7	0	0	0	0	111.1
41	P	37.7	Very low	30.5	Very low	107 Å²	107	146 Å²	146	70%	0.695	80%	0.803	S	S	*	*				-126.4	165.1	-98.4	20.2	5	0	0	0	114.8
42	L	25.9	Very low	29.8	Very low	162 Å²	162	145 Å²	145	85%	0.848	81%	0.807	S	S	*	*			trans	64.9	94.3	153.5	-65.2	165.6	0	0	0	117.2
43	A	25.6	Very low	29.6	Very low	104 Å²	104	141.7 Å²	141.7	86%	0.86	80%	0.802	S	S	*	*			trans	-55.8	127.8	160	0	0	0	0	0	111.6
44	V	29.4	Very low	29.3	Very low	130 Å²	130	140.3 Å²	140.3	79%	0.788	81%	0.805	S	S	*	*			trans	-124	134	159.8	-177	0	0	0	0	107.7
45	P	32.9	Very low	29.1	Very low	100 Å²	100	141 Å²	141	65%	0.649	81%	0.813	S	S	*	*			trans	-114.5	123.3	-162.3	32.4	-16.3	0	0	0	113.5
46	F	26.3	Very low	28.9	Very low	200 Å²	200	136 Å²	136	88%	0.877	80%	0.802	S	S	*	*			trans	-171.4	164.6	164.1	-83.1	-67.8	0	0	0	110.6
47	P	36.9	Very low	28.8	Very low	107 Å²	107	136 Å²	136	70%	0.695	81%	0.809	S	S	*	*			cis	-127.3	-173.5	-47.2	41.3	-24.9	0	0	0	110.5
48	P	31.1	Very low	28.9	Very low	124 Å²	124	132.7 Å²	132.7	81%	0.805	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.5	139.7	-159.9	33.7	-30.4	0	0	0	113.4
49	E	30.7	Very low	28.9	Very low	194 Å²	194	134.8 Å²	134.8	91%	0.907	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64.9	132	174.6	-76.2	177.1	150.3	0	0	110.8
50	R	27.9	Very low	28.6	Very low	239 Å²	239	134.6 Å²	134.6	90%	0.902	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-95.9	116	-175.6	-160.9	176.5	178.2	-175.4	-1.5	107.1	A52	R50-A52 PolarHBondContact O-N 3.19Å
51	D	24.2	Very low	28.8	Very low	168 Å²	168	138 Å²	138	90%	0.898	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-53.4	124.8	174	-67.3	-55.9	0	0	0	111.3
52	A	28.2	Very low	28.7	Very low	89 Å²	89	137.3 Å²	137.3	74%	0.736	81%	0.807	S	S	*	*			trans	-137.6	145	164.3	0	0	0	0	0	109.4	R50	R50-A52 PolarHBondContact O-N 3.19Å
53	P	30.6	Very low	29.7	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	81%	0.807	S	S	*	*			trans	-92.2	148.2	-141.9	33.7	-32.5	0	0	0	114.4	D55	P53-D55 PolarHBondContact O-N 3.09Å
54	C	24.5	Very low	31	Very low	133 Å²	133	138.5 Å²	138.5	90%	0.899	80%	0.801	S	S	*	*			trans	-71.8	96.9	178.4	-49.6	0	0	0	0	111.3
55	D	23.9	Very low	32.7	Very low	165 Å²	165	133.9 Å²	133.9	88%	0.882	78%	0.78	S	S	*	*			trans	-112.7	115.3	159.8	-87.7	-32.3	0	0	0	108.9	P53	P53-D55 PolarHBondContact O-N 3.09Å
56	G	25.8	Very low	34.9	Very low	60 Å²	60	130.4 Å²	130.4	62%	0.619	75%	0.754	S	S	*	*			trans	156.4	70	177.6	0	0	0	0	0	112.6	T58	G56-T58 VanDerWaalsContact C-N 3.27Å; G56-T58 PolarHBondContact O-N 3.24Å
57	A	27.1	Very low	37.3	Very low	113 Å²	113	122.7 Å²	122.7	93%	0.934	72%	0.72	S	S	*	*			trans	-55.9	89.8	168.3	0	0	0	0	0	110.3
58	T	28.9	Very low	38.8	Very low	126 Å²	126	118.5 Å²	118.5	77%	0.773	70%	0.696	S	S	*	*			trans	-120.1	117.6	164.4	47.2	0	0	0	0	106.5	G56 S60	G56-T58 VanDerWaalsContact C-N 3.27Å; G56-T58 PolarHBondContact O-N 3.24Å; T58-S60 PolarHBondContact O-N 3.47Å; T58-S60 VanDerWaalsContact O-N 3.07Å
59	N	26.8	Very low	40.5	Very low	152 Å²	152	118.4 Å²	118.4	81%	0.813	68%	0.682	S	S	*	*			trans	-32.2	110.2	-175.5	-75.8	-28.8	0	0	0	113.1	F61	N59-F61 PolarHBondContact O-N 3.01Å
60	S	28.4	Very low	41.6	Very low	116 Å²	116	114.9 Å²	114.9	81%	0.811	66%	0.664	S	S	*	*			trans	-68.1	80.7	166.5	50.7	0	0	0	0	109.1	T58 S62	T58-S60 PolarHBondContact O-N 3.47Å; T58-S60 VanDerWaalsContact O-N 3.07Å; S60-S62 VanDerWaalsContact C-N 3.31Å; S60-S62 PolarHBondContact O-N 3.29Å
61	F	31.7	Very low	43	Very low	189 Å²	189	109.5 Å²	109.5	83%	0.829	65%	0.654	S	S	*	*			trans	-57.4	106.7	152.5	-92	-87.4	0	0	0	106.1	N59 S63	N59-F61 PolarHBondContact O-N 3.01Å; F61-S63 PolarHBondContact O-N 3.27Å
62	S	36.3	Very low	44.2	Very low	93 Å²	93	104.6 Å²	104.6	65%	0.65	63%	0.632	S	S	*	*			trans	-47.2	108.8	177	178.7	0	0	0	0	109.2	S60 K64	S60-S62 VanDerWaalsContact C-N 3.31Å; S60-S62 PolarHBondContact O-N 3.29Å; S62-K64 PolarHBondContact O-N 3.21Å
63	S	47.3	Very low	45.2	Very low	120 Å²	120	101.8 Å²	101.8	84%	0.839	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-62.3	2.3	-179.1	147.2	0	0	0	0	113.6	F61 G65	F61-S63 PolarHBondContact O-N 3.27Å; S63-G65 VanDerWaalsContact C-N 3.3Å; S63-G65 PolarHBondContact O-N 3.44Å
64	K	51.7	Low	46.2	Very low	171 Å²	171	96.8 Å²	96.8	74%	0.743	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-85	10.4	-179.5	-67.8	-173.7	174.6	-178.3	0	114.7	S62	S62-K64 PolarHBondContact O-N 3.21Å
65	G	66.5	Low	47.6	Very low	32 Å²	32	93.4 Å²	93.4	33%	0.33	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-88.5	-3.6	-171.5	0	0	0	0	0	116.5	S63 N137	S63-G65 VanDerWaalsContact C-N 3.3Å; S63-G65 PolarHBondContact O-N 3.44Å; G65-N137 PolarHBondContact O-ND2 2.65Å; G65-N137 PolarHBondContact O-OD1 3.25Å; G65-N137 VanDerWaalsContact O-OD1 3.05Å
66	F	78.2	Confident	48.7	Very low	28 Å²	28	87.1 Å²	87.1	12%	0.123	52%	0.522	C	S	.	.			trans	-147.9	129.8	-177.5	-178	-113.5	0	0	0	110.4	Y25 G68 F70 F73 L135 S144 V146	Y25-F66 HydrophobicContact CD1-CZ 4.04Å; Y25-F66 HydrophobicContact CD2-CE2 4.22Å; Y25-F66 HydrophobicContact CD2-CZ 4.2Å; Y25-F66 HydrophobicContact CG-CE2 4.17Å; Y25-F66 AromaticContact CG-CZ 3.86Å; Y25-F66 HydrophobicContact CG-CZ 3.86Å; F66-G68 VanDerWaalsContact CD1-O 3.23Å; F66-G68 WeakPolarHBondContact CD1-O 3.41Å; F66-G68 VanDerWaalsContact CE1-O 3.27Å; F66-G68 WeakPolarHBondContact CE1-O 3.5Å; F66-F70 HydrophobicContact CD1-CD2 4.13Å; F66-F73 HydrophobicContact CE1-CB 4.45Å; F66-L135 HydrophobicContact CD2-CD1 3.84Å; F66-L135 HydrophobicContact CE2-CD1 4.25Å; F66-S144 WeakPolarHBondContact CA-OG 3.3Å; F66-V146 HydrophobicContact CE2-CG2 3.74Å; F66-V146 HydrophobicContact CZ-CG2 4.49Å
67	Y	77.5	Confident	49.7	Very low	38 Å²	38	87.2 Å²	87.2	15%	0.149	51%	0.508	C	S	.	.			trans	-91.3	-6.8	-176.4	-67.5	-70.7	0	0	0	113.9	H26 E27 H139 R142 S144	H26-Y67 CarbonylContact C-O 3.52Å; E27-Y67 WeakPolarHBondContact CA-O 3.1Å; E27-Y67 HydrophobicContact CB-CD1 3.85Å; E27-Y67 HydrophobicContact CB-CG 4.46Å; E27-Y67 HydrophobicContact CG-CD1 4.1Å; E27-Y67 PolarHBondContact N-O 2.89Å; Y67-H139 AromaticContact CE2-ND1 3.56Å; Y67-H139 AromaticContact CZ-ND1 3.61Å; Y67-H139 WeakPolarHBondContact OH-CA 3.39Å; Y67-H139 PolarHBondContact OH-ND1 3.11Å; Y67-R142 WeakPolarHBondContact CB-O 3.38Å; Y67-R142 HydrophobicContact CD1-CB 3.95Å; Y67-R142 HydrophobicContact CE1-CB 3.75Å; Y67-R142 HydrophobicContact CE1-CG 4.16Å; Y67-R142 HydrophobicContact CE2-CB 4.4Å; Y67-R142 HydrophobicContact CG-CB 4.35Å; Y67-S144 WeakPolarHBondContact CD2-OG 3.3Å; Y67-S144 PolarHBondContact N-OG 2.8Å
68	G	67.9	Low	50.5	Low	18 Å²	18	88.2 Å²	88.2	19%	0.186	49%	0.493	C	S	.	.	S	Bend	trans	-93.3	175.8	177.7	0	0	0	0	0	115.3	F66 F70	F66-G68 VanDerWaalsContact CD1-O 3.23Å; F66-G68 WeakPolarHBondContact CD1-O 3.41Å; F66-G68 VanDerWaalsContact CE1-O 3.27Å; F66-G68 WeakPolarHBondContact CE1-O 3.5Å; G68-F70 PolarHBondContact O-N 3.27Å
69	K	66	Low	51.2	Low	122 Å²	122	85.8 Å²	85.8	53%	0.53	48%	0.482	S	S	.	.			trans	-62.8	115.4	169.1	-77	-176.1	176.3	150.6	0	110.4	E28 D71	E28-K69 VanDerWaalsContact CD-CE 3.46Å; E28-K69 WeakPolarHBondContact OE1-CE 3.47Å; E28-K69 IonicContact OE1-NZ 3.39Å; E28-K69 PolarHBondContact OE1-NZ 3.48Å; E28-K69 VanDerWaalsContact OE2-CE 3.32Å; E28-K69 WeakPolarHBondContact OE2-CE 3.47Å; E28-K69 IonicContact OE2-NZ 3.11Å; K69-D71 PolarHBondContact O-N 2.75Å
70	F	53.6	Low	51.7	Low	120 Å²	120	81.1 Å²	81.1	53%	0.526	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-26.7	-177.3	-152.4	-100	0	0	0	112.3	F66 G68 C72 F73 A74	F66-F70 HydrophobicContact CD1-CD2 4.13Å; G68-F70 PolarHBondContact O-N 3.27Å; F70-C72 VanDerWaalsContact C-N 3.33Å; F70-C72 PolarHBondContact O-N 3.17Å; F70-F73 HydrophobicContact CE2-CD1 4.35Å; F70-F73 CarbonylContact O-C 3.14Å; F70-F73 PolarHBondContact O-N 3.44Å; F70-A74 HydrophobicContact CD1-CB 3.64Å; F70-A74 HydrophobicContact CE1-CB 3.8Å; F70-A74 VanDerWaalsContact O-CB 3.26Å; F70-A74 WeakPolarHBondContact O-CB 3.38Å; F70-A74 PolarHBondContact O-N 3.43Å
71	D	57.6	Low	51.7	Low	127 Å²	127	85.4 Å²	85.4	68%	0.679	46%	0.457	S	S	*	.	H	α-helix	trans	-57.7	-41.3	-175.5	-56.7	-28	0	0	0	113.4	K69 A75	K69-D71 PolarHBondContact O-N 2.75Å; D71-A75 VanDerWaalsContact O-CB 3.29Å; D71-A75 WeakPolarHBondContact O-CB 3.27Å; D71-A75 PolarHBondContact O-N 2.92Å; D71-A75 VanDerWaalsContact O-N 3.08Å
72	C	49.9	Very low	51.6	Low	64 Å²	64	84.7 Å²	84.7	43%	0.432	45%	0.454	S	S	.	.	H	α-helix	trans	-68.8	-35.6	178.2	-66.7	0	0	0	0	112	F70	F70-C72 VanDerWaalsContact C-N 3.33Å; F70-C72 PolarHBondContact O-N 3.17Å
73	F	48	Very low	51.3	Low	30 Å²	30	86.9 Å²	86.9	13%	0.132	46%	0.458	C	S	.	.	H	α-helix	trans	-80.3	-39.8	-179.1	-169.9	-107.7	0	0	0	111.9	F66 F70 C76 L77 V146 Y152	F66-F73 HydrophobicContact CE1-CB 4.45Å; F70-F73 HydrophobicContact CE2-CD1 4.35Å; F70-F73 CarbonylContact O-C 3.14Å; F70-F73 PolarHBondContact O-N 3.44Å; F73-C76 PolarHBondContact O-N 2.81Å; F73-L77 HydrophobicContact CD1-CD1 3.67Å; F73-L77 HydrophobicContact CE1-CD1 3.45Å; F73-L77 VanDerWaalsContact CE1-CD1 3.45Å; F73-L77 HydrophobicContact CE1-CG 4.3Å; F73-L77 HydrophobicContact CZ-CD1 4.22Å; F73-L77 PolarHBondContact O-N 2.65Å; F73-V146 HydrophobicContact CE2-CG1 4.16Å; F73-Y152 HydrophobicContact CD2-CD2 4.46Å; F73-Y152 AromaticContact CD2-CE2 3.9Å; F73-Y152 HydrophobicContact CD2-CE2 3.9Å; F73-Y152 HydrophobicContact CE2-CE2 4.18Å
74	A	53.4	Low	50.4	Low	15 Å²	15	86 Å²	86	12%	0.124	45%	0.452	C	S	.	.	H	α-helix	trans	-68.7	-40.8	178.6	0	0	0	0	0	112.5	F70 C76 L77 Q78	F70-A74 HydrophobicContact CD1-CB 3.64Å; F70-A74 HydrophobicContact CE1-CB 3.8Å; F70-A74 VanDerWaalsContact O-CB 3.26Å; F70-A74 WeakPolarHBondContact O-CB 3.38Å; F70-A74 PolarHBondContact O-N 3.43Å; A74-C76 PolarHBondContact O-N 2.9Å; A74-L77 PolarHBondContact O-N 2.83Å; A74-Q78 WeakPolarHBondContact O-CB 3.45Å; A74-Q78 VanDerWaalsContact O-CG 3.28Å; A74-Q78 WeakPolarHBondContact O-CG 3.48Å; A74-Q78 PolarHBondContact O-N 3.49Å
75	A	52.5	Low	49.2	Very low	63 Å²	63	85 Å²	85	52%	0.521	46%	0.455	S	S	.	.	H	α-helix	trans	-57.8	-37.6	174.7	0	0	0	0	0	111.6	D71 S79	D71-A75 VanDerWaalsContact O-CB 3.29Å; D71-A75 WeakPolarHBondContact O-CB 3.27Å; D71-A75 PolarHBondContact O-N 2.92Å; D71-A75 VanDerWaalsContact O-N 3.08Å; A75-S79 PolarHBondContact O-N 2.73Å
76	C	46.9	Very low	47.4	Very low	33 Å²	33	87.2 Å²	87.2	22%	0.223	47%	0.47	C	S	.	.	H	α-helix	trans	-74	-38.7	177.1	-157.3	0	0	0	0	112.9	F73 A74 Q78 S79 Y152	F73-C76 PolarHBondContact O-N 2.81Å; A74-C76 PolarHBondContact O-N 2.9Å; C76-Q78 VanDerWaalsContact C-N 3.31Å; C76-Q78 PolarHBondContact O-N 3.2Å; C76-S79 WeakPolarHBondContact O-CB 3.38Å; C76-S79 PolarHBondContact O-N 3.36Å; C76-Y152 HydrophobicContact CB-CD1 3.96Å; C76-Y152 HydrophobicContact CB-CE1 3.87Å; C76-Y152 WeakPolarHBondContact SG-CE1 3.48Å
77	L	46.5	Very low	44.9	Very low	61 Å²	61	92.1 Å²	92.1	32%	0.319	50%	0.502	S	S	.	.	H	α-helix	trans	-66	-30.2	173.6	-80.7	167.9	0	0	0	113.3	F73 A74 T80 P132	F73-L77 HydrophobicContact CD1-CD1 3.67Å; F73-L77 HydrophobicContact CE1-CD1 3.45Å; F73-L77 VanDerWaalsContact CE1-CD1 3.45Å; F73-L77 HydrophobicContact CE1-CG 4.3Å; F73-L77 HydrophobicContact CZ-CD1 4.22Å; F73-L77 PolarHBondContact O-N 2.65Å; A74-L77 PolarHBondContact O-N 2.83Å; L77-T80 PolarHBondContact O-OG1 3.28Å; L77-T80 VanDerWaalsContact O-OG1 3.09Å; L77-P132 HydrophobicContact CD2-CB 4.24Å; L77-P132 HydrophobicContact CD2-CG 3.79Å
78	Q	45.8	Very low	42.3	Very low	134 Å²	134	98.3 Å²	98.3	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-78.8	-29.2	177.7	-70.9	174.7	20.5	0	0	112.1	A74 C76 T80 R81	A74-Q78 WeakPolarHBondContact O-CB 3.45Å; A74-Q78 VanDerWaalsContact O-CG 3.28Å; A74-Q78 WeakPolarHBondContact O-CG 3.48Å; A74-Q78 PolarHBondContact O-N 3.49Å; C76-Q78 VanDerWaalsContact C-N 3.31Å; C76-Q78 PolarHBondContact O-N 3.2Å; Q78-T80 VanDerWaalsContact C-N 3.33Å; Q78-T80 PolarHBondContact O-N 2.88Å; Q78-R81 PolarHBondContact O-N 3.12Å
79	S	42.3	Very low	40.3	Very low	76 Å²	76	103.2 Å²	103.2	53%	0.531	56%	0.563	S	S	.	*	H	α-helix	trans	-60.9	-39.1	173.8	-177.2	0	0	0	0	112.4	A75 C76 R81 K82	A75-S79 PolarHBondContact O-N 2.73Å; C76-S79 WeakPolarHBondContact O-CB 3.38Å; C76-S79 PolarHBondContact O-N 3.36Å; S79-R81 VanDerWaalsContact C-N 3.3Å; S79-R81 PolarHBondContact O-N 3.44Å; S79-K82 PolarHBondContact O-N 3.14Å
80	T	37.1	Very low	38.2	Very low	54 Å²	54	106.3 Å²	106.3	33%	0.331	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-15.3	-178.2	57.3	0	0	0	0	113.7	L77 Q78	L77-T80 PolarHBondContact O-OG1 3.28Å; L77-T80 VanDerWaalsContact O-OG1 3.09Å; Q78-T80 VanDerWaalsContact C-N 3.33Å; Q78-T80 PolarHBondContact O-N 2.88Å
81	R	28.3	Very low	36.9	Very low	206 Å²	206	106.6 Å²	106.6	78%	0.777	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-22.8	174.7	-78.5	-173.6	173	-179.3	-1.5	113.7	Q78 S79 D83	Q78-R81 PolarHBondContact O-N 3.12Å; S79-R81 VanDerWaalsContact C-N 3.3Å; S79-R81 PolarHBondContact O-N 3.44Å; R81-D83 VanDerWaalsContact C-N 3.3Å; R81-D83 PolarHBondContact O-N 3.08Å
82	K	29.7	Very low	35.2	Very low	174 Å²	174	105.5 Å²	105.5	76%	0.757	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-76	-13.3	-178.1	-82.1	-170.9	175.6	-178.7	0	114.6	S79 S84	S79-K82 PolarHBondContact O-N 3.14Å; K82-S84 VanDerWaalsContact C-N 3.33Å; K82-S84 PolarHBondContact O-N 3.42Å
83	D	30.9	Very low	34.1	Very low	138 Å²	138	110.1 Å²	110.1	74%	0.738	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-84.9	-0	177.4	-74.9	-20	0	0	0	114.2	R81	R81-D83 VanDerWaalsContact C-N 3.3Å; R81-D83 PolarHBondContact O-N 3.08Å
84	S	28.6	Very low	33	Very low	102 Å²	102	116.5 Å²	116.5	71%	0.713	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-91.6	-12	176	-56	0	0	0	0	114.7	K82	K82-S84 VanDerWaalsContact C-N 3.33Å; K82-S84 PolarHBondContact O-N 3.42Å
85	D	26.1	Very low	31.7	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	68%	0.68	S	S	*	*	S	Bend	trans	-121.3	8.1	-175.1	-84.5	-21.5	0	0	0	115	V87	D85-V87 PolarHBondContact O-N 2.88Å
86	A	27.8	Very low	30.3	Very low	80 Å²	80	128.6 Å²	128.6	66%	0.661	70%	0.699	S	S	*	*			trans	-82.1	83.8	174.8	0	0	0	0	0	110.9	L88	A86-L88 PolarHBondContact O-N 3.47Å; A86-L88 VanDerWaalsContact O-N 3.16Å
87	V	26	Very low	29.2	Very low	130 Å²	130	132.3 Å²	132.3	79%	0.788	73%	0.726	S	S	*	*			trans	-54	116	163.5	174.6	0	0	0	0	108.6	D85 V89	D85-V87 PolarHBondContact O-N 2.88Å; V87-V89 PolarHBondContact O-N 3.48Å
88	L	24.4	Very low	28.1	Very low	168 Å²	168	137 Å²	137	88%	0.88	75%	0.75	S	S	*	*			trans	-54.4	106.3	173.9	-76.7	157.7	0	0	0	110	A86	A86-L88 PolarHBondContact O-N 3.47Å; A86-L88 VanDerWaalsContact O-N 3.16Å
89	V	26.1	Very low	27.2	Very low	121 Å²	121	136.7 Å²	136.7	73%	0.733	76%	0.76	S	S	*	*			trans	-99.1	103.7	159.2	179.1	0	0	0	0	106.7	V87 T91	V87-V89 PolarHBondContact O-N 3.48Å; V89-T91 PolarHBondContact O-N 3.43Å
90	E	20.7	Very low	26.3	Very low	187 Å²	187	142.4 Å²	142.4	87%	0.874	78%	0.775	S	S	*	*			trans	-54.5	116.3	169.2	-67.5	177.3	155.7	0	0	109.5
91	T	25.7	Very low	25.6	Very low	127 Å²	127	148 Å²	148	78%	0.779	80%	0.802	S	S	*	*			trans	-126.1	105.3	156.5	43.8	0	0	0	0	108.3	V89	V89-T91 PolarHBondContact O-N 3.43Å
92	S	23.7	Very low	25.4	Very low	104 Å²	104	149 Å²	149	73%	0.727	81%	0.806	S	S	*	*			trans	-54.9	128.4	157.6	50.7	0	0	0	0	109.6
93	D	25.8	Very low	25.1	Very low	160 Å²	160	146.9 Å²	146.9	86%	0.856	81%	0.808	S	S	*	*				-166.9	131	127.3	-94.4	-26.2	0	0	0	112
94	L	24	Very low	24.8	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	80%	0.804	S	S	*	*			trans	-62.3	133.3	168.2	-83.1	80.3	0	0	0	110.5
95	A	26.4	Very low	24.7	Very low	95 Å²	95	146.5 Å²	146.5	79%	0.785	81%	0.81	S	S	*	*			trans	-167.8	115.5	136.5	0	0	0	0	0	111.5	S97	A95-S97 PolarHBondContact O-N 3.39Å
96	Y	22.7	Very low	24.9	Very low	236 Å²	236	144.2 Å²	144.2	93%	0.925	81%	0.806	S	S	*	*			trans	-60.2	121.1	164.2	-77.5	-100.4	0	0	0	110.7
97	S	24.5	Very low	25.3	Very low	112 Å²	112	146 Å²	146	78%	0.783	81%	0.813	S	S	*	*			trans	-160.1	136.4	149.3	58	0	0	0	0	112.1	A95	A95-S97 PolarHBondContact O-N 3.39Å
98	L	22.6	Very low	25.8	Very low	159 Å²	159	148.4 Å²	148.4	83%	0.832	82%	0.821	S	S	*	*			trans	-52.4	144.9	-177.1	-88.7	80.4	0	0	0	113.4	K100	L98-K100 PolarHBondContact O-N 3.19Å
99	P	27.2	Very low	25.9	Very low	128 Å²	128	147.3 Å²	147.3	83%	0.831	82%	0.815	S	S	*	*			trans	-76.4	100.4	174.5	29.3	-27.6	0	0	0	110.3	L101	P99-L101 PolarHBondContact O-N 3.42Å
100	K	23.8	Very low	26.1	Very low	196 Å²	196	145.6 Å²	145.6	85%	0.852	81%	0.807	S	S	*	*			trans	-74.4	114.1	157	-77.7	179.3	176.8	174.9	0	108	L98 R102	L98-K100 PolarHBondContact O-N 3.19Å; K100-R102 PolarHBondContact O-N 3.35Å
101	L	22.6	Very low	26.6	Very low	171 Å²	171	142.7 Å²	142.7	90%	0.895	80%	0.797	S	S	*	*			trans	-49.9	101.9	171.2	-84.7	138.2	0	0	0	110.9	P99	P99-L101 PolarHBondContact O-N 3.42Å
102	R	23.6	Very low	27.2	Very low	226 Å²	226	140.2 Å²	140.2	85%	0.853	78%	0.779	S	S	*	*			trans	-104.9	103.2	163.7	-91.8	-172.4	175.5	168.8	-0.7	108.4	K100 S104	K100-R102 PolarHBondContact O-N 3.35Å; R102-S104 PolarHBondContact O-N 3.27Å; R102-S104 VanDerWaalsContact O-N 3.08Å
103	V	23.9	Very low	27.8	Very low	131 Å²	131	138.4 Å²	138.4	79%	0.794	77%	0.766	S	S	*	*			trans	-69.3	98.1	166.3	-179.7	0	0	0	0	106.8
104	S	25.7	Very low	28.2	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	75%	0.754	S	S	*	*			trans	-102.8	116.3	169.3	-58	0	0	0	0	108.1	R102 S106	R102-S104 PolarHBondContact O-N 3.27Å; R102-S104 VanDerWaalsContact O-N 3.08Å; S104-S106 PolarHBondContact O-N 3.38Å
105	T	25.6	Very low	28.9	Very low	138 Å²	138	133 Å²	133	85%	0.847	74%	0.741	S	S	*	*			trans	-70	100.7	176.9	45.1	0	0	0	0	110.6
106	S	31	Very low	29.7	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	73%	0.73	S	S	*	*			trans	-161.3	123.9	154.7	51.2	0	0	0	0	109.8	S104	S104-S106 PolarHBondContact O-N 3.38Å
107	S	36	Very low	30.3	Very low	117 Å²	117	128 Å²	128	82%	0.818	72%	0.718	S	S	*	*			trans	69.4	113.6	176	47.6	0	0	0	0	118.4	L109	S107-L109 PolarHBondContact O-N 2.91Å
108	L	35.3	Very low	31.5	Very low	181 Å²	181	124.8 Å²	124.8	95%	0.948	70%	0.695	S	S	*	*	S	Bend	trans	-74	47.2	-175.9	-73.6	156.3	0	0	0	114.7
109	L	26.9	Very low	33.3	Very low	146 Å²	146	124.3 Å²	124.3	76%	0.764	69%	0.694	S	S	*	*	S	Bend	trans	-122.8	118.7	162.4	-76.9	164.8	0	0	0	106.8	S107 D111	S107-L109 PolarHBondContact O-N 2.91Å; L109-D111 PolarHBondContact O-N 2.98Å; L109-D111 VanDerWaalsContact O-N 3.11Å
110	P	31.4	Very low	35.6	Very low	85 Å²	85	119.4 Å²	119.4	55%	0.552	66%	0.661	S	S	*	*			trans	-56.9	125.2	171.3	24.1	-29.7	0	0	0	106.8	L112	P110-L112 VanDerWaalsContact C-N 3.26Å; P110-L112 PolarHBondContact O-N 3.4Å
111	D	31.1	Very low	38.6	Very low	126 Å²	126	110.9 Å²	110.9	67%	0.674	63%	0.626	S	S	*	*			trans	-59.2	91.7	177.1	-170.6	3.1	0	0	0	108.7	L109 S113	L109-D111 PolarHBondContact O-N 2.98Å; L109-D111 VanDerWaalsContact O-N 3.11Å; D111-S113 PolarHBondContact O-N 2.91Å; D111-S113 VanDerWaalsContact OD1-CB 3.28Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.28Å; D111-S113 PolarHBondContact OD1-OG 2.87Å; D111-S113 PolarHBondContact OD2-OG 3.43Å
112	L	37.5	Very low	41.6	Very low	75 Å²	75	105.7 Å²	105.7	39%	0.393	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-12.6	-177.8	-80.8	146.2	0	0	0	111.4	P110 G114 Y115 F116	P110-L112 VanDerWaalsContact C-N 3.26Å; P110-L112 PolarHBondContact O-N 3.4Å; L112-G114 PolarHBondContact O-N 3.32Å; L112-Y115 PolarHBondContact O-N 2.96Å; L112-F116 HydrophobicContact CB-CD2 4.22Å; L112-F116 HydrophobicContact CB-CE2 4.14Å; L112-F116 HydrophobicContact CD2-CE2 4.09Å; L112-F116 WeakPolarHBondContact O-CD2 3.49Å; L112-F116 PolarHBondContact O-N 3.42Å
113	S	35.4	Very low	44.8	Very low	66 Å²	66	95.1 Å²	95.1	46%	0.462	56%	0.56	S	S	.	*	H	α-helix	trans	-56.2	-39	178.4	68	0	0	0	0	111.8	D111 Y115 F116 C117	D111-S113 PolarHBondContact O-N 2.91Å; D111-S113 VanDerWaalsContact OD1-CB 3.28Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.28Å; D111-S113 PolarHBondContact OD1-OG 2.87Å; D111-S113 PolarHBondContact OD2-OG 3.43Å; S113-Y115 VanDerWaalsContact C-N 3.27Å; S113-Y115 PolarHBondContact O-N 2.95Å; S113-F116 PolarHBondContact O-N 2.87Å; S113-C117 WeakPolarHBondContact O-CB 3.42Å; S113-C117 PolarHBondContact O-N 3.24Å; S113-C117 VanDerWaalsContact O-N 3.09Å
114	G	34.1	Very low	48	Very low	58 Å²	58	89 Å²	89	60%	0.598	52%	0.524	S	S	*	.	H	α-helix	trans	-67.6	-20.6	177.4	0	0	0	0	0	114.9	L112	L112-G114 PolarHBondContact O-N 3.32Å
115	Y	40.6	Very low	50.9	Low	154 Å²	154	90 Å²	90	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-92.7	-28.8	179.5	-77.4	-84.1	0	0	0	113.3	L112 S113 F157	L112-Y115 PolarHBondContact O-N 2.96Å; S113-Y115 VanDerWaalsContact C-N 3.27Å; S113-Y115 PolarHBondContact O-N 2.95Å; Y115-F157 HydrophobicContact CD1-CE1 4.12Å; Y115-F157 HydrophobicContact CD1-CZ 4.32Å; Y115-F157 HydrophobicContact CE1-CE1 4.43Å
116	F	42.3	Very low	53.9	Low	125 Å²	125	84.2 Å²	84.2	55%	0.548	48%	0.478	S	S	.	.	H	α-helix	trans	-86	-19.3	174.5	-71.5	-76.6	0	0	0	113.2	L112 S113 F150	L112-F116 HydrophobicContact CB-CD2 4.22Å; L112-F116 HydrophobicContact CB-CE2 4.14Å; L112-F116 HydrophobicContact CD2-CE2 4.09Å; L112-F116 WeakPolarHBondContact O-CD2 3.49Å; L112-F116 PolarHBondContact O-N 3.42Å; S113-F116 PolarHBondContact O-N 2.87Å; F116-F150 HydrophobicContact CE1-CD2 4.25Å
117	C	35.7	Very low	56.2	Low	101 Å²	101	80.4 Å²	80.4	68%	0.682	45%	0.451	S	S	*	.			trans	-97.6	4.3	-170.8	-173.3	0	0	0	0	115.7	S113 D119	S113-C117 WeakPolarHBondContact O-CB 3.42Å; S113-C117 PolarHBondContact O-N 3.24Å; S113-C117 VanDerWaalsContact O-N 3.09Å; C117-D119 PolarHBondContact O-N 3.41Å
118	C	49.6	Very low	57.8	Low	44 Å²	44	77 Å²	77	30%	0.297	43%	0.434	S	S	.	.	S	Bend	trans	-67.3	125.3	168.2	71.1	0	0	0	0	108.3	T120	C118-T120 PolarHBondContact O-N 3.41Å
119	D	60.6	Low	59.3	Low	149 Å²	149	73.1 Å²	73.1	80%	0.797	42%	0.422	S	S	*	.			trans	-49.6	83.7	172.3	-81.5	-40.6	0	0	0	110.4	H14 C117 C121	H14-D119 PolarHBondContact NE2-O 2.98Å; C117-D119 PolarHBondContact O-N 3.41Å; D119-C121 PolarHBondContact O-N 3.4Å
120	T	74.5	Confident	61.3	Low	24 Å²	24	72.4 Å²	72.4	15%	0.147	42%	0.424	C	S	.	.			trans	-72.6	123.3	179.9	44.7	0	0	0	0	106.9	C118 C124 R125	C118-T120 PolarHBondContact O-N 3.41Å; T120-C124 HydrophobicContact CG2-CB 4.28Å; T120-R125 PolarHBondContact O-NE 3.23Å; T120-R125 VanDerWaalsContact O-NE 3.08Å; T120-R125 PolarHBondContact O-NH2 2.72Å; T120-R125 WeakPolarHBondContact OG1-CG 3.36Å; T120-R125 PolarHBondContact OG1-NE 3.41Å; T120-R125 VanDerWaalsContact OG1-NE 3.12Å
121	C	86.6	Confident	63.4	Low	18 Å²	18	72.8 Å²	72.8	12%	0.122	42%	0.417	C	S	.	.			trans	-59.2	161.9	172.2	63.9	0	0	0	0	110.3	C11 I13 H14 D119 A123 C124 P287	C11-C121 VanDerWaalsContact SG-SG 3.66Å; I13-C121 HydrophobicContact CD1-CB 4.3Å; H14-C121 PolarHBondContact CE1-N 2.59Å; H14-C121 VanDerWaalsContact CE1-N 3.32Å; H14-C121 PolarHBondContact CE1-SG 3.02Å; H14-C121 PolarHBondContact ND1-SG 3.16Å; D119-C121 PolarHBondContact O-N 3.4Å; C121-A123 PolarHBondContact O-N 3Å; C121-A123 VanDerWaalsContact O-N 3.14Å; C121-C124 PolarHBondContact O-N 2.77Å; C121-C124 PolarHBondContact SG-SG 3.15Å; C121-P287 HydrophobicContact CB-CG 3.66Å; C121-P287 WeakPolarHBondContact SG-CG 3.47Å
122	N	86.9	Confident	65.6	Low	62 Å²	62	68.7 Å²	68.7	33%	0.332	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-52.1	-40.2	179.3	-163.7	23.6	0	0	0	112.5	C124 R125 E292	N122-C124 PolarHBondContact O-N 3.38Å; N122-R125 PolarHBondContact O-N 3.39Å; N122-E292 PolarHBondContact ND2-OE1 3.41Å
123	A	89.4	Confident	68	Low	4 Å²	4	65.7 Å²	65.7	3%	0.033	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27	174.9	0	0	0	0	0	116.4	H9 L19 C121 P287 R288	H9-A123 PolarHBondContact NE2-O 3.22Å; L19-A123 VanDerWaalsContact CD2-O 3.28Å; L19-A123 WeakPolarHBondContact CD2-O 3.48Å; C121-A123 PolarHBondContact O-N 3Å; C121-A123 VanDerWaalsContact O-N 3.14Å; A123-P287 HydrophobicContact CB-CB 3.64Å; A123-P287 HydrophobicContact CB-CG 3.68Å; A123-P287 WeakPolarHBondContact CB-O 3.38Å; A123-P287 PolarHBondContact N-O 3.35Å; A123-R288 WeakPolarHBondContact CA-O 3.42Å; A123-R288 WeakPolarHBondContact CB-O 3.29Å
124	C	91.4	Very high	70.7	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.02	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-94.3	-2.3	-174.9	-69.2	0	0	0	0	113	H9 H14 T120 C121 N122 Q149	H9-C124 VanDerWaalsContact CE1-SG 3.55Å; H14-C124 PolarHBondContact ND1-SG 3.33Å; H14-C124 VanDerWaalsContact ND1-SG 3.41Å; T120-C124 HydrophobicContact CG2-CB 4.28Å; C121-C124 PolarHBondContact O-N 2.77Å; C121-C124 PolarHBondContact SG-SG 3.15Å; N122-C124 PolarHBondContact O-N 3.38Å; C124-Q149 PolarHBondContact O-NE2 2.87Å
125	R	88.1	Confident	73.3	Confident	114 Å²	114	64.8 Å²	64.8	43%	0.43	36%	0.359	S	S	.	.			trans	-98.4	137.6	179.7	-63	-175.3	-176	-157.5	0.5	110.1	T120 N122 Y300	T120-R125 PolarHBondContact O-NE 3.23Å; T120-R125 VanDerWaalsContact O-NE 3.08Å; T120-R125 PolarHBondContact O-NH2 2.72Å; T120-R125 WeakPolarHBondContact OG1-CG 3.36Å; T120-R125 PolarHBondContact OG1-NE 3.41Å; T120-R125 VanDerWaalsContact OG1-NE 3.12Å; N122-R125 PolarHBondContact O-N 3.39Å; R125-Y300 PolarHBondContact O-OH 2.96Å
126	S	87.6	Confident	75.6	Confident	17 Å²	17	60.1 Å²	60.1	12%	0.119	35%	0.346	C	S	.	.	S	Bend	trans	-110.1	-60.2	176.3	52.7	0	0	0	0	112.9	L19 Y300	L19-S126 WeakPolarHBondContact O-CB 3.14Å; L19-S126 PolarHBondContact O-OG 2.8Å; S126-Y300 VanDerWaalsContact CA-CE2 3.44Å; S126-Y300 VanDerWaalsContact CA-CZ 3.44Å; S126-Y300 VanDerWaalsContact O-CD2 3.23Å; S126-Y300 WeakPolarHBondContact O-CD2 3.49Å; S126-Y300 VanDerWaalsContact O-CE2 3.3Å; S126-Y300 WeakPolarHBondContact O-CE2 3.44Å
127	V	78.8	Confident	77.8	Confident	20 Å²	20	56.5 Å²	56.5	12%	0.121	33%	0.333	C	S	.	.	S	Bend	trans	-102.7	137.8	174.2	-81.6	0	0	0	0	109.5	F131 F134 Q149	V127-F131 HydrophobicContact CB-CD1 4.02Å; V127-F131 HydrophobicContact CG1-CD1 3.66Å; V127-F131 HydrophobicContact CG1-CE1 4.02Å; V127-F134 HydrophobicContact CG1-CE2 3.9Å; V127-F134 HydrophobicContact CG1-CZ 4.37Å; V127-Q149 HydrophobicContact CG2-CB 4.24Å
128	G	69.6	Low	80.2	Confident	46 Å²	46	52.7 Å²	52.7	47%	0.474	31%	0.305	S	S	.	.			trans	-63.3	161.8	-176.6	0	0	0	0	0	112.8	T130 F131	G128-T130 PolarHBondContact O-N 3.11Å; G128-T130 VanDerWaalsContact O-N 3.09Å; G128-F131 PolarHBondContact O-N 3.39Å; G128-F131 VanDerWaalsContact O-O 3.07Å
129	S	66.2	Low	81.8	Confident	99 Å²	99	55.6 Å²	55.6	69%	0.692	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26	-177.8	50.6	0	0	0	0	114.1
130	T	70.3	Confident	82.7	Confident	130 Å²	130	57.6 Å²	57.6	80%	0.798	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-12.2	178.7	54.8	0	0	0	0	113.7	G128	G128-T130 PolarHBondContact O-N 3.11Å; G128-T130 VanDerWaalsContact O-N 3.09Å
131	F	74.9	Confident	83	Confident	93 Å²	93	59 Å²	59	41%	0.408	33%	0.327	S	S	.	.			trans	-118.2	107.2	-174.1	-172.9	-101.4	0	0	0	110.3	V127 G128 G133 F134	V127-F131 HydrophobicContact CB-CD1 4.02Å; V127-F131 HydrophobicContact CG1-CD1 3.66Å; V127-F131 HydrophobicContact CG1-CE1 4.02Å; G128-F131 PolarHBondContact O-N 3.39Å; G128-F131 VanDerWaalsContact O-O 3.07Å; F131-G133 VanDerWaalsContact C-N 3.26Å; F131-G133 VanDerWaalsContact CE1-C 3.43Å; F131-G133 WeakPolarHBondContact CE1-O 3.07Å; F131-G133 WeakPolarHBondContact CZ-O 3.4Å; F131-G133 PolarHBondContact O-N 3.31Å; F131-F134 HydrophobicContact CE1-CD1 4.02Å; F131-F134 HydrophobicContact CE1-CD2 4.43Å; F131-F134 AromaticContact CE1-CE1 3.79Å; F131-F134 HydrophobicContact CE1-CE1 3.79Å; F131-F134 HydrophobicContact CE1-CE2 4.25Å; F131-F134 HydrophobicContact CE1-CG 4.34Å; F131-F134 AromaticContact CE1-CZ 3.92Å; F131-F134 HydrophobicContact CE1-CZ 3.92Å; F131-F134 AromaticContact CZ-CD1 4Å; F131-F134 HydrophobicContact CZ-CD1 4Å; F131-F134 AromaticContact CZ-CE1 3.97Å; F131-F134 HydrophobicContact CZ-CE1 3.97Å
132	P	78.2	Confident	83	Confident	40 Å²	40	64.8 Å²	64.8	26%	0.26	35%	0.346	S	S	.	.			trans	-70.6	-21.1	-171.1	28.8	-36.3	0	0	0	113.5	L77 Y152	L77-P132 HydrophobicContact CD2-CB 4.24Å; L77-P132 HydrophobicContact CD2-CG 3.79Å; P132-Y152 PolarHBondContact O-OH 3.27Å
133	G	87.8	Confident	83	Confident	13 Å²	13	62 Å²	62	13%	0.134	33%	0.331	C	S	.	.			trans	143.4	-168.5	-176	0	0	0	0	0	113.9	F131 G147	F131-G133 VanDerWaalsContact C-N 3.26Å; F131-G133 VanDerWaalsContact CE1-C 3.43Å; F131-G133 WeakPolarHBondContact CE1-O 3.07Å; F131-G133 WeakPolarHBondContact CZ-O 3.4Å; F131-G133 PolarHBondContact O-N 3.31Å; G133-G147 CarbonylContact C-O 3.45Å; G133-G147 WeakPolarHBondContact CA-O 3.24Å
134	F	90.8	Very high	83.1	Confident	33 Å²	33	61.9 Å²	61.9	15%	0.145	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.6	-179.7	-53.7	-83.6	0	0	0	110.5	F20 V127 F131 V146 G147 R301 N304	F20-F134 AromaticContact CE2-CD2 3.83Å; F20-F134 HydrophobicContact CE2-CD2 3.83Å; F20-F134 AromaticContact CE2-CE2 3.91Å; F20-F134 HydrophobicContact CE2-CE2 3.91Å; F20-F134 AromaticContact CZ-CD2 3.7Å; F20-F134 HydrophobicContact CZ-CD2 3.7Å; F20-F134 HydrophobicContact CZ-CE2 4.05Å; V127-F134 HydrophobicContact CG1-CE2 3.9Å; V127-F134 HydrophobicContact CG1-CZ 4.37Å; F131-F134 HydrophobicContact CE1-CD1 4.02Å; F131-F134 HydrophobicContact CE1-CD2 4.43Å; F131-F134 AromaticContact CE1-CE1 3.79Å; F131-F134 HydrophobicContact CE1-CE1 3.79Å; F131-F134 HydrophobicContact CE1-CE2 4.25Å; F131-F134 HydrophobicContact CE1-CG 4.34Å; F131-F134 AromaticContact CE1-CZ 3.92Å; F131-F134 HydrophobicContact CE1-CZ 3.92Å; F131-F134 AromaticContact CZ-CD1 4Å; F131-F134 HydrophobicContact CZ-CD1 4Å; F131-F134 AromaticContact CZ-CE1 3.97Å; F131-F134 HydrophobicContact CZ-CE1 3.97Å; F134-V146 WeakPolarHBondContact O-CA 3.42Å; F134-G147 PolarHBondContact N-O 3.32Å; F134-G147 PolarHBondContact O-N 2.91Å; F134-R301 HydrophobicContact CD1-CG 4.47Å; F134-R301 HydrophobicContact CE1-CB 3.83Å; F134-R301 HydrophobicContact CE1-CG 4.01Å; F134-R301 HydrophobicContact CZ-CB 3.95Å; F134-N304 HydrophobicContact CB-CB 4.35Å; F134-N304 WeakPolarHBondContact CB-ND2 3.49Å; F134-N304 HydrophobicContact CD2-CB 3.91Å; F134-N304 HydrophobicContact CE2-CB 4.47Å; F134-N304 HydrophobicContact CG-CB 4.17Å
135	L	90.3	Very high	83.1	Confident	72 Å²	72	61.8 Å²	61.8	38%	0.377	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.4	173.7	174.2	65	0	0	0	108.8	F66 V146	F66-L135 HydrophobicContact CD2-CD1 3.84Å; F66-L135 HydrophobicContact CE2-CD1 4.25Å; L135-V146 HydrophobicContact CD1-CG2 3.9Å
136	V	88.7	Confident	83.3	Confident	55 Å²	55	56.4 Å²	56.4	33%	0.333	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.7	174.1	-177.9	0	0	0	0	108.5	Y145 V308	V136-Y145 PolarHBondContact N-O 2.85Å; V136-Y145 PolarHBondContact O-N 2.6Å; V136-V308 HydrophobicContact CB-CG1 4.41Å; V136-V308 HydrophobicContact CB-CG2 4.27Å; V136-V308 HydrophobicContact CG1-CG1 4.13Å; V136-V308 HydrophobicContact CG2-CG2 4.15Å
137	N	87.9	Confident	83.6	Confident	50 Å²	50	55.6 Å²	55.6	27%	0.267	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124	179.1	-65.8	-42.8	0	0	0	110.8	G65 S144	G65-N137 PolarHBondContact O-ND2 2.65Å; G65-N137 PolarHBondContact O-OD1 3.25Å; G65-N137 VanDerWaalsContact O-OD1 3.05Å; N137-S144 WeakPolarHBondContact OD1-CB 3.44Å; N137-S144 PolarHBondContact OD1-OG 3.41Å
138	D	85.5	Confident	84.2	Confident	20 Å²	20	54.8 Å²	54.8	11%	0.107	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	96.5	161.9	-177.9	0.1	0	0	0	108.9	K140 S141 R142 I143 Y145 R312	D138-K140 PolarHBondContact O-N 2.74Å; D138-K140 WeakPolarHBondContact OD1-CB 3.44Å; D138-K140 PolarHBondContact OD1-N 2.92Å; D138-S141 WeakPolarHBondContact CB-OG 3.28Å; D138-S141 PolarHBondContact OD1-N 2.98Å; D138-S141 WeakPolarHBondContact OD2-CB 3.46Å; D138-S141 PolarHBondContact OD2-OG 3.17Å; D138-R142 VanDerWaalsContact O-CA 3.31Å; D138-R142 WeakPolarHBondContact O-CA 3.36Å; D138-R142 PolarHBondContact O-N 3.25Å; D138-I143 PolarHBondContact N-O 3.34Å; D138-I143 PolarHBondContact O-N 2.99Å; D138-Y145 HydrophobicContact CB-CE2 4.06Å; D138-R312 IonicContact OD2-NE 3.06Å
139	H	84.3	Confident	85.3	Confident	106 Å²	106	54.3 Å²	54.3	49%	0.491	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.9	179.5	-62.6	-62.6	0	0	0	113.5	Y67	Y67-H139 AromaticContact CE2-ND1 3.56Å; Y67-H139 AromaticContact CZ-ND1 3.61Å; Y67-H139 WeakPolarHBondContact OH-CA 3.39Å; Y67-H139 PolarHBondContact OH-ND1 3.11Å
140	K	79.1	Confident	86.4	Confident	191 Å²	191	50.9 Å²	50.9	83%	0.83	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-49.7	177.9	-67.8	-178.1	177	-177.3	0	110.4	D138 R142	D138-K140 PolarHBondContact O-N 2.74Å; D138-K140 WeakPolarHBondContact OD1-CB 3.44Å; D138-K140 PolarHBondContact OD1-N 2.92Å; K140-R142 VanDerWaalsContact C-N 3.31Å
141	S	80.8	Confident	87.3	Confident	52 Å²	52	45 Å²	45	36%	0.364	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.3	176.3	64.1	0	0	0	0	113.5	D138 I143	D138-S141 WeakPolarHBondContact CB-OG 3.28Å; D138-S141 PolarHBondContact OD1-N 2.98Å; D138-S141 WeakPolarHBondContact OD2-CB 3.46Å; D138-S141 PolarHBondContact OD2-OG 3.17Å; S141-I143 WeakPolarHBondContact OG-CD1 3.13Å; S141-I143 WeakPolarHBondContact OG-CG1 3.36Å
142	R	85.7	Confident	87.7	Confident	140 Å²	140	42.6 Å²	42.6	53%	0.528	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	48.4	-175.2	-51	-161.4	-173.8	-176.6	-0.3	112.7	E27 Y67 D138 K140	E27-R142 HydrophobicContact CB-CB 4.43Å; E27-R142 PolarHBondContact N-O 2.87Å; E27-R142 IonicContact OE1-NH1 3.41Å; E27-R142 WeakPolarHBondContact OE2-CD 3.41Å; E27-R142 IonicContact OE2-CZ 3.53Å; E27-R142 IonicContact OE2-NE 3.53Å; E27-R142 IonicContact OE2-NH1 3.25Å; E27-R142 PolarHBondContact OE2-NH1 3.4Å; Y67-R142 WeakPolarHBondContact CB-O 3.38Å; Y67-R142 HydrophobicContact CD1-CB 3.95Å; Y67-R142 HydrophobicContact CE1-CB 3.75Å; Y67-R142 HydrophobicContact CE1-CG 4.16Å; Y67-R142 HydrophobicContact CE2-CB 4.4Å; Y67-R142 HydrophobicContact CG-CB 4.35Å; D138-R142 VanDerWaalsContact O-CA 3.31Å; D138-R142 WeakPolarHBondContact O-CA 3.36Å; D138-R142 PolarHBondContact O-N 3.25Å; K140-R142 VanDerWaalsContact C-N 3.31Å
143	I	88.3	Confident	88.1	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.7	-178.5	-57.8	174.2	0	0	0	109.5	P24 Y25 H26 D138 S141 Y145 M315	P24-I143 HydrophobicContact CB-CG2 3.66Å; Y25-I143 CarbonylContact O-C 3.54Å; Y25-I143 WeakPolarHBondContact O-CA 3.35Å; H26-I143 VanDerWaalsContact CE1-CD1 3.4Å; H26-I143 WeakPolarHBondContact CE1-CD1 3.44Å; D138-I143 PolarHBondContact N-O 3.34Å; D138-I143 PolarHBondContact O-N 2.99Å; S141-I143 WeakPolarHBondContact OG-CD1 3.13Å; S141-I143 WeakPolarHBondContact OG-CG1 3.36Å; I143-Y145 HydrophobicContact CB-CE2 4.09Å; I143-Y145 HydrophobicContact CG2-CD2 4.15Å; I143-Y145 HydrophobicContact CG2-CE1 4.1Å; I143-Y145 HydrophobicContact CG2-CE2 3.69Å; I143-M315 HydrophobicContact CD1-CE 3.57Å; I143-M315 HydrophobicContact CD1-SD 3.73Å
144	S	90.7	Very high	88.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.2	169.9	-69.1	0	0	0	0	109.6	P24 Y25 F66 Y67 N137	P24-S144 CarbonylContact C-O 3.52Å; Y25-S144 PolarHBondContact N-O 2.79Å; Y25-S144 PolarHBondContact O-N 3.26Å; F66-S144 WeakPolarHBondContact CA-OG 3.3Å; Y67-S144 WeakPolarHBondContact CD2-OG 3.3Å; Y67-S144 PolarHBondContact N-OG 2.8Å; N137-S144 WeakPolarHBondContact OD1-CB 3.44Å; N137-S144 PolarHBondContact OD1-OG 3.41Å
145	Y	91.8	Very high	88	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128	174.4	-57.4	-94.8	0	0	0	109.7	Q23 P24 V136 D138 I143 V308 L311	Q23-Y145 WeakPolarHBondContact O-CA 3.2Å; P24-Y145 HydrophobicContact CB-CD1 3.88Å; P24-Y145 HydrophobicContact CB-CE1 3.78Å; V136-Y145 PolarHBondContact N-O 2.85Å; V136-Y145 PolarHBondContact O-N 2.6Å; D138-Y145 HydrophobicContact CB-CE2 4.06Å; I143-Y145 HydrophobicContact CB-CE2 4.09Å; I143-Y145 HydrophobicContact CG2-CD2 4.15Å; I143-Y145 HydrophobicContact CG2-CE1 4.1Å; I143-Y145 HydrophobicContact CG2-CE2 3.69Å; Y145-V308 HydrophobicContact CD1-CG1 4.35Å; Y145-V308 HydrophobicContact CD2-CG1 3.91Å; Y145-V308 HydrophobicContact CE2-CG1 4.37Å; Y145-V308 HydrophobicContact CG-CB 4.49Å; Y145-V308 HydrophobicContact CG-CG1 3.91Å; Y145-V308 HydrophobicContact CG-CG2 4.12Å; Y145-L311 HydrophobicContact CD1-CB 4.12Å; Y145-L311 HydrophobicContact CD1-CD1 4.04Å; Y145-L311 HydrophobicContact CE1-CB 3.68Å; Y145-L311 HydrophobicContact CE1-CD1 4.4Å
146	V	92.4	Very high	88.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.1	-178.5	-171.1	0	0	0	0	110.1	C22 Q23 Y25 F66 F73 F134 L135 Y152	C22-V146 WeakPolarHBondContact CA-O 3.35Å; Q23-V146 PolarHBondContact N-O 3.45Å; Q23-V146 VanDerWaalsContact N-O 3.1Å; Q23-V146 PolarHBondContact O-N 3.21Å; Y25-V146 HydrophobicContact CD2-CB 4.27Å; Y25-V146 HydrophobicContact CD2-CG2 3.65Å; Y25-V146 HydrophobicContact CE2-CB 3.87Å; Y25-V146 HydrophobicContact CE2-CG2 3.64Å; F66-V146 HydrophobicContact CE2-CG2 3.74Å; F66-V146 HydrophobicContact CZ-CG2 4.49Å; F73-V146 HydrophobicContact CE2-CG1 4.16Å; F134-V146 WeakPolarHBondContact O-CA 3.42Å; L135-V146 HydrophobicContact CD1-CG2 3.9Å; V146-Y152 HydrophobicContact CG1-CE2 3.71Å
147	G	93	Very high	88.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.5	173.1	0	0	0	0	0	111.4	C21 G133 F134 N304	C21-G147 CarbonylContact O-C 3.57Å; C21-G147 VanDerWaalsContact O-CA 3.24Å; C21-G147 WeakPolarHBondContact O-CA 3.27Å; G133-G147 CarbonylContact C-O 3.45Å; G133-G147 WeakPolarHBondContact CA-O 3.24Å; F134-G147 PolarHBondContact N-O 3.32Å; F134-G147 PolarHBondContact O-N 2.91Å; G147-N304 VanDerWaalsContact CA-OD1 3.25Å; G147-N304 WeakPolarHBondContact CA-OD1 3.49Å
148	S	92.9	Very high	88.6	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.8	-178.5	53.9	0	0	0	0	110.1	F20 C21 F150 Y152	F20-S148 WeakPolarHBondContact CD2-O 3.27Å; C21-S148 PolarHBondContact N-O 3.3Å; C21-S148 PolarHBondContact O-N 3Å; C21-S148 VanDerWaalsContact O-O 3.1Å; C21-S148 PolarHBondContact SG-O 2.97Å; C21-S148 VanDerWaalsContact SG-O 3.41Å; S148-F150 VanDerWaalsContact C-N 3.31Å; S148-F150 PolarHBondContact O-N 2.92Å; S148-F150 PolarHBondContact OG-O 3.18Å; S148-Y152 WeakPolarHBondContact CB-OH 3.17Å
149	Q	90.9	Very high	89.1	Confident	35 Å²	35	50.1 Å²	50.1	16%	0.164	24%	0.242	C	C	.	.	S	Bend	trans	-62.8	-41.2	175.3	-174.9	173.8	0	0	0	111.8	L19 C124 V127	L19-Q149 WeakPolarHBondContact O-CG 3.3Å; C124-Q149 PolarHBondContact O-NE2 2.87Å; V127-Q149 HydrophobicContact CG2-CB 4.24Å
150	F	89.9	Confident	89.6	Confident	27 Å²	27	45.1 Å²	45.1	12%	0.118	22%	0.219	C	C	.	.	S	Bend	trans	-133.9	151.6	-178.4	-58.6	-59.7	0	0	0	111.2	V18 F116 S148 F157	V18-F150 HydrophobicContact CB-CD1 4.25Å; V18-F150 HydrophobicContact CB-CE1 4.12Å; V18-F150 HydrophobicContact CG1-CD1 4.48Å; F116-F150 HydrophobicContact CE1-CD2 4.25Å; S148-F150 VanDerWaalsContact C-N 3.31Å; S148-F150 PolarHBondContact O-N 2.92Å; S148-F150 PolarHBondContact OG-O 3.18Å; F150-F157 HydrophobicContact CB-CD2 3.95Å; F150-F157 HydrophobicContact CB-CE2 4.1Å; F150-F157 HydrophobicContact CD1-CD2 4.19Å; F150-F157 AromaticContact CD1-CE2 3.65Å; F150-F157 HydrophobicContact CD1-CE2 3.65Å; F150-F157 HydrophobicContact CE1-CE2 4.25Å; F150-F157 HydrophobicContact CG-CD2 4.24Å; F150-F157 AromaticContact CG-CE2 3.88Å; F150-F157 HydrophobicContact CG-CE2 3.88Å
151	P	89.6	Confident	90.4	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.052	19%	0.189	C	C	.	.			trans	-63.1	140.7	170.5	-19.9	31.7	0	0	0	111.4	C21 V156 V160	C21-P151 VanDerWaalsContact SG-CD 3.52Å; C21-P151 VanDerWaalsContact SG-N 3.4Å; P151-V156 HydrophobicContact CB-CB 4.04Å; P151-V156 HydrophobicContact CB-CG1 3.57Å; P151-V156 HydrophobicContact CG-CG1 3.87Å; P151-V160 HydrophobicContact CG-CB 4.22Å; P151-V160 HydrophobicContact CG-CG1 4.47Å; P151-V160 HydrophobicContact CG-CG2 3.98Å
152	Y	83.9	Confident	91.1	Very high	41 Å²	41	39.9 Å²	39.9	16%	0.161	19%	0.189	C	C	.	.	S	Bend	trans	-74.9	-26.9	179.3	-59.5	-61.4	0	0	0	113.8	F73 C76 P132 V146 S148	F73-Y152 HydrophobicContact CD2-CD2 4.46Å; F73-Y152 AromaticContact CD2-CE2 3.9Å; F73-Y152 HydrophobicContact CD2-CE2 3.9Å; F73-Y152 HydrophobicContact CE2-CE2 4.18Å; C76-Y152 HydrophobicContact CB-CD1 3.96Å; C76-Y152 HydrophobicContact CB-CE1 3.87Å; C76-Y152 WeakPolarHBondContact SG-CE1 3.48Å; P132-Y152 PolarHBondContact O-OH 3.27Å; V146-Y152 HydrophobicContact CG1-CE2 3.71Å; S148-Y152 WeakPolarHBondContact CB-OH 3.17Å
153	H	85.6	Confident	91.6	Very high	80 Å²	80	33.4 Å²	33.4	37%	0.37	17%	0.166	S	C	.	.	S	Bend	trans	-81.6	125.4	178.3	-165.8	-87.6	0	0	0	110.8	E155 V156 F157	H153-E155 IonicContact CE1-OE2 3.67Å; H153-E155 PolarHBondContact ND1-N 3.06Å; H153-E155 PolarHBondContact O-N 3.47Å; H153-V156 HydrophobicContact CB-CB 4.08Å; H153-V156 HydrophobicContact CB-CG2 3.86Å; H153-V156 PolarHBondContact O-N 3.41Å; H153-V156 VanDerWaalsContact O-N 3.1Å; H153-F157 PolarHBondContact O-N 3.48Å
154	P	87.9	Confident	92	Very high	58 Å²	58	33.2 Å²	33.2	38%	0.377	17%	0.165	S	C	.	.	H	α-helix	trans	-58.2	-39.2	-174.8	-27.1	34.6	0	0	0	115	F157 T158	P154-F157 WeakPolarHBondContact O-CB 3.27Å; P154-F157 PolarHBondContact O-N 3.15Å; P154-T158 PolarHBondContact O-N 2.95Å; P154-T158 PolarHBondContact O-OG1 3.18Å
155	E	89.4	Confident	92.2	Very high	134 Å²	134	36.2 Å²	36.2	63%	0.626	18%	0.18	S	C	*	.	H	α-helix	trans	-67.4	-40.3	177.4	-61.5	179.1	169.9	0	0	111.4	H153 T158 I159	H153-E155 IonicContact CE1-OE2 3.67Å; H153-E155 PolarHBondContact ND1-N 3.06Å; H153-E155 PolarHBondContact O-N 3.47Å; E155-T158 WeakPolarHBondContact O-CB 3.28Å; E155-T158 PolarHBondContact O-N 3.47Å; E155-I159 WeakPolarHBondContact O-CG1 3.48Å; E155-I159 PolarHBondContact O-N 2.93Å
156	V	91.7	Very high	92.4	Very high	17 Å²	17	40.4 Å²	40.4	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-41.6	177.8	177.6	0	0	0	0	110	M1 V4 P151 H153 T158 I159 V160	M1-V156 HydrophobicContact CE-CB 4.48Å; M1-V156 HydrophobicContact CE-CG1 3.62Å; M1-V156 HydrophobicContact CE-CG2 4.4Å; M1-V156 HydrophobicContact CG-CG2 4.31Å; M1-V156 HydrophobicContact SD-CG1 4.39Å; M1-V156 HydrophobicContact SD-CG2 4.19Å; V4-V156 HydrophobicContact CG2-CG1 4.05Å; P151-V156 HydrophobicContact CB-CB 4.04Å; P151-V156 HydrophobicContact CB-CG1 3.57Å; P151-V156 HydrophobicContact CG-CG1 3.87Å; H153-V156 HydrophobicContact CB-CB 4.08Å; H153-V156 HydrophobicContact CB-CG2 3.86Å; H153-V156 PolarHBondContact O-N 3.41Å; H153-V156 VanDerWaalsContact O-N 3.1Å; V156-T158 VanDerWaalsContact C-N 3.3Å; V156-T158 PolarHBondContact O-N 2.93Å; V156-I159 PolarHBondContact O-N 2.82Å; V156-V160 HydrophobicContact CG1-CG2 4.15Å; V156-V160 WeakPolarHBondContact O-CB 3.48Å; V156-V160 VanDerWaalsContact O-CG2 3.29Å; V156-V160 WeakPolarHBondContact O-CG2 3.38Å; V156-V160 PolarHBondContact O-N 3.2Å
157	F	93.2	Very high	92.4	Very high	45 Å²	45	40.5 Å²	40.5	20%	0.197	20%	0.197	C	C	.	.	H	α-helix	trans	-55.8	-46.1	172.4	172.9	-96.3	0	0	0	111.5	Y115 F150 H153 P154 I159 V160 R161	Y115-F157 HydrophobicContact CD1-CE1 4.12Å; Y115-F157 HydrophobicContact CD1-CZ 4.32Å; Y115-F157 HydrophobicContact CE1-CE1 4.43Å; F150-F157 HydrophobicContact CB-CD2 3.95Å; F150-F157 HydrophobicContact CB-CE2 4.1Å; F150-F157 HydrophobicContact CD1-CD2 4.19Å; F150-F157 AromaticContact CD1-CE2 3.65Å; F150-F157 HydrophobicContact CD1-CE2 3.65Å; F150-F157 HydrophobicContact CE1-CE2 4.25Å; F150-F157 HydrophobicContact CG-CD2 4.24Å; F150-F157 AromaticContact CG-CE2 3.88Å; F150-F157 HydrophobicContact CG-CE2 3.88Å; H153-F157 PolarHBondContact O-N 3.48Å; P154-F157 WeakPolarHBondContact O-CB 3.27Å; P154-F157 PolarHBondContact O-N 3.15Å; F157-I159 PolarHBondContact O-N 2.9Å; F157-V160 PolarHBondContact O-N 3.42Å; F157-R161 WeakPolarHBondContact O-CB 3.43Å; F157-R161 PolarHBondContact O-N 3.47Å
158	T	94	Very high	92.4	Very high	90 Å²	90	41.1 Å²	41.1	55%	0.552	20%	0.2	S	C	*	.	H	α-helix	trans	-61.9	-45.2	179.6	-56.6	0	0	0	0	111.7	P154 E155 V156 R161 H162	P154-T158 PolarHBondContact O-N 2.95Å; P154-T158 PolarHBondContact O-OG1 3.18Å; E155-T158 WeakPolarHBondContact O-CB 3.28Å; E155-T158 PolarHBondContact O-N 3.47Å; V156-T158 VanDerWaalsContact C-N 3.3Å; V156-T158 PolarHBondContact O-N 2.93Å; T158-R161 PolarHBondContact O-N 3.13Å; T158-H162 WeakPolarHBondContact O-CB 3.12Å; T158-H162 PolarHBondContact O-N 3.1Å
159	I	95.2	Very high	92.3	Very high	18 Å²	18	44.1 Å²	44.1	9%	0.092	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-51.3	177.5	-74.4	165.1	0	0	0	111.5	M1 E155 V156 F157 R161 H162 A163 C187 V214 M216	M1-I159 HydrophobicContact CE-CG2 4.32Å; M1-I159 HydrophobicContact SD-CD1 3.99Å; M1-I159 HydrophobicContact SD-CG2 4.17Å; E155-I159 WeakPolarHBondContact O-CG1 3.48Å; E155-I159 PolarHBondContact O-N 2.93Å; V156-I159 PolarHBondContact O-N 2.82Å; F157-I159 PolarHBondContact O-N 2.9Å; I159-R161 VanDerWaalsContact C-N 3.28Å; I159-R161 PolarHBondContact O-N 3.26Å; I159-H162 PolarHBondContact O-N 2.91Å; I159-A163 PolarHBondContact O-N 3.07Å; I159-C187 VanDerWaalsContact CG2-O 3.25Å; I159-C187 WeakPolarHBondContact CG2-O 3.39Å; I159-V214 HydrophobicContact CG2-CG1 3.41Å; I159-V214 VanDerWaalsContact CG2-CG1 3.41Å; I159-M216 HydrophobicContact CD1-CE 3.58Å
160	V	96.1	Very high	92	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-38.2	179.3	173.1	0	0	0	0	110.8	V4 A6 V18 P151 V156 F157 A163 C164 I212	V4-V160 HydrophobicContact CB-CG2 4.3Å; V4-V160 HydrophobicContact CG1-CG2 3.89Å; A6-V160 HydrophobicContact CB-CG1 4.07Å; V18-V160 HydrophobicContact CG1-CG1 4.29Å; V18-V160 HydrophobicContact CG2-CG1 3.96Å; P151-V160 HydrophobicContact CG-CB 4.22Å; P151-V160 HydrophobicContact CG-CG1 4.47Å; P151-V160 HydrophobicContact CG-CG2 3.98Å; V156-V160 HydrophobicContact CG1-CG2 4.15Å; V156-V160 WeakPolarHBondContact O-CB 3.48Å; V156-V160 VanDerWaalsContact O-CG2 3.29Å; V156-V160 WeakPolarHBondContact O-CG2 3.38Å; V156-V160 PolarHBondContact O-N 3.2Å; F157-V160 PolarHBondContact O-N 3.42Å; V160-A163 PolarHBondContact O-N 2.75Å; V160-C164 VanDerWaalsContact O-CB 3.31Å; V160-C164 WeakPolarHBondContact O-CB 3.31Å; V160-C164 PolarHBondContact O-N 2.83Å; V160-I212 HydrophobicContact CG1-CD1 4.29Å
161	R	95.3	Very high	91.6	Very high	55 Å²	55	46.5 Å²	46.5	21%	0.208	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-42.1	175.7	-178.7	64.5	-175.7	123.6	-10.7	111.9	P16 F157 T158 I159 C164 L165	P16-R161 PolarHBondContact O-NH1 3.33Å; P16-R161 PolarHBondContact O-NH2 3.4Å; F157-R161 WeakPolarHBondContact O-CB 3.43Å; F157-R161 PolarHBondContact O-N 3.47Å; T158-R161 PolarHBondContact O-N 3.13Å; I159-R161 VanDerWaalsContact C-N 3.28Å; I159-R161 PolarHBondContact O-N 3.26Å; R161-C164 WeakPolarHBondContact O-CB 3.43Å; R161-C164 PolarHBondContact O-N 3.37Å; R161-L165 HydrophobicContact CG-CD1 4.49Å; R161-L165 WeakPolarHBondContact O-CG 3.48Å; R161-L165 PolarHBondContact O-N 2.89Å
162	H	95.3	Very high	91	Very high	78 Å²	78	53.5 Å²	53.5	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-47	176.5	-173.5	84	0	0	0	111.6	T158 I159 C164 L165 R166	T158-H162 WeakPolarHBondContact O-CB 3.12Å; T158-H162 PolarHBondContact O-N 3.1Å; I159-H162 PolarHBondContact O-N 2.91Å; H162-C164 VanDerWaalsContact C-N 3.33Å; H162-C164 PolarHBondContact O-N 3.43Å; H162-L165 PolarHBondContact O-N 3.48Å; H162-L165 VanDerWaalsContact O-N 3.15Å; H162-R166 PolarHBondContact O-N 2.99Å
163	A	96.3	Very high	90.4	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-43.4	175.9	0	0	0	0	0	112.2	I159 V160 L165 R166 S167 F182 C190 I212 V214	I159-A163 PolarHBondContact O-N 3.07Å; V160-A163 PolarHBondContact O-N 2.75Å; A163-L165 PolarHBondContact O-N 3.32Å; A163-R166 PolarHBondContact O-N 3.49Å; A163-S167 WeakPolarHBondContact O-CB 3.41Å; A163-S167 PolarHBondContact O-N 2.97Å; A163-S167 PolarHBondContact O-OG 3.09Å; A163-F182 WeakPolarHBondContact O-CZ 3.48Å; A163-C190 HydrophobicContact CB-CB 4.07Å; A163-I212 HydrophobicContact CB-CD1 3.86Å; A163-V214 HydrophobicContact CB-CG2 3.64Å
164	C	96.6	Very high	89.5	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-43.4	173.4	168.6	0	0	0	0	113.2	C8 V18 V160 R161 H162 S167 L168 I212	C8-C164 HydrophobicContact CB-CB 4.32Å; C8-C164 VanDerWaalsContact SG-CB 3.59Å; V18-C164 HydrophobicContact CG2-CB 3.76Å; V160-C164 VanDerWaalsContact O-CB 3.31Å; V160-C164 WeakPolarHBondContact O-CB 3.31Å; V160-C164 PolarHBondContact O-N 2.83Å; R161-C164 WeakPolarHBondContact O-CB 3.43Å; R161-C164 PolarHBondContact O-N 3.37Å; H162-C164 VanDerWaalsContact C-N 3.33Å; H162-C164 PolarHBondContact O-N 3.43Å; C164-S167 PolarHBondContact O-OG 2.85Å; C164-L168 PolarHBondContact O-N 2.95Å; C164-I212 HydrophobicContact CB-CD1 4.49Å
165	L	95.7	Very high	88.6	Confident	63 Å²	63	54.9 Å²	54.9	33%	0.33	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-45	177.2	-74.3	164.9	0	0	0	111.2	P16 R161 H162 A163 S169	P16-L165 HydrophobicContact CB-CD2 4.06Å; P16-L165 HydrophobicContact CG-CD2 4Å; R161-L165 HydrophobicContact CG-CD1 4.49Å; R161-L165 WeakPolarHBondContact O-CG 3.48Å; R161-L165 PolarHBondContact O-N 2.89Å; H162-L165 PolarHBondContact O-N 3.48Å; H162-L165 VanDerWaalsContact O-N 3.15Å; A163-L165 PolarHBondContact O-N 3.32Å; L165-S169 WeakPolarHBondContact O-CB 3.29Å; L165-S169 PolarHBondContact O-N 3.49Å; L165-S169 VanDerWaalsContact O-N 3.17Å; L165-S169 PolarHBondContact O-OG 3.41Å
166	R	94.6	Very high	88.1	Confident	90 Å²	90	59.2 Å²	59.2	34%	0.34	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-50	179.8	-71.7	-71.1	-64.4	-172	-6.2	111.5	H162 A163 L168 S169 C170 E171 F182	H162-R166 PolarHBondContact O-N 2.99Å; A163-R166 PolarHBondContact O-N 3.49Å; R166-L168 VanDerWaalsContact C-N 3.26Å; R166-L168 PolarHBondContact O-N 3.49Å; R166-S169 PolarHBondContact O-N 3.18Å; R166-C170 PolarHBondContact O-N 3.22Å; R166-E171 HydrophobicContact CB-CG 4.14Å; R166-E171 IonicContact CZ-OE1 2.74Å; R166-E171 IonicContact NE-OE1 3.6Å; R166-E171 PolarHBondContact NE-OE1 3.1Å; R166-E171 VanDerWaalsContact NH2-CD 3.26Å; R166-E171 IonicContact NH2-OE1 3.73Å; R166-E171 PolarHBondContact NH2-OE1 3.45Å; R166-E171 IonicContact NH2-OE2 3.39Å; R166-E171 PolarHBondContact NH2-OE2 2.9Å; R166-E171 WeakPolarHBondContact O-CG 3.45Å; R166-E171 PolarHBondContact O-N 3.01Å; R166-F182 HydrophobicContact CB-CD2 3.99Å; R166-F182 HydrophobicContact CB-CE1 4.46Å; R166-F182 HydrophobicContact CB-CE2 3.31Å; R166-F182 HydrophobicContact CB-CZ 3.59Å; R166-F182 HydrophobicContact CG-CD2 4.36Å; R166-F182 HydrophobicContact CG-CE2 3.92Å
167	S	94.1	Very high	88.1	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-27.3	-173.3	68	0	0	0	0	114.5	A163 C164	A163-S167 WeakPolarHBondContact O-CB 3.41Å; A163-S167 PolarHBondContact O-N 2.97Å; A163-S167 PolarHBondContact O-OG 3.09Å; C164-S167 PolarHBondContact O-OG 2.85Å
168	L	92.7	Very high	88	Confident	14 Å²	14	60.1 Å²	60.1	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-104.2	-15.6	-176.9	-68.3	168.6	0	0	0	114.4	C8 H9 P16 C164 R166 L208	C8-L168 HydrophobicContact CB-CD1 3.85Å; H9-L168 WeakPolarHBondContact O-CD1 3.5Å; P16-L168 HydrophobicContact CB-CB 4.18Å; P16-L168 HydrophobicContact CB-CD1 3.94Å; P16-L168 HydrophobicContact CG-CB 4.4Å; C164-L168 PolarHBondContact O-N 2.95Å; R166-L168 VanDerWaalsContact C-N 3.26Å; R166-L168 PolarHBondContact O-N 3.49Å; L168-L208 HydrophobicContact CD2-CD2 3.87Å; L168-L208 HydrophobicContact CD2-CG 3.8Å
169	S	89.6	Confident	88.1	Confident	66 Å²	66	58 Å²	58	46%	0.462	31%	0.31	S	S	.	.	H	α-helix	trans	-134.5	-27.5	-169.6	-7.7	0	0	0	0	115.4	P16 L165 R166	P16-S169 WeakPolarHBondContact CG-OG 3.28Å; L165-S169 WeakPolarHBondContact O-CB 3.29Å; L165-S169 PolarHBondContact O-N 3.49Å; L165-S169 VanDerWaalsContact O-N 3.17Å; L165-S169 PolarHBondContact O-OG 3.41Å; R166-S169 PolarHBondContact O-N 3.18Å
170	C	84.4	Confident	88	Confident	67 Å²	67	58 Å²	58	45%	0.453	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-32.5	-171.6	-54.6	0	0	0	0	112.8	R166	R166-C170 PolarHBondContact O-N 3.22Å
171	E	83	Confident	87.9	Confident	44 Å²	44	60.9 Å²	60.9	21%	0.206	32%	0.323	C	S	.	.			trans	-93.3	136.1	178.7	-51.2	-65.7	-177.6	0	0	110.4	R166 I180 F182	R166-E171 HydrophobicContact CB-CG 4.14Å; R166-E171 IonicContact CZ-OE1 2.74Å; R166-E171 IonicContact NE-OE1 3.6Å; R166-E171 PolarHBondContact NE-OE1 3.1Å; R166-E171 VanDerWaalsContact NH2-CD 3.26Å; R166-E171 IonicContact NH2-OE1 3.73Å; R166-E171 PolarHBondContact NH2-OE1 3.45Å; R166-E171 IonicContact NH2-OE2 3.39Å; R166-E171 PolarHBondContact NH2-OE2 2.9Å; R166-E171 WeakPolarHBondContact O-CG 3.45Å; R166-E171 PolarHBondContact O-N 3.01Å; E171-I180 HydrophobicContact CB-CD1 3.83Å; E171-I180 HydrophobicContact CB-CG2 3.97Å; E171-I180 HydrophobicContact CG-CG2 4.4Å; E171-F182 HydrophobicContact CG-CB 4.4Å; E171-F182 HydrophobicContact CG-CD1 3.65Å; E171-F182 HydrophobicContact CG-CD2 4.43Å; E171-F182 HydrophobicContact CG-CE1 3.94Å; E171-F182 HydrophobicContact CG-CG 3.91Å; E171-F182 HydrophobicContact CG-CZ 4.46Å; E171-F182 VanDerWaalsContact OE1-CB 3.24Å; E171-F182 WeakPolarHBondContact OE1-CB 3.37Å; E171-F182 VanDerWaalsContact OE1-CG 3.27Å; E171-F182 WeakPolarHBondContact OE1-CG 3.32Å
172	I	75.9	Confident	87.9	Confident	156 Å²	156	59.2 Å²	59.2	80%	0.8	32%	0.317	S	S	*	.			trans	-111.6	115.5	-177.6	-58.8	172.4	0	0	0	107.6
173	C	71	Confident	87.7	Confident	17 Å²	17	57.4 Å²	57.4	12%	0.115	32%	0.32	C	S	.	.			trans	-63.4	134.2	167.3	-68.7	0	0	0	0	109.6	G175 I180	C173-G175 PolarHBondContact O-N 3.29Å; C173-G175 VanDerWaalsContact O-O 3.07Å; C173-I180 WeakPolarHBondContact SG-CD1 3.45Å; C173-I180 WeakPolarHBondContact SG-CG1 3.4Å
174	P	67.2	Low	87.5	Confident	135 Å²	135	60.5 Å²	60.5	88%	0.877	34%	0.336	S	S	*	.	S	Bend	trans	-68.6	87.9	160.5	27.6	-30.1	0	0	0	108.8
175	G	70.3	Confident	87.2	Confident	55 Å²	55	65.2 Å²	65.2	57%	0.567	37%	0.368	S	S	*	.	S	Bend	trans	131	168.5	-171.8	0	0	0	0	0	111.9	C173 E177	C173-G175 PolarHBondContact O-N 3.29Å; C173-G175 VanDerWaalsContact O-O 3.07Å; G175-E177 VanDerWaalsContact C-N 3.33Å
176	R	78.9	Confident	86.9	Confident	226 Å²	226	67.6 Å²	67.6	85%	0.853	39%	0.385	S	S	*	.	S	Bend	trans	-72.6	-27.4	176.3	-71.8	-168.6	-176.4	-172.5	2.5	112.9
177	E	90.7	Very high	86.7	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.332	38%	0.381	S	S	.	.	S	Bend	trans	-145.6	152	-175.7	-55.1	-169.4	171.3	0	0	109.5	G175 T194 F195 N196 Q240	G175-E177 VanDerWaalsContact C-N 3.33Å; E177-T194 CarbonylContact C-O 3.55Å; E177-T194 VanDerWaalsContact CA-O 3.25Å; E177-T194 WeakPolarHBondContact CA-O 3.34Å; E177-T194 WeakPolarHBondContact CB-O 3.3Å; E177-F195 HydrophobicContact CG-CB 4.48Å; E177-N196 VanDerWaalsContact OE1-CB 3.25Å; E177-N196 WeakPolarHBondContact OE1-CB 3.2Å; E177-N196 PolarHBondContact OE1-N 3.43Å; E177-N196 PolarHBondContact OE1-ND2 2.84Å; E177-Q240 PolarHBondContact OE1-NE2 2.94Å; E177-Q240 PolarHBondContact OE2-NE2 3.43Å
178	G	92	Very high	86.6	Confident	9 Å²	9	65.1 Å²	65.1	9%	0.093	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.7	-177.9	175.3	0	0	0	0	0	114.7	T194	G178-T194 PolarHBondContact N-O 3.39Å; G178-T194 PolarHBondContact O-N 2.92Å
179	P	94.4	Very high	86.8	Confident	45 Å²	45	66.6 Å²	66.6	29%	0.292	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145.6	-179.3	32.6	-35.4	0	0	0	112.8	C192 Y193 Y225 V229	P179-C192 CarbonylContact C-O 3.56Å; P179-C192 WeakPolarHBondContact CA-O 3.19Å; P179-Y193 HydrophobicContact CB-CD2 4.22Å; P179-Y225 WeakPolarHBondContact CG-OH 3.47Å; P179-V229 HydrophobicContact CB-CG1 4.05Å; P179-V229 HydrophobicContact CB-CG2 3.65Å; P179-V229 HydrophobicContact CG-CG1 3.96Å; P179-V229 HydrophobicContact CG-CG2 4.2Å
180	I	93.5	Very high	87.1	Confident	19 Å²	19	63.6 Å²	63.6	10%	0.097	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.2	171.2	-41.1	176.3	0	0	0	108.6	E171 C173 F182 L191 C192	E171-I180 HydrophobicContact CB-CD1 3.83Å; E171-I180 HydrophobicContact CB-CG2 3.97Å; E171-I180 HydrophobicContact CG-CG2 4.4Å; C173-I180 WeakPolarHBondContact SG-CD1 3.45Å; C173-I180 WeakPolarHBondContact SG-CG1 3.4Å; I180-F182 HydrophobicContact CG2-CD1 3.99Å; I180-L191 WeakPolarHBondContact O-CA 3.38Å; I180-C192 PolarHBondContact N-O 3.06Å; I180-C192 PolarHBondContact O-N 3.22Å
181	F	94.6	Very high	87.7	Confident	61 Å²	61	60.4 Å²	60.4	27%	0.268	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.2	170.7	-179.6	-92.2	0	0	0	110.4	Y189 C190 L191 R218 L221 L222	F181-Y189 HydrophobicContact CE1-CD1 4.42Å; F181-Y189 AromaticContact CZ-CD1 3.97Å; F181-Y189 HydrophobicContact CZ-CD1 3.97Å; F181-Y189 HydrophobicContact CZ-CG 4.35Å; F181-C190 WeakPolarHBondContact CA-O 3.28Å; F181-L191 HydrophobicContact CB-CD1 4.24Å; F181-L191 HydrophobicContact CD2-CB 4.15Å; F181-L191 HydrophobicContact CD2-CD1 4.44Å; F181-R218 HydrophobicContact CZ-CG 3.97Å; F181-L221 HydrophobicContact CE2-CB 3.83Å; F181-L221 HydrophobicContact CE2-CD1 3.88Å; F181-L222 HydrophobicContact CD1-CD2 4.05Å; F181-L222 HydrophobicContact CD2-CD2 3.84Å; F181-L222 HydrophobicContact CE1-CD1 4.46Å; F181-L222 HydrophobicContact CE1-CD2 3.97Å; F181-L222 HydrophobicContact CE1-CG 4.42Å; F181-L222 HydrophobicContact CE2-CD2 3.76Å; F181-L222 HydrophobicContact CE2-CG 4.11Å; F181-L222 HydrophobicContact CG-CD2 3.99Å; F181-L222 HydrophobicContact CZ-CD1 4.32Å; F181-L222 HydrophobicContact CZ-CD2 3.83Å; F181-L222 HydrophobicContact CZ-CG 3.99Å
182	F	94.9	Very high	88.4	Confident	20 Å²	20	58.3 Å²	58.3	9%	0.088	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	173.3	178.2	62.6	-90	0	0	0	111.5	A163 R166 E171 I180 C190	A163-F182 WeakPolarHBondContact O-CZ 3.48Å; R166-F182 HydrophobicContact CB-CD2 3.99Å; R166-F182 HydrophobicContact CB-CE1 4.46Å; R166-F182 HydrophobicContact CB-CE2 3.31Å; R166-F182 HydrophobicContact CB-CZ 3.59Å; R166-F182 HydrophobicContact CG-CD2 4.36Å; R166-F182 HydrophobicContact CG-CE2 3.92Å; E171-F182 HydrophobicContact CG-CB 4.4Å; E171-F182 HydrophobicContact CG-CD1 3.65Å; E171-F182 HydrophobicContact CG-CD2 4.43Å; E171-F182 HydrophobicContact CG-CE1 3.94Å; E171-F182 HydrophobicContact CG-CG 3.91Å; E171-F182 HydrophobicContact CG-CZ 4.46Å; E171-F182 VanDerWaalsContact OE1-CB 3.24Å; E171-F182 WeakPolarHBondContact OE1-CB 3.37Å; E171-F182 VanDerWaalsContact OE1-CG 3.27Å; E171-F182 WeakPolarHBondContact OE1-CG 3.32Å; I180-F182 HydrophobicContact CG2-CD1 3.99Å; F182-C190 HydrophobicContact CD1-CB 4.45Å; F182-C190 HydrophobicContact CD2-CB 4.14Å; F182-C190 HydrophobicContact CE1-CB 4.02Å; F182-C190 HydrophobicContact CE2-CB 3.65Å; F182-C190 HydrophobicContact CZ-CB 3.59Å; F182-C190 WeakPolarHBondContact CZ-SG 3.43Å; F182-C190 PolarHBondContact N-O 3.36Å; F182-C190 PolarHBondContact O-N 3.31Å
183	G	92.3	Very high	89.3	Confident	40 Å²	40	52.4 Å²	52.4	41%	0.412	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	126	-179.4	172.4	0	0	0	0	0	113.8	G188	G183-G188 VanDerWaalsContact CA-O 3.27Å; G183-G188 WeakPolarHBondContact CA-O 3.25Å
184	D	91.9	Very high	90.5	Very high	70 Å²	70	52 Å²	52	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-179.7	-173.7	64	40.7	0	0	0	111.8	V186 C187 G188	D184-V186 PolarHBondContact O-N 3.47Å; D184-V186 WeakPolarHBondContact OD1-CA 3.25Å; D184-V186 PolarHBondContact OD1-N 2.9Å; D184-C187 PolarHBondContact OD1-N 2.92Å; D184-G188 PolarHBondContact N-O 3.09Å; D184-G188 VanDerWaalsContact N-O 3.13Å; D184-G188 CarbonylContact O-C 3.09Å; D184-G188 VanDerWaalsContact O-C 3.24Å; D184-G188 WeakPolarHBondContact O-CA 3.43Å; D184-G188 PolarHBondContact O-N 3.08Å
185	S	90.5	Very high	91.9	Very high	98 Å²	98	45.6 Å²	45.6	69%	0.685	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-9	-178.3	57.5	0	0	0	0	114.7
186	V	88.7	Confident	93.1	Very high	113 Å²	113	44.4 Å²	44.4	69%	0.685	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-50	-176.2	-178.4	0	0	0	0	110.6	D184	D184-V186 PolarHBondContact O-N 3.47Å; D184-V186 WeakPolarHBondContact OD1-CA 3.25Å; D184-V186 PolarHBondContact OD1-N 2.9Å
187	C	89.7	Confident	93.9	Very high	38 Å²	38	33.7 Å²	33.7	26%	0.257	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.8	179.6	-67.7	0	0	0	0	113.2	I159 D184	I159-C187 VanDerWaalsContact CG2-O 3.25Å; I159-C187 WeakPolarHBondContact CG2-O 3.39Å; D184-C187 PolarHBondContact OD1-N 2.92Å
188	G	93	Very high	94.1	Very high	4 Å²	4	34.9 Å²	34.9	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.8	170.6	-174.4	0	0	0	0	0	112.8	G183 D184	G183-G188 VanDerWaalsContact CA-O 3.27Å; G183-G188 WeakPolarHBondContact CA-O 3.25Å; D184-G188 PolarHBondContact N-O 3.09Å; D184-G188 VanDerWaalsContact N-O 3.13Å; D184-G188 CarbonylContact O-C 3.09Å; D184-G188 VanDerWaalsContact O-C 3.24Å; D184-G188 WeakPolarHBondContact O-CA 3.43Å; D184-G188 PolarHBondContact O-N 3.08Å
189	Y	96.3	Very high	94.2	Very high	45 Å²	45	34.5 Å²	34.5	18%	0.176	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.6	178	-58.8	-84.2	0	0	0	110.3	F181 V214 S215 R218 L221	F181-Y189 HydrophobicContact CE1-CD1 4.42Å; F181-Y189 AromaticContact CZ-CD1 3.97Å; F181-Y189 HydrophobicContact CZ-CD1 3.97Å; F181-Y189 HydrophobicContact CZ-CG 4.35Å; Y189-V214 CarbonylContact O-C 3.44Å; Y189-V214 VanDerWaalsContact O-CA 3.32Å; Y189-V214 WeakPolarHBondContact O-CA 3.36Å; Y189-S215 PolarHBondContact N-O 3.23Å; Y189-S215 PolarHBondContact O-N 2.76Å; Y189-R218 HydrophobicContact CD1-CB 4.17Å; Y189-R218 HydrophobicContact CD1-CG 3.93Å; Y189-R218 HydrophobicContact CD2-CB 3.71Å; Y189-R218 HydrophobicContact CD2-CG 4.37Å; Y189-R218 HydrophobicContact CE1-CB 4.1Å; Y189-R218 HydrophobicContact CE1-CG 3.91Å; Y189-R218 HydrophobicContact CE2-CB 3.66Å; Y189-R218 HydrophobicContact CE2-CG 4.38Å; Y189-R218 HydrophobicContact CG-CB 3.97Å; Y189-R218 HydrophobicContact CG-CG 4.15Å; Y189-L221 WeakPolarHBondContact O-CD1 3.29Å
190	C	96.7	Very high	93.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125	-177.5	178.8	0	0	0	0	110	A163 F181 F182 V213 V214	A163-C190 HydrophobicContact CB-CB 4.07Å; F181-C190 WeakPolarHBondContact CA-O 3.28Å; F182-C190 HydrophobicContact CD1-CB 4.45Å; F182-C190 HydrophobicContact CD2-CB 4.14Å; F182-C190 HydrophobicContact CE1-CB 4.02Å; F182-C190 HydrophobicContact CE2-CB 3.65Å; F182-C190 HydrophobicContact CZ-CB 3.59Å; F182-C190 WeakPolarHBondContact CZ-SG 3.43Å; F182-C190 PolarHBondContact N-O 3.36Å; F182-C190 PolarHBondContact O-N 3.31Å; C190-V213 WeakPolarHBondContact CA-O 3.39Å; C190-V214 HydrophobicContact CB-CG2 4.27Å
191	L	97	Very high	93.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.6	162.5	177.2	58.6	0	0	0	107.5	I180 F181 I212 V213 L221 Y225 F228 V229	I180-L191 WeakPolarHBondContact O-CA 3.38Å; F181-L191 HydrophobicContact CB-CD1 4.24Å; F181-L191 HydrophobicContact CD2-CB 4.15Å; F181-L191 HydrophobicContact CD2-CD1 4.44Å; L191-I212 CarbonylContact O-C 3.47Å; L191-V213 PolarHBondContact N-O 2.95Å; L191-V213 PolarHBondContact O-N 3.29Å; L191-L221 HydrophobicContact CB-CD1 4.39Å; L191-L221 HydrophobicContact CB-CD2 4.36Å; L191-Y225 HydrophobicContact CD1-CD2 3.81Å; L191-Y225 HydrophobicContact CD1-CE2 3.53Å; L191-Y225 HydrophobicContact CD2-CD2 4Å; L191-F228 HydrophobicContact CD2-CB 3.4Å; L191-F228 VanDerWaalsContact CD2-CB 3.4Å; L191-F228 HydrophobicContact CD2-CD2 3.95Å; L191-F228 HydrophobicContact CD2-CG 4.01Å; L191-F228 HydrophobicContact CG-CB 4.49Å; L191-V229 HydrophobicContact CD1-CG2 4.22Å; L191-V229 HydrophobicContact CD2-CG2 4.34Å
192	C	96	Very high	93.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.3	179	64.9	0	0	0	0	112.7	P179 I180 I211 I212	P179-C192 CarbonylContact C-O 3.56Å; P179-C192 WeakPolarHBondContact CA-O 3.19Å; I180-C192 PolarHBondContact N-O 3.06Å; I180-C192 PolarHBondContact O-N 3.22Å; C192-I211 CarbonylContact C-O 3.44Å; C192-I211 WeakPolarHBondContact CA-O 3.23Å; C192-I211 WeakPolarHBondContact CB-O 3.32Å; C192-I212 HydrophobicContact CB-CB 4.03Å; C192-I212 HydrophobicContact CB-CG2 3.51Å
193	Y	96.6	Very high	92.5	Very high	33 Å²	33	42.6 Å²	42.6	13%	0.129	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.9	170.4	-164.8	-84.9	0	0	0	108.9	P179 F195 S210 I211 V229 L232 C233 A236	P179-Y193 HydrophobicContact CB-CD2 4.22Å; Y193-F195 HydrophobicContact CD1-CB 4.41Å; Y193-F195 HydrophobicContact CD1-CD1 4.17Å; Y193-F195 HydrophobicContact CE1-CB 4.27Å; Y193-S210 WeakPolarHBondContact O-CA 3.3Å; Y193-I211 PolarHBondContact N-O 2.94Å; Y193-I211 PolarHBondContact O-N 3.42Å; Y193-V229 HydrophobicContact CD2-CG1 4.42Å; Y193-V229 HydrophobicContact CE2-CG1 4.49Å; Y193-L232 HydrophobicContact CG-CB 4.23Å; Y193-C233 HydrophobicContact CD2-CB 4.31Å; Y193-C233 HydrophobicContact CE1-CB 4.46Å; Y193-C233 HydrophobicContact CE2-CB 3.79Å; Y193-C233 PolarHBondContact OH-SG 3.01Å; Y193-A236 HydrophobicContact CD1-CB 3.78Å; Y193-A236 HydrophobicContact CE1-CB 3.82Å
194	T	95.6	Very high	92.3	Very high	8 Å²	8	43 Å²	43	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133	-176.3	-62.9	0	0	0	0	110	E177 G178 L208 Y209 S210	E177-T194 CarbonylContact C-O 3.55Å; E177-T194 VanDerWaalsContact CA-O 3.25Å; E177-T194 WeakPolarHBondContact CA-O 3.34Å; E177-T194 WeakPolarHBondContact CB-O 3.3Å; G178-T194 PolarHBondContact N-O 3.39Å; G178-T194 PolarHBondContact O-N 2.92Å; T194-L208 HydrophobicContact CG2-CD1 3.54Å; T194-L208 HydrophobicContact CG2-CD2 4.47Å; T194-L208 HydrophobicContact CG2-CG 4.13Å; T194-Y209 WeakPolarHBondContact CA-O 3.02Å; T194-S210 PolarHBondContact OG1-OG 3.37Å; T194-S210 VanDerWaalsContact OG1-OG 3.05Å
195	F	96.2	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	159.5	-172.7	64.6	-80.4	0	0	0	111.7	L7 E177 Y193 V197 Y209 I211 A236 V239 Q240	L7-F195 HydrophobicContact CD1-CZ 4.38Å; E177-F195 HydrophobicContact CG-CB 4.48Å; Y193-F195 HydrophobicContact CD1-CB 4.41Å; Y193-F195 HydrophobicContact CD1-CD1 4.17Å; Y193-F195 HydrophobicContact CE1-CB 4.27Å; F195-V197 HydrophobicContact CD2-CG2 3.97Å; F195-V197 HydrophobicContact CE2-CG2 3.57Å; F195-Y209 HydrophobicContact CZ-CG 4.43Å; F195-Y209 PolarHBondContact N-O 3.49Å; F195-Y209 PolarHBondContact O-N 3.33Å; F195-Y209 VanDerWaalsContact O-O 3.05Å; F195-I211 HydrophobicContact CE1-CD1 3.79Å; F195-I211 HydrophobicContact CE1-CG1 3.87Å; F195-I211 HydrophobicContact CZ-CD1 4.19Å; F195-I211 HydrophobicContact CZ-CG1 4.38Å; F195-A236 HydrophobicContact CB-CB 4.14Å; F195-A236 HydrophobicContact CD1-CB 3.52Å; F195-A236 HydrophobicContact CD2-CB 3.91Å; F195-A236 HydrophobicContact CE1-CB 3.79Å; F195-A236 HydrophobicContact CE2-CB 4.13Å; F195-A236 HydrophobicContact CG-CB 3.59Å; F195-A236 HydrophobicContact CZ-CB 4.08Å; F195-V239 HydrophobicContact CE2-CB 4.18Å; F195-V239 HydrophobicContact CE2-CG1 4.17Å; F195-Q240 HydrophobicContact CD2-CG 3.82Å; F195-Q240 HydrophobicContact CE2-CG 4.4Å
196	N	95	Very high	92.3	Very high	31 Å²	31	43.4 Å²	43.4	17%	0.166	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.1	178.9	-58.1	-71.2	0	0	0	111.3	E177 H206 H207 L208 Q240	E177-N196 VanDerWaalsContact OE1-CB 3.25Å; E177-N196 WeakPolarHBondContact OE1-CB 3.2Å; E177-N196 PolarHBondContact OE1-N 3.43Å; E177-N196 PolarHBondContact OE1-ND2 2.84Å; N196-H206 HydrophobicContact CB-CB 4.25Å; N196-H206 PolarHBondContact OD1-CD2 2.83Å; N196-H207 CarbonylContact C-O 3.57Å; N196-H207 WeakPolarHBondContact CA-O 3.28Å; N196-L208 WeakPolarHBondContact OD1-CD1 3.48Å; N196-Q240 WeakPolarHBondContact O-CG 3.48Å; N196-Q240 PolarHBondContact O-NE2 2.86Å
197	V	96.2	Very high	92.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.6	174.8	178.6	0	0	0	0	108.2	F195 H206 H207 Y209 V239 A243 L293	F195-V197 HydrophobicContact CD2-CG2 3.97Å; F195-V197 HydrophobicContact CE2-CG2 3.57Å; V197-H206 CarbonylContact O-C 3.52Å; V197-H206 WeakPolarHBondContact O-CA 3.44Å; V197-H206 WeakPolarHBondContact O-CB 2.96Å; V197-H207 PolarHBondContact N-O 2.87Å; V197-H207 PolarHBondContact O-N 2.9Å; V197-Y209 HydrophobicContact CB-CD2 3.7Å; V197-Y209 HydrophobicContact CB-CE2 3.76Å; V197-Y209 HydrophobicContact CG1-CE2 4.37Å; V197-Y209 HydrophobicContact CG2-CD2 3.32Å; V197-Y209 HydrophobicContact CG2-CE2 3.75Å; V197-Y209 HydrophobicContact CG2-CG 3.81Å; V197-V239 HydrophobicContact CG2-CG1 3.85Å; V197-A243 HydrophobicContact CG1-CB 3.39Å; V197-L293 HydrophobicContact CG1-CD1 4.21Å
198	K	95.2	Very high	92.7	Very high	96 Å²	96	39.6 Å²	39.6	42%	0.417	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.1	179.3	-69.3	-176.9	178.8	177.6	0	111.1	F205 A244 F247	K198-F205 WeakPolarHBondContact CA-O 3.48Å; K198-A244 HydrophobicContact CD-CB 4.43Å; K198-F247 HydrophobicContact CB-CB 3.99Å; K198-F247 HydrophobicContact CB-CD2 3.74Å; K198-F247 HydrophobicContact CB-CE2 4.4Å; K198-F247 HydrophobicContact CB-CG 3.88Å; K198-F247 HydrophobicContact CD-CB 4.39Å; K198-F247 HydrophobicContact CD-CD1 4.06Å; K198-F247 HydrophobicContact CD-CE1 4.5Å; K198-F247 HydrophobicContact CD-CG 4.07Å
199	D	93.2	Very high	92.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	19%	0.191	C	C	.	.			trans	-146.3	118.2	174.6	175.8	-20.3	0	0	0	108.2	T201 A202 F205 H207 R288 L293	D199-T201 PolarHBondContact O-N 2.94Å; D199-T201 WeakPolarHBondContact OD1-CA 3.41Å; D199-T201 WeakPolarHBondContact OD1-CB 3.46Å; D199-T201 PolarHBondContact OD1-N 2.85Å; D199-T201 PolarHBondContact OD1-OG1 3.06Å; D199-A202 HydrophobicContact CB-CB 3.63Å; D199-A202 PolarHBondContact O-N 2.68Å; D199-A202 PolarHBondContact OD1-N 3.33Å; D199-A202 VanDerWaalsContact OD1-N 3.15Å; D199-F205 PolarHBondContact N-O 2.9Å; D199-F205 CarbonylContact O-C 3.58Å; D199-F205 WeakPolarHBondContact O-CA 3.41Å; D199-H207 IonicContact OD2-CD2 3.61Å; D199-H207 PolarHBondContact OD2-CD2 3.29Å; D199-H207 IonicContact OD2-NE2 3.85Å; D199-H207 PolarHBondContact OD2-NE2 2.99Å; D199-H207 VanDerWaalsContact OD2-NE2 3.11Å; D199-R288 IonicContact OD1-CZ 2.78Å; D199-R288 VanDerWaalsContact OD1-CZ 3.28Å; D199-R288 IonicContact OD1-NE 2.77Å; D199-R288 PolarHBondContact OD1-NE 3.46Å; D199-R288 IonicContact OD1-NH2 3.38Å; D199-R288 PolarHBondContact OD1-NH2 3.19Å; D199-R288 IonicContact OD2-NE 3.04Å; D199-R288 PolarHBondContact OD2-NE 2.93Å; D199-R288 IonicContact OD2-NH2 3.11Å; D199-L293 HydrophobicContact CB-CD2 3.78Å; D199-L293 VanDerWaalsContact OD2-CD2 3.28Å; D199-L293 WeakPolarHBondContact OD2-CD2 3.4Å
200	F	89.3	Confident	92.9	Very high	27 Å²	27	37.3 Å²	37.3	12%	0.118	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.9	-177.3	-171	-102.9	0	0	0	114.5	F205 F247 E250 Q251 D254	F200-F205 HydrophobicContact CD2-CD1 4.49Å; F200-F205 HydrophobicContact CD2-CE1 4.48Å; F200-F205 WeakPolarHBondContact O-CD1 3.49Å; F200-F205 WeakPolarHBondContact O-CE1 3.49Å; F200-F247 HydrophobicContact CB-CD2 3.95Å; F200-F247 HydrophobicContact CB-CE2 3.99Å; F200-F247 HydrophobicContact CD2-CE2 4.04Å; F200-F247 HydrophobicContact CD2-CZ 4.13Å; F200-E250 HydrophobicContact CB-CB 4.11Å; F200-E250 WeakPolarHBondContact CB-OE2 3.36Å; F200-E250 HydrophobicContact CD1-CB 4.48Å; F200-E250 HydrophobicContact CG-CB 4.25Å; F200-Q251 HydrophobicContact CD2-CB 4.15Å; F200-Q251 HydrophobicContact CE2-CB 3.99Å; F200-Q251 HydrophobicContact CE2-CG 4.21Å; F200-D254 HydrophobicContact CE1-CB 3.99Å; F200-D254 HydrophobicContact CZ-CB 3.67Å; F200-D254 WeakPolarHBondContact CZ-OD2 3.34Å
201	T	85.8	Confident	93	Very high	55 Å²	55	37.2 Å²	37.2	34%	0.337	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-16.4	-175.8	69.6	0	0	0	0	113.4	D199 S282 R288	D199-T201 PolarHBondContact O-N 2.94Å; D199-T201 WeakPolarHBondContact OD1-CA 3.41Å; D199-T201 WeakPolarHBondContact OD1-CB 3.46Å; D199-T201 PolarHBondContact OD1-N 2.85Å; D199-T201 PolarHBondContact OD1-OG1 3.06Å; T201-S282 PolarHBondContact O-OG 3.19Å; T201-R288 PolarHBondContact OG1-NE 3.15Å
202	A	86.1	Confident	93	Very high	11 Å²	11	37.2 Å²	37.2	9%	0.091	18%	0.181	C	C	.	.	S	Bend	trans	-73	153.1	179.3	0	0	0	0	0	112.6	D199 G204 F205 H207	D199-A202 HydrophobicContact CB-CB 3.63Å; D199-A202 PolarHBondContact O-N 2.68Å; D199-A202 PolarHBondContact OD1-N 3.33Å; D199-A202 VanDerWaalsContact OD1-N 3.15Å; A202-G204 PolarHBondContact O-N 2.96Å; A202-G204 VanDerWaalsContact O-N 3.17Å; A202-F205 PolarHBondContact O-N 2.88Å; A202-H207 VanDerWaalsContact CB-CE1 3.44Å; A202-H207 WeakPolarHBondContact CB-CE1 3.27Å; A202-H207 WeakPolarHBondContact CB-NE2 3.46Å
203	R	81.8	Confident	93.1	Very high	221 Å²	221	37.2 Å²	37.2	83%	0.834	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-63.3	120	172.8	-178.7	179.8	171.3	83.8	1.6	109.8	F205	R203-F205 VanDerWaalsContact C-N 3.29Å
204	G	86.5	Confident	93.1	Very high	48 Å²	48	35.7 Å²	35.7	50%	0.495	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	81.6	8.1	-177.4	0	0	0	0	0	114	A202 H206	A202-G204 PolarHBondContact O-N 2.96Å; A202-G204 VanDerWaalsContact O-N 3.17Å; G204-H206 VanDerWaalsContact C-N 3.3Å; G204-H206 PolarHBondContact O-CE1 2.9Å; G204-H206 PolarHBondContact O-N 2.82Å; G204-H206 PolarHBondContact O-ND1 3.05Å
205	F	91.5	Very high	93.1	Very high	94 Å²	94	35.4 Å²	35.4	41%	0.412	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	68	18.5	175.7	-56.2	-67.8	0	0	0	116	K198 D199 F200 A202 R203 F247	K198-F205 WeakPolarHBondContact CA-O 3.48Å; D199-F205 PolarHBondContact N-O 2.9Å; D199-F205 CarbonylContact O-C 3.58Å; D199-F205 WeakPolarHBondContact O-CA 3.41Å; F200-F205 HydrophobicContact CD2-CD1 4.49Å; F200-F205 HydrophobicContact CD2-CE1 4.48Å; F200-F205 WeakPolarHBondContact O-CD1 3.49Å; F200-F205 WeakPolarHBondContact O-CE1 3.49Å; A202-F205 PolarHBondContact O-N 2.88Å; R203-F205 VanDerWaalsContact C-N 3.29Å; F205-F247 HydrophobicContact CB-CE2 3.93Å; F205-F247 HydrophobicContact CB-CZ 4.22Å; F205-F247 HydrophobicContact CD1-CE2 4.3Å; F205-F247 HydrophobicContact CG-CE2 4.46Å
206	H	92.8	Very high	92.9	Very high	83 Å²	83	39.1 Å²	39.1	38%	0.384	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.3	178.1	61.6	-79.7	0	0	0	112.8	N196 V197 G204	N196-H206 HydrophobicContact CB-CB 4.25Å; N196-H206 PolarHBondContact OD1-CD2 2.83Å; V197-H206 CarbonylContact O-C 3.52Å; V197-H206 WeakPolarHBondContact O-CA 3.44Å; V197-H206 WeakPolarHBondContact O-CB 2.96Å; G204-H206 VanDerWaalsContact C-N 3.3Å; G204-H206 PolarHBondContact O-CE1 2.9Å; G204-H206 PolarHBondContact O-N 2.82Å; G204-H206 PolarHBondContact O-ND1 3.05Å
207	H	92.1	Very high	92.6	Very high	23 Å²	23	41.4 Å²	41.4	11%	0.106	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.5	170.5	-74.4	-51.4	0	0	0	110.5	N196 V197 D199 A202 Y209	N196-H207 CarbonylContact C-O 3.57Å; N196-H207 WeakPolarHBondContact CA-O 3.28Å; V197-H207 PolarHBondContact N-O 2.87Å; V197-H207 PolarHBondContact O-N 2.9Å; D199-H207 IonicContact OD2-CD2 3.61Å; D199-H207 PolarHBondContact OD2-CD2 3.29Å; D199-H207 IonicContact OD2-NE2 3.85Å; D199-H207 PolarHBondContact OD2-NE2 2.99Å; D199-H207 VanDerWaalsContact OD2-NE2 3.11Å; A202-H207 VanDerWaalsContact CB-CE1 3.44Å; A202-H207 WeakPolarHBondContact CB-CE1 3.27Å; A202-H207 WeakPolarHBondContact CB-NE2 3.46Å; H207-Y209 HydrophobicContact CB-CD2 4.15Å; H207-Y209 HydrophobicContact CB-CE2 3.65Å
208	L	93.6	Very high	92.4	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.2	177.7	-172	66.8	0	0	0	110.5	H9 F10 L168 T194 N196	H9-L208 WeakPolarHBondContact CA-O 3.18Å; F10-L208 HydrophobicContact CB-CB 4.3Å; F10-L208 PolarHBondContact N-O 2.97Å; L168-L208 HydrophobicContact CD2-CD2 3.87Å; L168-L208 HydrophobicContact CD2-CG 3.8Å; T194-L208 HydrophobicContact CG2-CD1 3.54Å; T194-L208 HydrophobicContact CG2-CD2 4.47Å; T194-L208 HydrophobicContact CG2-CG 4.13Å; N196-L208 WeakPolarHBondContact OD1-CD1 3.48Å
209	Y	96.9	Very high	91.9	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.6	176.5	-78.2	-104.1	0	0	0	110.7	L7 C8 H9 L19 T194 F195 V197 H207 L290 L293	L7-Y209 HydrophobicContact CD1-CD1 4.05Å; L7-Y209 HydrophobicContact CD2-CD1 4.44Å; L7-Y209 HydrophobicContact CG-CD1 4.33Å; C8-Y209 WeakPolarHBondContact O-CA 3.3Å; H9-Y209 HydrophobicContact CB-CD1 3.73Å; H9-Y209 HydrophobicContact CB-CD2 4.33Å; H9-Y209 HydrophobicContact CB-CE1 3.64Å; H9-Y209 HydrophobicContact CB-CE2 4.23Å; H9-Y209 HydrophobicContact CB-CG 4.09Å; L19-Y209 HydrophobicContact CD1-CD1 4.22Å; L19-Y209 HydrophobicContact CD1-CE1 3.53Å; T194-Y209 WeakPolarHBondContact CA-O 3.02Å; F195-Y209 HydrophobicContact CZ-CG 4.43Å; F195-Y209 PolarHBondContact N-O 3.49Å; F195-Y209 PolarHBondContact O-N 3.33Å; F195-Y209 VanDerWaalsContact O-O 3.05Å; V197-Y209 HydrophobicContact CB-CD2 3.7Å; V197-Y209 HydrophobicContact CB-CE2 3.76Å; V197-Y209 HydrophobicContact CG1-CE2 4.37Å; V197-Y209 HydrophobicContact CG2-CD2 3.32Å; V197-Y209 HydrophobicContact CG2-CE2 3.75Å; V197-Y209 HydrophobicContact CG2-CG 3.81Å; H207-Y209 HydrophobicContact CB-CD2 4.15Å; H207-Y209 HydrophobicContact CB-CE2 3.65Å; Y209-L290 HydrophobicContact CE1-CD1 3.99Å; Y209-L293 HydrophobicContact CE2-CD1 4.49Å
210	S	97.3	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	129.3	174.2	-170.3	0	0	0	0	109.7	C8 Y193 T194	C8-S210 PolarHBondContact N-O 2.99Å; C8-S210 PolarHBondContact O-N 2.94Å; Y193-S210 WeakPolarHBondContact O-CA 3.3Å; T194-S210 PolarHBondContact OG1-OG 3.37Å; T194-S210 VanDerWaalsContact OG1-OG 3.05Å
211	I	98.3	Very high	91.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.1	167.1	-55.8	149.9	0	0	0	107.1	V5 A6 L7 C192 Y193 F195 L232 I235 A236 F307	V5-I211 HydrophobicContact CG1-CG2 3.96Å; A6-I211 CarbonylContact O-C 3.56Å; A6-I211 WeakPolarHBondContact O-CA 3.48Å; L7-I211 HydrophobicContact CD1-CG1 3.63Å; C192-I211 CarbonylContact C-O 3.44Å; C192-I211 WeakPolarHBondContact CA-O 3.23Å; C192-I211 WeakPolarHBondContact CB-O 3.32Å; Y193-I211 PolarHBondContact N-O 2.94Å; Y193-I211 PolarHBondContact O-N 3.42Å; F195-I211 HydrophobicContact CE1-CD1 3.79Å; F195-I211 HydrophobicContact CE1-CG1 3.87Å; F195-I211 HydrophobicContact CZ-CD1 4.19Å; F195-I211 HydrophobicContact CZ-CG1 4.38Å; I211-L232 HydrophobicContact CB-CD2 3.93Å; I211-L232 HydrophobicContact CG2-CD2 3.37Å; I211-I235 HydrophobicContact CD1-CB 3.85Å; I211-I235 HydrophobicContact CD1-CG2 3.57Å; I211-A236 HydrophobicContact CD1-CB 4.49Å; I211-F307 HydrophobicContact CG2-CE1 3.8Å; I211-F307 HydrophobicContact CG2-CZ 3.92Å
212	I	97.7	Very high	91.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.4	-175.2	70	175.3	0	0	0	110.3	V5 A6 V160 A163 C164 L191 C192 V214	V5-I212 CarbonylContact C-O 3.59Å; V5-I212 VanDerWaalsContact CA-O 3.28Å; V5-I212 WeakPolarHBondContact CA-O 3.44Å; A6-I212 HydrophobicContact CB-CD1 4.18Å; A6-I212 HydrophobicContact CB-CG1 3.78Å; A6-I212 PolarHBondContact N-O 2.94Å; A6-I212 PolarHBondContact O-N 3.16Å; V160-I212 HydrophobicContact CG1-CD1 4.29Å; A163-I212 HydrophobicContact CB-CD1 3.86Å; C164-I212 HydrophobicContact CB-CD1 4.49Å; L191-I212 CarbonylContact O-C 3.47Å; C192-I212 HydrophobicContact CB-CB 4.03Å; C192-I212 HydrophobicContact CB-CG2 3.51Å; I212-V214 HydrophobicContact CB-CG2 4.44Å; I212-V214 HydrophobicContact CD1-CG2 3.87Å; I212-V214 HydrophobicContact CG1-CG2 4.11Å
213	V	97.8	Very high	91.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.9	169.4	-173.6	0	0	0	0	107.2	A3 V4 V5 C190 L191 L221 F228 L232	A3-V213 HydrophobicContact CB-CG1 4.24Å; V4-V213 CarbonylContact O-C 3.18Å; V4-V213 WeakPolarHBondContact O-CA 3.48Å; V5-V213 HydrophobicContact CG1-CG2 4.35Å; V5-V213 HydrophobicContact CG2-CG1 4.41Å; V5-V213 HydrophobicContact CG2-CG2 4.19Å; C190-V213 WeakPolarHBondContact CA-O 3.39Å; L191-V213 PolarHBondContact N-O 2.95Å; L191-V213 PolarHBondContact O-N 3.29Å; V213-L221 HydrophobicContact CB-CD2 4.19Å; V213-L221 HydrophobicContact CG1-CD2 3.67Å; V213-F228 HydrophobicContact CG1-CD1 4.23Å; V213-F228 HydrophobicContact CG1-CE1 3.82Å; V213-F228 HydrophobicContact CG1-CZ 4.08Å; V213-F228 HydrophobicContact CG2-CD1 4.06Å; V213-F228 HydrophobicContact CG2-CE1 4.4Å; V213-L232 HydrophobicContact CG2-CD1 4.04Å; V213-L232 HydrophobicContact CG2-CD2 4.06Å; V213-L232 HydrophobicContact CG2-CG 4.43Å
214	V	96.7	Very high	92.1	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129	-173.1	-172.9	0	0	0	0	110.2	M1 A3 V4 I159 A163 Y189 C190 I212	M1-V214 HydrophobicContact CE-CG1 4.49Å; A3-V214 CarbonylContact C-O 3.24Å; A3-V214 VanDerWaalsContact CA-O 3.26Å; A3-V214 WeakPolarHBondContact CA-O 3.38Å; V4-V214 PolarHBondContact N-O 3.4Å; V4-V214 PolarHBondContact O-N 2.79Å; I159-V214 HydrophobicContact CG2-CG1 3.41Å; I159-V214 VanDerWaalsContact CG2-CG1 3.41Å; A163-V214 HydrophobicContact CB-CG2 3.64Å; Y189-V214 CarbonylContact O-C 3.44Å; Y189-V214 VanDerWaalsContact O-CA 3.32Å; Y189-V214 WeakPolarHBondContact O-CA 3.36Å; C190-V214 HydrophobicContact CB-CG2 4.27Å; I212-V214 HydrophobicContact CB-CG2 4.44Å; I212-V214 HydrophobicContact CD1-CG2 3.87Å; I212-V214 HydrophobicContact CG1-CG2 4.11Å
215	S	94.8	Very high	92.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.6	178.8	-177.1	0	0	0	0	110.8	Y189 D217 L220	Y189-S215 PolarHBondContact N-O 3.23Å; Y189-S215 PolarHBondContact O-N 2.76Å; S215-D217 VanDerWaalsContact C-N 3.28Å; S215-D217 PolarHBondContact OG-N 2.76Å; S215-D217 VanDerWaalsContact OG-N 3.07Å; S215-L220 WeakPolarHBondContact OG-CD2 3.25Å
216	M	91.6	Very high	92.1	Very high	77 Å²	77	42.7 Å²	42.7	38%	0.379	21%	0.207	S	C	.	.	S	Bend	trans	-76.7	-20.8	168.5	-71.9	-64.3	-150.3	0	0	112.2	M1 I159	M1-M216 HydrophobicContact CB-CB 4.37Å; M1-M216 HydrophobicContact CB-CG 3.67Å; I159-M216 HydrophobicContact CD1-CE 3.58Å
217	D	89.9	Confident	91.9	Very high	80 Å²	80	39.9 Å²	39.9	43%	0.428	19%	0.194	S	C	.	.			trans	-90	110.5	176.8	-176.1	0.3	0	0	0	110.5	S215 L219 L220	S215-D217 VanDerWaalsContact C-N 3.28Å; S215-D217 PolarHBondContact OG-N 2.76Å; S215-D217 VanDerWaalsContact OG-N 3.07Å; D217-L219 VanDerWaalsContact C-N 3.32Å; D217-L219 WeakPolarHBondContact OD1-CB 3.39Å; D217-L219 PolarHBondContact OD1-N 2.6Å; D217-L220 HydrophobicContact CB-CB 3.93Å; D217-L220 PolarHBondContact OD1-N 3.08Å
218	R	90.7	Very high	92	Very high	130 Å²	130	38.9 Å²	38.9	49%	0.491	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-40.5	175.1	-170.3	-176.5	171.2	-176.6	-4.2	111.9	F181 Y189 L221 L222	F181-R218 HydrophobicContact CZ-CG 3.97Å; Y189-R218 HydrophobicContact CD1-CB 4.17Å; Y189-R218 HydrophobicContact CD1-CG 3.93Å; Y189-R218 HydrophobicContact CD2-CB 3.71Å; Y189-R218 HydrophobicContact CD2-CG 4.37Å; Y189-R218 HydrophobicContact CE1-CB 4.1Å; Y189-R218 HydrophobicContact CE1-CG 3.91Å; Y189-R218 HydrophobicContact CE2-CB 3.66Å; Y189-R218 HydrophobicContact CE2-CG 4.38Å; Y189-R218 HydrophobicContact CG-CB 3.97Å; Y189-R218 HydrophobicContact CG-CG 4.15Å; R218-L221 PolarHBondContact O-N 3.31Å; R218-L222 HydrophobicContact CG-CD1 3.85Å; R218-L222 HydrophobicContact CG-CG 4.4Å; R218-L222 WeakPolarHBondContact O-CG 3.43Å; R218-L222 PolarHBondContact O-N 3.37Å; R218-L222 VanDerWaalsContact O-N 3.15Å
219	L	86.3	Confident	92	Very high	99 Å²	99	37.7 Å²	37.7	52%	0.518	18%	0.184	S	C	.	.	H	α-helix	trans	-70.5	-35.5	-174.2	-66.3	176	0	0	0	110.9	D217 L221 L222 N223	D217-L219 VanDerWaalsContact C-N 3.32Å; D217-L219 WeakPolarHBondContact OD1-CB 3.39Å; D217-L219 PolarHBondContact OD1-N 2.6Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.11Å; L219-L222 PolarHBondContact O-N 2.77Å; L219-N223 WeakPolarHBondContact O-CB 3.2Å; L219-N223 PolarHBondContact O-N 3Å; L219-N223 PolarHBondContact O-ND2 2.72Å
220	L	87.8	Confident	91.7	Very high	29 Å²	29	39.8 Å²	39.8	15%	0.152	20%	0.199	C	C	.	.	H	α-helix	trans	-51.8	-50.3	172.6	-178	74.3	0	0	0	111.7	A3 S215 D217 N224 Q314	A3-L220 HydrophobicContact CB-CD2 3.96Å; S215-L220 WeakPolarHBondContact OG-CD2 3.25Å; D217-L220 HydrophobicContact CB-CB 3.93Å; D217-L220 PolarHBondContact OD1-N 3.08Å; L220-N224 PolarHBondContact O-ND2 3.49Å; L220-Q314 HydrophobicContact CD1-CG 3.95Å
221	L	91.5	Very high	91.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-41.3	-177.3	-64	179.4	0	0	0	112.2	F181 Y189 L191 V213 R218 L219 N224 Y225 F228	F181-L221 HydrophobicContact CE2-CB 3.83Å; F181-L221 HydrophobicContact CE2-CD1 3.88Å; Y189-L221 WeakPolarHBondContact O-CD1 3.29Å; L191-L221 HydrophobicContact CB-CD1 4.39Å; L191-L221 HydrophobicContact CB-CD2 4.36Å; V213-L221 HydrophobicContact CB-CD2 4.19Å; V213-L221 HydrophobicContact CG1-CD2 3.67Å; R218-L221 PolarHBondContact O-N 3.31Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.11Å; L221-N224 CarbonylContact O-C 3.46Å; L221-Y225 VanDerWaalsContact O-CA 3.3Å; L221-Y225 WeakPolarHBondContact O-CA 3.24Å; L221-Y225 PolarHBondContact O-N 2.95Å; L221-Y225 VanDerWaalsContact O-N 3.07Å; L221-F228 HydrophobicContact CD2-CD2 4.37Å; L221-F228 HydrophobicContact CD2-CE2 3.91Å; L221-F228 HydrophobicContact CD2-CZ 4.29Å
222	L	89.2	Confident	91.4	Very high	31 Å²	31	39.9 Å²	39.9	16%	0.162	20%	0.199	C	C	.	.	H	α-helix	trans	-78.7	-39.2	-175.2	-64.1	179.3	0	0	0	112.9	F181 R218 L219 N224 Y225 F344	F181-L222 HydrophobicContact CD1-CD2 4.05Å; F181-L222 HydrophobicContact CD2-CD2 3.84Å; F181-L222 HydrophobicContact CE1-CD1 4.46Å; F181-L222 HydrophobicContact CE1-CD2 3.97Å; F181-L222 HydrophobicContact CE1-CG 4.42Å; F181-L222 HydrophobicContact CE2-CD2 3.76Å; F181-L222 HydrophobicContact CE2-CG 4.11Å; F181-L222 HydrophobicContact CG-CD2 3.99Å; F181-L222 HydrophobicContact CZ-CD1 4.32Å; F181-L222 HydrophobicContact CZ-CD2 3.83Å; F181-L222 HydrophobicContact CZ-CG 3.99Å; R218-L222 HydrophobicContact CG-CD1 3.85Å; R218-L222 HydrophobicContact CG-CG 4.4Å; R218-L222 WeakPolarHBondContact O-CG 3.43Å; R218-L222 PolarHBondContact O-N 3.37Å; R218-L222 VanDerWaalsContact O-N 3.15Å; L219-L222 PolarHBondContact O-N 2.77Å; L222-N224 PolarHBondContact O-N 3.33Å; L222-Y225 VanDerWaalsContact O-CB 3.28Å; L222-Y225 WeakPolarHBondContact O-CB 3.5Å; L222-Y225 PolarHBondContact O-N 2.99Å; L222-F344 HydrophobicContact CB-CE2 3.72Å; L222-F344 HydrophobicContact CB-CZ 3.4Å; L222-F344 HydrophobicContact CD1-CZ 3.97Å; L222-F344 HydrophobicContact CG-CZ 4.3Å
223	N	83.8	Confident	91.2	Very high	92 Å²	92	41 Å²	41	49%	0.492	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-21.7	177.9	-70.7	-15.2	0	0	0	112.2	L219 F344	L219-N223 WeakPolarHBondContact O-CB 3.2Å; L219-N223 PolarHBondContact O-N 3Å; L219-N223 PolarHBondContact O-ND2 2.72Å; N223-F344 WeakPolarHBondContact OD1-CE2 3.16Å
224	N	87	Confident	91	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.118	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	23.6	179.5	-53.6	-90.1	0	0	0	111.1	L220 L221 L222 D226 F227 F228 Q314	L220-N224 PolarHBondContact O-ND2 3.49Å; L221-N224 CarbonylContact O-C 3.46Å; L222-N224 PolarHBondContact O-N 3.33Å; N224-D226 VanDerWaalsContact C-N 3.34Å; N224-D226 PolarHBondContact O-N 2.81Å; N224-F227 HydrophobicContact CB-CB 4.42Å; N224-F227 HydrophobicContact CB-CD1 4.44Å; N224-F227 WeakPolarHBondContact O-CB 3.46Å; N224-F227 PolarHBondContact O-N 3.41Å; N224-F228 HydrophobicContact CB-CD2 3.92Å; N224-F228 HydrophobicContact CB-CE2 3.76Å; N224-F228 WeakPolarHBondContact O-CD2 3.01Å; N224-F228 PolarHBondContact O-N 3.28Å; N224-Q314 VanDerWaalsContact CG-CD 3.44Å; N224-Q314 PolarHBondContact ND2-NE2 2.94Å; N224-Q314 PolarHBondContact ND2-OE1 3.47Å; N224-Q314 PolarHBondContact OD1-NE2 3.08Å; N224-Q314 PolarHBondContact OD1-OE1 3.32Å
225	Y	90.1	Very high	91	Very high	76 Å²	76	41.8 Å²	41.8	30%	0.298	21%	0.212	S	C	.	.	H	α-helix	trans	-54.4	-50.3	-175.4	178.3	-90	0	0	0	111.4	P179 L191 L221 L222 F227 F228 V229	P179-Y225 WeakPolarHBondContact CG-OH 3.47Å; L191-Y225 HydrophobicContact CD1-CD2 3.81Å; L191-Y225 HydrophobicContact CD1-CE2 3.53Å; L191-Y225 HydrophobicContact CD2-CD2 4Å; L221-Y225 VanDerWaalsContact O-CA 3.3Å; L221-Y225 WeakPolarHBondContact O-CA 3.24Å; L221-Y225 PolarHBondContact O-N 2.95Å; L221-Y225 VanDerWaalsContact O-N 3.07Å; L222-Y225 VanDerWaalsContact O-CB 3.28Å; L222-Y225 WeakPolarHBondContact O-CB 3.5Å; L222-Y225 PolarHBondContact O-N 2.99Å; Y225-F227 PolarHBondContact O-N 3.02Å; Y225-F228 PolarHBondContact O-N 3.13Å; Y225-V229 HydrophobicContact CD1-CG2 4.05Å; Y225-V229 HydrophobicContact CD2-CG2 4.31Å; Y225-V229 HydrophobicContact CE1-CG2 3.7Å; Y225-V229 HydrophobicContact CE2-CG2 3.99Å; Y225-V229 HydrophobicContact CG-CG2 4.34Å; Y225-V229 WeakPolarHBondContact O-CB 3.43Å; Y225-V229 VanDerWaalsContact O-CG2 3.29Å; Y225-V229 WeakPolarHBondContact O-CG2 3.41Å; Y225-V229 PolarHBondContact O-N 2.71Å
226	D	88.1	Confident	91	Very high	102 Å²	102	41.7 Å²	41.7	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-40.4	-178.8	-68.5	-27.7	0	0	0	112.2	N224 S230	N224-D226 VanDerWaalsContact C-N 3.34Å; N224-D226 PolarHBondContact O-N 2.81Å; D226-S230 WeakPolarHBondContact O-CB 3.26Å; D226-S230 PolarHBondContact O-N 3.05Å
227	F	88.8	Confident	91.2	Very high	24 Å²	24	43 Å²	43	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-50.1	175.4	165.3	-103.3	0	0	0	111.3	N224 Y225 S231 W309 I310 A313 Q314	N224-F227 HydrophobicContact CB-CB 4.42Å; N224-F227 HydrophobicContact CB-CD1 4.44Å; N224-F227 WeakPolarHBondContact O-CB 3.46Å; N224-F227 PolarHBondContact O-N 3.41Å; Y225-F227 PolarHBondContact O-N 3.02Å; F227-S231 WeakPolarHBondContact O-CB 3.26Å; F227-S231 PolarHBondContact O-N 2.8Å; F227-S231 PolarHBondContact O-OG 2.9Å; F227-W309 AromaticContact CE2-CH2 3.72Å; F227-W309 HydrophobicContact CE2-CH2 3.72Å; F227-W309 AromaticContact CE2-CZ3 3.77Å; F227-W309 HydrophobicContact CE2-CZ3 3.77Å; F227-W309 HydrophobicContact CZ-CH2 4.27Å; F227-W309 AromaticContact CZ-CZ3 3.9Å; F227-W309 HydrophobicContact CZ-CZ3 3.9Å; F227-I310 HydrophobicContact CE1-CG2 4.24Å; F227-A313 HydrophobicContact CE2-CB 4.16Å; F227-A313 HydrophobicContact CZ-CB 3.76Å; F227-Q314 HydrophobicContact CE1-CB 4.08Å
228	F	93.6	Very high	91.4	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-52.5	178.3	-75.2	-55.8	0	0	0	111	L191 V213 L221 N224 Y225 S230 S231 L232 I310 Q314	L191-F228 HydrophobicContact CD2-CB 3.4Å; L191-F228 VanDerWaalsContact CD2-CB 3.4Å; L191-F228 HydrophobicContact CD2-CD2 3.95Å; L191-F228 HydrophobicContact CD2-CG 4.01Å; L191-F228 HydrophobicContact CG-CB 4.49Å; V213-F228 HydrophobicContact CG1-CD1 4.23Å; V213-F228 HydrophobicContact CG1-CE1 3.82Å; V213-F228 HydrophobicContact CG1-CZ 4.08Å; V213-F228 HydrophobicContact CG2-CD1 4.06Å; V213-F228 HydrophobicContact CG2-CE1 4.4Å; L221-F228 HydrophobicContact CD2-CD2 4.37Å; L221-F228 HydrophobicContact CD2-CE2 3.91Å; L221-F228 HydrophobicContact CD2-CZ 4.29Å; N224-F228 HydrophobicContact CB-CD2 3.92Å; N224-F228 HydrophobicContact CB-CE2 3.76Å; N224-F228 WeakPolarHBondContact O-CD2 3.01Å; N224-F228 PolarHBondContact O-N 3.28Å; Y225-F228 PolarHBondContact O-N 3.13Å; F228-S230 VanDerWaalsContact C-N 3.32Å; F228-S230 PolarHBondContact O-N 3.26Å; F228-S231 PolarHBondContact O-N 2.69Å; F228-S231 VanDerWaalsContact O-N 3.15Å; F228-L232 WeakPolarHBondContact O-CB 3.32Å; F228-L232 WeakPolarHBondContact O-CG 3.43Å; F228-L232 PolarHBondContact O-N 3.1Å; F228-I310 HydrophobicContact CD1-CG2 3.82Å; F228-I310 HydrophobicContact CE1-CG2 3.71Å; F228-Q314 HydrophobicContact CE1-CB 4.38Å; F228-Q314 HydrophobicContact CE1-CG 4.36Å; F228-Q314 VanDerWaalsContact CE2-OE1 3.24Å; F228-Q314 HydrophobicContact CZ-CB 4.23Å; F228-Q314 HydrophobicContact CZ-CG 3.73Å
229	V	93.5	Very high	91.7	Very high	25 Å²	25	33.8 Å²	33.8	15%	0.152	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-45.3	-178.2	172.2	0	0	0	0	111.2	P179 L191 Y193 Y225 S231 L232 C233	P179-V229 HydrophobicContact CB-CG1 4.05Å; P179-V229 HydrophobicContact CB-CG2 3.65Å; P179-V229 HydrophobicContact CG-CG1 3.96Å; P179-V229 HydrophobicContact CG-CG2 4.2Å; L191-V229 HydrophobicContact CD1-CG2 4.22Å; L191-V229 HydrophobicContact CD2-CG2 4.34Å; Y193-V229 HydrophobicContact CD2-CG1 4.42Å; Y193-V229 HydrophobicContact CE2-CG1 4.49Å; Y225-V229 HydrophobicContact CD1-CG2 4.05Å; Y225-V229 HydrophobicContact CD2-CG2 4.31Å; Y225-V229 HydrophobicContact CE1-CG2 3.7Å; Y225-V229 HydrophobicContact CE2-CG2 3.99Å; Y225-V229 HydrophobicContact CG-CG2 4.34Å; Y225-V229 WeakPolarHBondContact O-CB 3.43Å; Y225-V229 VanDerWaalsContact O-CG2 3.29Å; Y225-V229 WeakPolarHBondContact O-CG2 3.41Å; Y225-V229 PolarHBondContact O-N 2.71Å; V229-S231 PolarHBondContact O-N 2.89Å; V229-L232 PolarHBondContact O-N 3.31Å; V229-C233 WeakPolarHBondContact O-CB 3.25Å; V229-C233 PolarHBondContact O-N 2.75Å
230	S	91.4	Very high	92.3	Very high	45 Å²	45	31.2 Å²	31.2	32%	0.315	16%	0.161	S	C	.	.	H	α-helix	trans	-59.1	-49.1	176.4	-171.1	0	0	0	0	111	D226 F228 L232 C233 T234	D226-S230 WeakPolarHBondContact O-CB 3.26Å; D226-S230 PolarHBondContact O-N 3.05Å; F228-S230 VanDerWaalsContact C-N 3.32Å; F228-S230 PolarHBondContact O-N 3.26Å; S230-L232 PolarHBondContact O-N 3.17Å; S230-C233 PolarHBondContact O-N 2.74Å; S230-T234 PolarHBondContact O-N 3.01Å; S230-T234 PolarHBondContact O-OG1 2.87Å
231	S	92.3	Very high	92.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-43.2	-178.4	-55.4	0	0	0	0	112.5	F227 F228 V229 T234 I235	F227-S231 WeakPolarHBondContact O-CB 3.26Å; F227-S231 PolarHBondContact O-N 2.8Å; F227-S231 PolarHBondContact O-OG 2.9Å; F228-S231 PolarHBondContact O-N 2.69Å; F228-S231 VanDerWaalsContact O-N 3.15Å; V229-S231 PolarHBondContact O-N 2.89Å; S231-T234 PolarHBondContact O-N 3.29Å; S231-I235 WeakPolarHBondContact O-CG1 3.48Å; S231-I235 PolarHBondContact O-N 3.27Å; S231-I235 VanDerWaalsContact O-N 3.14Å
232	L	96	Very high	92.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-40.7	178.6	-65.7	-177.4	0	0	0	111.5	Y193 I211 V213 F228 V229 S230 I235 A236 I310	Y193-L232 HydrophobicContact CG-CB 4.23Å; I211-L232 HydrophobicContact CB-CD2 3.93Å; I211-L232 HydrophobicContact CG2-CD2 3.37Å; V213-L232 HydrophobicContact CG2-CD1 4.04Å; V213-L232 HydrophobicContact CG2-CD2 4.06Å; V213-L232 HydrophobicContact CG2-CG 4.43Å; F228-L232 WeakPolarHBondContact O-CB 3.32Å; F228-L232 WeakPolarHBondContact O-CG 3.43Å; F228-L232 PolarHBondContact O-N 3.1Å; V229-L232 PolarHBondContact O-N 3.31Å; S230-L232 PolarHBondContact O-N 3.17Å; L232-I235 PolarHBondContact O-N 3.25Å; L232-A236 WeakPolarHBondContact O-CB 3.37Å; L232-A236 PolarHBondContact O-N 3.39Å; L232-I310 HydrophobicContact CD2-CD1 4.15Å
233	C	95	Very high	93.3	Very high	25 Å²	25	35.3 Å²	35.3	17%	0.169	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-47.8	174.4	-170.6	0	0	0	0	110.9	Y193 V229 S230 I235 A236 E237	Y193-C233 HydrophobicContact CD2-CB 4.31Å; Y193-C233 HydrophobicContact CE1-CB 4.46Å; Y193-C233 HydrophobicContact CE2-CB 3.79Å; Y193-C233 PolarHBondContact OH-SG 3.01Å; V229-C233 WeakPolarHBondContact O-CB 3.25Å; V229-C233 PolarHBondContact O-N 2.75Å; S230-C233 PolarHBondContact O-N 2.74Å; C233-I235 VanDerWaalsContact C-N 3.31Å; C233-I235 PolarHBondContact O-N 3.1Å; C233-A236 WeakPolarHBondContact O-CB 3.3Å; C233-A236 PolarHBondContact O-N 2.91Å; C233-A236 VanDerWaalsContact O-N 3.11Å; C233-E237 WeakPolarHBondContact O-CG 3.44Å; C233-E237 PolarHBondContact O-N 3.13Å; C233-E237 PolarHBondContact SG-OE1 2.89Å; C233-E237 VanDerWaalsContact SG-OE1 3.42Å
234	T	93.8	Very high	93.9	Very high	16 Å²	16	32 Å²	32	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-38.2	178.4	-53.6	0	0	0	0	112.6	S230 S231 Y238 L364 I367	S230-T234 PolarHBondContact O-N 3.01Å; S230-T234 PolarHBondContact O-OG1 2.87Å; S231-T234 PolarHBondContact O-N 3.29Å; T234-Y238 WeakPolarHBondContact O-CB 3.17Å; T234-Y238 PolarHBondContact O-N 3.42Å; T234-L364 HydrophobicContact CG2-CB 3.74Å; T234-L364 HydrophobicContact CG2-CD1 4.07Å; T234-L364 HydrophobicContact CG2-CG 4.08Å; T234-I367 HydrophobicContact CG2-CD1 3.7Å
235	I	95.1	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-39.7	175.3	-62.5	166.7	0	0	0	111	I211 S231 L232 C233 Y238 V239 L303 A306 F307 I310 I367	I211-I235 HydrophobicContact CD1-CB 3.85Å; I211-I235 HydrophobicContact CD1-CG2 3.57Å; S231-I235 WeakPolarHBondContact O-CG1 3.48Å; S231-I235 PolarHBondContact O-N 3.27Å; S231-I235 VanDerWaalsContact O-N 3.14Å; L232-I235 PolarHBondContact O-N 3.25Å; C233-I235 VanDerWaalsContact C-N 3.31Å; C233-I235 PolarHBondContact O-N 3.1Å; I235-Y238 WeakPolarHBondContact O-CB 3.33Å; I235-Y238 PolarHBondContact O-N 3.38Å; I235-V239 WeakPolarHBondContact O-CG2 3.46Å; I235-V239 PolarHBondContact O-N 3.43Å; I235-V239 VanDerWaalsContact O-N 3.12Å; I235-L303 HydrophobicContact CG2-CD2 3.57Å; I235-A306 HydrophobicContact CD1-CB 3.71Å; I235-A306 HydrophobicContact CG1-CB 4.09Å; I235-F307 HydrophobicContact CD1-CD1 4.26Å; I235-F307 HydrophobicContact CD1-CE1 4.21Å; I235-I310 HydrophobicContact CD1-CD1 3.52Å; I235-I367 HydrophobicContact CD1-CG2 4.39Å; I235-I367 HydrophobicContact CG1-CD1 4.4Å; I235-I367 HydrophobicContact CG1-CG2 4.15Å
236	A	96.2	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-48.9	175.8	0	0	0	0	0	111.1	Y193 F195 I211 L232 C233 Y238 V239 Q240	Y193-A236 HydrophobicContact CD1-CB 3.78Å; Y193-A236 HydrophobicContact CE1-CB 3.82Å; F195-A236 HydrophobicContact CB-CB 4.14Å; F195-A236 HydrophobicContact CD1-CB 3.52Å; F195-A236 HydrophobicContact CD2-CB 3.91Å; F195-A236 HydrophobicContact CE1-CB 3.79Å; F195-A236 HydrophobicContact CE2-CB 4.13Å; F195-A236 HydrophobicContact CG-CB 3.59Å; F195-A236 HydrophobicContact CZ-CB 4.08Å; I211-A236 HydrophobicContact CD1-CB 4.49Å; L232-A236 WeakPolarHBondContact O-CB 3.37Å; L232-A236 PolarHBondContact O-N 3.39Å; C233-A236 WeakPolarHBondContact O-CB 3.3Å; C233-A236 PolarHBondContact O-N 2.91Å; C233-A236 VanDerWaalsContact O-N 3.11Å; A236-Y238 VanDerWaalsContact C-N 3.29Å; A236-Y238 PolarHBondContact O-N 3.29Å; A236-V239 PolarHBondContact O-N 3.42Å; A236-V239 VanDerWaalsContact O-N 3.14Å; A236-Q240 WeakPolarHBondContact O-CB 3.39Å; A236-Q240 VanDerWaalsContact O-CG 3.3Å; A236-Q240 WeakPolarHBondContact O-CG 3.42Å; A236-Q240 PolarHBondContact O-N 2.94Å
237	E	95.4	Very high	95.1	Very high	104 Å²	104	30.7 Å²	30.7	49%	0.486	16%	0.162	S	C	.	.	H	α-helix	trans	-59.1	-39.5	176.9	-73.4	172.8	-178.1	0	0	112.1	C233 Q240 A241	C233-E237 WeakPolarHBondContact O-CG 3.44Å; C233-E237 PolarHBondContact O-N 3.13Å; C233-E237 PolarHBondContact SG-OE1 2.89Å; C233-E237 VanDerWaalsContact SG-OE1 3.42Å; E237-Q240 PolarHBondContact O-N 2.9Å; E237-A241 WeakPolarHBondContact O-CB 3.44Å; E237-A241 PolarHBondContact O-N 3.34Å
238	Y	94.9	Very high	95.5	Very high	16 Å²	16	33.1 Å²	33.1	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-51.7	173.1	170	-97.2	0	0	0	112.2	T234 I235 A236 A241 R242 E296 K302 L364 F368	T234-Y238 WeakPolarHBondContact O-CB 3.17Å; T234-Y238 PolarHBondContact O-N 3.42Å; I235-Y238 WeakPolarHBondContact O-CB 3.33Å; I235-Y238 PolarHBondContact O-N 3.38Å; A236-Y238 VanDerWaalsContact C-N 3.29Å; A236-Y238 PolarHBondContact O-N 3.29Å; Y238-A241 PolarHBondContact O-N 2.8Å; Y238-R242 HydrophobicContact CE2-CG 4.33Å; Y238-R242 WeakPolarHBondContact O-CG 3.16Å; Y238-R242 PolarHBondContact O-N 3.46Å; Y238-R242 VanDerWaalsContact O-N 3.14Å; Y238-E296 PolarHBondContact OH-OE1 2.88Å; Y238-E296 PolarHBondContact OH-OE2 3.41Å; Y238-K302 WeakPolarHBondContact OH-CD 3.42Å; Y238-K302 PolarHBondContact OH-NZ 3.08Å; Y238-L364 HydrophobicContact CD2-CD1 4.2Å; Y238-L364 HydrophobicContact CD2-CD2 4.26Å; Y238-F368 HydrophobicContact CD1-CE1 4.45Å; Y238-F368 HydrophobicContact CD1-CE2 4.06Å; Y238-F368 AromaticContact CD1-CZ 3.52Å; Y238-F368 HydrophobicContact CD1-CZ 3.52Å; Y238-F368 HydrophobicContact CD2-CD2 4.47Å; Y238-F368 AromaticContact CD2-CE2 3.57Å; Y238-F368 HydrophobicContact CD2-CE2 3.57Å; Y238-F368 AromaticContact CD2-CZ 3.9Å; Y238-F368 HydrophobicContact CD2-CZ 3.9Å; Y238-F368 HydrophobicContact CE1-CE1 4.39Å; Y238-F368 HydrophobicContact CE1-CE2 4.45Å; Y238-F368 AromaticContact CE1-CZ 3.82Å; Y238-F368 HydrophobicContact CE1-CZ 3.82Å; Y238-F368 AromaticContact CE2-CE2 3.95Å; Y238-F368 HydrophobicContact CE2-CE2 3.95Å; Y238-F368 HydrophobicContact CE2-CZ 4.13Å; Y238-F368 AromaticContact CG-CE2 3.6Å; Y238-F368 HydrophobicContact CG-CE2 3.6Å; Y238-F368 AromaticContact CG-CZ 3.56Å; Y238-F368 HydrophobicContact CG-CZ 3.56Å
239	V	96.6	Very high	95.6	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-44.2	-179.8	174.8	0	0	0	0	110.3	F195 V197 I235 A236 R242 A243 L290 T294 L303	F195-V239 HydrophobicContact CE2-CB 4.18Å; F195-V239 HydrophobicContact CE2-CG1 4.17Å; V197-V239 HydrophobicContact CG2-CG1 3.85Å; I235-V239 WeakPolarHBondContact O-CG2 3.46Å; I235-V239 PolarHBondContact O-N 3.43Å; I235-V239 VanDerWaalsContact O-N 3.12Å; A236-V239 PolarHBondContact O-N 3.42Å; A236-V239 VanDerWaalsContact O-N 3.14Å; V239-R242 PolarHBondContact O-N 3.34Å; V239-A243 WeakPolarHBondContact O-CB 3.36Å; V239-A243 PolarHBondContact O-N 2.96Å; V239-L290 HydrophobicContact CG1-CD1 3.9Å; V239-T294 HydrophobicContact CG1-CG2 4.25Å; V239-L303 HydrophobicContact CG2-CD2 4.38Å
240	Q	97.3	Very high	95.6	Very high	45 Å²	45	38.8 Å²	38.8	21%	0.21	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-44.9	177.9	-74.1	178.3	-39.8	0	0	112.2	E177 F195 N196 A236 E237 R242 A243 A244	E177-Q240 PolarHBondContact OE1-NE2 2.94Å; E177-Q240 PolarHBondContact OE2-NE2 3.43Å; F195-Q240 HydrophobicContact CD2-CG 3.82Å; F195-Q240 HydrophobicContact CE2-CG 4.4Å; N196-Q240 WeakPolarHBondContact O-CG 3.48Å; N196-Q240 PolarHBondContact O-NE2 2.86Å; A236-Q240 WeakPolarHBondContact O-CB 3.39Å; A236-Q240 VanDerWaalsContact O-CG 3.3Å; A236-Q240 WeakPolarHBondContact O-CG 3.42Å; A236-Q240 PolarHBondContact O-N 2.94Å; E237-Q240 PolarHBondContact O-N 2.9Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.29Å; Q240-A243 PolarHBondContact O-N 3.44Å; Q240-A244 VanDerWaalsContact O-CB 3.26Å; Q240-A244 WeakPolarHBondContact O-CB 3.3Å; Q240-A244 PolarHBondContact O-N 2.81Å
241	A	96.3	Very high	95.5	Very high	55 Å²	55	40.2 Å²	40.2	46%	0.455	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-37	179.8	0	0	0	0	0	112	E237 Y238 K245	E237-A241 WeakPolarHBondContact O-CB 3.44Å; E237-A241 PolarHBondContact O-N 3.34Å; Y238-A241 PolarHBondContact O-N 2.8Å; A241-K245 WeakPolarHBondContact O-CG 3.39Å; A241-K245 PolarHBondContact O-N 2.96Å
242	R	97.1	Very high	95.5	Very high	90 Å²	90	42.6 Å²	42.6	34%	0.34	22%	0.222	S	C	.	.	H	α-helix	trans	-68.7	-46	174.4	-69.5	-66.1	-178.5	151.2	2.6	112	Y238 V239 Q240 A244 K245 V246 T294 E296	Y238-R242 HydrophobicContact CE2-CG 4.33Å; Y238-R242 WeakPolarHBondContact O-CG 3.16Å; Y238-R242 PolarHBondContact O-N 3.46Å; Y238-R242 VanDerWaalsContact O-N 3.14Å; V239-R242 PolarHBondContact O-N 3.34Å; Q240-R242 VanDerWaalsContact C-N 3.32Å; Q240-R242 PolarHBondContact O-N 3.29Å; R242-A244 VanDerWaalsContact C-N 3.33Å; R242-A244 PolarHBondContact O-N 2.98Å; R242-K245 PolarHBondContact O-N 3.49Å; R242-V246 PolarHBondContact O-N 2.84Å; R242-T294 HydrophobicContact CB-CG2 4.03Å; R242-E296 IonicContact CZ-OE1 2.66Å; R242-E296 IonicContact NE-OE1 2.68Å; R242-E296 PolarHBondContact NE-OE1 3.28Å; R242-E296 VanDerWaalsContact NE-OE1 3.11Å; R242-E296 IonicContact NH1-OE1 3.23Å; R242-E296 PolarHBondContact NH1-OE1 3.3Å; R242-E296 IonicContact NH2-OE1 3.77Å; R242-E296 PolarHBondContact NH2-OE1 2.95Å
243	A	97.1	Very high	95.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-66.6	-34.2	178	0	0	0	0	0	113.3	V197 V239 Q240 K245 V246 F247 L293	V197-A243 HydrophobicContact CG1-CB 3.39Å; V239-A243 WeakPolarHBondContact O-CB 3.36Å; V239-A243 PolarHBondContact O-N 2.96Å; Q240-A243 PolarHBondContact O-N 3.44Å; A243-K245 VanDerWaalsContact C-N 3.31Å; A243-K245 PolarHBondContact O-N 3.43Å; A243-V246 PolarHBondContact O-N 2.82Å; A243-F247 VanDerWaalsContact O-CB 3.28Å; A243-F247 WeakPolarHBondContact O-CB 3.28Å; A243-F247 PolarHBondContact O-N 3.29Å; A243-L293 VanDerWaalsContact CA-O 3.3Å; A243-L293 WeakPolarHBondContact CA-O 3.42Å
244	A	97.2	Very high	94.8	Very high	22 Å²	22	52.3 Å²	52.3	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-39.7	175.1	0	0	0	0	0	112	K198 Q240 R242 F247 D248	K198-A244 HydrophobicContact CD-CB 4.43Å; Q240-A244 VanDerWaalsContact O-CB 3.26Å; Q240-A244 WeakPolarHBondContact O-CB 3.3Å; Q240-A244 PolarHBondContact O-N 2.81Å; R242-A244 VanDerWaalsContact C-N 3.33Å; R242-A244 PolarHBondContact O-N 2.98Å; A244-F247 WeakPolarHBondContact O-CB 3.26Å; A244-F247 PolarHBondContact O-N 3.44Å; A244-D248 WeakPolarHBondContact O-CB 3.29Å; A244-D248 PolarHBondContact O-N 2.93Å
245	K	97.3	Very high	94.4	Very high	128 Å²	128	56.3 Å²	56.3	56%	0.557	28%	0.277	S	S	*	.	H	α-helix	trans	-62	-50.1	176.4	-69.7	176.5	-178.7	-176.3	0	111.9	A241 R242 A243 F247 D248 D249	A241-K245 WeakPolarHBondContact O-CG 3.39Å; A241-K245 PolarHBondContact O-N 2.96Å; R242-K245 PolarHBondContact O-N 3.49Å; A243-K245 VanDerWaalsContact C-N 3.31Å; A243-K245 PolarHBondContact O-N 3.43Å; K245-F247 VanDerWaalsContact C-N 3.28Å; K245-F247 PolarHBondContact O-N 3.21Å; K245-D248 PolarHBondContact O-N 2.75Å; K245-D249 WeakPolarHBondContact O-CB 3.39Å; K245-D249 VanDerWaalsContact O-CG 3.31Å; K245-D249 PolarHBondContact O-N 2.8Å
246	V	96.7	Very high	94	Very high	28 Å²	28	59.9 Å²	59.9	17%	0.17	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-42.3	177.2	177.5	0	0	0	0	110.6	R242 A243 E250 L293	R242-V246 PolarHBondContact O-N 2.84Å; A243-V246 PolarHBondContact O-N 2.82Å; V246-E250 HydrophobicContact CG1-CG 4.48Å; V246-E250 WeakPolarHBondContact O-CB 3.47Å; V246-E250 VanDerWaalsContact O-CG 3.25Å; V246-E250 WeakPolarHBondContact O-CG 3.38Å; V246-E250 PolarHBondContact O-N 2.89Å; V246-L293 WeakPolarHBondContact CB-O 3.17Å; V246-L293 WeakPolarHBondContact CG2-O 3.42Å
247	F	96.1	Very high	93.4	Very high	17 Å²	17	66.7 Å²	66.7	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-46.9	177.1	-178.2	-84.9	0	0	0	113	K198 F200 F205 A243 A244 K245 E250 Q251	K198-F247 HydrophobicContact CB-CB 3.99Å; K198-F247 HydrophobicContact CB-CD2 3.74Å; K198-F247 HydrophobicContact CB-CE2 4.4Å; K198-F247 HydrophobicContact CB-CG 3.88Å; K198-F247 HydrophobicContact CD-CB 4.39Å; K198-F247 HydrophobicContact CD-CD1 4.06Å; K198-F247 HydrophobicContact CD-CE1 4.5Å; K198-F247 HydrophobicContact CD-CG 4.07Å; F200-F247 HydrophobicContact CB-CD2 3.95Å; F200-F247 HydrophobicContact CB-CE2 3.99Å; F200-F247 HydrophobicContact CD2-CE2 4.04Å; F200-F247 HydrophobicContact CD2-CZ 4.13Å; F205-F247 HydrophobicContact CB-CE2 3.93Å; F205-F247 HydrophobicContact CB-CZ 4.22Å; F205-F247 HydrophobicContact CD1-CE2 4.3Å; F205-F247 HydrophobicContact CG-CE2 4.46Å; A243-F247 VanDerWaalsContact O-CB 3.28Å; A243-F247 WeakPolarHBondContact O-CB 3.28Å; A243-F247 PolarHBondContact O-N 3.29Å; A244-F247 WeakPolarHBondContact O-CB 3.26Å; A244-F247 PolarHBondContact O-N 3.44Å; K245-F247 VanDerWaalsContact C-N 3.28Å; K245-F247 PolarHBondContact O-N 3.21Å; F247-E250 PolarHBondContact O-N 3.12Å; F247-Q251 HydrophobicContact CE1-CB 4.44Å; F247-Q251 VanDerWaalsContact O-CB 3.3Å; F247-Q251 WeakPolarHBondContact O-CB 3.32Å; F247-Q251 PolarHBondContact O-N 2.99Å
248	D	96.2	Very high	92.5	Very high	76 Å²	76	64.3 Å²	64.3	41%	0.406	31%	0.311	S	S	.	.	H	α-helix	trans	-67.9	-37.6	-178	-66.6	-20.3	0	0	0	110.9	A244 K245 Q251 S252	A244-D248 WeakPolarHBondContact O-CB 3.29Å; A244-D248 PolarHBondContact O-N 2.93Å; K245-D248 PolarHBondContact O-N 2.75Å; D248-Q251 PolarHBondContact O-N 3.26Å; D248-S252 WeakPolarHBondContact O-CB 3.43Å; D248-S252 PolarHBondContact O-N 2.98Å; D248-S252 PolarHBondContact O-OG 2.84Å; D248-S252 VanDerWaalsContact O-OG 3.13Å
249	D	95.2	Very high	91.9	Very high	103 Å²	103	69.5 Å²	69.5	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-43.1	172.6	-71.8	-16.9	0	0	0	111.7	K245 S252 R253	K245-D249 WeakPolarHBondContact O-CB 3.39Å; K245-D249 VanDerWaalsContact O-CG 3.31Å; K245-D249 PolarHBondContact O-N 2.8Å; D249-S252 PolarHBondContact O-OG 2.87Å; D249-R253 WeakPolarHBondContact O-CD 3.47Å; D249-R253 WeakPolarHBondContact O-CG 3.26Å; D249-R253 PolarHBondContact O-N 2.96Å
250	E	93.5	Very high	91.1	Very high	42 Å²	42	75.6 Å²	75.6	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-41.9	175.6	-73.9	177.6	165.4	0	0	112.2	F200 V246 F247 R253 D254 R288	F200-E250 HydrophobicContact CB-CB 4.11Å; F200-E250 WeakPolarHBondContact CB-OE2 3.36Å; F200-E250 HydrophobicContact CD1-CB 4.48Å; F200-E250 HydrophobicContact CG-CB 4.25Å; V246-E250 HydrophobicContact CG1-CG 4.48Å; V246-E250 WeakPolarHBondContact O-CB 3.47Å; V246-E250 VanDerWaalsContact O-CG 3.25Å; V246-E250 WeakPolarHBondContact O-CG 3.38Å; V246-E250 PolarHBondContact O-N 2.89Å; F247-E250 PolarHBondContact O-N 3.12Å; E250-R253 PolarHBondContact O-N 3.46Å; E250-D254 PolarHBondContact O-N 2.97Å; E250-R288 VanDerWaalsContact CD-NH1 3.33Å; E250-R288 IonicContact OE1-CZ 3.62Å; E250-R288 IonicContact OE1-NH1 3.4Å; E250-R288 PolarHBondContact OE1-NH1 2.97Å; E250-R288 IonicContact OE1-NH2 3.87Å; E250-R288 IonicContact OE2-CZ 3.33Å; E250-R288 IonicContact OE2-NH1 2.9Å; E250-R288 PolarHBondContact OE2-NH1 3.25Å; E250-R288 IonicContact OE2-NH2 2.89Å; E250-R288 PolarHBondContact OE2-NH2 2.98Å
251	Q	90.4	Very high	90	Very high	74 Å²	74	77.9 Å²	77.9	35%	0.346	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-43.3	179.1	179.7	176.2	84.8	0	0	111.8	F200 F247 D248 D254 Q255	F200-Q251 HydrophobicContact CD2-CB 4.15Å; F200-Q251 HydrophobicContact CE2-CB 3.99Å; F200-Q251 HydrophobicContact CE2-CG 4.21Å; F247-Q251 HydrophobicContact CE1-CB 4.44Å; F247-Q251 VanDerWaalsContact O-CB 3.3Å; F247-Q251 WeakPolarHBondContact O-CB 3.32Å; F247-Q251 PolarHBondContact O-N 2.99Å; D248-Q251 PolarHBondContact O-N 3.26Å; Q251-D254 PolarHBondContact O-N 3.48Å; Q251-Q255 WeakPolarHBondContact O-CG 3.24Å; Q251-Q255 PolarHBondContact O-N 3.16Å
252	S	92.1	Very high	88.7	Confident	50 Å²	50	77.8 Å²	77.8	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-42.8	177.9	60.7	0	0	0	0	111.7	D248 D249 D254 Q255 D256	D248-S252 WeakPolarHBondContact O-CB 3.43Å; D248-S252 PolarHBondContact O-N 2.98Å; D248-S252 PolarHBondContact O-OG 2.84Å; D248-S252 VanDerWaalsContact O-OG 3.13Å; D249-S252 PolarHBondContact O-OG 2.87Å; S252-D254 VanDerWaalsContact C-N 3.35Å; S252-D254 PolarHBondContact O-N 3.46Å; S252-Q255 PolarHBondContact O-N 3.24Å; S252-D256 PolarHBondContact O-N 2.9Å
253	R	90.7	Very high	87.7	Confident	183 Å²	183	78.2 Å²	78.2	69%	0.691	39%	0.391	S	S	*	.	H	α-helix	trans	-59.9	-41.7	174.9	-71.4	169.1	66.1	-163	0.3	112.6	D249 E250 R257	D249-R253 WeakPolarHBondContact O-CD 3.47Å; D249-R253 WeakPolarHBondContact O-CG 3.26Å; D249-R253 PolarHBondContact O-N 2.96Å; E250-R253 PolarHBondContact O-N 3.46Å; R253-R257 WeakPolarHBondContact O-CB 3.25Å; R253-R257 PolarHBondContact O-N 2.86Å
254	D	85.5	Confident	86.3	Confident	48 Å²	48	84.5 Å²	84.5	26%	0.257	42%	0.422	S	S	.	.	H	α-helix	trans	-68.3	-40.5	176.4	-168.9	61.6	0	0	0	111.9	F200 E250 Q251 S252 R257 M258 R279	F200-D254 HydrophobicContact CE1-CB 3.99Å; F200-D254 HydrophobicContact CZ-CB 3.67Å; F200-D254 WeakPolarHBondContact CZ-OD2 3.34Å; E250-D254 PolarHBondContact O-N 2.97Å; Q251-D254 PolarHBondContact O-N 3.48Å; S252-D254 VanDerWaalsContact C-N 3.35Å; S252-D254 PolarHBondContact O-N 3.46Å; D254-R257 PolarHBondContact O-N 3.06Å; D254-M258 WeakPolarHBondContact O-CB 3.06Å; D254-M258 PolarHBondContact O-N 2.84Å; D254-R279 IonicContact OD2-CZ 2.76Å; D254-R279 IonicContact OD2-NH1 3.9Å; D254-R279 IonicContact OD2-NH2 3.02Å
255	Q	85.8	Confident	84.5	Confident	99 Å²	99	89.3 Å²	89.3	46%	0.463	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.4	-75.4	-178.8	12	0	0	112.3	Q251 S252 M258 K259	Q251-Q255 WeakPolarHBondContact O-CG 3.24Å; Q251-Q255 PolarHBondContact O-N 3.16Å; S252-Q255 PolarHBondContact O-N 3.24Å; Q255-M258 WeakPolarHBondContact O-CB 3.41Å; Q255-M258 PolarHBondContact O-N 3.41Å; Q255-K259 WeakPolarHBondContact O-CG 3.26Å; Q255-K259 PolarHBondContact O-N 3.07Å
256	D	87.1	Confident	82.6	Confident	75 Å²	75	92 Å²	92	40%	0.401	46%	0.457	S	S	.	.	H	α-helix	trans	-70.1	-38.1	178.7	-71.8	-20.2	0	0	0	111.7	S252 M258 K259 Q260	S252-D256 PolarHBondContact O-N 2.9Å; D256-M258 VanDerWaalsContact C-N 3.28Å; D256-M258 PolarHBondContact O-N 3.04Å; D256-K259 PolarHBondContact O-N 3.1Å; D256-K259 IonicContact OD1-NZ 3.89Å; D256-K259 PolarHBondContact OD1-NZ 2.93Å; D256-Q260 VanDerWaalsContact O-CG 3.32Å; D256-Q260 WeakPolarHBondContact O-CG 3.39Å; D256-Q260 PolarHBondContact O-N 2.85Å
257	R	82	Confident	80.7	Confident	143 Å²	143	94.9 Å²	94.9	54%	0.54	48%	0.478	S	S	.	.	H	α-helix	trans	-58.3	-42	169.2	-171.9	177.9	-177.4	-179.1	-1.2	111.2	R253 D254 Q260 L261	R253-R257 WeakPolarHBondContact O-CB 3.25Å; R253-R257 PolarHBondContact O-N 2.86Å; D254-R257 PolarHBondContact O-N 3.06Å; R257-Q260 PolarHBondContact O-N 2.84Å; R257-L261 HydrophobicContact CG-CD1 4.19Å; R257-L261 WeakPolarHBondContact O-CB 3.44Å; R257-L261 VanDerWaalsContact O-CG 3.3Å; R257-L261 WeakPolarHBondContact O-CG 3.27Å; R257-L261 PolarHBondContact O-N 3.07Å
258	M	77	Confident	78.7	Confident	54 Å²	54	99.7 Å²	99.7	27%	0.266	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-39.5	177.7	-173.1	58.1	172.2	0	0	112.5	D254 Q255 D256 L261 A262 W269 F275	D254-M258 WeakPolarHBondContact O-CB 3.06Å; D254-M258 PolarHBondContact O-N 2.84Å; Q255-M258 WeakPolarHBondContact O-CB 3.41Å; Q255-M258 PolarHBondContact O-N 3.41Å; D256-M258 VanDerWaalsContact C-N 3.28Å; D256-M258 PolarHBondContact O-N 3.04Å; M258-L261 PolarHBondContact O-N 2.78Å; M258-A262 VanDerWaalsContact O-CB 3.27Å; M258-A262 WeakPolarHBondContact O-CB 3.23Å; M258-A262 PolarHBondContact O-N 2.77Å; M258-W269 HydrophobicContact CE-CZ2 4.37Å; M258-F275 HydrophobicContact CE-CE1 4.26Å; M258-F275 HydrophobicContact CE-CE2 3.88Å; M258-F275 HydrophobicContact CE-CZ 3.59Å; M258-F275 HydrophobicContact SD-CD2 4.49Å; M258-F275 HydrophobicContact SD-CE2 3.38Å; M258-F275 WeakPolarHBondContact SD-CE2 3.01Å; M258-F275 HydrophobicContact SD-CZ 3.45Å; M258-F275 WeakPolarHBondContact SD-CZ 3.12Å
259	K	82.4	Confident	76.5	Confident	125 Å²	125	104.2 Å²	104.2	54%	0.543	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-41.6	174.3	-69.7	169.7	-163.2	154.9	0	112	Q255 D256 A262 S263	Q255-K259 WeakPolarHBondContact O-CG 3.26Å; Q255-K259 PolarHBondContact O-N 3.07Å; D256-K259 PolarHBondContact O-N 3.1Å; D256-K259 IonicContact OD1-NZ 3.89Å; D256-K259 PolarHBondContact OD1-NZ 2.93Å; K259-A262 PolarHBondContact O-N 2.78Å; K259-S263 PolarHBondContact O-N 3Å
260	Q	80.2	Confident	74.4	Confident	130 Å²	130	106.5 Å²	106.5	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-63.8	-43.1	175.7	-71.8	174.4	11.6	0	0	111.6	D256 R257 A262 S263 M264	D256-Q260 VanDerWaalsContact O-CG 3.32Å; D256-Q260 WeakPolarHBondContact O-CG 3.39Å; D256-Q260 PolarHBondContact O-N 2.85Å; R257-Q260 PolarHBondContact O-N 2.84Å; Q260-A262 VanDerWaalsContact C-N 3.34Å; Q260-S263 PolarHBondContact O-N 2.71Å; Q260-S263 PolarHBondContact O-OG 3.19Å; Q260-M264 WeakPolarHBondContact O-CG 3.49Å; Q260-M264 PolarHBondContact O-N 3.29Å
261	L	73.8	Confident	72.5	Confident	92 Å²	92	111.5 Å²	111.5	48%	0.482	55%	0.55	S	S	.	*	H	α-helix	trans	-66.3	-36.1	174.9	-71.4	168.7	0	0	0	112.1	R257 M258 M264	R257-L261 HydrophobicContact CG-CD1 4.19Å; R257-L261 WeakPolarHBondContact O-CB 3.44Å; R257-L261 VanDerWaalsContact O-CG 3.3Å; R257-L261 WeakPolarHBondContact O-CG 3.27Å; R257-L261 PolarHBondContact O-N 3.07Å; M258-L261 PolarHBondContact O-N 2.78Å; L261-M264 PolarHBondContact O-N 2.82Å; L261-M264 VanDerWaalsContact O-O 3.11Å
262	A	69.9	Low	70.6	Confident	54 Å²	54	111 Å²	111	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-71.1	-29.1	177.2	0	0	0	0	0	113.5	M258 K259 Q260 M264	M258-A262 VanDerWaalsContact O-CB 3.27Å; M258-A262 WeakPolarHBondContact O-CB 3.23Å; M258-A262 PolarHBondContact O-N 2.77Å; K259-A262 PolarHBondContact O-N 2.78Å; Q260-A262 VanDerWaalsContact C-N 3.34Å; A262-M264 VanDerWaalsContact C-N 3.34Å
263	S	75.6	Confident	68.6	Low	98 Å²	98	113.5 Å²	113.5	69%	0.685	58%	0.576	S	S	*	*	H	α-helix	trans	-74.8	-26	174.1	72.2	0	0	0	0	112.4	K259 Q260 N265	K259-S263 PolarHBondContact O-N 3Å; Q260-S263 PolarHBondContact O-N 2.71Å; Q260-S263 PolarHBondContact O-OG 3.19Å; S263-N265 PolarHBondContact O-N 3.14Å
264	M	67.1	Low	66.4	Low	133 Å²	133	106.7 Å²	106.7	66%	0.655	56%	0.563	S	S	*	*	S	Bend	trans	-81.8	97.1	172.6	-66.4	-178.6	72.6	0	0	111	Q260 L261 A262	Q260-M264 WeakPolarHBondContact O-CG 3.49Å; Q260-M264 PolarHBondContact O-N 3.29Å; L261-M264 PolarHBondContact O-N 2.82Å; L261-M264 VanDerWaalsContact O-O 3.11Å; A262-M264 VanDerWaalsContact C-N 3.34Å
265	N	60.2	Low	64.7	Low	123 Å²	123	109.1 Å²	109.1	66%	0.658	57%	0.571	S	S	*	*			trans	47	105.5	163.7	-132.7	5.1	0	0	0	117.3	S263 S267 L268	S263-N265 PolarHBondContact O-N 3.14Å; N265-S267 PolarHBondContact O-N 3.43Å; N265-L268 PolarHBondContact O-N 3.33Å
266	K	57	Low	62.9	Low	186 Å²	186	110 Å²	110	81%	0.809	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-49.6	-23.9	-179.4	-87.8	179	175.2	176.4	0	116	L268 W269	K266-L268 VanDerWaalsContact C-N 3.3Å; K266-L268 PolarHBondContact O-N 3.35Å; K266-W269 WeakPolarHBondContact O-CB 3.39Å; K266-W269 PolarHBondContact O-N 2.87Å
267	S	57.5	Low	61	Low	87 Å²	87	116 Å²	116	61%	0.608	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-71.3	-20.3	-176.4	68.2	0	0	0	0	114.2	N265	N265-S267 PolarHBondContact O-N 3.43Å
268	L	52.9	Low	59.3	Low	119 Å²	119	113.7 Å²	113.7	62%	0.623	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-83.7	-13.8	176.4	-82	153.9	0	0	0	113.1	N265 K266	N265-L268 PolarHBondContact O-N 3.33Å; K266-L268 VanDerWaalsContact C-N 3.3Å; K266-L268 PolarHBondContact O-N 3.35Å
269	W	49.8	Very low	57.9	Low	170 Å²	170	116.9 Å²	116.9	64%	0.644	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-26.5	-176.7	-153.8	82.4	0	0	0	113.4	M258 K266 Q271	M258-W269 HydrophobicContact CE-CZ2 4.37Å; K266-W269 WeakPolarHBondContact O-CB 3.39Å; K266-W269 PolarHBondContact O-N 2.87Å; W269-Q271 VanDerWaalsContact C-N 3.29Å; W269-Q271 PolarHBondContact O-N 3.37Å
270	L	52.9	Low	56.1	Low	151 Å²	151	119.7 Å²	119.7	79%	0.791	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-7.3	-179.6	-78	158.9	0	0	0	113.9	A272	L270-A272 PolarHBondContact O-N 3.11Å
271	Q	53.3	Low	54.4	Low	147 Å²	147	119.7 Å²	119.7	69%	0.687	61%	0.607	S	S	*	*			trans	-84.1	61.3	166.2	-77	-172.3	-40.4	0	0	110.8	W269 S273 G274	W269-Q271 VanDerWaalsContact C-N 3.29Å; W269-Q271 PolarHBondContact O-N 3.37Å; Q271-S273 PolarHBondContact O-N 3.14Å; Q271-G274 PolarHBondContact O-N 2.89Å
272	A	50.2	Low	53.3	Low	63 Å²	63	117.5 Å²	117.5	52%	0.521	60%	0.6	S	S	.	*	H	α-helix	trans	-57.7	-6.9	178.6	0	0	0	0	0	114.8	L270	L270-A272 PolarHBondContact O-N 3.11Å
273	S	49.3	Very low	52.5	Low	103 Å²	103	120.1 Å²	120.1	72%	0.72	61%	0.607	S	S	*	*	H	α-helix	trans	-80.6	-26.7	-178.8	-54	0	0	0	0	114.3	Q271	Q271-S273 PolarHBondContact O-N 3.14Å
274	G	45.2	Very low	51.5	Low	41 Å²	41	120.1 Å²	120.1	42%	0.423	60%	0.604	S	S	.	*	H	α-helix	trans	-77.4	-33.7	175.1	0	0	0	0	0	112.7	Q271 R277 E278	Q271-G274 PolarHBondContact O-N 2.89Å; G274-R277 WeakPolarHBondContact O-CB 3.21Å; G274-R277 PolarHBondContact O-N 3.12Å; G274-E278 PolarHBondContact O-N 3.35Å; G274-E278 VanDerWaalsContact O-N 3.07Å
275	F	49.4	Very low	51.4	Low	98 Å²	98	117.4 Å²	117.4	43%	0.43	60%	0.598	S	S	.	*	H	α-helix	trans	-68.8	-38.5	-174.2	-164.5	-104.6	0	0	0	113.6	M258 R277	M258-F275 HydrophobicContact CE-CE1 4.26Å; M258-F275 HydrophobicContact CE-CE2 3.88Å; M258-F275 HydrophobicContact CE-CZ 3.59Å; M258-F275 HydrophobicContact SD-CD2 4.49Å; M258-F275 HydrophobicContact SD-CE2 3.38Å; M258-F275 WeakPolarHBondContact SD-CE2 3.01Å; M258-F275 HydrophobicContact SD-CZ 3.45Å; M258-F275 WeakPolarHBondContact SD-CZ 3.12Å; F275-R277 PolarHBondContact O-N 3.37Å
276	L	49	Very low	52.2	Low	117 Å²	117	116.1 Å²	116.1	61%	0.613	59%	0.591	S	S	*	*	H	α-helix	trans	-71.1	-16.1	172.6	-73.2	171.7	0	0	0	113.2	R280	L276-R280 WeakPolarHBondContact O-CG 3.42Å
277	R	46.2	Very low	53.6	Low	201 Å²	201	108.2 Å²	108.2	76%	0.758	56%	0.559	S	S	*	*	H	α-helix	trans	-92.9	-37.4	-175.8	-138.4	177.6	178.8	-170	-1.4	111.8	G274 F275 R280	G274-R277 WeakPolarHBondContact O-CB 3.21Å; G274-R277 PolarHBondContact O-N 3.12Å; F275-R277 PolarHBondContact O-N 3.37Å; R277-R280 PolarHBondContact O-N 2.91Å
278	E	46.9	Very low	55.1	Low	96 Å²	96	105.7 Å²	105.7	45%	0.449	54%	0.536	S	S	.	.	H	α-helix	trans	-71.6	-38.2	177.3	-147.5	98.3	-160	0	0	112.3	G274 R280 Q281	G274-E278 PolarHBondContact O-N 3.35Å; G274-E278 VanDerWaalsContact O-N 3.07Å; E278-R280 PolarHBondContact O-N 3.02Å; E278-R280 VanDerWaalsContact O-N 3.13Å; E278-Q281 VanDerWaalsContact O-CB 3.27Å; E278-Q281 WeakPolarHBondContact O-CB 3.46Å; E278-Q281 PolarHBondContact O-N 3.06Å; E278-Q281 PolarHBondContact OE1-NE2 2.78Å
279	R	47.3	Very low	57	Low	120 Å²	120	100.4 Å²	100.4	45%	0.453	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.8	175.9	-154.7	-179.8	-168.2	128.9	7.6	112.8	D254	D254-R279 IonicContact OD2-CZ 2.76Å; D254-R279 IonicContact OD2-NH1 3.9Å; D254-R279 IonicContact OD2-NH2 3.02Å
280	R	45.6	Very low	59.2	Low	184 Å²	184	92.3 Å²	92.3	69%	0.694	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	9.6	172.3	-65.6	-173.6	-157.8	-146.5	3.8	113.6	L276 R277 E278 S282	L276-R280 WeakPolarHBondContact O-CG 3.42Å; R277-R280 PolarHBondContact O-N 2.91Å; E278-R280 PolarHBondContact O-N 3.02Å; E278-R280 VanDerWaalsContact O-N 3.13Å; R280-S282 CarbonylContact O-C 3.43Å; R280-S282 PolarHBondContact O-N 3.11Å; R280-S282 VanDerWaalsContact O-O 3.04Å
281	Q	44.1	Very low	61.1	Low	130 Å²	130	88.5 Å²	88.5	61%	0.607	46%	0.458	S	S	*	.			trans	-72.4	0.5	173.3	-76.5	178.3	8	0	0	113.5	E278 N283	E278-Q281 VanDerWaalsContact O-CB 3.27Å; E278-Q281 WeakPolarHBondContact O-CB 3.46Å; E278-Q281 PolarHBondContact O-N 3.06Å; E278-Q281 PolarHBondContact OE1-NE2 2.78Å; Q281-N283 PolarHBondContact O-N 3.04Å
282	S	49.6	Very low	63	Low	46 Å²	46	85.1 Å²	85.1	32%	0.322	44%	0.442	S	S	.	.	S	Bend	trans	-66	95.5	147.1	53.8	0	0	0	0	106.5	T201 R280 P284	T201-S282 PolarHBondContact O-OG 3.19Å; R280-S282 CarbonylContact O-C 3.43Å; R280-S282 PolarHBondContact O-N 3.11Å; R280-S282 VanDerWaalsContact O-O 3.04Å; S282-P284 WeakPolarHBondContact O-CD 3.18Å
283	N	53.6	Low	65.2	Low	110 Å²	110	82.2 Å²	82.2	59%	0.588	42%	0.418	S	S	*	.			trans	-51.6	115.2	171.3	-131.1	-1.5	0	0	0	105.9	Q281 S285 N286	Q281-N283 PolarHBondContact O-N 3.04Å; N283-S285 WeakPolarHBondContact CB-OG 3.44Å; N283-S285 PolarHBondContact ND2-OG 3.46Å; N283-S285 PolarHBondContact O-N 2.97Å; N283-N286 PolarHBondContact O-N 3.49Å
284	P	55.2	Low	67.4	Low	98 Å²	98	77.6 Å²	77.6	64%	0.636	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.4	178.7	20.8	-30.3	0	0	0	111.9	S282 N286	S282-P284 WeakPolarHBondContact O-CD 3.18Å; P284-N286 VanDerWaalsContact C-N 3.31Å; P284-N286 PolarHBondContact O-N 2.84Å
285	S	64.8	Low	69.7	Low	75 Å²	75	78.4 Å²	78.4	52%	0.524	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.8	171.1	66.3	0	0	0	0	115.4	N283	N283-S285 WeakPolarHBondContact CB-OG 3.44Å; N283-S285 PolarHBondContact ND2-OG 3.46Å; N283-S285 PolarHBondContact O-N 2.97Å
286	N	77.3	Confident	71.7	Confident	96 Å²	96	74.2 Å²	74.2	51%	0.513	38%	0.376	S	S	.	.	S	Bend	trans	-134.7	76.3	-179.6	-163.6	30.7	0	0	0	112.7	N283 P284	N283-N286 PolarHBondContact O-N 3.49Å; P284-N286 VanDerWaalsContact C-N 3.31Å; P284-N286 PolarHBondContact O-N 2.84Å
287	P	85.1	Confident	73.6	Confident	21 Å²	21	77.9 Å²	77.9	14%	0.136	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-64.4	145	176.1	29.4	-37.7	0	0	0	111.1	I13 C121 A123	I13-P287 HydrophobicContact CD1-CG 3.89Å; I13-P287 HydrophobicContact CG1-CG 4.48Å; C121-P287 HydrophobicContact CB-CG 3.66Å; C121-P287 WeakPolarHBondContact SG-CG 3.47Å; A123-P287 HydrophobicContact CB-CB 3.64Å; A123-P287 HydrophobicContact CB-CG 3.68Å; A123-P287 WeakPolarHBondContact CB-O 3.38Å; A123-P287 PolarHBondContact N-O 3.35Å
288	R	90.3	Very high	75.7	Confident	34 Å²	34	70.7 Å²	70.7	13%	0.128	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-74.2	142	-173.5	-60.9	-157.3	-73.2	-177.3	-3.7	112.9	A123 D199 T201 E250 E292 L293	A123-R288 WeakPolarHBondContact CA-O 3.42Å; A123-R288 WeakPolarHBondContact CB-O 3.29Å; D199-R288 IonicContact OD1-CZ 2.78Å; D199-R288 VanDerWaalsContact OD1-CZ 3.28Å; D199-R288 IonicContact OD1-NE 2.77Å; D199-R288 PolarHBondContact OD1-NE 3.46Å; D199-R288 IonicContact OD1-NH2 3.38Å; D199-R288 PolarHBondContact OD1-NH2 3.19Å; D199-R288 IonicContact OD2-NE 3.04Å; D199-R288 PolarHBondContact OD2-NE 2.93Å; D199-R288 IonicContact OD2-NH2 3.11Å; T201-R288 PolarHBondContact OG1-NE 3.15Å; E250-R288 VanDerWaalsContact CD-NH1 3.33Å; E250-R288 IonicContact OE1-CZ 3.62Å; E250-R288 IonicContact OE1-NH1 3.4Å; E250-R288 PolarHBondContact OE1-NH1 2.97Å; E250-R288 IonicContact OE1-NH2 3.87Å; E250-R288 IonicContact OE2-CZ 3.33Å; E250-R288 IonicContact OE2-NH1 2.9Å; E250-R288 PolarHBondContact OE2-NH1 3.25Å; E250-R288 IonicContact OE2-NH2 2.89Å; E250-R288 PolarHBondContact OE2-NH2 2.98Å; R288-E292 VanDerWaalsContact CA-OE2 3.3Å; R288-E292 WeakPolarHBondContact CA-OE2 2.97Å; R288-E292 HydrophobicContact CB-CB 4.23Å; R288-E292 VanDerWaalsContact CB-OE2 3.3Å; R288-E292 WeakPolarHBondContact CB-OE2 3.48Å; R288-E292 WeakPolarHBondContact CG-OE2 3.15Å; R288-L293 HydrophobicContact CB-CD2 3.98Å; R288-L293 HydrophobicContact CB-CG 4.34Å
289	S	92.6	Very high	77.9	Confident	7 Å²	7	66.1 Å²	66.1	5%	0.049	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-75.4	156.3	175.2	63.9	0	0	0	0	111.9	L291 E292 L293	S289-L291 PolarHBondContact O-N 2.81Å; S289-L291 VanDerWaalsContact O-N 3.16Å; S289-L291 WeakPolarHBondContact OG-CB 3.43Å; S289-E292 WeakPolarHBondContact O-CB 3.15Å; S289-E292 PolarHBondContact O-N 2.77Å; S289-E292 WeakPolarHBondContact OG-CG 3.42Å; S289-E292 PolarHBondContact OG-N 3.39Å; S289-E292 PolarHBondContact OG-OE1 2.5Å; S289-L293 WeakPolarHBondContact O-CG 3.4Å; S289-L293 PolarHBondContact O-N 3.43Å
290	L	94.8	Very high	80.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-55.6	-33.7	173.7	-175.8	65.2	0	0	0	111.5	L7 Y209 V239 L293 T294 V299 Y300 L303	L7-L290 HydrophobicContact CD2-CD2 3.61Å; Y209-L290 HydrophobicContact CE1-CD1 3.99Å; V239-L290 HydrophobicContact CG1-CD1 3.9Å; L290-L293 PolarHBondContact O-N 2.76Å; L290-T294 HydrophobicContact CD1-CG2 3.98Å; L290-T294 HydrophobicContact CG-CG2 4.29Å; L290-T294 WeakPolarHBondContact O-CG2 3.35Å; L290-T294 PolarHBondContact O-N 3.34Å; L290-T294 PolarHBondContact O-OG1 3.48Å; L290-V299 HydrophobicContact CD2-CG1 4.44Å; L290-V299 HydrophobicContact CD2-CG2 3.99Å; L290-V299 HydrophobicContact CG-CG1 4.46Å; L290-V299 HydrophobicContact CG-CG2 4.24Å; L290-Y300 HydrophobicContact CD2-CE1 4.03Å; L290-L303 HydrophobicContact CD2-CD1 3.93Å
291	L	93.5	Very high	82.3	Confident	71 Å²	71	59.4 Å²	59.4	37%	0.372	32%	0.32	S	S	.	.	H	α-helix	trans	-54.9	-49.1	172.3	-178.7	74.3	0	0	0	112.3	S289 G295 E296	S289-L291 PolarHBondContact O-N 2.81Å; S289-L291 VanDerWaalsContact O-N 3.16Å; S289-L291 WeakPolarHBondContact OG-CB 3.43Å; L291-G295 WeakPolarHBondContact O-CA 3.34Å; L291-G295 PolarHBondContact O-N 3.14Å; L291-E296 VanDerWaalsContact CD1-C 3.45Å; L291-E296 WeakPolarHBondContact CD1-O 3.37Å; L291-E296 PolarHBondContact O-N 3.38Å
292	E	93.4	Very high	84.6	Confident	76 Å²	76	55.1 Å²	55.1	36%	0.355	30%	0.299	S	S	.	.	H	α-helix	trans	-68.7	-36.7	177.9	-72.7	163	-148	0	0	111.8	N122 R288 S289	N122-E292 PolarHBondContact ND2-OE1 3.41Å; R288-E292 VanDerWaalsContact CA-OE2 3.3Å; R288-E292 WeakPolarHBondContact CA-OE2 2.97Å; R288-E292 HydrophobicContact CB-CB 4.23Å; R288-E292 VanDerWaalsContact CB-OE2 3.3Å; R288-E292 WeakPolarHBondContact CB-OE2 3.48Å; R288-E292 WeakPolarHBondContact CG-OE2 3.15Å; S289-E292 WeakPolarHBondContact O-CB 3.15Å; S289-E292 PolarHBondContact O-N 2.77Å; S289-E292 WeakPolarHBondContact OG-CG 3.42Å; S289-E292 PolarHBondContact OG-N 3.39Å; S289-E292 PolarHBondContact OG-OE1 2.5Å
293	L	95.4	Very high	86.8	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-69.2	-38	179.7	-63.6	-179.4	0	0	0	112.5	V197 D199 Y209 A243 V246 R288 S289 L290	V197-L293 HydrophobicContact CG1-CD1 4.21Å; D199-L293 HydrophobicContact CB-CD2 3.78Å; D199-L293 VanDerWaalsContact OD2-CD2 3.28Å; D199-L293 WeakPolarHBondContact OD2-CD2 3.4Å; Y209-L293 HydrophobicContact CE2-CD1 4.49Å; A243-L293 VanDerWaalsContact CA-O 3.3Å; A243-L293 WeakPolarHBondContact CA-O 3.42Å; V246-L293 WeakPolarHBondContact CB-O 3.17Å; V246-L293 WeakPolarHBondContact CG2-O 3.42Å; R288-L293 HydrophobicContact CB-CD2 3.98Å; R288-L293 HydrophobicContact CB-CG 4.34Å; S289-L293 WeakPolarHBondContact O-CG 3.4Å; S289-L293 PolarHBondContact O-N 3.43Å; L290-L293 PolarHBondContact O-N 2.76Å
294	T	95.8	Very high	88.7	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-93.9	-16.7	-178.4	61.8	0	0	0	0	113.7	V239 R242 L290 E296 V299	V239-T294 HydrophobicContact CG1-CG2 4.25Å; R242-T294 HydrophobicContact CB-CG2 4.03Å; L290-T294 HydrophobicContact CD1-CG2 3.98Å; L290-T294 HydrophobicContact CG-CG2 4.29Å; L290-T294 WeakPolarHBondContact O-CG2 3.35Å; L290-T294 PolarHBondContact O-N 3.34Å; L290-T294 PolarHBondContact O-OG1 3.48Å; T294-E296 PolarHBondContact O-N 3.34Å; T294-E296 PolarHBondContact OG1-N 3.15Å; T294-V299 HydrophobicContact CG2-CG2 4.37Å
295	G	93.4	Very high	90.4	Very high	59 Å²	59	48.6 Å²	48.6	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	21.8	-174.2	0	0	0	0	0	113.7	L291	L291-G295 WeakPolarHBondContact O-CA 3.34Å; L291-G295 PolarHBondContact O-N 3.14Å
296	E	91.2	Very high	91.8	Very high	10 Å²	10	45 Å²	45	5%	0.047	22%	0.222	C	C	.	.			trans	-120.9	111.7	-174.2	-71	-162.4	139.8	0	0	113.8	Y238 R242 L291 T294 D298 V299 K302	Y238-E296 PolarHBondContact OH-OE1 2.88Å; Y238-E296 PolarHBondContact OH-OE2 3.41Å; R242-E296 IonicContact CZ-OE1 2.66Å; R242-E296 IonicContact NE-OE1 2.68Å; R242-E296 PolarHBondContact NE-OE1 3.28Å; R242-E296 VanDerWaalsContact NE-OE1 3.11Å; R242-E296 IonicContact NH1-OE1 3.23Å; R242-E296 PolarHBondContact NH1-OE1 3.3Å; R242-E296 IonicContact NH2-OE1 3.77Å; R242-E296 PolarHBondContact NH2-OE1 2.95Å; L291-E296 VanDerWaalsContact CD1-C 3.45Å; L291-E296 WeakPolarHBondContact CD1-O 3.37Å; L291-E296 PolarHBondContact O-N 3.38Å; T294-E296 PolarHBondContact O-N 3.34Å; T294-E296 PolarHBondContact OG1-N 3.15Å; E296-D298 PolarHBondContact O-N 3.07Å; E296-D298 VanDerWaalsContact O-N 3.12Å; E296-V299 HydrophobicContact CB-CB 4.21Å; E296-V299 PolarHBondContact O-N 2.96Å; E296-K302 VanDerWaalsContact CD-NZ 3.25Å; E296-K302 IonicContact OE1-NZ 2.99Å; E296-K302 PolarHBondContact OE1-NZ 3.26Å; E296-K302 IonicContact OE2-NZ 2.65Å; E296-K302 PolarHBondContact OE2-NZ 2.99Å
297	E	89.5	Confident	92.7	Very high	194 Å²	194	40.5 Å²	40.5	91%	0.907	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.1	177.6	-64.6	-168.4	171.2	0	0	114.7
298	D	90	Very high	93	Very high	50 Å²	50	40.2 Å²	40.2	27%	0.267	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	16	-175	72.8	-27.4	0	0	0	114.1	E296 Y300 R301 K302	E296-D298 PolarHBondContact O-N 3.07Å; E296-D298 VanDerWaalsContact O-N 3.12Å; D298-Y300 VanDerWaalsContact C-N 3.33Å; D298-Y300 PolarHBondContact O-N 3.41Å; D298-R301 HydrophobicContact CB-CB 4.32Å; D298-R301 WeakPolarHBondContact O-CA 3.34Å; D298-R301 WeakPolarHBondContact O-CB 3.47Å; D298-R301 PolarHBondContact O-N 3.48Å; D298-K302 PolarHBondContact O-N 3.32Å; D298-K302 WeakPolarHBondContact OD1-CE 3.49Å; D298-K302 IonicContact OD1-NZ 3.28Å; D298-K302 PolarHBondContact OD1-NZ 2.92Å; D298-K302 WeakPolarHBondContact OD2-CE 3.2Å; D298-K302 IonicContact OD2-NZ 3.31Å; D298-K302 PolarHBondContact OD2-NZ 3.34Å
299	V	93.4	Very high	93.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-52.3	-46.9	-176.5	67	0	0	0	0	112.7	L290 T294 E296 R301 K302 L303	L290-V299 HydrophobicContact CD2-CG1 4.44Å; L290-V299 HydrophobicContact CD2-CG2 3.99Å; L290-V299 HydrophobicContact CG-CG1 4.46Å; L290-V299 HydrophobicContact CG-CG2 4.24Å; T294-V299 HydrophobicContact CG2-CG2 4.37Å; E296-V299 HydrophobicContact CB-CB 4.21Å; E296-V299 PolarHBondContact O-N 2.96Å; V299-R301 VanDerWaalsContact C-N 3.34Å; V299-R301 PolarHBondContact O-N 3.48Å; V299-K302 PolarHBondContact O-N 3.16Å; V299-L303 HydrophobicContact CG2-CD1 4.21Å; V299-L303 VanDerWaalsContact O-CG 3.3Å; V299-L303 WeakPolarHBondContact O-CG 3.3Å; V299-L303 PolarHBondContact O-N 3.08Å
300	Y	94.2	Very high	93.1	Very high	18 Å²	18	39.2 Å²	39.2	7%	0.071	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-27.7	179.4	-66.9	-68.8	0	0	0	113.2	F20 R125 S126 L290 D298 L303 N304	F20-Y300 HydrophobicContact CB-CD1 3.94Å; F20-Y300 HydrophobicContact CB-CE1 4.08Å; F20-Y300 HydrophobicContact CD2-CD1 4.24Å; F20-Y300 HydrophobicContact CG-CD1 4.04Å; R125-Y300 PolarHBondContact O-OH 2.96Å; S126-Y300 VanDerWaalsContact CA-CE2 3.44Å; S126-Y300 VanDerWaalsContact CA-CZ 3.44Å; S126-Y300 VanDerWaalsContact O-CD2 3.23Å; S126-Y300 WeakPolarHBondContact O-CD2 3.49Å; S126-Y300 VanDerWaalsContact O-CE2 3.3Å; S126-Y300 WeakPolarHBondContact O-CE2 3.44Å; L290-Y300 HydrophobicContact CD2-CE1 4.03Å; D298-Y300 VanDerWaalsContact C-N 3.33Å; D298-Y300 PolarHBondContact O-N 3.41Å; Y300-L303 HydrophobicContact CD1-CD1 4.11Å; Y300-L303 HydrophobicContact CE1-CD1 4.49Å; Y300-N304 VanDerWaalsContact O-CB 3.29Å; Y300-N304 WeakPolarHBondContact O-CB 3.42Å; Y300-N304 PolarHBondContact O-N 3.41Å
301	R	91.4	Very high	92.9	Very high	144 Å²	144	39.5 Å²	39.5	54%	0.543	19%	0.192	S	C	.	.	H	α-helix	trans	-68.2	-42.6	173	-174.7	-174.6	-66.7	137	-0.3	110.4	F134 D298 V299 N304 R305	F134-R301 HydrophobicContact CD1-CG 4.47Å; F134-R301 HydrophobicContact CE1-CB 3.83Å; F134-R301 HydrophobicContact CE1-CG 4.01Å; F134-R301 HydrophobicContact CZ-CB 3.95Å; D298-R301 HydrophobicContact CB-CB 4.32Å; D298-R301 WeakPolarHBondContact O-CA 3.34Å; D298-R301 WeakPolarHBondContact O-CB 3.47Å; D298-R301 PolarHBondContact O-N 3.48Å; V299-R301 VanDerWaalsContact C-N 3.34Å; V299-R301 PolarHBondContact O-N 3.48Å; R301-N304 PolarHBondContact O-N 3.02Å; R301-R305 WeakPolarHBondContact O-CG 3.41Å; R301-R305 PolarHBondContact O-N 3.08Å; R301-R305 VanDerWaalsContact O-N 3.08Å
302	K	92.3	Very high	92.6	Very high	40 Å²	40	39.8 Å²	39.8	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-46.1	175.3	-72.9	-179.7	-180	137.4	0	111.6	Y238 E296 D298 V299 N304 R305 A306 F368	Y238-K302 WeakPolarHBondContact OH-CD 3.42Å; Y238-K302 PolarHBondContact OH-NZ 3.08Å; E296-K302 VanDerWaalsContact CD-NZ 3.25Å; E296-K302 IonicContact OE1-NZ 2.99Å; E296-K302 PolarHBondContact OE1-NZ 3.26Å; E296-K302 IonicContact OE2-NZ 2.65Å; E296-K302 PolarHBondContact OE2-NZ 2.99Å; D298-K302 PolarHBondContact O-N 3.32Å; D298-K302 WeakPolarHBondContact OD1-CE 3.49Å; D298-K302 IonicContact OD1-NZ 3.28Å; D298-K302 PolarHBondContact OD1-NZ 2.92Å; D298-K302 WeakPolarHBondContact OD2-CE 3.2Å; D298-K302 IonicContact OD2-NZ 3.31Å; D298-K302 PolarHBondContact OD2-NZ 3.34Å; V299-K302 PolarHBondContact O-N 3.16Å; K302-N304 VanDerWaalsContact C-N 3.3Å; K302-N304 PolarHBondContact O-N 3.5Å; K302-R305 WeakPolarHBondContact O-CB 3.15Å; K302-R305 PolarHBondContact O-N 2.92Å; K302-R305 VanDerWaalsContact O-N 3.16Å; K302-A306 PolarHBondContact O-N 3.42Å; K302-F368 HydrophobicContact CB-CD1 3.69Å; K302-F368 HydrophobicContact CB-CE1 3.65Å; K302-F368 HydrophobicContact CG-CD1 4.34Å; K302-F368 WeakPolarHBondContact O-CD1 3.27Å; K302-F368 WeakPolarHBondContact O-CE1 3.48Å
303	L	95.1	Very high	92.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-40.3	174	-70.3	172.7	0	0	0	111.9	L7 I235 V239 L290 V299 Y300 R305 A306 F307	L7-L303 HydrophobicContact CD2-CD1 3.81Å; I235-L303 HydrophobicContact CG2-CD2 3.57Å; V239-L303 HydrophobicContact CG2-CD2 4.38Å; L290-L303 HydrophobicContact CD2-CD1 3.93Å; V299-L303 HydrophobicContact CG2-CD1 4.21Å; V299-L303 VanDerWaalsContact O-CG 3.3Å; V299-L303 WeakPolarHBondContact O-CG 3.3Å; V299-L303 PolarHBondContact O-N 3.08Å; Y300-L303 HydrophobicContact CD1-CD1 4.11Å; Y300-L303 HydrophobicContact CE1-CD1 4.49Å; L303-R305 PolarHBondContact O-N 3.41Å; L303-A306 WeakPolarHBondContact O-CB 3.23Å; L303-A306 PolarHBondContact O-N 3.36Å; L303-F307 WeakPolarHBondContact O-CD1 3.4Å; L303-F307 VanDerWaalsContact O-CG 3.26Å; L303-F307 WeakPolarHBondContact O-CG 3.38Å; L303-F307 PolarHBondContact O-N 3Å
304	N	93.7	Very high	91.7	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-46.6	174.1	-174.5	71.3	0	0	0	111.8	F20 F134 G147 Y300 R301 K302 A306 F307 V308	F20-N304 HydrophobicContact CE1-CB 3.88Å; F20-N304 HydrophobicContact CZ-CB 3.77Å; F134-N304 HydrophobicContact CB-CB 4.35Å; F134-N304 WeakPolarHBondContact CB-ND2 3.49Å; F134-N304 HydrophobicContact CD2-CB 3.91Å; F134-N304 HydrophobicContact CE2-CB 4.47Å; F134-N304 HydrophobicContact CG-CB 4.17Å; G147-N304 VanDerWaalsContact CA-OD1 3.25Å; G147-N304 WeakPolarHBondContact CA-OD1 3.49Å; Y300-N304 VanDerWaalsContact O-CB 3.29Å; Y300-N304 WeakPolarHBondContact O-CB 3.42Å; Y300-N304 PolarHBondContact O-N 3.41Å; R301-N304 PolarHBondContact O-N 3.02Å; K302-N304 VanDerWaalsContact C-N 3.3Å; K302-N304 PolarHBondContact O-N 3.5Å; N304-A306 VanDerWaalsContact C-N 3.3Å; N304-A306 PolarHBondContact O-N 2.83Å; N304-F307 PolarHBondContact O-N 3.4Å; N304-V308 WeakPolarHBondContact O-CB 3.36Å; N304-V308 VanDerWaalsContact O-CG2 3.23Å; N304-V308 WeakPolarHBondContact O-CG2 3.43Å; N304-V308 PolarHBondContact O-N 2.78Å
305	R	91.6	Very high	90.8	Very high	114 Å²	114	39.8 Å²	39.8	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-59.1	-43.6	176.2	-68.8	174.9	75.7	-178.9	4.8	111.5	R301 K302 L303 V308 W309 F368 T369	R301-R305 WeakPolarHBondContact O-CG 3.41Å; R301-R305 PolarHBondContact O-N 3.08Å; R301-R305 VanDerWaalsContact O-N 3.08Å; K302-R305 WeakPolarHBondContact O-CB 3.15Å; K302-R305 PolarHBondContact O-N 2.92Å; K302-R305 VanDerWaalsContact O-N 3.16Å; L303-R305 PolarHBondContact O-N 3.41Å; R305-V308 PolarHBondContact O-N 2.89Å; R305-W309 WeakPolarHBondContact O-CB 3.43Å; R305-W309 PolarHBondContact O-N 2.84Å; R305-F368 PolarHBondContact NE-O 3.36Å; R305-F368 PolarHBondContact NH1-O 3.24Å; R305-F368 PolarHBondContact NH2-O 2.89Å; R305-F368 VanDerWaalsContact NH2-O 3.07Å; R305-T369 VanDerWaalsContact NH2-C 3.33Å; R305-T369 VanDerWaalsContact NH2-CA 3.34Å; R305-T369 PolarHBondContact NH2-O 3.39Å
306	A	93.6	Very high	89.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-46.1	177	0	0	0	0	0	112.3	I235 K302 L303 N304 W309 I310 I367 F368	I235-A306 HydrophobicContact CD1-CB 3.71Å; I235-A306 HydrophobicContact CG1-CB 4.09Å; K302-A306 PolarHBondContact O-N 3.42Å; L303-A306 WeakPolarHBondContact O-CB 3.23Å; L303-A306 PolarHBondContact O-N 3.36Å; N304-A306 VanDerWaalsContact C-N 3.3Å; N304-A306 PolarHBondContact O-N 2.83Å; A306-W309 PolarHBondContact O-N 3.38Å; A306-I310 WeakPolarHBondContact O-CG1 3.49Å; A306-I310 PolarHBondContact O-N 2.8Å; A306-I367 HydrophobicContact CB-CG2 3.24Å; A306-F368 HydrophobicContact CB-CD1 4.3Å; A306-F368 HydrophobicContact CB-CE1 3.97Å
307	F	95.8	Very high	88.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-39.2	-179.8	-66.2	-4.6	0	0	0	112.2	V5 L7 F20 C22 I211 I235 L303 N304 W309 I310 L311	V5-F307 HydrophobicContact CB-CB 4.07Å; V5-F307 HydrophobicContact CB-CD1 4.27Å; V5-F307 HydrophobicContact CB-CD2 4.13Å; V5-F307 HydrophobicContact CB-CG 3.92Å; V5-F307 HydrophobicContact CG1-CB 4.22Å; V5-F307 HydrophobicContact CG1-CD1 3.47Å; V5-F307 VanDerWaalsContact CG1-CD1 3.47Å; V5-F307 HydrophobicContact CG1-CD2 3.93Å; V5-F307 HydrophobicContact CG1-CE1 3.68Å; V5-F307 HydrophobicContact CG1-CE2 4.1Å; V5-F307 HydrophobicContact CG1-CG 3.61Å; V5-F307 HydrophobicContact CG1-CZ 3.98Å; L7-F307 HydrophobicContact CB-CE2 4.44Å; L7-F307 HydrophobicContact CB-CZ 4.15Å; F20-F307 HydrophobicContact CD1-CD2 4.06Å; F20-F307 AromaticContact CD1-CE2 3.87Å; F20-F307 HydrophobicContact CD1-CE2 3.87Å; F20-F307 HydrophobicContact CE1-CD2 4.15Å; F20-F307 HydrophobicContact CE1-CE2 4.42Å; C22-F307 HydrophobicContact CB-CB 3.54Å; C22-F307 HydrophobicContact CB-CD2 3.91Å; C22-F307 HydrophobicContact CB-CG 4.25Å; I211-F307 HydrophobicContact CG2-CE1 3.8Å; I211-F307 HydrophobicContact CG2-CZ 3.92Å; I235-F307 HydrophobicContact CD1-CD1 4.26Å; I235-F307 HydrophobicContact CD1-CE1 4.21Å; L303-F307 WeakPolarHBondContact O-CD1 3.4Å; L303-F307 VanDerWaalsContact O-CG 3.26Å; L303-F307 WeakPolarHBondContact O-CG 3.38Å; L303-F307 PolarHBondContact O-N 3Å; N304-F307 PolarHBondContact O-N 3.4Å; F307-W309 VanDerWaalsContact C-N 3.32Å; F307-I310 PolarHBondContact O-N 2.92Å; F307-L311 WeakPolarHBondContact O-CB 3.46Å; F307-L311 VanDerWaalsContact O-CG 3.3Å; F307-L311 WeakPolarHBondContact O-CG 3.3Å; F307-L311 PolarHBondContact O-N 3.43Å
308	V	92.3	Very high	87.6	Confident	15 Å²	15	38.2 Å²	38.2	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-44.5	172.2	172.6	0	0	0	0	110.7	V136 Y145 N304 R305 L311 R312	V136-V308 HydrophobicContact CB-CG1 4.41Å; V136-V308 HydrophobicContact CB-CG2 4.27Å; V136-V308 HydrophobicContact CG1-CG1 4.13Å; V136-V308 HydrophobicContact CG2-CG2 4.15Å; Y145-V308 HydrophobicContact CD1-CG1 4.35Å; Y145-V308 HydrophobicContact CD2-CG1 3.91Å; Y145-V308 HydrophobicContact CE2-CG1 4.37Å; Y145-V308 HydrophobicContact CG-CB 4.49Å; Y145-V308 HydrophobicContact CG-CG1 3.91Å; Y145-V308 HydrophobicContact CG-CG2 4.12Å; N304-V308 WeakPolarHBondContact O-CB 3.36Å; N304-V308 VanDerWaalsContact O-CG2 3.23Å; N304-V308 WeakPolarHBondContact O-CG2 3.43Å; N304-V308 PolarHBondContact O-N 2.78Å; R305-V308 PolarHBondContact O-N 2.89Å; V308-L311 PolarHBondContact O-N 2.97Å; V308-R312 VanDerWaalsContact O-CB 3.28Å; V308-R312 WeakPolarHBondContact O-CB 3.46Å; V308-R312 PolarHBondContact O-N 2.96Å
309	W	91.9	Very high	86.1	Confident	20 Å²	20	41.4 Å²	41.4	8%	0.076	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-46.9	177.7	-179.7	92.8	0	0	0	111.6	F227 R305 A306 F307 L311 R312 A313 V362 D366 I367 V371	F227-W309 AromaticContact CE2-CH2 3.72Å; F227-W309 HydrophobicContact CE2-CH2 3.72Å; F227-W309 AromaticContact CE2-CZ3 3.77Å; F227-W309 HydrophobicContact CE2-CZ3 3.77Å; F227-W309 HydrophobicContact CZ-CH2 4.27Å; F227-W309 AromaticContact CZ-CZ3 3.9Å; F227-W309 HydrophobicContact CZ-CZ3 3.9Å; R305-W309 WeakPolarHBondContact O-CB 3.43Å; R305-W309 PolarHBondContact O-N 2.84Å; A306-W309 PolarHBondContact O-N 3.38Å; F307-W309 VanDerWaalsContact C-N 3.32Å; W309-L311 PolarHBondContact O-N 2.86Å; W309-R312 PolarHBondContact O-N 2.68Å; W309-A313 HydrophobicContact CD2-CB 4.49Å; W309-A313 HydrophobicContact CZ2-CB 4.49Å; W309-A313 WeakPolarHBondContact O-CB 3.21Å; W309-A313 PolarHBondContact O-N 3.48Å; W309-V362 HydrophobicContact CH2-CG1 3.61Å; W309-V362 HydrophobicContact CH2-CG2 4.35Å; W309-V362 HydrophobicContact CZ3-CG1 3.91Å; W309-D366 HydrophobicContact CZ2-CB 4.42Å; W309-I367 HydrophobicContact CD2-CG1 4.3Å; W309-I367 HydrophobicContact CE3-CB 4.5Å; W309-I367 HydrophobicContact CE3-CG1 3.8Å; W309-I367 HydrophobicContact CH2-CG1 4.25Å; W309-I367 HydrophobicContact CZ3-CG1 3.78Å; W309-V371 PolarHBondContact NE1-O 2.94Å
310	I	92.1	Very high	84.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.9	-50.8	176.7	-71.2	174	0	0	0	110.6	V5 F227 F228 L232 I235 A306 F307 R312 Q314	V5-I310 HydrophobicContact CG2-CG2 4.25Å; F227-I310 HydrophobicContact CE1-CG2 4.24Å; F228-I310 HydrophobicContact CD1-CG2 3.82Å; F228-I310 HydrophobicContact CE1-CG2 3.71Å; L232-I310 HydrophobicContact CD2-CD1 4.15Å; I235-I310 HydrophobicContact CD1-CD1 3.52Å; A306-I310 WeakPolarHBondContact O-CG1 3.49Å; A306-I310 PolarHBondContact O-N 2.8Å; F307-I310 PolarHBondContact O-N 2.92Å; I310-R312 VanDerWaalsContact C-N 3.34Å; I310-R312 PolarHBondContact O-N 3.05Å; I310-Q314 WeakPolarHBondContact O-CB 3.33Å; I310-Q314 PolarHBondContact O-N 3.38Å
311	L	92.2	Very high	82.5	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-41.5	-178	-71	169.8	0	0	0	111.8	A3 V5 C22 Y145 F307 V308 W309 M315	A3-L311 HydrophobicContact CB-CD2 3.77Å; A3-L311 WeakPolarHBondContact O-CD2 3.21Å; V5-L311 HydrophobicContact CG2-CD1 4.32Å; V5-L311 HydrophobicContact CG2-CD2 3.8Å; V5-L311 HydrophobicContact CG2-CG 3.81Å; C22-L311 HydrophobicContact CB-CD1 4.39Å; Y145-L311 HydrophobicContact CD1-CB 4.12Å; Y145-L311 HydrophobicContact CD1-CD1 4.04Å; Y145-L311 HydrophobicContact CE1-CB 3.68Å; Y145-L311 HydrophobicContact CE1-CD1 4.4Å; F307-L311 WeakPolarHBondContact O-CB 3.46Å; F307-L311 VanDerWaalsContact O-CG 3.3Å; F307-L311 WeakPolarHBondContact O-CG 3.3Å; F307-L311 PolarHBondContact O-N 3.43Å; V308-L311 PolarHBondContact O-N 2.97Å; W309-L311 PolarHBondContact O-N 2.86Å; L311-M315 VanDerWaalsContact O-CG 3.28Å; L311-M315 WeakPolarHBondContact O-CG 3.28Å; L311-M315 PolarHBondContact O-N 2.77Å
312	R	87.1	Confident	80.7	Confident	77 Å²	77	52.5 Å²	52.5	29%	0.291	26%	0.262	S	S	.	.	H	α-helix	trans	-71.1	-48.8	179.8	-177.3	178.9	165.6	-157.2	-10.8	112.3	D138 V308 W309 I310 Q314 M315 E316	D138-R312 IonicContact OD2-NE 3.06Å; V308-R312 VanDerWaalsContact O-CB 3.28Å; V308-R312 WeakPolarHBondContact O-CB 3.46Å; V308-R312 PolarHBondContact O-N 2.96Å; W309-R312 PolarHBondContact O-N 2.68Å; I310-R312 VanDerWaalsContact C-N 3.34Å; I310-R312 PolarHBondContact O-N 3.05Å; R312-Q314 VanDerWaalsContact C-N 3.28Å; R312-Q314 PolarHBondContact O-N 3.39Å; R312-M315 WeakPolarHBondContact O-CB 3.28Å; R312-M315 PolarHBondContact O-N 3.09Å; R312-E316 IonicContact CZ-OE1 2.7Å; R312-E316 IonicContact NE-OE1 2.67Å; R312-E316 PolarHBondContact NE-OE1 3.28Å; R312-E316 IonicContact NH2-OE1 3.83Å; R312-E316 PolarHBondContact NH2-OE1 3.43Å; R312-E316 PolarHBondContact O-N 2.71Å
313	A	85.5	Confident	78.6	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-39.4	-179.4	0	0	0	0	0	111.3	F227 W309 M315 E316 Q317 V372	F227-A313 HydrophobicContact CE2-CB 4.16Å; F227-A313 HydrophobicContact CZ-CB 3.76Å; W309-A313 HydrophobicContact CD2-CB 4.49Å; W309-A313 HydrophobicContact CZ2-CB 4.49Å; W309-A313 WeakPolarHBondContact O-CB 3.21Å; W309-A313 PolarHBondContact O-N 3.48Å; A313-M315 VanDerWaalsContact C-N 3.31Å; A313-M315 PolarHBondContact O-N 3.48Å; A313-E316 PolarHBondContact O-N 3.25Å; A313-Q317 WeakPolarHBondContact O-CG 3.34Å; A313-Q317 PolarHBondContact O-N 2.83Å; A313-V372 HydrophobicContact CB-CG2 4.42Å
314	Q	83.2	Confident	76.8	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.019	32%	0.32	C	S	.	.	H	α-helix	trans	-56.4	-44.4	171.6	171.6	57.4	58	0	0	112.5	L220 N224 F227 F228 I310 R312 Q317 C318	L220-Q314 HydrophobicContact CD1-CG 3.95Å; N224-Q314 VanDerWaalsContact CG-CD 3.44Å; N224-Q314 PolarHBondContact ND2-NE2 2.94Å; N224-Q314 PolarHBondContact ND2-OE1 3.47Å; N224-Q314 PolarHBondContact OD1-NE2 3.08Å; N224-Q314 PolarHBondContact OD1-OE1 3.32Å; F227-Q314 HydrophobicContact CE1-CB 4.08Å; F228-Q314 HydrophobicContact CE1-CB 4.38Å; F228-Q314 HydrophobicContact CE1-CG 4.36Å; F228-Q314 VanDerWaalsContact CE2-OE1 3.24Å; F228-Q314 HydrophobicContact CZ-CB 4.23Å; F228-Q314 HydrophobicContact CZ-CG 3.73Å; I310-Q314 WeakPolarHBondContact O-CB 3.33Å; I310-Q314 PolarHBondContact O-N 3.38Å; R312-Q314 VanDerWaalsContact C-N 3.28Å; R312-Q314 PolarHBondContact O-N 3.39Å; Q314-Q317 PolarHBondContact O-N 2.88Å; Q314-C318 PolarHBondContact O-N 2.91Å
315	M	77.9	Confident	75.3	Confident	79 Å²	79	66.8 Å²	66.8	39%	0.389	35%	0.347	S	S	.	.	H	α-helix	trans	-69	-37.3	-179.1	-72.8	-173.6	75.4	0	0	112.2	I143 L311 R312 A313 Q317 C318	I143-M315 HydrophobicContact CD1-CE 3.57Å; I143-M315 HydrophobicContact CD1-SD 3.73Å; L311-M315 VanDerWaalsContact O-CG 3.28Å; L311-M315 WeakPolarHBondContact O-CG 3.28Å; L311-M315 PolarHBondContact O-N 2.77Å; R312-M315 WeakPolarHBondContact O-CB 3.28Å; R312-M315 PolarHBondContact O-N 3.09Å; A313-M315 VanDerWaalsContact C-N 3.31Å; A313-M315 PolarHBondContact O-N 3.48Å; M315-Q317 VanDerWaalsContact C-N 3.28Å; M315-Q317 PolarHBondContact O-N 3.04Å; M315-C318 PolarHBondContact O-N 2.75Å
316	E	73.5	Confident	74.2	Confident	80 Å²	80	69.7 Å²	69.7	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-68.4	-26.6	175.7	-69.3	179	-176.9	0	0	112.3	R312 A313	R312-E316 IonicContact CZ-OE1 2.7Å; R312-E316 IonicContact NE-OE1 2.67Å; R312-E316 PolarHBondContact NE-OE1 3.28Å; R312-E316 IonicContact NH2-OE1 3.83Å; R312-E316 PolarHBondContact NH2-OE1 3.43Å; R312-E316 PolarHBondContact O-N 2.71Å; A313-E316 PolarHBondContact O-N 3.25Å
317	Q	67.8	Low	73.4	Confident	81 Å²	81	71.7 Å²	71.7	38%	0.379	38%	0.383	S	S	.	.	H	α-helix	trans	-83.5	-14.1	174.4	-71	-177.9	-0.3	0	0	114.1	A313 Q314 M315 V319	A313-Q317 WeakPolarHBondContact O-CG 3.34Å; A313-Q317 PolarHBondContact O-N 2.83Å; Q314-Q317 PolarHBondContact O-N 2.88Å; M315-Q317 VanDerWaalsContact C-N 3.28Å; M315-Q317 PolarHBondContact O-N 3.04Å; Q317-V319 PolarHBondContact O-N 3.37Å; Q317-V319 VanDerWaalsContact O-N 3.11Å
318	C	64.8	Low	72.8	Confident	69 Å²	69	72.7 Å²	72.7	47%	0.466	39%	0.388	S	S	.	.			trans	-76.2	101.1	179.9	-164.2	0	0	0	0	110.1	Q314 M315	Q314-C318 PolarHBondContact O-N 2.91Å; M315-C318 PolarHBondContact O-N 2.75Å
319	V	58.7	Low	72.6	Confident	116 Å²	116	72.2 Å²	72.2	70%	0.703	39%	0.385	S	S	*	.			trans	-101.4	107	175.1	-176.6	0	0	0	0	108.9	Q317 V321	Q317-V319 PolarHBondContact O-N 3.37Å; Q317-V319 VanDerWaalsContact O-N 3.11Å; V319-V321 HydrophobicContact CG1-CG2 4.25Å; V319-V321 PolarHBondContact O-N 3.34Å
320	E	56.4	Low	72.5	Confident	164 Å²	164	72.1 Å²	72.1	77%	0.766	39%	0.386	S	S	*	.			trans	-75	113.2	166.7	-70.4	-173.7	177.2	0	0	109.1	I322	E320-I322 PolarHBondContact O-N 3.42Å
321	V	55.1	Low	72.1	Confident	88 Å²	88	76.2 Å²	76.2	53%	0.533	41%	0.405	S	S	.	.			trans	-90.5	100.8	171.4	-178.1	0	0	0	0	107.8	V319 L323	V319-V321 HydrophobicContact CG1-CG2 4.25Å; V319-V321 PolarHBondContact O-N 3.34Å; V321-L323 PolarHBondContact O-N 3.14Å
322	I	53.5	Low	71.7	Confident	143 Å²	143	78 Å²	78	73%	0.733	41%	0.414	S	S	*	.			trans	-72.9	112.6	172.2	-57.1	175.5	0	0	0	107.7	E320	E320-I322 PolarHBondContact O-N 3.42Å
323	L	49.7	Very low	71.6	Confident	88 Å²	88	75.1 Å²	75.1	46%	0.461	41%	0.405	S	S	.	.			trans	-85.2	109.8	173.3	-75.1	157.3	0	0	0	109	V321 G325 P327	V321-L323 PolarHBondContact O-N 3.14Å; L323-G325 PolarHBondContact O-N 2.97Å; L323-G325 VanDerWaalsContact O-N 3.14Å; L323-P327 HydrophobicContact CD2-CB 4.21Å
324	E	57.1	Low	71.5	Confident	199 Å²	199	77.8 Å²	77.8	93%	0.93	42%	0.417	S	S	*	.			trans	-75.1	98.4	169.3	-70	-171.4	171	0	0	109.7
325	G	61.1	Low	71.1	Confident	58 Å²	58	79.5 Å²	79.5	60%	0.598	43%	0.426	S	S	*	.	S	Bend	trans	87.5	-178.8	179.7	0	0	0	0	0	114.2	L323	L323-G325 PolarHBondContact O-N 2.97Å; L323-G325 VanDerWaalsContact O-N 3.14Å
326	L	69.3	Low	71.2	Confident	175 Å²	175	78 Å²	78	92%	0.916	42%	0.418	S	S	*	.	S	Bend	trans	-69.3	127.4	177.3	-79.5	104.8	0	0	0	109.6	D328	L326-D328 PolarHBondContact O-N 3.02Å
327	P	76.3	Confident	71.3	Confident	42 Å²	42	76.2 Å²	76.2	27%	0.273	41%	0.413	S	S	.	.			trans	-61.4	137.9	177.1	25.8	-34	0	0	0	110.5	L323 H331 L332	L323-P327 HydrophobicContact CD2-CB 4.21Å; P327-H331 HydrophobicContact CB-CB 4.2Å; P327-L332 HydrophobicContact CB-CD2 4.15Å; P327-L332 HydrophobicContact CB-CG 4.04Å; P327-L332 HydrophobicContact CG-CD2 3.68Å; P327-L332 HydrophobicContact CG-CG 3.97Å
328	D	83.5	Confident	71.3	Confident	21 Å²	21	76.9 Å²	76.9	11%	0.112	41%	0.412	C	S	.	.			trans	-71.5	179.8	171.4	79.9	-0.6	0	0	0	111	L326 D330 H331 L332 Y565 Q569	L326-D328 PolarHBondContact O-N 3.02Å; D328-D330 PolarHBondContact OD1-N 2.72Å; D328-H331 WeakPolarHBondContact OD1-CB 3.34Å; D328-H331 IonicContact OD1-CE1 3.08Å; D328-H331 IonicContact OD1-CG 3.77Å; D328-H331 PolarHBondContact OD1-N 3.36Å; D328-H331 IonicContact OD1-ND1 2.75Å; D328-H331 PolarHBondContact OD1-ND1 3.31Å; D328-H331 IonicContact OD2-ND1 3.19Å; D328-H331 PolarHBondContact OD2-ND1 3.2Å; D328-L332 WeakPolarHBondContact O-CB 3.36Å; D328-L332 VanDerWaalsContact O-CG 3.29Å; D328-L332 WeakPolarHBondContact O-CG 3.48Å; D328-L332 PolarHBondContact O-N 3.42Å; D328-L332 VanDerWaalsContact O-N 3.08Å; D328-Y565 PolarHBondContact OD2-OH 3.43Å; D328-Q569 PolarHBondContact OD2-NE2 2.66Å
329	Q	88.6	Confident	71.1	Confident	4 Å²	4	78.7 Å²	78.7	2%	0.019	41%	0.413	C	S	.	.	H	α-helix	trans	-68.5	-36.2	179.2	-73.5	-72.9	-78.1	0	0	113.5	H331 L332 I333 V572 K576 L617 S618	Q329-H331 VanDerWaalsContact C-N 3.34Å; Q329-L332 PolarHBondContact O-N 3.43Å; Q329-I333 WeakPolarHBondContact O-CB 3.41Å; Q329-I333 WeakPolarHBondContact O-CD1 3.33Å; Q329-I333 WeakPolarHBondContact O-CG1 3.5Å; Q329-I333 PolarHBondContact O-N 3.21Å; Q329-V572 HydrophobicContact CB-CG1 3.96Å; Q329-V572 HydrophobicContact CG-CG1 3.61Å; Q329-K576 VanDerWaalsContact CD-CE 3.47Å; Q329-K576 HydrophobicContact CG-CD 4.46Å; Q329-L617 HydrophobicContact CG-CD2 4.19Å; Q329-S618 PolarHBondContact NE2-OG 2.74Å; Q329-S618 PolarHBondContact OE1-OG 2.91Å
330	D	88.6	Confident	71.3	Confident	18 Å²	18	78.8 Å²	78.8	10%	0.096	41%	0.407	C	S	.	.	H	α-helix	trans	-67.1	-40.1	-177.4	-75.3	-4.7	0	0	0	110.3	D328 I333 E334 R447 K568	D328-D330 PolarHBondContact OD1-N 2.72Å; D330-I333 PolarHBondContact O-N 2.75Å; D330-E334 WeakPolarHBondContact O-CB 3.42Å; D330-E334 PolarHBondContact O-N 3.21Å; D330-R447 HydrophobicContact CB-CB 4.16Å; D330-R447 WeakPolarHBondContact OD1-CB 3.29Å; D330-R447 PolarHBondContact OD1-N 3Å; D330-K568 IonicContact OD2-NZ 3.71Å; D330-K568 PolarHBondContact OD2-NZ 3.09Å
331	H	84.4	Confident	71.3	Confident	87 Å²	87	77.6 Å²	77.6	40%	0.403	40%	0.401	S	S	.	.	H	α-helix	trans	-67.3	-42	174	-70.9	81.9	0	0	0	111.8	P327 D328 Q329 I333 E334 L335	P327-H331 HydrophobicContact CB-CB 4.2Å; D328-H331 WeakPolarHBondContact OD1-CB 3.34Å; D328-H331 IonicContact OD1-CE1 3.08Å; D328-H331 IonicContact OD1-CG 3.77Å; D328-H331 PolarHBondContact OD1-N 3.36Å; D328-H331 IonicContact OD1-ND1 2.75Å; D328-H331 PolarHBondContact OD1-ND1 3.31Å; D328-H331 IonicContact OD2-ND1 3.19Å; D328-H331 PolarHBondContact OD2-ND1 3.2Å; Q329-H331 VanDerWaalsContact C-N 3.34Å; H331-I333 VanDerWaalsContact C-N 3.34Å; H331-I333 PolarHBondContact O-N 2.81Å; H331-E334 WeakPolarHBondContact O-CB 3.2Å; H331-E334 PolarHBondContact O-N 3.23Å; H331-L335 WeakPolarHBondContact O-CG 3.28Å; H331-L335 PolarHBondContact O-N 2.92Å
332	L	84	Confident	71	Confident	42 Å²	42	82.9 Å²	82.9	22%	0.22	41%	0.412	C	S	.	.	H	α-helix	trans	-61.4	-43.3	175.6	-76.8	171.2	0	0	0	111.9	P327 D328 Q329 E334 L335 E336	P327-L332 HydrophobicContact CB-CD2 4.15Å; P327-L332 HydrophobicContact CB-CG 4.04Å; P327-L332 HydrophobicContact CG-CD2 3.68Å; P327-L332 HydrophobicContact CG-CG 3.97Å; D328-L332 WeakPolarHBondContact O-CB 3.36Å; D328-L332 VanDerWaalsContact O-CG 3.29Å; D328-L332 WeakPolarHBondContact O-CG 3.48Å; D328-L332 PolarHBondContact O-N 3.42Å; D328-L332 VanDerWaalsContact O-N 3.08Å; Q329-L332 PolarHBondContact O-N 3.43Å; L332-E334 VanDerWaalsContact C-N 3.33Å; L332-L335 PolarHBondContact O-N 3.07Å; L332-E336 WeakPolarHBondContact O-CG 3.22Å; L332-E336 PolarHBondContact O-N 3.4Å
333	I	85.6	Confident	70.1	Confident	18 Å²	18	78.1 Å²	78.1	9%	0.092	40%	0.398	C	S	.	.	H	α-helix	trans	-65.4	-40.8	177.2	-68.6	163.2	0	0	0	110.2	Q329 D330 H331 L335 E336 T337 R447 G616	Q329-I333 WeakPolarHBondContact O-CB 3.41Å; Q329-I333 WeakPolarHBondContact O-CD1 3.33Å; Q329-I333 WeakPolarHBondContact O-CG1 3.5Å; Q329-I333 PolarHBondContact O-N 3.21Å; D330-I333 PolarHBondContact O-N 2.75Å; H331-I333 VanDerWaalsContact C-N 3.34Å; H331-I333 PolarHBondContact O-N 2.81Å; I333-L335 PolarHBondContact O-N 3.19Å; I333-E336 PolarHBondContact O-N 2.84Å; I333-T337 WeakPolarHBondContact O-CB 3.48Å; I333-T337 PolarHBondContact O-N 3.13Å; I333-T337 PolarHBondContact O-OG1 3.35Å; I333-R447 HydrophobicContact CG2-CG 4.17Å; I333-G616 WeakPolarHBondContact CD1-O 3.31Å
334	E	82.4	Confident	69.3	Low	58 Å²	58	78.5 Å²	78.5	27%	0.271	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-43.9	175.4	-174.7	169.9	172	0	0	112.6	D330 H331 L332 T337 R338 R447	D330-E334 WeakPolarHBondContact O-CB 3.42Å; D330-E334 PolarHBondContact O-N 3.21Å; H331-E334 WeakPolarHBondContact O-CB 3.2Å; H331-E334 PolarHBondContact O-N 3.23Å; L332-E334 VanDerWaalsContact C-N 3.33Å; E334-T337 PolarHBondContact O-N 2.95Å; E334-R338 VanDerWaalsContact CD-NH2 3.29Å; E334-R338 WeakPolarHBondContact O-CG 3.42Å; E334-R338 PolarHBondContact O-N 2.91Å; E334-R338 IonicContact OE1-CZ 3.51Å; E334-R338 IonicContact OE1-NE 2.85Å; E334-R338 IonicContact OE1-NH2 3.4Å; E334-R338 PolarHBondContact OE1-NH2 2.92Å; E334-R447 VanDerWaalsContact CD-NH1 3.26Å; E334-R447 IonicContact OE2-NH1 3.55Å; E334-R447 PolarHBondContact OE2-NH1 3.23Å
335	L	74	Confident	68	Low	40 Å²	40	73.7 Å²	73.7	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-47.8	173.4	-71.1	167.9	0	0	0	110.7	H331 L332 I333 T337 R338 H339	H331-L335 WeakPolarHBondContact O-CG 3.28Å; H331-L335 PolarHBondContact O-N 2.92Å; L332-L335 PolarHBondContact O-N 3.07Å; I333-L335 PolarHBondContact O-N 3.19Å; L335-T337 VanDerWaalsContact C-N 3.33Å; L335-T337 PolarHBondContact O-N 3.21Å; L335-R338 PolarHBondContact O-N 3.42Å; L335-H339 WeakPolarHBondContact O-CB 3.31Å; L335-H339 PolarHBondContact O-CD2 3.01Å; L335-H339 PolarHBondContact O-N 3.23Å
336	E	80.3	Confident	66.4	Low	48 Å²	48	81 Å²	81	22%	0.224	39%	0.39	C	S	.	.	H	α-helix	trans	-56.9	-43.6	176	-74.9	173.3	-171.8	0	0	112.2	L332 I333 H339 M340 S618 R619 S620	L332-E336 WeakPolarHBondContact O-CG 3.22Å; L332-E336 PolarHBondContact O-N 3.4Å; I333-E336 PolarHBondContact O-N 2.84Å; E336-H339 PolarHBondContact O-N 3Å; E336-M340 WeakPolarHBondContact O-CB 2.85Å; E336-M340 PolarHBondContact O-N 3.49Å; E336-S618 WeakPolarHBondContact OE1-CB 3.28Å; E336-R619 PolarHBondContact OE1-N 3.44Å; E336-R619 VanDerWaalsContact OE1-N 3.16Å; E336-R619 PolarHBondContact OE2-N 3.36Å; E336-S620 WeakPolarHBondContact OE1-CB 3.37Å; E336-S620 PolarHBondContact OE1-N 3.13Å; E336-S620 PolarHBondContact OE1-OG 3.08Å
337	T	76.9	Confident	64.3	Low	42 Å²	42	82.3 Å²	82.3	26%	0.258	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-48.5	176.6	-58.5	0	0	0	0	111.2	I333 E334 L335 H339 M340 E341	I333-T337 WeakPolarHBondContact O-CB 3.48Å; I333-T337 PolarHBondContact O-N 3.13Å; I333-T337 PolarHBondContact O-OG1 3.35Å; E334-T337 PolarHBondContact O-N 2.95Å; L335-T337 VanDerWaalsContact C-N 3.33Å; L335-T337 PolarHBondContact O-N 3.21Å; T337-H339 VanDerWaalsContact C-N 3.31Å; T337-H339 PolarHBondContact O-N 3.38Å; T337-M340 PolarHBondContact O-N 3.3Å; T337-E341 HydrophobicContact CG2-CG 4.49Å; T337-E341 WeakPolarHBondContact CG2-OE1 3.46Å; T337-E341 WeakPolarHBondContact O-CG 3.45Å; T337-E341 PolarHBondContact O-N 2.94Å
338	R	66.6	Low	61.8	Low	95 Å²	95	88.7 Å²	88.7	36%	0.358	42%	0.415	S	S	.	.	H	α-helix	trans	-60.9	-39.7	176.9	-70.6	-173.6	-143.9	157.8	1.1	112	E334 L335 M340 E341 R342	E334-R338 VanDerWaalsContact CD-NH2 3.29Å; E334-R338 WeakPolarHBondContact O-CG 3.42Å; E334-R338 PolarHBondContact O-N 2.91Å; E334-R338 IonicContact OE1-CZ 3.51Å; E334-R338 IonicContact OE1-NE 2.85Å; E334-R338 IonicContact OE1-NH2 3.4Å; E334-R338 PolarHBondContact OE1-NH2 2.92Å; L335-R338 PolarHBondContact O-N 3.42Å; R338-M340 VanDerWaalsContact C-N 3.35Å; R338-E341 PolarHBondContact O-N 3.18Å; R338-R342 VanDerWaalsContact O-CB 3.27Å; R338-R342 WeakPolarHBondContact O-CB 3.43Å; R338-R342 VanDerWaalsContact O-CG 3.3Å; R338-R342 WeakPolarHBondContact O-CG 3.46Å; R338-R342 PolarHBondContact O-N 3.06Å
339	H	61.9	Low	59	Low	107 Å²	107	96 Å²	96	50%	0.495	45%	0.449	S	S	.	.	H	α-helix	trans	-66.7	-36.3	177.2	-74.4	-59.3	0	0	0	112.4	L335 E336 T337 G343 F344	L335-H339 WeakPolarHBondContact O-CB 3.31Å; L335-H339 PolarHBondContact O-CD2 3.01Å; L335-H339 PolarHBondContact O-N 3.23Å; E336-H339 PolarHBondContact O-N 3Å; T337-H339 VanDerWaalsContact C-N 3.31Å; T337-H339 PolarHBondContact O-N 3.38Å; H339-G343 PolarHBondContact O-N 2.89Å; H339-F344 PolarHBondContact O-N 3.4Å
340	M	61.8	Low	55.9	Low	118 Å²	118	100.7 Å²	100.7	58%	0.581	48%	0.482	S	S	*	.	H	α-helix	trans	-70.5	-39.9	176.4	-164.1	165.3	70.6	0	0	111.7	E336 T337 R338	E336-M340 WeakPolarHBondContact O-CB 2.85Å; E336-M340 PolarHBondContact O-N 3.49Å; T337-M340 PolarHBondContact O-N 3.3Å; R338-M340 VanDerWaalsContact C-N 3.35Å
341	E	57.2	Low	52.8	Low	138 Å²	138	105.3 Å²	105.3	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-68.2	-36.3	175.3	-71.5	170.5	-178	0	0	112.6	T337 R338 G343	T337-E341 HydrophobicContact CG2-CG 4.49Å; T337-E341 WeakPolarHBondContact CG2-OE1 3.46Å; T337-E341 WeakPolarHBondContact O-CG 3.45Å; T337-E341 PolarHBondContact O-N 2.94Å; R338-E341 PolarHBondContact O-N 3.18Å; E341-G343 VanDerWaalsContact C-N 3.33Å
342	R	47.5	Very low	50.2	Low	199 Å²	199	110.8 Å²	110.8	75%	0.751	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2.1	179.1	-69.1	-177.3	178.7	-176.7	-1.7	114.6	R338	R338-R342 VanDerWaalsContact O-CB 3.27Å; R338-R342 WeakPolarHBondContact O-CB 3.43Å; R338-R342 VanDerWaalsContact O-CG 3.3Å; R338-R342 WeakPolarHBondContact O-CG 3.46Å; R338-R342 PolarHBondContact O-N 3.06Å
343	G	34.8	Very low	47.4	Very low	44 Å²	44	116 Å²	116	45%	0.454	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	73.9	70.7	170.5	0	0	0	0	0	114.7	H339 E341	H339-G343 PolarHBondContact O-N 2.89Å; E341-G343 VanDerWaalsContact C-N 3.33Å
344	F	34.2	Very low	44.7	Very low	95 Å²	95	120 Å²	120	42%	0.417	58%	0.583	S	S	.	*	S	Bend	trans	-113	102.3	152.8	-125	-98.6	0	0	0	108.6	L222 N223 H339	L222-F344 HydrophobicContact CB-CE2 3.72Å; L222-F344 HydrophobicContact CB-CZ 3.4Å; L222-F344 HydrophobicContact CD1-CZ 3.97Å; L222-F344 HydrophobicContact CG-CZ 4.3Å; N223-F344 WeakPolarHBondContact OD1-CE2 3.16Å; H339-F344 PolarHBondContact O-N 3.4Å
345	V	28.5	Very low	41.9	Very low	98 Å²	98	126 Å²	126	59%	0.594	61%	0.608	S	S	*	*			trans	66.5	80.6	172.1	-162.4	0	0	0	0	115.1	Y347	V345-Y347 VanDerWaalsContact C-N 3.31Å; V345-Y347 HydrophobicContact CG1-CD2 3.37Å; V345-Y347 HydrophobicContact CG1-CE2 3.57Å; V345-Y347 HydrophobicContact CG1-CG 4.07Å; V345-Y347 PolarHBondContact O-N 3.41Å; V345-Y347 VanDerWaalsContact O-N 3.14Å
346	R	27.3	Very low	39.6	Very low	211 Å²	211	128 Å²	128	80%	0.796	63%	0.631	S	S	*	*			trans	-71.1	97.1	146.3	-148.9	175	-178.1	154.6	-3.2	105.4	L348	R346-L348 PolarHBondContact O-N 3.37Å
347	Y	25.4	Very low	37	Very low	203 Å²	203	129.5 Å²	129.5	80%	0.796	65%	0.645	S	S	*	*			trans	-53.5	133.7	165.1	-96.8	-88.8	0	0	0	106.9	V345 E349	V345-Y347 VanDerWaalsContact C-N 3.31Å; V345-Y347 HydrophobicContact CG1-CD2 3.37Å; V345-Y347 HydrophobicContact CG1-CE2 3.57Å; V345-Y347 HydrophobicContact CG1-CG 4.07Å; V345-Y347 PolarHBondContact O-N 3.41Å; V345-Y347 VanDerWaalsContact O-N 3.14Å; Y347-E349 PolarHBondContact O-N 3.2Å
348	L	25.4	Very low	34.5	Very low	177 Å²	177	137.2 Å²	137.2	93%	0.927	67%	0.67	S	S	*	*	S	Bend	trans	-53.3	85.5	175.4	-76.2	147.3	0	0	0	110.7	R346	R346-L348 PolarHBondContact O-N 3.37Å
349	E	23.2	Very low	32.9	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	69%	0.69	S	S	*	*			trans	-121.7	107.8	150.5	-78.3	-177	167.1	0	0	105.9	Y347 D351	Y347-E349 PolarHBondContact O-N 3.2Å; E349-D351 PolarHBondContact O-N 3.39Å
350	S	23.2	Very low	31.9	Very low	102 Å²	102	140 Å²	140	71%	0.713	69%	0.688	S	S	*	*			trans	-27.4	121	155.1	174.1	0	0	0	0	110.1
351	D	25.1	Very low	31.3	Very low	114 Å²	114	140.7 Å²	140.7	61%	0.61	69%	0.69	S	S	*	*				-178.9	131.3	121.6	-82.1	-15.7	0	0	0	111	E349	E349-D351 PolarHBondContact O-N 3.39Å
352	Y	29.2	Very low	31.2	Very low	202 Å²	202	135 Å²	135	79%	0.792	66%	0.664	S	S	*	*			trans	28.4	117.6	156.2	-67.7	-87.3	0	0	0	120.7
353	D	26	Very low	32.1	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	65%	0.651	S	S	*	*			trans	55.6	132.8	140.8	-77.2	-34.7	0	0	0	121.6
354	S	27.8	Very low	33.8	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	65%	0.648	S	S	*	*			trans	75.4	83.8	156.8	-154.9	0	0	0	0	117.5
355	F	23.2	Very low	35.2	Very low	184 Å²	184	129.1 Å²	129.1	81%	0.807	65%	0.647	S	S	*	*				164.2	89.4	126.1	-109	-100.2	0	0	0	106.6
356	A	25.3	Very low	37.1	Very low	83 Å²	83	125.8 Å²	125.8	69%	0.686	63%	0.626	S	S	*	*			trans	-66.2	136.8	162.1	0	0	0	0	0	107.6	Y358	A356-Y358 PolarHBondContact O-N 3.02Å
357	P	26.5	Very low	39.2	Very low	79 Å²	79	115.8 Å²	115.8	51%	0.513	59%	0.588	S	S	.	*			trans	-56.3	136.2	174.3	22.5	-30.3	0	0	0	109.1	R359	P357-R359 PolarHBondContact O-N 3.45Å
358	Y	25.3	Very low	41.3	Very low	203 Å²	203	107.1 Å²	107.1	80%	0.796	56%	0.555	S	S	*	*			trans	-51.8	99.5	-177.8	-164.7	-96.2	0	0	0	109.1	A356 A360 P375	A356-Y358 PolarHBondContact O-N 3.02Å; Y358-A360 PolarHBondContact O-N 2.83Å; Y358-A360 VanDerWaalsContact O-N 3.1Å; Y358-P375 HydrophobicContact CE1-CB 4.3Å
359	R	31.8	Very low	43.3	Very low	207 Å²	207	102.1 Å²	102.1	78%	0.781	53%	0.532	S	S	*	.			trans	-58.1	115.9	172.4	-75.6	179.4	176.7	172.9	-2.4	106.1	P357 E361	P357-R359 PolarHBondContact O-N 3.45Å; R359-E361 HydrophobicContact CB-CG 4.46Å; R359-E361 PolarHBondContact O-N 2.91Å
360	A	40.5	Very low	44.8	Very low	53 Å²	53	95.2 Å²	95.2	44%	0.438	51%	0.508	S	S	.	.			trans	-61.4	100	149.8	0	0	0	0	0	104.5	Y358 V362	Y358-A360 PolarHBondContact O-N 2.83Å; Y358-A360 VanDerWaalsContact O-N 3.1Å; A360-V362 PolarHBondContact O-N 3.32Å
361	E	50.3	Low	46.2	Very low	133 Å²	133	94.1 Å²	94.1	62%	0.621	50%	0.497	S	S	*	.			trans	-60.3	105	176.6	-71.6	-170.3	171.9	0	0	107	R359 H363	R359-E361 HydrophobicContact CB-CG 4.46Å; R359-E361 PolarHBondContact O-N 2.91Å; E361-H363 PolarHBondContact O-N 3.44Å; E361-H363 IonicContact OE2-CE1 3.48Å; E361-H363 PolarHBondContact OE2-CE1 3.3Å; E361-H363 IonicContact OE2-NE2 3.35Å
362	V	55.5	Low	47.1	Very low	19 Å²	19	90.2 Å²	90.2	12%	0.115	48%	0.477	C	S	.	.			trans	-72	101	176.9	180	0	0	0	0	106.9	W309 A360 I367	W309-V362 HydrophobicContact CH2-CG1 3.61Å; W309-V362 HydrophobicContact CH2-CG2 4.35Å; W309-V362 HydrophobicContact CZ3-CG1 3.91Å; A360-V362 PolarHBondContact O-N 3.32Å; V362-I367 HydrophobicContact CG1-CD1 3.42Å; V362-I367 VanDerWaalsContact CG1-CD1 3.42Å; V362-I367 HydrophobicContact CG1-CG1 3.65Å
363	H	66.4	Low	47.4	Very low	102 Å²	102	83.2 Å²	83.2	47%	0.472	46%	0.46	S	S	.	.			trans	-80	137	177.8	-67.5	-59.2	0	0	0	110.9	E361 G365 D366 I367	E361-H363 PolarHBondContact O-N 3.44Å; E361-H363 IonicContact OE2-CE1 3.48Å; E361-H363 PolarHBondContact OE2-CE1 3.3Å; E361-H363 IonicContact OE2-NE2 3.35Å; H363-G365 PolarHBondContact O-N 3.4Å; H363-G365 VanDerWaalsContact O-N 3.12Å; H363-D366 WeakPolarHBondContact O-CB 3.22Å; H363-D366 PolarHBondContact O-N 2.98Å; H363-I367 PolarHBondContact O-N 2.92Å
364	L	70.1	Confident	47.8	Very low	73 Å²	73	81.9 Å²	81.9	38%	0.382	45%	0.447	S	S	.	.	H	α-helix	trans	-54.8	-32.9	177	-167.8	148	0	0	0	112.2	T234 Y238 F368	T234-L364 HydrophobicContact CG2-CB 3.74Å; T234-L364 HydrophobicContact CG2-CD1 4.07Å; T234-L364 HydrophobicContact CG2-CG 4.08Å; Y238-L364 HydrophobicContact CD2-CD1 4.2Å; Y238-L364 HydrophobicContact CD2-CD2 4.26Å; L364-F368 HydrophobicContact CD1-CE2 4.45Å; L364-F368 HydrophobicContact CD2-CD2 3.53Å; L364-F368 HydrophobicContact CD2-CE2 3.76Å; L364-F368 HydrophobicContact CG-CD2 3.86Å; L364-F368 HydrophobicContact CG-CE2 3.78Å; L364-F368 VanDerWaalsContact O-CD2 3.28Å; L364-F368 WeakPolarHBondContact O-CD2 3.31Å; L364-F368 PolarHBondContact O-N 3.06Å
365	G	64.3	Low	47.9	Very low	39 Å²	39	80 Å²	80	40%	0.402	43%	0.433	S	S	.	.	H	α-helix	trans	-60.4	-43.7	173.5	0	0	0	0	0	113.1	H363 F368 T369	H363-G365 PolarHBondContact O-N 3.4Å; H363-G365 VanDerWaalsContact O-N 3.12Å; G365-F368 PolarHBondContact O-N 3.02Å; G365-T369 VanDerWaalsContact O-CB 3.22Å; G365-T369 WeakPolarHBondContact O-CB 3.33Å; G365-T369 WeakPolarHBondContact O-CG2 3.36Å; G365-T369 PolarHBondContact O-N 2.6Å; G365-T369 PolarHBondContact O-OG1 2.82Å
366	D	68.3	Low	48	Very low	29 Å²	29	75.8 Å²	75.8	16%	0.155	43%	0.427	C	S	.	.	H	α-helix	trans	-66.6	-45.9	-178.4	-64.5	-27.2	0	0	0	111.2	W309 H363 F368 T369 G370 V371	W309-D366 HydrophobicContact CZ2-CB 4.42Å; H363-D366 WeakPolarHBondContact O-CB 3.22Å; H363-D366 PolarHBondContact O-N 2.98Å; D366-F368 PolarHBondContact O-N 3.28Å; D366-T369 PolarHBondContact O-N 3.39Å; D366-T369 PolarHBondContact O-OG1 2.91Å; D366-G370 WeakPolarHBondContact O-CA 3.45Å; D366-G370 PolarHBondContact O-N 2.92Å; D366-V371 VanDerWaalsContact CB-O 3.31Å; D366-V371 WeakPolarHBondContact CB-O 3.06Å; D366-V371 PolarHBondContact O-N 2.74Å
367	I	70.5	Confident	48.4	Very low	0 Å²	0	77.1 Å²	77.1	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-55	-51.2	176.6	-69	172.3	0	0	0	111.1	T234 I235 A306 W309 V362 H363	T234-I367 HydrophobicContact CG2-CD1 3.7Å; I235-I367 HydrophobicContact CD1-CG2 4.39Å; I235-I367 HydrophobicContact CG1-CD1 4.4Å; I235-I367 HydrophobicContact CG1-CG2 4.15Å; A306-I367 HydrophobicContact CB-CG2 3.24Å; W309-I367 HydrophobicContact CD2-CG1 4.3Å; W309-I367 HydrophobicContact CE3-CB 4.5Å; W309-I367 HydrophobicContact CE3-CG1 3.8Å; W309-I367 HydrophobicContact CH2-CG1 4.25Å; W309-I367 HydrophobicContact CZ3-CG1 3.78Å; V362-I367 HydrophobicContact CG1-CD1 3.42Å; V362-I367 VanDerWaalsContact CG1-CD1 3.42Å; V362-I367 HydrophobicContact CG1-CG1 3.65Å; H363-I367 PolarHBondContact O-N 2.92Å
368	F	70.4	Confident	48.5	Very low	21 Å²	21	79.4 Å²	79.4	9%	0.092	43%	0.434	C	S	.	.	H	α-helix	trans	-86.4	-21.8	-173.8	-71.2	-63.6	0	0	0	113.8	Y238 K302 R305 A306 L364 G365 D366	Y238-F368 HydrophobicContact CD1-CE1 4.45Å; Y238-F368 HydrophobicContact CD1-CE2 4.06Å; Y238-F368 AromaticContact CD1-CZ 3.52Å; Y238-F368 HydrophobicContact CD1-CZ 3.52Å; Y238-F368 HydrophobicContact CD2-CD2 4.47Å; Y238-F368 AromaticContact CD2-CE2 3.57Å; Y238-F368 HydrophobicContact CD2-CE2 3.57Å; Y238-F368 AromaticContact CD2-CZ 3.9Å; Y238-F368 HydrophobicContact CD2-CZ 3.9Å; Y238-F368 HydrophobicContact CE1-CE1 4.39Å; Y238-F368 HydrophobicContact CE1-CE2 4.45Å; Y238-F368 AromaticContact CE1-CZ 3.82Å; Y238-F368 HydrophobicContact CE1-CZ 3.82Å; Y238-F368 AromaticContact CE2-CE2 3.95Å; Y238-F368 HydrophobicContact CE2-CE2 3.95Å; Y238-F368 HydrophobicContact CE2-CZ 4.13Å; Y238-F368 AromaticContact CG-CE2 3.6Å; Y238-F368 HydrophobicContact CG-CE2 3.6Å; Y238-F368 AromaticContact CG-CZ 3.56Å; Y238-F368 HydrophobicContact CG-CZ 3.56Å; K302-F368 HydrophobicContact CB-CD1 3.69Å; K302-F368 HydrophobicContact CB-CE1 3.65Å; K302-F368 HydrophobicContact CG-CD1 4.34Å; K302-F368 WeakPolarHBondContact O-CD1 3.27Å; K302-F368 WeakPolarHBondContact O-CE1 3.48Å; R305-F368 PolarHBondContact NE-O 3.36Å; R305-F368 PolarHBondContact NH1-O 3.24Å; R305-F368 PolarHBondContact NH2-O 2.89Å; R305-F368 VanDerWaalsContact NH2-O 3.07Å; A306-F368 HydrophobicContact CB-CD1 4.3Å; A306-F368 HydrophobicContact CB-CE1 3.97Å; L364-F368 HydrophobicContact CD1-CE2 4.45Å; L364-F368 HydrophobicContact CD2-CD2 3.53Å; L364-F368 HydrophobicContact CD2-CE2 3.76Å; L364-F368 HydrophobicContact CG-CD2 3.86Å; L364-F368 HydrophobicContact CG-CE2 3.78Å; L364-F368 VanDerWaalsContact O-CD2 3.28Å; L364-F368 WeakPolarHBondContact O-CD2 3.31Å; L364-F368 PolarHBondContact O-N 3.06Å; G365-F368 PolarHBondContact O-N 3.02Å; D366-F368 PolarHBondContact O-N 3.28Å
369	T	67.5	Low	48.5	Very low	73 Å²	73	76.3 Å²	76.3	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-80.3	-25.5	171.9	58.7	0	0	0	0	111.8	R305 G365 D366 V371	R305-T369 VanDerWaalsContact NH2-C 3.33Å; R305-T369 VanDerWaalsContact NH2-CA 3.34Å; R305-T369 PolarHBondContact NH2-O 3.39Å; G365-T369 VanDerWaalsContact O-CB 3.22Å; G365-T369 WeakPolarHBondContact O-CB 3.33Å; G365-T369 WeakPolarHBondContact O-CG2 3.36Å; G365-T369 PolarHBondContact O-N 2.6Å; G365-T369 PolarHBondContact O-OG1 2.82Å; D366-T369 PolarHBondContact O-N 3.39Å; D366-T369 PolarHBondContact O-OG1 2.91Å; T369-V371 VanDerWaalsContact C-N 3.29Å; T369-V371 WeakPolarHBondContact OG1-CG2 3.48Å; T369-V371 PolarHBondContact OG1-N 3Å
370	G	53.1	Low	48.3	Very low	30 Å²	30	73.7 Å²	73.7	31%	0.309	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	10.2	-172.8	0	0	0	0	0	112.9	D366	D366-G370 WeakPolarHBondContact O-CA 3.45Å; D366-G370 PolarHBondContact O-N 2.92Å
371	V	52.9	Low	47.7	Very low	79 Å²	79	77.7 Å²	77.7	48%	0.479	45%	0.446	S	S	.	.			trans	-80.3	120.4	174.3	-179.8	0	0	0	0	107.4	W309 D366 T369 A373	W309-V371 PolarHBondContact NE1-O 2.94Å; D366-V371 VanDerWaalsContact CB-O 3.31Å; D366-V371 WeakPolarHBondContact CB-O 3.06Å; D366-V371 PolarHBondContact O-N 2.74Å; T369-V371 VanDerWaalsContact C-N 3.29Å; T369-V371 WeakPolarHBondContact OG1-CG2 3.48Å; T369-V371 PolarHBondContact OG1-N 3Å; V371-A373 VanDerWaalsContact C-N 3.31Å; V371-A373 HydrophobicContact CG1-CB 4.49Å; V371-A373 PolarHBondContact O-N 3.3Å
372	V	43.8	Very low	46.5	Very low	32 Å²	32	80 Å²	80	19%	0.194	45%	0.454	C	S	.	.			trans	-83.7	87.4	165.9	-171.6	0	0	0	0	105.4	A313 F374	A313-V372 HydrophobicContact CB-CG2 4.42Å; V372-F374 HydrophobicContact CB-CE2 4.22Å; V372-F374 HydrophobicContact CG1-CD2 4.04Å; V372-F374 HydrophobicContact CG1-CE1 4.19Å; V372-F374 HydrophobicContact CG1-CE2 3.59Å; V372-F374 HydrophobicContact CG1-CZ 3.67Å; V372-F374 PolarHBondContact O-N 3.12Å; V372-F374 VanDerWaalsContact O-N 3.12Å
373	A	36	Very low	45	Very low	54 Å²	54	82.5 Å²	82.5	45%	0.446	48%	0.484	S	S	.	.			trans	-73.5	98.3	167.5	0	0	0	0	0	106.4	V371	V371-A373 VanDerWaalsContact C-N 3.31Å; V371-A373 HydrophobicContact CG1-CB 4.49Å; V371-A373 PolarHBondContact O-N 3.3Å
374	F	34.9	Very low	43.1	Very low	123 Å²	123	81.3 Å²	81.3	54%	0.539	50%	0.499	S	S	.	.			trans	-62.8	139	161.7	-67.9	-82.9	0	0	0	106.9	V372 S376	V372-F374 HydrophobicContact CB-CE2 4.22Å; V372-F374 HydrophobicContact CG1-CD2 4.04Å; V372-F374 HydrophobicContact CG1-CE1 4.19Å; V372-F374 HydrophobicContact CG1-CE2 3.59Å; V372-F374 HydrophobicContact CG1-CZ 3.67Å; V372-F374 PolarHBondContact O-N 3.12Å; V372-F374 VanDerWaalsContact O-N 3.12Å; F374-S376 PolarHBondContact O-N 2.85Å
375	P	30	Very low	41	Very low	63 Å²	63	84.1 Å²	84.1	41%	0.409	52%	0.515	S	S	.	.			trans	-50	122.3	162.3	21	-28.8	0	0	0	105.4	Y358 V377	Y358-P375 HydrophobicContact CE1-CB 4.3Å; P375-V377 PolarHBondContact O-N 2.66Å
376	S	25.4	Very low	39.4	Very low	97 Å²	97	90 Å²	90	68%	0.678	54%	0.537	S	S	*	.			trans	-53.1	104.2	169.4	52.9	0	0	0	0	104.7	F374 D378	F374-S376 PolarHBondContact O-N 2.85Å; S376-D378 PolarHBondContact O-N 3.15Å
377	V	32.7	Very low	37.5	Very low	110 Å²	110	91.5 Å²	91.5	67%	0.667	55%	0.55	S	S	*	.			trans	-52.4	110.5	156.7	176.6	0	0	0	0	101.8	P375 N379	P375-V377 PolarHBondContact O-N 2.66Å; V377-N379 PolarHBondContact O-N 3.5Å
378	D	28.2	Very low	36	Very low	128 Å²	128	98.4 Å²	98.4	68%	0.684	59%	0.585	S	S	*	*			trans	-42.2	117.5	176.8	-76.3	-42.9	0	0	0	106.2	S376 N380 N381	S376-D378 PolarHBondContact O-N 3.15Å; D378-N380 PolarHBondContact O-N 3.36Å; D378-N381 PolarHBondContact O-N 2.81Å
379	N	25.8	Very low	34.7	Very low	138 Å²	138	101.9 Å²	101.9	74%	0.738	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	23.1	-167.8	-125.9	-5.2	0	0	0	111.8	V377	V377-N379 PolarHBondContact O-N 3.5Å
380	N	28	Very low	33.5	Very low	152 Å²	152	102 Å²	102	81%	0.813	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-5.7	166.2	-79.6	-4.8	0	0	0	113.3	D378	D378-N380 PolarHBondContact O-N 3.36Å
381	N	28.1	Very low	33.3	Very low	136 Å²	136	108.9 Å²	108.9	73%	0.727	63%	0.626	S	S	*	*	S	Bend	trans	-99.8	69.4	159	-85.6	-4.8	0	0	0	110.4	D378 G383	D378-N381 PolarHBondContact O-N 2.81Å; N381-G383 PolarHBondContact O-N 3.28Å
382	K	25.7	Very low	33.8	Very low	181 Å²	181	108.1 Å²	108.1	79%	0.787	62%	0.623	S	S	*	*			trans	-52	125.1	162.1	-72.2	176.6	175.6	176.1	0	109.1
383	G	23.5	Very low	35.5	Very low	72 Å²	72	108.8 Å²	108.8	74%	0.742	63%	0.627	S	S	*	*			trans	72	65.1	157.8	0	0	0	0	0	116.2	N381 D385	N381-G383 PolarHBondContact O-N 3.28Å; G383-D385 PolarHBondContact O-N 3.05Å
384	G	25.8	Very low	37.8	Very low	77 Å²	77	108.3 Å²	108.3	79%	0.794	62%	0.617	S	S	*	*			trans	-73.1	61.3	152.6	0	0	0	0	0	110.1	N386	G384-N386 PolarHBondContact O-N 3.2Å
385	D	26.8	Very low	40.4	Very low	132 Å²	132	103.6 Å²	103.6	71%	0.706	60%	0.599	S	S	*	*			trans	-62.7	130.2	167.3	-156.3	1.6	0	0	0	106.8	G383 S387	G383-D385 PolarHBondContact O-N 3.05Å; D385-S387 PolarHBondContact O-N 2.89Å
386	N	30.5	Very low	43.2	Very low	164 Å²	164	100.7 Å²	100.7	88%	0.877	58%	0.58	S	S	*	*	S	Bend	trans	-67.3	24.9	-175.3	-86.8	-29	0	0	0	113.5	G384	G384-N386 PolarHBondContact O-N 3.2Å
387	S	29.1	Very low	46.3	Very low	59 Å²	59	97.4 Å²	97.4	41%	0.413	56%	0.556	S	S	.	*			trans	-90.5	98.8	166.5	64.8	0	0	0	0	109	D385 E389 P390	D385-S387 PolarHBondContact O-N 2.89Å; S387-E389 PolarHBondContact O-N 3.4Å; S387-P390 WeakPolarHBondContact O-CD 3.41Å
388	I	38.7	Very low	49	Very low	146 Å²	146	92.4 Å²	92.4	75%	0.749	53%	0.525	S	S	*	.			trans	-63.5	2.7	170.2	-68.7	169.2	0	0	0	111.8
389	E	42.3	Very low	52.1	Low	93 Å²	93	86.3 Å²	86.3	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-87	-30.7	-166.4	-67.9	-144.6	131.2	0	0	118.9	S387 F391 T393 H558 K562	S387-E389 PolarHBondContact O-N 3.4Å; E389-F391 PolarHBondContact O-N 3.04Å; E389-T393 PolarHBondContact O-OG1 3.18Å; E389-T393 VanDerWaalsContact O-OG1 3.13Å; E389-H558 IonicContact OE1-CE1 2.74Å; E389-H558 IonicContact OE2-CE1 3.6Å; E389-K562 IonicContact OE1-NZ 2.68Å; E389-K562 PolarHBondContact OE1-NZ 3.06Å
390	P	42.3	Very low	55.2	Low	77 Å²	77	80.1 Å²	80.1	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-70.1	-37	-172.4	23.3	-27.3	0	0	0	112.4	S387 C392 T393 L394	S387-P390 WeakPolarHBondContact O-CD 3.41Å; P390-C392 PolarHBondContact O-N 3.35Å; P390-T393 PolarHBondContact O-N 2.98Å; P390-L394 PolarHBondContact O-N 2.9Å
391	F	49.3	Very low	58.1	Low	173 Å²	173	74.9 Å²	74.9	76%	0.759	43%	0.431	S	S	*	.	H	α-helix	trans	-64.5	-38.8	-179	-84	-80.9	0	0	0	113.3	E389 T393 S395	E389-F391 PolarHBondContact O-N 3.04Å; F391-T393 VanDerWaalsContact C-N 3.34Å; F391-T393 PolarHBondContact O-N 3.2Å; F391-S395 PolarHBondContact O-N 3.42Å; F391-S395 PolarHBondContact O-OG 3.43Å
392	C	63.5	Low	61.1	Low	64 Å²	64	68.4 Å²	68.4	43%	0.432	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-37.7	179.3	-71	0	0	0	0	111.8	P390 V396	P390-C392 PolarHBondContact O-N 3.35Å; C392-V396 VanDerWaalsContact O-CG2 3.3Å; C392-V396 WeakPolarHBondContact O-CG2 3.24Å; C392-V396 PolarHBondContact O-N 2.93Å
393	T	78.3	Confident	64.2	Low	45 Å²	45	59.8 Å²	59.8	28%	0.276	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-41.8	-176.3	-48.8	0	0	0	0	111.1	E389 P390 F391 V396 V397	E389-T393 PolarHBondContact O-OG1 3.18Å; E389-T393 VanDerWaalsContact O-OG1 3.13Å; P390-T393 PolarHBondContact O-N 2.98Å; F391-T393 VanDerWaalsContact C-N 3.34Å; F391-T393 PolarHBondContact O-N 3.2Å; T393-V396 PolarHBondContact O-N 3.29Å; T393-V397 WeakPolarHBondContact O-CG2 3.28Å; T393-V397 PolarHBondContact O-N 3.38Å; T393-V397 VanDerWaalsContact O-N 3.13Å
394	L	85.4	Confident	67.3	Low	45 Å²	45	64.6 Å²	64.6	24%	0.236	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-44.1	178.6	-172.4	66	0	0	0	112.5	P390 V396 V397 H398 S518	P390-L394 PolarHBondContact O-N 2.9Å; L394-V396 PolarHBondContact O-N 3.31Å; L394-V397 WeakPolarHBondContact O-CB 3.26Å; L394-V397 PolarHBondContact O-N 3.36Å; L394-V397 VanDerWaalsContact O-N 3.07Å; L394-H398 WeakPolarHBondContact CD1-NE2 3.45Å; L394-H398 PolarHBondContact O-CD2 3.5Å; L394-H398 PolarHBondContact O-N 3.47Å; L394-S518 WeakPolarHBondContact CD2-OG 3.44Å
395	S	88.3	Confident	70.3	Confident	24 Å²	24	62.7 Å²	62.7	17%	0.168	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-36	175.6	-61.3	0	0	0	0	112.5	F391 H398 L399 A440	F391-S395 PolarHBondContact O-N 3.42Å; F391-S395 PolarHBondContact O-OG 3.43Å; S395-H398 PolarHBondContact O-N 3.48Å; S395-L399 WeakPolarHBondContact O-CB 3.45Å; S395-L399 PolarHBondContact O-N 3.41Å; S395-A440 WeakPolarHBondContact O-CB 3.46Å
396	V	90.5	Very high	73.2	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-66.5	-43.9	174.7	178.5	0	0	0	0	110.9	C392 T393 L394 H398 L399 T400 L443 S557 L560 G561	C392-V396 VanDerWaalsContact O-CG2 3.3Å; C392-V396 WeakPolarHBondContact O-CG2 3.24Å; C392-V396 PolarHBondContact O-N 2.93Å; T393-V396 PolarHBondContact O-N 3.29Å; L394-V396 PolarHBondContact O-N 3.31Å; V396-H398 VanDerWaalsContact C-N 3.32Å; V396-H398 PolarHBondContact O-N 2.89Å; V396-L399 WeakPolarHBondContact O-CB 3.34Å; V396-L399 PolarHBondContact O-N 3.39Å; V396-T400 WeakPolarHBondContact O-CG2 3.3Å; V396-T400 PolarHBondContact O-N 2.85Å; V396-L443 HydrophobicContact CB-CD2 4.43Å; V396-L443 HydrophobicContact CG2-CD2 3.46Å; V396-L443 VanDerWaalsContact CG2-CD2 3.46Å; V396-S557 VanDerWaalsContact CG1-O 3.31Å; V396-S557 WeakPolarHBondContact CG1-O 3.45Å; V396-L560 HydrophobicContact CG1-CB 4.07Å; V396-L560 HydrophobicContact CG1-CD2 3.75Å; V396-L560 HydrophobicContact CG1-CG 3.91Å; V396-G561 VanDerWaalsContact CG2-CA 3.49Å
397	V	89.7	Confident	76	Confident	29 Å²	29	53.4 Å²	53.4	18%	0.176	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-48.4	176.6	176.9	0	0	0	0	110.2	T393 L394 L399 T400 H401 L522	T393-V397 WeakPolarHBondContact O-CG2 3.28Å; T393-V397 PolarHBondContact O-N 3.38Å; T393-V397 VanDerWaalsContact O-N 3.13Å; L394-V397 WeakPolarHBondContact O-CB 3.26Å; L394-V397 PolarHBondContact O-N 3.36Å; L394-V397 VanDerWaalsContact O-N 3.07Å; V397-L399 VanDerWaalsContact C-N 3.32Å; V397-L399 PolarHBondContact O-N 3.09Å; V397-T400 PolarHBondContact O-N 2.82Å; V397-T400 VanDerWaalsContact O-N 3.16Å; V397-T400 PolarHBondContact O-OG1 3.42Å; V397-H401 PolarHBondContact O-N 3.1Å; V397-L522 HydrophobicContact CG1-CD1 4Å; V397-L522 HydrophobicContact CG1-CD2 3.43Å; V397-L522 VanDerWaalsContact CG1-CD2 3.43Å; V397-L522 HydrophobicContact CG1-CG 4.04Å
398	H	90.2	Very high	79	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-40.7	178.2	-66.7	-173.2	0	0	0	112.3	L394 S395 V396 T400 H401 I402 M436 A440 L521	L394-H398 WeakPolarHBondContact CD1-NE2 3.45Å; L394-H398 PolarHBondContact O-CD2 3.5Å; L394-H398 PolarHBondContact O-N 3.47Å; S395-H398 PolarHBondContact O-N 3.48Å; V396-H398 VanDerWaalsContact C-N 3.32Å; V396-H398 PolarHBondContact O-N 2.89Å; H398-T400 VanDerWaalsContact C-N 3.35Å; H398-T400 PolarHBondContact O-N 2.93Å; H398-H401 WeakPolarHBondContact O-CB 3.18Å; H398-H401 PolarHBondContact O-N 3.43Å; H398-H401 VanDerWaalsContact O-N 3.17Å; H398-I402 WeakPolarHBondContact O-CG1 3.35Å; H398-I402 PolarHBondContact O-N 2.93Å; H398-M436 PolarHBondContact CE1-SD 3.41Å; H398-A440 HydrophobicContact CB-CB 3.68Å; H398-L521 HydrophobicContact CB-CD1 4.25Å; H398-L521 HydrophobicContact CB-CD2 4.11Å
399	L	92.1	Very high	81.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-45.3	175.3	-179.7	70.1	0	0	0	111.3	S395 V396 V397 H401 I402 A403 F411 A440 L441 L444 L564	S395-L399 WeakPolarHBondContact O-CB 3.45Å; S395-L399 PolarHBondContact O-N 3.41Å; V396-L399 WeakPolarHBondContact O-CB 3.34Å; V396-L399 PolarHBondContact O-N 3.39Å; V397-L399 VanDerWaalsContact C-N 3.32Å; V397-L399 PolarHBondContact O-N 3.09Å; L399-H401 VanDerWaalsContact C-N 3.28Å; L399-H401 PolarHBondContact O-N 3.39Å; L399-I402 PolarHBondContact O-N 3.14Å; L399-A403 WeakPolarHBondContact O-CB 3.4Å; L399-A403 PolarHBondContact O-N 2.58Å; L399-F411 HydrophobicContact CD1-CE2 4.34Å; L399-F411 HydrophobicContact CD1-CZ 4.2Å; L399-A440 HydrophobicContact CB-CB 4.21Å; L399-L441 HydrophobicContact CD1-CD2 4.13Å; L399-L444 HydrophobicContact CD1-CD1 3.89Å; L399-L444 HydrophobicContact CD1-CG 4.47Å; L399-L444 HydrophobicContact CD2-CD1 4.1Å; L399-L444 HydrophobicContact CD2-CD2 3.82Å; L399-L444 HydrophobicContact CD2-CG 4.08Å; L399-L564 HydrophobicContact CD2-CD1 3.87Å
400	T	90.9	Very high	83.9	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-32.7	177	67.4	0	0	0	0	112.1	V396 V397 H398 A403 R404 L560	V396-T400 WeakPolarHBondContact O-CG2 3.3Å; V396-T400 PolarHBondContact O-N 2.85Å; V397-T400 PolarHBondContact O-N 2.82Å; V397-T400 VanDerWaalsContact O-N 3.16Å; V397-T400 PolarHBondContact O-OG1 3.42Å; H398-T400 VanDerWaalsContact C-N 3.35Å; H398-T400 PolarHBondContact O-N 2.93Å; T400-A403 PolarHBondContact O-N 3.4Å; T400-R404 WeakPolarHBondContact O-CG 3.38Å; T400-R404 PolarHBondContact O-N 2.98Å; T400-R404 PolarHBondContact OG1-NH1 3.28Å; T400-L560 HydrophobicContact CG2-CD2 3.53Å
401	H	88.9	Confident	86.5	Confident	42 Å²	42	46.4 Å²	46.4	19%	0.194	24%	0.24	C	C	.	.	H	α-helix	trans	-68.4	-45.4	175.9	-162.9	-94.5	0	0	0	111.5	V397 H398 L399 A403 R404 S405 L521 F526	V397-H401 PolarHBondContact O-N 3.1Å; H398-H401 WeakPolarHBondContact O-CB 3.18Å; H398-H401 PolarHBondContact O-N 3.43Å; H398-H401 VanDerWaalsContact O-N 3.17Å; L399-H401 VanDerWaalsContact C-N 3.28Å; L399-H401 PolarHBondContact O-N 3.39Å; H401-A403 VanDerWaalsContact C-N 3.28Å; H401-A403 PolarHBondContact O-N 3.23Å; H401-R404 PolarHBondContact O-N 3.36Å; H401-R404 VanDerWaalsContact O-N 3.13Å; H401-S405 WeakPolarHBondContact O-CB 3.43Å; H401-S405 PolarHBondContact O-N 3.11Å; H401-S405 PolarHBondContact O-OG 2.89Å; H401-L521 HydrophobicContact CB-CD2 3.84Å; H401-F526 AromaticContact CE1-CD1 3.77Å; H401-F526 AromaticContact CE1-CE1 3.26Å; H401-F526 WeakPolarHBondContact CE1-CE1 3.43Å; H401-F526 AromaticContact CE1-CZ 3.7Å; H401-F526 AromaticContact ND1-CD1 3.91Å; H401-F526 AromaticContact ND1-CE1 2.95Å; H401-F526 WeakPolarHBondContact ND1-CE1 3.37Å; H401-F526 AromaticContact ND1-CZ 3.04Å; H401-F526 WeakPolarHBondContact ND1-CZ 3.21Å
402	I	90.8	Very high	88.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-46.2	171.8	-66.7	165.9	0	0	0	110.2	H398 L399 R404 S405 L406 F411 L414 A437 A440 L488 F526	H398-I402 WeakPolarHBondContact O-CG1 3.35Å; H398-I402 PolarHBondContact O-N 2.93Å; L399-I402 PolarHBondContact O-N 3.14Å; I402-R404 VanDerWaalsContact C-N 3.33Å; I402-R404 PolarHBondContact O-N 3.05Å; I402-S405 WeakPolarHBondContact CA-OG 3.4Å; I402-S405 PolarHBondContact O-N 3.45Å; I402-S405 PolarHBondContact O-OG 2.9Å; I402-L406 HydrophobicContact CG2-CD1 3.97Å; I402-L406 PolarHBondContact O-N 3.3Å; I402-L406 VanDerWaalsContact O-N 3.09Å; I402-F411 HydrophobicContact CG2-CD2 4.5Å; I402-F411 HydrophobicContact CG2-CE2 4.42Å; I402-L414 HydrophobicContact CG2-CD2 4.24Å; I402-A437 HydrophobicContact CD1-CB 3.93Å; I402-A440 HydrophobicContact CD1-CB 4.06Å; I402-L488 HydrophobicContact CG2-CD2 4.17Å; I402-F526 HydrophobicContact CG1-CZ 4.4Å
403	A	91.3	Very high	90.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-35.4	178.3	0	0	0	0	0	113.6	L399 T400 H401 F411 V550 Y551	L399-A403 WeakPolarHBondContact O-CB 3.4Å; L399-A403 PolarHBondContact O-N 2.58Å; T400-A403 PolarHBondContact O-N 3.4Å; H401-A403 VanDerWaalsContact C-N 3.28Å; H401-A403 PolarHBondContact O-N 3.23Å; A403-F411 HydrophobicContact CB-CD1 3.83Å; A403-F411 HydrophobicContact CB-CD2 3.91Å; A403-F411 HydrophobicContact CB-CE1 3.65Å; A403-F411 HydrophobicContact CB-CE2 3.74Å; A403-F411 HydrophobicContact CB-CG 3.95Å; A403-F411 HydrophobicContact CB-CZ 3.62Å; A403-V550 HydrophobicContact CB-CG1 3.61Å; A403-Y551 PolarHBondContact O-OH 3.4Å
404	R	88.7	Confident	91	Very high	172 Å²	172	38.7 Å²	38.7	65%	0.649	19%	0.193	S	C	*	.	H	α-helix	trans	-75.6	-35.5	176.1	-71.3	-179	-166	101.6	0.5	112.7	T400 H401 I402 L406	T400-R404 WeakPolarHBondContact O-CG 3.38Å; T400-R404 PolarHBondContact O-N 2.98Å; T400-R404 PolarHBondContact OG1-NH1 3.28Å; H401-R404 PolarHBondContact O-N 3.36Å; H401-R404 VanDerWaalsContact O-N 3.13Å; I402-R404 VanDerWaalsContact C-N 3.33Å; I402-R404 PolarHBondContact O-N 3.05Å; R404-L406 VanDerWaalsContact C-N 3.32Å
405	S	87.9	Confident	91.5	Very high	37 Å²	37	36.5 Å²	36.5	26%	0.259	18%	0.182	S	C	.	.	H	α-helix	trans	-70.4	-28.1	179.3	70.4	0	0	0	0	113	H401 I402 F526 A528	H401-S405 WeakPolarHBondContact O-CB 3.43Å; H401-S405 PolarHBondContact O-N 3.11Å; H401-S405 PolarHBondContact O-OG 2.89Å; I402-S405 WeakPolarHBondContact CA-OG 3.4Å; I402-S405 PolarHBondContact O-N 3.45Å; I402-S405 PolarHBondContact O-OG 2.9Å; S405-F526 WeakPolarHBondContact OG-CE2 3.39Å; S405-A528 VanDerWaalsContact OG-CB 3.23Å; S405-A528 WeakPolarHBondContact OG-CB 3.4Å
406	L	89.5	Confident	91.8	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	18%	0.183	C	C	.	.	S	Bend	trans	-91.2	151.3	172.9	-69	171.4	0	0	0	110.6	I402 R404 F411 L414 L488 A528 L530	I402-L406 HydrophobicContact CG2-CD1 3.97Å; I402-L406 PolarHBondContact O-N 3.3Å; I402-L406 VanDerWaalsContact O-N 3.09Å; R404-L406 VanDerWaalsContact C-N 3.32Å; L406-F411 HydrophobicContact CB-CB 4.16Å; L406-F411 HydrophobicContact CD1-CB 4.38Å; L406-F411 HydrophobicContact CD1-CD2 4.15Å; L406-L414 HydrophobicContact CD1-CD2 3.85Å; L406-L488 HydrophobicContact CD1-CD1 3.98Å; L406-L488 HydrophobicContact CD2-CD1 4.16Å; L406-L488 HydrophobicContact CG-CD1 4.42Å; L406-A528 HydrophobicContact CD2-CB 3.52Å; L406-A528 WeakPolarHBondContact CD2-O 3.39Å; L406-A528 HydrophobicContact CG-CB 3.73Å; L406-L530 HydrophobicContact CD2-CB 4.32Å
407	N	88.8	Confident	92	Very high	92 Å²	92	37.5 Å²	37.5	49%	0.492	18%	0.182	S	C	.	.			trans	-69.5	158.3	165.7	70.3	47.1	0	0	0	110.8	S409 S410 F411	N407-S409 VanDerWaalsContact C-N 3.26Å; N407-S409 PolarHBondContact O-N 3.25Å; N407-S409 PolarHBondContact OD1-N 3.47Å; N407-S409 PolarHBondContact OD1-OG 3.29Å; N407-S410 PolarHBondContact ND2-OG 2.83Å; N407-S410 PolarHBondContact O-N 2.97Å; N407-S410 VanDerWaalsContact O-N 3.13Å; N407-S410 VanDerWaalsContact OD1-CB 3.32Å; N407-S410 WeakPolarHBondContact OD1-CB 3.44Å; N407-S410 PolarHBondContact OD1-N 3.14Å; N407-S410 PolarHBondContact OD1-OG 3.36Å; N407-F411 PolarHBondContact O-N 3.4Å
408	K	91.7	Very high	92.3	Very high	126 Å²	126	36.2 Å²	36.2	55%	0.548	17%	0.174	S	C	.	.	H	α-helix	trans	-56.1	-37.1	-175.8	-70.7	-171.1	176.6	-174.8	0	113.4	R412 M547 Y551	K408-R412 VanDerWaalsContact O-CB 3.32Å; K408-R412 WeakPolarHBondContact O-CB 3.43Å; K408-R412 PolarHBondContact O-N 3.48Å; K408-R412 VanDerWaalsContact O-N 3.08Å; K408-M547 HydrophobicContact CB-CE 4.22Å; K408-M547 WeakPolarHBondContact O-CE 3.37Å; K408-Y551 HydrophobicContact CG-CD1 4.47Å; K408-Y551 HydrophobicContact CG-CD2 4.49Å; K408-Y551 HydrophobicContact CG-CE1 4.08Å; K408-Y551 HydrophobicContact CG-CE2 4.07Å
409	S	92.2	Very high	92.6	Very high	77 Å²	77	36 Å²	36	54%	0.538	17%	0.173	S	C	.	.	H	α-helix	trans	-70	-41.6	178.9	42.2	0	0	0	0	112.5	N407 R412 L413	N407-S409 VanDerWaalsContact C-N 3.26Å; N407-S409 PolarHBondContact O-N 3.25Å; N407-S409 PolarHBondContact OD1-N 3.47Å; N407-S409 PolarHBondContact OD1-OG 3.29Å; S409-R412 PolarHBondContact O-N 2.94Å; S409-L413 WeakPolarHBondContact O-CB 3.17Å; S409-L413 PolarHBondContact O-N 3.35Å
410	S	92.7	Very high	92.7	Very high	25 Å²	25	37.2 Å²	37.2	18%	0.175	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-47.5	177.4	-64.7	0	0	0	0	110.2	N407 R412 L413 L414 L530	N407-S410 PolarHBondContact ND2-OG 2.83Å; N407-S410 PolarHBondContact O-N 2.97Å; N407-S410 VanDerWaalsContact O-N 3.13Å; N407-S410 VanDerWaalsContact OD1-CB 3.32Å; N407-S410 WeakPolarHBondContact OD1-CB 3.44Å; N407-S410 PolarHBondContact OD1-N 3.14Å; N407-S410 PolarHBondContact OD1-OG 3.36Å; S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.1Å; S410-L413 PolarHBondContact O-N 3.29Å; S410-L413 VanDerWaalsContact O-N 3.09Å; S410-L414 PolarHBondContact O-N 2.99Å; S410-L530 WeakPolarHBondContact O-CD2 3.35Å
411	F	94.9	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-40.7	177.5	-173.4	-113.9	0	0	0	112.2	L399 I402 A403 L406 N407 L413 L414 L415 M547 V550 Y551	L399-F411 HydrophobicContact CD1-CE2 4.34Å; L399-F411 HydrophobicContact CD1-CZ 4.2Å; I402-F411 HydrophobicContact CG2-CD2 4.5Å; I402-F411 HydrophobicContact CG2-CE2 4.42Å; A403-F411 HydrophobicContact CB-CD1 3.83Å; A403-F411 HydrophobicContact CB-CD2 3.91Å; A403-F411 HydrophobicContact CB-CE1 3.65Å; A403-F411 HydrophobicContact CB-CE2 3.74Å; A403-F411 HydrophobicContact CB-CG 3.95Å; A403-F411 HydrophobicContact CB-CZ 3.62Å; L406-F411 HydrophobicContact CB-CB 4.16Å; L406-F411 HydrophobicContact CD1-CB 4.38Å; L406-F411 HydrophobicContact CD1-CD2 4.15Å; N407-F411 PolarHBondContact O-N 3.4Å; F411-L413 VanDerWaalsContact C-N 3.31Å; F411-L413 PolarHBondContact O-N 3.04Å; F411-L414 HydrophobicContact CD2-CD2 4.26Å; F411-L414 WeakPolarHBondContact O-CB 3.47Å; F411-L414 PolarHBondContact O-N 3.16Å; F411-L415 HydrophobicContact CD1-CD1 3.98Å; F411-L415 HydrophobicContact CD1-CG 4.33Å; F411-L415 HydrophobicContact CE1-CD1 3.61Å; F411-L415 HydrophobicContact CE1-CD2 4.3Å; F411-L415 HydrophobicContact CE1-CG 4Å; F411-L415 HydrophobicContact CE2-CD2 4.41Å; F411-L415 HydrophobicContact CE2-CG 4.45Å; F411-L415 HydrophobicContact CZ-CD1 4.13Å; F411-L415 HydrophobicContact CZ-CD2 3.95Å; F411-L415 HydrophobicContact CZ-CG 4.06Å; F411-L415 WeakPolarHBondContact O-CG 3.39Å; F411-L415 PolarHBondContact O-N 2.83Å; F411-M547 HydrophobicContact CD1-SD 3.63Å; F411-M547 HydrophobicContact CE1-SD 4.24Å; F411-V550 HydrophobicContact CE1-CG1 4.25Å; F411-Y551 AromaticContact CD1-CE2 3.88Å; F411-Y551 HydrophobicContact CD1-CE2 3.88Å
412	R	95.2	Very high	92.9	Very high	91 Å²	91	37.3 Å²	37.3	34%	0.343	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-41.7	173.6	-173.2	179	-75.4	158	-3.8	112.4	K408 S409 S410 L415 Y416 Y539 V543 M547	K408-R412 VanDerWaalsContact O-CB 3.32Å; K408-R412 WeakPolarHBondContact O-CB 3.43Å; K408-R412 PolarHBondContact O-N 3.48Å; K408-R412 VanDerWaalsContact O-N 3.08Å; S409-R412 PolarHBondContact O-N 2.94Å; S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.1Å; R412-L415 PolarHBondContact O-N 2.91Å; R412-Y416 PolarHBondContact O-N 3.39Å; R412-Y416 VanDerWaalsContact O-N 3.07Å; R412-Y539 HydrophobicContact CG-CD1 3.81Å; R412-Y539 HydrophobicContact CG-CE1 3.69Å; R412-Y539 HydrophobicContact CG-CG 4.27Å; R412-V543 HydrophobicContact CG-CG1 3.71Å; R412-M547 HydrophobicContact CB-CE 3.97Å; R412-M547 HydrophobicContact CB-CG 4.33Å; R412-M547 HydrophobicContact CB-SD 3.81Å; R412-M547 HydrophobicContact CG-CG 4.24Å; R412-M547 HydrophobicContact CG-SD 4.37Å
413	L	94.9	Very high	93.1	Very high	28 Å²	28	37.4 Å²	37.4	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-39.6	178.7	-172	57.6	0	0	0	112.2	S409 S410 F411 Y416 H417 L530 A532	S409-L413 WeakPolarHBondContact O-CB 3.17Å; S409-L413 PolarHBondContact O-N 3.35Å; S410-L413 PolarHBondContact O-N 3.29Å; S410-L413 VanDerWaalsContact O-N 3.09Å; F411-L413 VanDerWaalsContact C-N 3.31Å; F411-L413 PolarHBondContact O-N 3.04Å; L413-Y416 HydrophobicContact CD1-CD1 4.34Å; L413-Y416 WeakPolarHBondContact O-CB 3.3Å; L413-Y416 PolarHBondContact O-N 2.87Å; L413-H417 PolarHBondContact O-CD2 2.87Å; L413-H417 PolarHBondContact O-N 3.42Å; L413-H417 VanDerWaalsContact O-N 3.13Å; L413-L530 HydrophobicContact CB-CD2 4.04Å; L413-L530 HydrophobicContact CD2-CD2 4.4Å; L413-L530 HydrophobicContact CG-CD2 4.3Å; L413-A532 HydrophobicContact CD2-CB 3.44Å; L413-A532 VanDerWaalsContact CD2-CB 3.44Å; L413-A532 HydrophobicContact CG-CB 3.91Å
414	L	95.5	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-49	171.7	174.3	61.6	0	0	0	111	I402 L406 S410 F411 Y416 H417 L418 T424 L441 V486 L488 L530	I402-L414 HydrophobicContact CG2-CD2 4.24Å; L406-L414 HydrophobicContact CD1-CD2 3.85Å; S410-L414 PolarHBondContact O-N 2.99Å; F411-L414 HydrophobicContact CD2-CD2 4.26Å; F411-L414 WeakPolarHBondContact O-CB 3.47Å; F411-L414 PolarHBondContact O-N 3.16Å; L414-Y416 VanDerWaalsContact C-N 3.31Å; L414-Y416 PolarHBondContact O-N 3.36Å; L414-H417 PolarHBondContact O-N 3.38Å; L414-L418 VanDerWaalsContact O-CB 3.29Å; L414-L418 WeakPolarHBondContact O-CB 3.43Å; L414-L418 PolarHBondContact O-N 3.26Å; L414-T424 HydrophobicContact CD1-CG2 3.93Å; L414-L441 HydrophobicContact CD2-CD2 4.07Å; L414-V486 HydrophobicContact CD1-CG1 3.96Å; L414-V486 HydrophobicContact CD1-CG2 4.4Å; L414-L488 HydrophobicContact CD2-CD2 4.28Å; L414-L530 HydrophobicContact CB-CD1 3.91Å; L414-L530 HydrophobicContact CB-CD2 4.04Å; L414-L530 HydrophobicContact CD1-CD1 3.95Å; L414-L530 HydrophobicContact CG-CD1 4.33Å
415	L	96.2	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-42.8	177.1	-72.2	178.3	0	0	0	112.1	F411 R412 L419 L444 V543 I546 M547	F411-L415 HydrophobicContact CD1-CD1 3.98Å; F411-L415 HydrophobicContact CD1-CG 4.33Å; F411-L415 HydrophobicContact CE1-CD1 3.61Å; F411-L415 HydrophobicContact CE1-CD2 4.3Å; F411-L415 HydrophobicContact CE1-CG 4Å; F411-L415 HydrophobicContact CE2-CD2 4.41Å; F411-L415 HydrophobicContact CE2-CG 4.45Å; F411-L415 HydrophobicContact CZ-CD1 4.13Å; F411-L415 HydrophobicContact CZ-CD2 3.95Å; F411-L415 HydrophobicContact CZ-CG 4.06Å; F411-L415 WeakPolarHBondContact O-CG 3.39Å; F411-L415 PolarHBondContact O-N 2.83Å; R412-L415 PolarHBondContact O-N 2.91Å; L415-L419 HydrophobicContact CB-CD1 4.4Å; L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.18Å; L415-L419 WeakPolarHBondContact O-CD1 3.27Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.12Å; L415-L444 HydrophobicContact CD2-CD1 3.41Å; L415-L444 VanDerWaalsContact CD2-CD1 3.41Å; L415-V543 HydrophobicContact CB-CG1 4.04Å; L415-V543 HydrophobicContact CB-CG2 4.45Å; L415-V543 HydrophobicContact CD1-CG1 4.42Å; L415-I546 HydrophobicContact CD1-CB 4.21Å; L415-I546 HydrophobicContact CD1-CG2 3.72Å; L415-I546 HydrophobicContact CD2-CG2 4.13Å; L415-M547 HydrophobicContact CD1-CG 4Å; L415-M547 HydrophobicContact CD1-SD 3.88Å
416	Y	95.5	Very high	94	Very high	46 Å²	46	27.4 Å²	27.4	18%	0.18	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-53.8	177.3	166.9	-102.2	0	0	0	112.2	R412 L413 L414 L418 L419 V420 P536 Y539 P540	R412-Y416 PolarHBondContact O-N 3.39Å; R412-Y416 VanDerWaalsContact O-N 3.07Å; L413-Y416 HydrophobicContact CD1-CD1 4.34Å; L413-Y416 WeakPolarHBondContact O-CB 3.3Å; L413-Y416 PolarHBondContact O-N 2.87Å; L414-Y416 VanDerWaalsContact C-N 3.31Å; L414-Y416 PolarHBondContact O-N 3.36Å; Y416-L418 VanDerWaalsContact C-N 3.35Å; Y416-L418 PolarHBondContact O-N 2.93Å; Y416-L419 PolarHBondContact O-N 2.84Å; Y416-V420 HydrophobicContact CD2-CG2 3.97Å; Y416-V420 HydrophobicContact CE2-CG2 3.76Å; Y416-V420 WeakPolarHBondContact O-CB 3.49Å; Y416-V420 WeakPolarHBondContact O-CG2 3.24Å; Y416-V420 PolarHBondContact O-N 3.33Å; Y416-V420 VanDerWaalsContact O-N 3.12Å; Y416-P536 HydrophobicContact CD1-CG 3.87Å; Y416-P536 HydrophobicContact CD2-CB 4.3Å; Y416-P536 HydrophobicContact CD2-CG 3.84Å; Y416-P536 HydrophobicContact CE1-CB 4.13Å; Y416-P536 HydrophobicContact CE1-CG 3.94Å; Y416-P536 HydrophobicContact CE2-CB 3.83Å; Y416-P536 HydrophobicContact CE2-CG 3.89Å; Y416-P536 HydrophobicContact CG-CG 3.82Å; Y416-Y539 HydrophobicContact CD2-CD1 4.49Å; Y416-Y539 HydrophobicContact CG-CD1 4.43Å; Y416-Y539 HydrophobicContact CG-CE1 4.38Å; Y416-P540 HydrophobicContact CD2-CG 4.29Å
417	H	94.1	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-42.7	-179	-80.8	-81.9	0	0	0	111.9	L413 L414 G421 N422 V486 S534	L413-H417 PolarHBondContact O-CD2 2.87Å; L413-H417 PolarHBondContact O-N 3.42Å; L413-H417 VanDerWaalsContact O-N 3.13Å; L414-H417 PolarHBondContact O-N 3.38Å; H417-G421 PolarHBondContact O-N 3.49Å; H417-N422 HydrophobicContact CB-CB 4.11Å; H417-N422 PolarHBondContact ND1-ND2 2.96Å; H417-N422 WeakPolarHBondContact O-CB 3.46Å; H417-N422 PolarHBondContact O-N 2.85Å; H417-V486 HydrophobicContact CB-CB 3.82Å; H417-V486 HydrophobicContact CB-CG1 3.61Å; H417-S534 PolarHBondContact NE2-O 2.92Å; H417-S534 VanDerWaalsContact NE2-O 3.13Å
418	L	95.8	Very high	94.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-58	-52.3	176.9	178.7	69.2	0	0	0	111.7	L414 Y416 G421 L441 L444 L445 L467	L414-L418 VanDerWaalsContact O-CB 3.29Å; L414-L418 WeakPolarHBondContact O-CB 3.43Å; L414-L418 PolarHBondContact O-N 3.26Å; Y416-L418 VanDerWaalsContact C-N 3.35Å; Y416-L418 PolarHBondContact O-N 2.93Å; L418-G421 PolarHBondContact O-N 3.17Å; L418-L441 HydrophobicContact CD1-CB 4.3Å; L418-L441 HydrophobicContact CD2-CB 4.05Å; L418-L441 HydrophobicContact CD2-CD2 4.17Å; L418-L444 HydrophobicContact CD2-CB 4.26Å; L418-L444 HydrophobicContact CD2-CD1 4.05Å; L418-L445 HydrophobicContact CD1-CD1 3.74Å; L418-L445 HydrophobicContact CD1-CG 4.29Å; L418-L445 HydrophobicContact CG-CD1 4.26Å; L418-L445 HydrophobicContact CG-CD2 4.43Å; L418-L445 HydrophobicContact CG-CG 4.3Å; L418-L467 HydrophobicContact CD1-CD2 3.58Å
419	L	96.7	Very high	94.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-76	-27.8	-169.9	-65.3	168.8	0	0	0	113.5	L415 Y416 G421 L444 L445 L542 V543 I546 L609 F612 W613	L415-L419 HydrophobicContact CB-CD1 4.4Å; L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.18Å; L415-L419 WeakPolarHBondContact O-CD1 3.27Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.12Å; Y416-L419 PolarHBondContact O-N 2.84Å; L419-G421 VanDerWaalsContact C-N 3.28Å; L419-L444 HydrophobicContact CD2-CB 4.24Å; L419-L445 HydrophobicContact CD2-CD2 4.14Å; L419-L542 HydrophobicContact CD1-CD2 4.14Å; L419-L542 HydrophobicContact CD1-CG 4.01Å; L419-L542 HydrophobicContact CD2-CD2 4.12Å; L419-V543 HydrophobicContact CD1-CG2 3.83Å; L419-I546 HydrophobicContact CD1-CD1 3.82Å; L419-I546 HydrophobicContact CD2-CD1 4.5Å; L419-L609 HydrophobicContact CB-CD1 3.84Å; L419-L609 HydrophobicContact CB-CG 4.33Å; L419-F612 WeakPolarHBondContact O-CD1 3.33Å; L419-W613 HydrophobicContact CD2-CZ2 3.94Å; L419-W613 PolarHBondContact O-NE1 3.42Å
420	V	94	Very high	94.1	Very high	25 Å²	25	20.6 Å²	20.6	15%	0.152	11%	0.11	C	C	.	.	H	α-helix	trans	-80.6	-11.3	175	176.8	0	0	0	0	112	Y416 L609 F612	Y416-V420 HydrophobicContact CD2-CG2 3.97Å; Y416-V420 HydrophobicContact CE2-CG2 3.76Å; Y416-V420 WeakPolarHBondContact O-CB 3.49Å; Y416-V420 WeakPolarHBondContact O-CG2 3.24Å; Y416-V420 PolarHBondContact O-N 3.33Å; Y416-V420 VanDerWaalsContact O-N 3.12Å; V420-L609 HydrophobicContact CG2-CB 4.2Å; V420-F612 VanDerWaalsContact O-CB 3.24Å; V420-F612 WeakPolarHBondContact O-CB 3.41Å; V420-F612 VanDerWaalsContact O-CG 3.32Å; V420-F612 WeakPolarHBondContact O-CG 3.46Å
421	G	93.1	Very high	94	Very high	19 Å²	19	21.7 Å²	21.7	20%	0.196	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	14.4	174.9	0	0	0	0	0	115	H417 L418 L419 F612	H417-G421 PolarHBondContact O-N 3.49Å; L418-G421 PolarHBondContact O-N 3.17Å; L419-G421 VanDerWaalsContact C-N 3.28Å; G421-F612 VanDerWaalsContact CA-CD1 3.46Å; G421-F612 VanDerWaalsContact CA-CZ 3.41Å
422	N	92.6	Very high	93.7	Very high	34 Å²	34	25.1 Å²	25.1	18%	0.182	14%	0.136	C	C	.	.			trans	-66.4	153.1	167.2	-66.6	-31.2	0	0	0	109.5	H417 T424 P484	H417-N422 HydrophobicContact CB-CB 4.11Å; H417-N422 PolarHBondContact ND1-ND2 2.96Å; H417-N422 WeakPolarHBondContact O-CB 3.46Å; H417-N422 PolarHBondContact O-N 2.85Å; N422-T424 PolarHBondContact O-N 2.97Å; N422-P484 WeakPolarHBondContact OD1-CG 3.48Å
423	Q	94.2	Very high	93.4	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.8	-178.4	-170.6	-178.2	53.5	0	0	110.2	V425 Y459 L460 C462 C465 N466 P484 Y485 V486	Q423-V425 HydrophobicContact CG-CG2 4.08Å; Q423-Y459 VanDerWaalsContact OE1-CZ 3.3Å; Q423-Y459 PolarHBondContact OE1-OH 2.58Å; Q423-L460 PolarHBondContact NE2-O 3.29Å; Q423-C462 HydrophobicContact CB-CB 4.02Å; Q423-C465 PolarHBondContact NE2-O 2.8Å; Q423-N466 CarbonylContact C-O 3.6Å; Q423-N466 WeakPolarHBondContact CA-O 3.39Å; Q423-P484 PolarHBondContact N-O 3.44Å; Q423-Y485 CarbonylContact O-C 3.59Å; Q423-Y485 WeakPolarHBondContact O-CA 3.36Å; Q423-Y485 WeakPolarHBondContact O-CB 3.35Å; Q423-V486 PolarHBondContact O-N 2.87Å
424	T	95.6	Very high	93.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.5	174.9	-56.4	0	0	0	0	108.6	L414 N422 L441 N466 L468 V486	L414-T424 HydrophobicContact CD1-CG2 3.93Å; N422-T424 PolarHBondContact O-N 2.97Å; T424-L441 HydrophobicContact CG2-CD1 3.88Å; T424-N466 PolarHBondContact N-O 2.99Å; T424-L468 PolarHBondContact O-N 2.91Å; T424-V486 HydrophobicContact CG2-CG1 3.97Å
425	V	95.2	Very high	93.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.7	-178.8	-175.4	0	0	0	0	108.5	Q423 Y459 L468 V470 L476 Y485 V486 L487 L488	Q423-V425 HydrophobicContact CG-CG2 4.08Å; V425-Y459 HydrophobicContact CG2-CE2 4.38Å; V425-L468 CarbonylContact C-O 3.58Å; V425-L468 VanDerWaalsContact CA-O 3.29Å; V425-L468 WeakPolarHBondContact CA-O 3.37Å; V425-L468 HydrophobicContact CG2-CB 4.4Å; V425-L468 HydrophobicContact CG2-CD2 4.41Å; V425-V470 HydrophobicContact CG1-CG2 3.69Å; V425-L476 HydrophobicContact CG1-CD2 4.27Å; V425-Y485 HydrophobicContact CB-CD2 4.36Å; V425-Y485 HydrophobicContact CG2-CD2 3.89Å; V425-Y485 HydrophobicContact CG2-CG 4.35Å; V425-V486 PolarHBondContact N-O 3.29Å; V425-L487 HydrophobicContact CB-CD1 4.08Å; V425-L487 HydrophobicContact CG1-CD1 3.89Å; V425-L487 CarbonylContact O-C 3.6Å; V425-L487 WeakPolarHBondContact O-CA 3.23Å; V425-L488 PolarHBondContact O-N 3.26Å
426	V	95.7	Very high	92.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.2	173.9	-179.2	0	0	0	0	108.7	V434 A437 L438 L441 L468 G469 V470 L488 I490	V426-V434 HydrophobicContact CB-CG1 4.2Å; V426-V434 HydrophobicContact CG1-CB 4.43Å; V426-V434 HydrophobicContact CG1-CG1 4.17Å; V426-V434 HydrophobicContact CG1-CG2 4.36Å; V426-A437 HydrophobicContact CG1-CB 4.05Å; V426-L438 HydrophobicContact CB-CD2 4.01Å; V426-L438 HydrophobicContact CB-CG 4.27Å; V426-L438 HydrophobicContact CG2-CD2 3.46Å; V426-L438 VanDerWaalsContact CG2-CD2 3.46Å; V426-L438 HydrophobicContact CG2-CG 4.03Å; V426-L441 HydrophobicContact CG2-CD1 4.31Å; V426-L468 PolarHBondContact N-O 2.94Å; V426-G469 WeakPolarHBondContact O-CA 3.45Å; V426-V470 PolarHBondContact O-N 3Å; V426-L488 CarbonylContact C-O 3.58Å; V426-L488 WeakPolarHBondContact CA-O 3.29Å; V426-L488 HydrophobicContact CG2-CB 4.35Å; V426-L488 HydrophobicContact CG2-CD2 4.27Å; V426-I490 HydrophobicContact CG1-CD1 3.89Å; V426-I490 HydrophobicContact CG1-CG1 4.42Å
427	R	93.7	Very high	92.7	Very high	41 Å²	41	23.1 Å²	23.1	16%	0.155	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.8	-178.1	-173.9	-171.9	-164	99.8	-3.4	110.4	V470 E472 V474 L487 L488 T489 I490	R427-V470 WeakPolarHBondContact CA-O 3.24Å; R427-V470 HydrophobicContact CB-CG2 4.02Å; R427-V470 HydrophobicContact CG-CG2 4.16Å; R427-E472 HydrophobicContact CG-CG 4.43Å; R427-E472 VanDerWaalsContact NH2-C 3.28Å; R427-E472 PolarHBondContact NH2-O 3.4Å; R427-V474 PolarHBondContact NH1-O 3.04Å; R427-V474 PolarHBondContact NH2-O 2.67Å; R427-L487 HydrophobicContact CB-CD1 3.82Å; R427-L488 PolarHBondContact N-O 3.31Å; R427-T489 WeakPolarHBondContact O-CA 3.42Å; R427-I490 PolarHBondContact O-N 2.75Å
428	S	92.3	Very high	92.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.			trans	-155	161	173.3	178.1	0	0	0	0	109.8	D430 V470 S471 E472 I490	S428-D430 VanDerWaalsContact C-N 3.27Å; S428-D430 PolarHBondContact OG-N 3.34Å; S428-D430 VanDerWaalsContact OG-N 3.13Å; S428-V470 PolarHBondContact N-O 3.47Å; S428-S471 WeakPolarHBondContact O-CA 3.47Å; S428-E472 PolarHBondContact O-N 3.14Å; S428-I490 PolarHBondContact OG-O 3.49Å
429	S	89.6	Confident	92.6	Very high	76 Å²	76	25.1 Å²	25.1	53%	0.531	14%	0.141	S	C	.	.	S	Bend	trans	-70.7	-23.8	167.6	28.6	0	0	0	0	112.5	E472	S429-E472 VanDerWaalsContact CB-OE1 3.24Å; S429-E472 WeakPolarHBondContact CB-OE1 3.49Å; S429-E472 PolarHBondContact N-OE1 3.19Å; S429-E472 VanDerWaalsContact N-OE1 3.07Å; S429-E472 PolarHBondContact OG-OE1 3.38Å
430	D	89	Confident	92.5	Very high	45 Å²	45	25.1 Å²	25.1	24%	0.241	14%	0.141	C	C	.	.			trans	-103.1	116.9	-179.3	-178.1	0.1	0	0	0	112	S428 D432 L433 V434	S428-D430 VanDerWaalsContact C-N 3.27Å; S428-D430 PolarHBondContact OG-N 3.34Å; S428-D430 VanDerWaalsContact OG-N 3.13Å; D430-D432 VanDerWaalsContact C-N 3.32Å; D430-D432 PolarHBondContact O-N 3.27Å; D430-D432 PolarHBondContact OD1-N 2.9Å; D430-L433 HydrophobicContact CB-CB 3.93Å; D430-L433 PolarHBondContact O-N 2.94Å; D430-V434 WeakPolarHBondContact O-CG2 3.34Å; D430-V434 PolarHBondContact O-N 3.49Å; D430-V434 VanDerWaalsContact O-N 3.16Å
431	S	90.2	Very high	92.6	Very high	47 Å²	47	24 Å²	24	33%	0.329	13%	0.134	S	C	.	.	H	α-helix	trans	-63.7	-32.3	178.6	-178.6	0	0	0	0	113.4	K435 F455	S431-K435 PolarHBondContact O-N 3.48Å; S431-K435 VanDerWaalsContact O-N 3.08Å; S431-F455 WeakPolarHBondContact OG-CD2 3.35Å; S431-F455 WeakPolarHBondContact OG-CG 3.22Å
432	D	89.1	Confident	92.7	Very high	73 Å²	73	27.3 Å²	27.3	39%	0.39	14%	0.143	S	C	.	.	H	α-helix	trans	-70.4	-41.9	179.7	-70.8	-31.8	0	0	0	110.1	D430 V434 K435 M436 R520	D430-D432 VanDerWaalsContact C-N 3.32Å; D430-D432 PolarHBondContact O-N 3.27Å; D430-D432 PolarHBondContact OD1-N 2.9Å; D432-V434 VanDerWaalsContact C-N 3.32Å; D432-V434 PolarHBondContact O-N 3.5Å; D432-K435 PolarHBondContact O-N 3.35Å; D432-M436 HydrophobicContact CB-CE 4.35Å; D432-M436 WeakPolarHBondContact O-CB 3.49Å; D432-M436 WeakPolarHBondContact O-CG 3.35Å; D432-M436 PolarHBondContact O-N 3.47Å; D432-R520 IonicContact OD2-NH1 2.76Å
433	L	88.7	Confident	92.7	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-40.5	176.3	-168.6	63.4	0	0	0	112	D430 M436 A437 I490 L521 F526	D430-L433 HydrophobicContact CB-CB 3.93Å; D430-L433 PolarHBondContact O-N 2.94Å; L433-M436 HydrophobicContact CD1-CE 4.26Å; L433-M436 PolarHBondContact O-N 3.29Å; L433-A437 WeakPolarHBondContact O-CB 3.29Å; L433-A437 PolarHBondContact O-N 3.1Å; L433-I490 HydrophobicContact CD1-CG2 4.47Å; L433-I490 HydrophobicContact CD2-CB 4.11Å; L433-I490 HydrophobicContact CD2-CG2 3.29Å; L433-I490 HydrophobicContact CG-CD1 4.4Å; L433-I490 HydrophobicContact CG-CG2 3.9Å; L433-L521 HydrophobicContact CD1-CB 4.25Å; L433-L521 HydrophobicContact CD1-CD1 3.7Å; L433-L521 HydrophobicContact CD1-CG 3.72Å; L433-F526 HydrophobicContact CD1-CD1 4.47Å
434	V	92.5	Very high	92.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-52	172.8	175.8	0	0	0	0	110.6	V426 D430 D432 M436 A437 L438 N454 F455	V426-V434 HydrophobicContact CB-CG1 4.2Å; V426-V434 HydrophobicContact CG1-CB 4.43Å; V426-V434 HydrophobicContact CG1-CG1 4.17Å; V426-V434 HydrophobicContact CG1-CG2 4.36Å; D430-V434 WeakPolarHBondContact O-CG2 3.34Å; D430-V434 PolarHBondContact O-N 3.49Å; D430-V434 VanDerWaalsContact O-N 3.16Å; D432-V434 VanDerWaalsContact C-N 3.32Å; D432-V434 PolarHBondContact O-N 3.5Å; V434-M436 PolarHBondContact O-N 3.04Å; V434-A437 PolarHBondContact O-N 3.36Å; V434-L438 HydrophobicContact CG1-CD1 3.86Å; V434-L438 HydrophobicContact CG1-CG 4.36Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 3.47Å; V434-N454 VanDerWaalsContact CG1-O 3.25Å; V434-N454 WeakPolarHBondContact CG1-O 3.42Å; V434-F455 HydrophobicContact CB-CD2 4.3Å; V434-F455 HydrophobicContact CG1-CD2 4.36Å; V434-F455 HydrophobicContact CG2-CD2 4.27Å; V434-F455 HydrophobicContact CG2-CE2 4.22Å
435	K	92.2	Very high	92.8	Very high	95 Å²	95	27.8 Å²	27.8	41%	0.413	15%	0.146	S	C	.	.	H	α-helix	trans	-59	-47.6	179.7	-178.3	-176.3	174	-170.9	0	111.6	S431 D432 A437 L438 D439 N454	S431-K435 PolarHBondContact O-N 3.48Å; S431-K435 VanDerWaalsContact O-N 3.08Å; D432-K435 PolarHBondContact O-N 3.35Å; K435-A437 VanDerWaalsContact C-N 3.32Å; K435-A437 PolarHBondContact O-N 2.9Å; K435-L438 PolarHBondContact O-N 2.82Å; K435-D439 WeakPolarHBondContact O-CB 3.43Å; K435-D439 VanDerWaalsContact O-CG 3.31Å; K435-D439 PolarHBondContact O-N 3.44Å; K435-N454 HydrophobicContact CG-CB 4.4Å
436	M	90.6	Very high	92.8	Very high	25 Å²	25	28 Å²	28	12%	0.123	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-40.2	178.8	-75.9	-171.6	-72.3	0	0	112.7	H398 D432 L433 V434 A440 R520 L521	H398-M436 PolarHBondContact CE1-SD 3.41Å; D432-M436 HydrophobicContact CB-CE 4.35Å; D432-M436 WeakPolarHBondContact O-CB 3.49Å; D432-M436 WeakPolarHBondContact O-CG 3.35Å; D432-M436 PolarHBondContact O-N 3.47Å; L433-M436 HydrophobicContact CD1-CE 4.26Å; L433-M436 PolarHBondContact O-N 3.29Å; V434-M436 PolarHBondContact O-N 3.04Å; M436-A440 WeakPolarHBondContact O-CB 3.23Å; M436-A440 PolarHBondContact O-N 2.9Å; M436-R520 HydrophobicContact CE-CB 4.26Å; M436-L521 HydrophobicContact CB-CD1 3.61Å; M436-L521 HydrophobicContact CE-CB 4.08Å; M436-L521 HydrophobicContact CE-CD1 4.47Å; M436-L521 HydrophobicContact SD-CB 4.02Å; M436-L521 HydrophobicContact SD-CD1 4.46Å
437	A	92.8	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70	-41.8	176.5	0	0	0	0	0	112.3	I402 V426 L433 V434 K435 A440 L441 I490	I402-A437 HydrophobicContact CD1-CB 3.93Å; V426-A437 HydrophobicContact CG1-CB 4.05Å; L433-A437 WeakPolarHBondContact O-CB 3.29Å; L433-A437 PolarHBondContact O-N 3.1Å; V434-A437 PolarHBondContact O-N 3.36Å; K435-A437 VanDerWaalsContact C-N 3.32Å; K435-A437 PolarHBondContact O-N 2.9Å; A437-A440 WeakPolarHBondContact O-CB 3.29Å; A437-A440 PolarHBondContact O-N 3.41Å; A437-L441 WeakPolarHBondContact O-CG 3.36Å; A437-L441 PolarHBondContact O-N 3.08Å; A437-I490 HydrophobicContact CB-CD1 3.58Å
438	L	95.3	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-44.2	175	-68	171.8	0	0	0	111.5	V426 V434 K435 A440 L441 K442 Q452 L467	V426-L438 HydrophobicContact CB-CD2 4.01Å; V426-L438 HydrophobicContact CB-CG 4.27Å; V426-L438 HydrophobicContact CG2-CD2 3.46Å; V426-L438 VanDerWaalsContact CG2-CD2 3.46Å; V426-L438 HydrophobicContact CG2-CG 4.03Å; V434-L438 HydrophobicContact CG1-CD1 3.86Å; V434-L438 HydrophobicContact CG1-CG 4.36Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 3.47Å; K435-L438 PolarHBondContact O-N 2.82Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 3.02Å; L438-L441 PolarHBondContact O-N 3.39Å; L438-K442 VanDerWaalsContact O-CB 3.25Å; L438-K442 WeakPolarHBondContact O-CB 3.35Å; L438-K442 PolarHBondContact O-N 3.02Å; L438-Q452 HydrophobicContact CB-CG 4.47Å; L438-Q452 HydrophobicContact CD1-CG 4.42Å; L438-L467 HydrophobicContact CD2-CB 4.12Å
439	D	92.6	Very high	92.8	Very high	44 Å²	44	32.2 Å²	32.2	24%	0.235	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-34.6	177.8	-72	-21.5	0	0	0	111.9	K435 Q452	K435-D439 WeakPolarHBondContact O-CB 3.43Å; K435-D439 VanDerWaalsContact O-CG 3.31Å; K435-D439 PolarHBondContact O-N 3.44Å; D439-Q452 PolarHBondContact OD1-NE2 3.45Å
440	A	93.5	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-44.4	172.9	0	0	0	0	0	112.6	S395 H398 L399 I402 M436 A437 L438 L443	S395-A440 WeakPolarHBondContact O-CB 3.46Å; H398-A440 HydrophobicContact CB-CB 3.68Å; L399-A440 HydrophobicContact CB-CB 4.21Å; I402-A440 HydrophobicContact CD1-CB 4.06Å; M436-A440 WeakPolarHBondContact O-CB 3.23Å; M436-A440 PolarHBondContact O-N 2.9Å; A437-A440 WeakPolarHBondContact O-CB 3.29Å; A437-A440 PolarHBondContact O-N 3.41Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 3.02Å; A440-L443 WeakPolarHBondContact O-CB 3.41Å; A440-L443 PolarHBondContact O-N 3.11Å
441	L	95.7	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70.4	-37.2	178.5	-64.5	175.1	0	0	0	111.9	L399 L414 L418 T424 V426 A437 L438 L443 L444 L488	L399-L441 HydrophobicContact CD1-CD2 4.13Å; L414-L441 HydrophobicContact CD2-CD2 4.07Å; L418-L441 HydrophobicContact CD1-CB 4.3Å; L418-L441 HydrophobicContact CD2-CB 4.05Å; L418-L441 HydrophobicContact CD2-CD2 4.17Å; T424-L441 HydrophobicContact CG2-CD1 3.88Å; V426-L441 HydrophobicContact CG2-CD1 4.31Å; A437-L441 WeakPolarHBondContact O-CG 3.36Å; A437-L441 PolarHBondContact O-N 3.08Å; L438-L441 PolarHBondContact O-N 3.39Å; L441-L443 PolarHBondContact O-N 3.46Å; L441-L444 PolarHBondContact O-N 3.41Å; L441-L444 VanDerWaalsContact O-N 3.12Å; L441-L488 HydrophobicContact CD1-CD2 4.37Å
442	K	95.2	Very high	93.4	Very high	89 Å²	89	32.7 Å²	32.7	39%	0.387	16%	0.157	S	C	.	.	H	α-helix	trans	-53.1	-34.8	175.7	176.4	-172.7	-172.4	172.6	0	112.7	L438 L444 L445 V450 L467	L438-K442 VanDerWaalsContact O-CB 3.25Å; L438-K442 WeakPolarHBondContact O-CB 3.35Å; L438-K442 PolarHBondContact O-N 3.02Å; K442-L444 PolarHBondContact O-N 2.98Å; K442-L444 VanDerWaalsContact O-N 3.09Å; K442-L445 PolarHBondContact O-N 2.66Å; K442-V450 HydrophobicContact CD-CG1 4.42Å; K442-V450 HydrophobicContact CG-CG1 4.11Å; K442-V450 HydrophobicContact CG-CG2 4.09Å; K442-L467 HydrophobicContact CB-CD1 4.16Å
443	L	93.2	Very high	93.7	Very high	38 Å²	38	31.3 Å²	31.3	20%	0.199	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.1	179.1	-175.8	72.8	0	0	0	113	V396 A440 L441 L445 L564	V396-L443 HydrophobicContact CB-CD2 4.43Å; V396-L443 HydrophobicContact CG2-CD2 3.46Å; V396-L443 VanDerWaalsContact CG2-CD2 3.46Å; A440-L443 WeakPolarHBondContact O-CB 3.41Å; A440-L443 PolarHBondContact O-N 3.11Å; L441-L443 PolarHBondContact O-N 3.46Å; L443-L445 VanDerWaalsContact C-N 3.33Å; L443-L564 HydrophobicContact CD2-CD1 4.29Å
444	L	96	Very high	94	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.1	-175	-59.6	179.7	0	0	0	113.8	L399 L415 L418 L419 L441 K442 I546 L564	L399-L444 HydrophobicContact CD1-CD1 3.89Å; L399-L444 HydrophobicContact CD1-CG 4.47Å; L399-L444 HydrophobicContact CD2-CD1 4.1Å; L399-L444 HydrophobicContact CD2-CD2 3.82Å; L399-L444 HydrophobicContact CD2-CG 4.08Å; L415-L444 HydrophobicContact CD2-CD1 3.41Å; L415-L444 VanDerWaalsContact CD2-CD1 3.41Å; L418-L444 HydrophobicContact CD2-CB 4.26Å; L418-L444 HydrophobicContact CD2-CD1 4.05Å; L419-L444 HydrophobicContact CD2-CB 4.24Å; L441-L444 PolarHBondContact O-N 3.41Å; L441-L444 VanDerWaalsContact O-N 3.12Å; K442-L444 PolarHBondContact O-N 2.98Å; K442-L444 VanDerWaalsContact O-N 3.09Å; L444-I546 HydrophobicContact CD2-CD1 4.38Å; L444-L564 HydrophobicContact CD2-CD1 4.11Å; L444-L564 HydrophobicContact CD2-CD2 3.99Å; L444-L564 HydrophobicContact CD2-CG 4.48Å
445	L	96.5	Very high	94	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	-105.4	148.3	-178.3	-67.2	176.7	0	0	0	111.7	L418 L419 K442 L443 V450 L467 K568 F612	L418-L445 HydrophobicContact CD1-CD1 3.74Å; L418-L445 HydrophobicContact CD1-CG 4.29Å; L418-L445 HydrophobicContact CG-CD1 4.26Å; L418-L445 HydrophobicContact CG-CD2 4.43Å; L418-L445 HydrophobicContact CG-CG 4.3Å; L419-L445 HydrophobicContact CD2-CD2 4.14Å; K442-L445 PolarHBondContact O-N 2.66Å; L443-L445 VanDerWaalsContact C-N 3.33Å; L445-V450 HydrophobicContact CB-CG2 3.74Å; L445-V450 HydrophobicContact CD1-CG2 4.15Å; L445-L467 HydrophobicContact CD1-CD2 4.46Å; L445-K568 WeakPolarHBondContact O-CD 3.48Å; L445-F612 HydrophobicContact CD2-CE1 4.34Å
446	P	95.5	Very high	94	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.026	17%	0.167	C	C	.	.			trans	-61.3	143.5	164.9	-18.3	31	0	0	0	110.4	G448 C449 V572 W613	P446-G448 VanDerWaalsContact C-N 3.27Å; P446-G448 PolarHBondContact O-N 3.45Å; P446-C449 WeakPolarHBondContact O-CB 3.31Å; P446-C449 PolarHBondContact O-N 3.36Å; P446-V572 HydrophobicContact CB-CG2 3.98Å; P446-V572 HydrophobicContact CG-CG2 3.67Å; P446-W613 HydrophobicContact CG-CD2 3.58Å; P446-W613 HydrophobicContact CG-CE3 3.33Å; P446-W613 HydrophobicContact CG-CG 4.21Å; P446-W613 HydrophobicContact CG-CH2 4.02Å; P446-W613 HydrophobicContact CG-CZ2 4.24Å; P446-W613 HydrophobicContact CG-CZ3 3.57Å
447	R	92.7	Very high	94.1	Very high	99 Å²	99	39.5 Å²	39.5	37%	0.374	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-54.9	-41.5	-174.7	-176.4	175.2	179.7	143.4	-0.9	112.5	D330 I333 E334 C449 V450	D330-R447 HydrophobicContact CB-CB 4.16Å; D330-R447 WeakPolarHBondContact OD1-CB 3.29Å; D330-R447 PolarHBondContact OD1-N 3Å; I333-R447 HydrophobicContact CG2-CG 4.17Å; E334-R447 VanDerWaalsContact CD-NH1 3.26Å; E334-R447 IonicContact OE2-NH1 3.55Å; E334-R447 PolarHBondContact OE2-NH1 3.23Å; R447-C449 PolarHBondContact O-N 3.05Å; R447-V450 PolarHBondContact O-N 3.27Å
448	G	92.2	Very high	94	Very high	29 Å²	29	45 Å²	45	30%	0.299	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-70.5	-12.4	179.2	0	0	0	0	0	114.9	P446 V450 G616	P446-G448 VanDerWaalsContact C-N 3.27Å; P446-G448 PolarHBondContact O-N 3.45Å; G448-V450 VanDerWaalsContact C-N 3.35Å; G448-G616 WeakPolarHBondContact CA-O 3.39Å; G448-G616 VanDerWaalsContact O-CA 3.29Å; G448-G616 WeakPolarHBondContact O-CA 3.41Å
449	C	95	Very high	93.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-88.5	-5.5	175.2	-61.5	0	0	0	0	112.5	P446 R447 N466 F612	P446-C449 WeakPolarHBondContact O-CB 3.31Å; P446-C449 PolarHBondContact O-N 3.36Å; R447-C449 PolarHBondContact O-N 3.05Å; C449-N466 PolarHBondContact O-ND2 3.3Å; C449-F612 HydrophobicContact CB-CE1 3.9Å; C449-F612 HydrophobicContact CB-CZ 3.82Å
450	V	94.9	Very high	93.9	Very high	27 Å²	27	45.7 Å²	45.7	16%	0.164	22%	0.223	C	C	.	.			trans	-99.9	121.8	-172.5	179.6	0	0	0	0	110.7	K442 L445 R447 G448 Q452 L467	K442-V450 HydrophobicContact CD-CG1 4.42Å; K442-V450 HydrophobicContact CG-CG1 4.11Å; K442-V450 HydrophobicContact CG-CG2 4.09Å; L445-V450 HydrophobicContact CB-CG2 3.74Å; L445-V450 HydrophobicContact CD1-CG2 4.15Å; R447-V450 PolarHBondContact O-N 3.27Å; G448-V450 VanDerWaalsContact C-N 3.35Å; V450-Q452 HydrophobicContact CG1-CB 3.93Å; V450-L467 HydrophobicContact CG1-CD1 3.96Å
451	R	93.7	Very high	93.7	Very high	109 Å²	109	49.4 Å²	49.4	41%	0.411	24%	0.241	S	C	.	.			trans	-124.9	97.4	164.7	-64.7	-174.7	-63.4	-78.8	0.1	106.9	C462 C465 N466 L467	R451-C462 PolarHBondContact NH2-O 3.41Å; R451-C465 HydrophobicContact CB-CB 4.47Å; R451-C465 CarbonylContact O-C 3.6Å; R451-C465 WeakPolarHBondContact O-CA 3.41Å; R451-C465 WeakPolarHBondContact O-CB 3.49Å; R451-N466 WeakPolarHBondContact CA-OD1 3.46Å; R451-N466 WeakPolarHBondContact CB-OD1 3.45Å; R451-N466 PolarHBondContact N-OD1 3.13Å; R451-N466 PolarHBondContact O-N 3.36Å; R451-N466 PolarHBondContact O-OD1 2.96Å; R451-L467 PolarHBondContact O-N 3.28Å; R451-L467 VanDerWaalsContact O-N 3.08Å
452	Q	94.8	Very high	93.4	Very high	43 Å²	43	51.7 Å²	51.7	20%	0.201	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.9	-171.2	178.7	175.2	-30.7	0	0	111.4	L438 D439 V450 N454 L467	L438-Q452 HydrophobicContact CB-CG 4.47Å; L438-Q452 HydrophobicContact CD1-CG 4.42Å; D439-Q452 PolarHBondContact OD1-NE2 3.45Å; V450-Q452 HydrophobicContact CG1-CB 3.93Å; Q452-N454 PolarHBondContact NE2-OD1 2.98Å; Q452-L467 WeakPolarHBondContact CA-O 3.39Å; Q452-L467 HydrophobicContact CB-CB 4.05Å; Q452-L467 HydrophobicContact CB-CD1 4.48Å; Q452-L467 HydrophobicContact CG-CB 4.14Å
453	V	95	Very high	93.1	Very high	44 Å²	44	55.4 Å²	55.4	27%	0.267	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.1	166.4	175.2	0	0	0	0	107.2	F455 L460 C465 L467 L468 G469	V453-F455 VanDerWaalsContact C-N 3.32Å; V453-F455 PolarHBondContact O-N 2.97Å; V453-L460 HydrophobicContact CB-CD1 4.34Å; V453-L460 HydrophobicContact CG1-CD1 4.08Å; V453-L460 HydrophobicContact CG2-CD1 3.96Å; V453-C465 HydrophobicContact CB-CB 4.47Å; V453-C465 HydrophobicContact CG2-CB 3.84Å; V453-L467 PolarHBondContact N-O 2.7Å; V453-L468 HydrophobicContact CB-CD1 4.06Å; V453-L468 HydrophobicContact CG1-CD1 4.16Å; V453-G469 PolarHBondContact O-N 2.98Å
454	N	93.8	Very high	92.9	Very high	68 Å²	68	59.5 Å²	59.5	36%	0.364	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-39.1	-172.1	-67.7	-20.6	0	0	0	112.7	V434 K435 Q452	V434-N454 VanDerWaalsContact CG1-O 3.25Å; V434-N454 WeakPolarHBondContact CG1-O 3.42Å; K435-N454 HydrophobicContact CG-CB 4.4Å; Q452-N454 PolarHBondContact NE2-OD1 2.98Å
455	F	92.8	Very high	92.8	Very high	65 Å²	65	59.2 Å²	59.2	29%	0.285	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	133.6	179.4	-159.6	-101.7	0	0	0	109.6	S431 V434 V453 L457 G469	S431-F455 WeakPolarHBondContact OG-CD2 3.35Å; S431-F455 WeakPolarHBondContact OG-CG 3.22Å; V434-F455 HydrophobicContact CB-CD2 4.3Å; V434-F455 HydrophobicContact CG1-CD2 4.36Å; V434-F455 HydrophobicContact CG2-CD2 4.27Å; V434-F455 HydrophobicContact CG2-CE2 4.22Å; V453-F455 VanDerWaalsContact C-N 3.32Å; V453-F455 PolarHBondContact O-N 2.97Å; F455-L457 HydrophobicContact CE1-CD2 4.05Å; F455-G469 CarbonylContact C-O 3.51Å; F455-G469 WeakPolarHBondContact CA-O 3.37Å
456	S	92.8	Very high	92.7	Very high	17 Å²	17	59.2 Å²	59.2	12%	0.119	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.1	177.2	-177.1	0	0	0	0	109.8	E458 G469	S456-E458 VanDerWaalsContact C-N 3.27Å; S456-E458 VanDerWaalsContact CB-O 3.29Å; S456-E458 WeakPolarHBondContact CB-O 3.45Å; S456-E458 PolarHBondContact OG-N 2.74Å; S456-E458 PolarHBondContact OG-O 2.68Å; S456-G469 PolarHBondContact N-O 3.16Å
457	L	91.6	Very high	92.8	Very high	143 Å²	143	59 Å²	59	75%	0.749	28%	0.278	S	S	*	.	S	Bend	trans	-84.9	-4.2	173.3	-60.3	178.1	0	0	0	112.5	F455 V474	F455-L457 HydrophobicContact CE1-CD2 4.05Å; L457-V474 WeakPolarHBondContact O-CG2 3.39Å
458	E	92	Very high	93	Very high	117 Å²	117	54.3 Å²	54.3	55%	0.547	26%	0.261	S	S	.	.	S	Bend	trans	-134.3	154.5	176.3	62.1	178.3	-165.8	0	0	111.2	S456 L460	S456-E458 VanDerWaalsContact C-N 3.27Å; S456-E458 VanDerWaalsContact CB-O 3.29Å; S456-E458 WeakPolarHBondContact CB-O 3.45Å; S456-E458 PolarHBondContact OG-N 2.74Å; S456-E458 PolarHBondContact OG-O 2.68Å; E458-L460 HydrophobicContact CG-CD2 4.06Å
459	Y	93	Very high	93.2	Very high	38 Å²	38	53 Å²	53	15%	0.149	25%	0.246	C	C	.	.			trans	-70	131.8	171.7	173.7	-98.6	0	0	0	109.8	Q423 V425 E461 L468 L476 P477 N483	Q423-Y459 VanDerWaalsContact OE1-CZ 3.3Å; Q423-Y459 PolarHBondContact OE1-OH 2.58Å; V425-Y459 HydrophobicContact CG2-CE2 4.38Å; Y459-E461 HydrophobicContact CE1-CG 4.21Å; Y459-L468 HydrophobicContact CD2-CD2 3.85Å; Y459-L468 HydrophobicContact CE2-CD2 4.15Å; Y459-L476 HydrophobicContact CD2-CD2 3.68Å; Y459-L476 HydrophobicContact CE2-CD2 4.46Å; Y459-L476 HydrophobicContact CG-CD2 4.39Å; Y459-P477 HydrophobicContact CD1-CG 3.82Å; Y459-P477 HydrophobicContact CD2-CG 4.44Å; Y459-P477 HydrophobicContact CE1-CG 3.55Å; Y459-P477 HydrophobicContact CE2-CG 4.22Å; Y459-P477 HydrophobicContact CG-CG 4.26Å; Y459-N483 PolarHBondContact OH-ND2 3.38Å
460	L	92.6	Very high	93.2	Very high	19 Å²	19	52.9 Å²	52.9	10%	0.099	25%	0.246	C	C	.	.			trans	-111.3	137.7	175.4	-59.5	177.8	0	0	0	109.1	Q423 V453 E458 R464 L468	Q423-L460 PolarHBondContact NE2-O 3.29Å; V453-L460 HydrophobicContact CB-CD1 4.34Å; V453-L460 HydrophobicContact CG1-CD1 4.08Å; V453-L460 HydrophobicContact CG2-CD1 3.96Å; E458-L460 HydrophobicContact CG-CD2 4.06Å; L460-R464 HydrophobicContact CB-CB 4.38Å; L460-L468 HydrophobicContact CB-CD1 4.24Å; L460-L468 HydrophobicContact CB-CD2 4.27Å; L460-L468 HydrophobicContact CD1-CD1 4.1Å; L460-L468 HydrophobicContact CG-CD1 4.26Å
461	E	89.7	Confident	93.1	Very high	79 Å²	79	52.2 Å²	52.2	37%	0.369	24%	0.243	S	C	.	.			trans	-73.5	162.5	-179.2	-52.2	103.7	155.2	0	0	112.8	Y459 W463 R464 C465	Y459-E461 HydrophobicContact CE1-CG 4.21Å; E461-W463 PolarHBondContact O-N 2.84Å; E461-W463 VanDerWaalsContact O-N 3.1Å; E461-W463 PolarHBondContact OE2-NE1 3.08Å; E461-R464 WeakPolarHBondContact O-CB 3.38Å; E461-R464 PolarHBondContact O-N 3.04Å; E461-C465 PolarHBondContact O-N 3.18Å
462	C	89.2	Confident	92.9	Very high	48 Å²	48	51.5 Å²	51.5	32%	0.324	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.1	-172.7	64.5	0	0	0	0	115.1	Q423 R451 R464 C465	Q423-C462 HydrophobicContact CB-CB 4.02Å; R451-C462 PolarHBondContact NH2-O 3.41Å; C462-R464 VanDerWaalsContact C-N 3.34Å; C462-C465 WeakPolarHBondContact CA-O 3.28Å; C462-C465 CarbonylContact O-C 3.59Å
463	W	88.1	Confident	92.7	Very high	166 Å²	166	54.4 Å²	54.4	63%	0.629	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-29.4	175.3	65	-95.1	0	0	0	112.1	E461	E461-W463 PolarHBondContact O-N 2.84Å; E461-W463 VanDerWaalsContact O-N 3.1Å; E461-W463 PolarHBondContact OE2-NE1 3.08Å
464	R	90	Very high	92.5	Very high	124 Å²	124	52.4 Å²	52.4	47%	0.468	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-47.6	173.2	-68.9	-174	164.8	170.3	-3.3	111.6	L460 E461 C462	L460-R464 HydrophobicContact CB-CB 4.38Å; E461-R464 WeakPolarHBondContact O-CB 3.38Å; E461-R464 PolarHBondContact O-N 3.04Å; C462-R464 VanDerWaalsContact C-N 3.34Å
465	C	93.3	Very high	92.4	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	27%	0.273	C	S	.	.			trans	-151.2	139.5	-179.3	57.4	0	0	0	0	111.9	Q423 R451 V453 E461 C462	Q423-C465 PolarHBondContact NE2-O 2.8Å; R451-C465 HydrophobicContact CB-CB 4.47Å; R451-C465 CarbonylContact O-C 3.6Å; R451-C465 WeakPolarHBondContact O-CA 3.41Å; R451-C465 WeakPolarHBondContact O-CB 3.49Å; V453-C465 HydrophobicContact CB-CB 4.47Å; V453-C465 HydrophobicContact CG2-CB 3.84Å; E461-C465 PolarHBondContact O-N 3.18Å; C462-C465 WeakPolarHBondContact CA-O 3.28Å; C462-C465 CarbonylContact O-C 3.59Å
466	N	93.8	Very high	92.2	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	27%	0.27	C	S	.	.	S	Bend	trans	-92.3	-19.2	170.8	64.3	-40.9	0	0	0	112.3	Q423 T424 C449 R451	Q423-N466 CarbonylContact C-O 3.6Å; Q423-N466 WeakPolarHBondContact CA-O 3.39Å; T424-N466 PolarHBondContact N-O 2.99Å; C449-N466 PolarHBondContact O-ND2 3.3Å; R451-N466 WeakPolarHBondContact CA-OD1 3.46Å; R451-N466 WeakPolarHBondContact CB-OD1 3.45Å; R451-N466 PolarHBondContact N-OD1 3.13Å; R451-N466 PolarHBondContact O-N 3.36Å; R451-N466 PolarHBondContact O-OD1 2.96Å
467	L	97.3	Very high	91.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	115.8	171.9	-59.7	-172.5	0	0	0	108.7	L418 L438 K442 L445 V450 R451 Q452 V453	L418-L467 HydrophobicContact CD1-CD2 3.58Å; L438-L467 HydrophobicContact CD2-CB 4.12Å; K442-L467 HydrophobicContact CB-CD1 4.16Å; L445-L467 HydrophobicContact CD1-CD2 4.46Å; V450-L467 HydrophobicContact CG1-CD1 3.96Å; R451-L467 PolarHBondContact O-N 3.28Å; R451-L467 VanDerWaalsContact O-N 3.08Å; Q452-L467 WeakPolarHBondContact CA-O 3.39Å; Q452-L467 HydrophobicContact CB-CB 4.05Å; Q452-L467 HydrophobicContact CB-CD1 4.48Å; Q452-L467 HydrophobicContact CG-CB 4.14Å; V453-L467 PolarHBondContact N-O 2.7Å
468	L	96.8	Very high	91.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.9	-173.9	176.6	62.1	0	0	0	111.3	T424 V425 V426 V453 Y459 L460 V470	T424-L468 PolarHBondContact O-N 2.91Å; V425-L468 CarbonylContact C-O 3.58Å; V425-L468 VanDerWaalsContact CA-O 3.29Å; V425-L468 WeakPolarHBondContact CA-O 3.37Å; V425-L468 HydrophobicContact CG2-CB 4.4Å; V425-L468 HydrophobicContact CG2-CD2 4.41Å; V426-L468 PolarHBondContact N-O 2.94Å; V453-L468 HydrophobicContact CB-CD1 4.06Å; V453-L468 HydrophobicContact CG1-CD1 4.16Å; Y459-L468 HydrophobicContact CD2-CD2 3.85Å; Y459-L468 HydrophobicContact CE2-CD2 4.15Å; L460-L468 HydrophobicContact CB-CD1 4.24Å; L460-L468 HydrophobicContact CB-CD2 4.27Å; L460-L468 HydrophobicContact CD1-CD1 4.1Å; L460-L468 HydrophobicContact CG-CD1 4.26Å; L468-V470 HydrophobicContact CD1-CG1 4.26Å; L468-V470 HydrophobicContact CD2-CG1 3.99Å; L468-V470 HydrophobicContact CG-CG1 3.91Å
469	G	96.7	Very high	90.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.8	168.7	0	0	0	0	0	112.3	V426 V453 F455 S456	V426-G469 WeakPolarHBondContact O-CA 3.45Å; V453-G469 PolarHBondContact O-N 2.98Å; F455-G469 CarbonylContact C-O 3.51Å; F455-G469 WeakPolarHBondContact CA-O 3.37Å; S456-G469 PolarHBondContact N-O 3.16Å
470	V	95.7	Very high	89.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156	177.8	-68.4	0	0	0	0	112.1	V425 V426 R427 S428 L468 V474	V425-V470 HydrophobicContact CG1-CG2 3.69Å; V426-V470 PolarHBondContact O-N 3Å; R427-V470 WeakPolarHBondContact CA-O 3.24Å; R427-V470 HydrophobicContact CB-CG2 4.02Å; R427-V470 HydrophobicContact CG-CG2 4.16Å; S428-V470 PolarHBondContact N-O 3.47Å; L468-V470 HydrophobicContact CD1-CG1 4.26Å; L468-V470 HydrophobicContact CD2-CG1 3.99Å; L468-V470 HydrophobicContact CG-CG1 3.91Å; V470-V474 HydrophobicContact CB-CB 4.09Å; V470-V474 HydrophobicContact CB-CG1 4.45Å; V470-V474 HydrophobicContact CB-CG2 3.94Å; V470-V474 HydrophobicContact CG1-CB 4.41Å; V470-V474 HydrophobicContact CG1-CG1 4.24Å; V470-V474 HydrophobicContact CG1-CG2 4.33Å
471	S	93.6	Very high	88.5	Confident	13 Å²	13	59.2 Å²	59.2	9%	0.091	32%	0.315	C	S	.	.			trans	-74.8	164.9	171	75.6	0	0	0	0	112.5	S428 S473 V474	S428-S471 WeakPolarHBondContact O-CA 3.47Å; S471-S473 PolarHBondContact O-N 3.38Å; S471-S473 PolarHBondContact OG-N 3.01Å; S471-S473 PolarHBondContact OG-OG 2.89Å; S471-V474 PolarHBondContact O-N 3.4Å; S471-V474 WeakPolarHBondContact OG-CG2 3.46Å
472	E	89.2	Confident	87.7	Confident	94 Å²	94	64.1 Å²	64.1	44%	0.439	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.7	172.3	-78.9	176.1	-148	0	0	114.9	R427 S428 S429	R427-E472 HydrophobicContact CG-CG 4.43Å; R427-E472 VanDerWaalsContact NH2-C 3.28Å; R427-E472 PolarHBondContact NH2-O 3.4Å; S428-E472 PolarHBondContact O-N 3.14Å; S429-E472 VanDerWaalsContact CB-OE1 3.24Å; S429-E472 WeakPolarHBondContact CB-OE1 3.49Å; S429-E472 PolarHBondContact N-OE1 3.19Å; S429-E472 VanDerWaalsContact N-OE1 3.07Å; S429-E472 PolarHBondContact OG-OE1 3.38Å
473	S	89.2	Confident	87	Confident	103 Å²	103	63.3 Å²	63.3	72%	0.72	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-14.7	179.2	56.7	0	0	0	0	114	S471 P475	S471-S473 PolarHBondContact O-N 3.38Å; S471-S473 PolarHBondContact OG-N 3.01Å; S471-S473 PolarHBondContact OG-OG 2.89Å; S473-P475 WeakPolarHBondContact O-CD 3.32Å
474	V	92.2	Very high	86.8	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	31%	0.31	C	S	.	.	S	Bend	trans	-71.9	122.5	-175.2	-176.9	0	0	0	0	111.1	R427 L457 V470 S471	R427-V474 PolarHBondContact NH1-O 3.04Å; R427-V474 PolarHBondContact NH2-O 2.67Å; L457-V474 WeakPolarHBondContact O-CG2 3.39Å; V470-V474 HydrophobicContact CB-CB 4.09Å; V470-V474 HydrophobicContact CB-CG1 4.45Å; V470-V474 HydrophobicContact CB-CG2 3.94Å; V470-V474 HydrophobicContact CG1-CB 4.41Å; V470-V474 HydrophobicContact CG1-CG1 4.24Å; V470-V474 HydrophobicContact CG1-CG2 4.33Å; S471-V474 PolarHBondContact O-N 3.4Å; S471-V474 WeakPolarHBondContact OG-CG2 3.46Å
475	P	90.8	Very high	86.7	Confident	109 Å²	109	52.2 Å²	52.2	71%	0.708	29%	0.292	S	S	*	.			trans	-68.3	134.6	172.8	28.4	-33.1	0	0	0	110.3	S473	S473-P475 WeakPolarHBondContact O-CD 3.32Å
476	L	88.4	Confident	86.6	Confident	42 Å²	42	52.1 Å²	52.1	22%	0.22	29%	0.292	C	S	.	.			trans	-105.6	139	177.7	-65.1	173.7	0	0	0	110.2	V425 Y459 Y485 L487	V425-L476 HydrophobicContact CG1-CD2 4.27Å; Y459-L476 HydrophobicContact CD2-CD2 3.68Å; Y459-L476 HydrophobicContact CE2-CD2 4.46Å; Y459-L476 HydrophobicContact CG-CD2 4.39Å; L476-Y485 HydrophobicContact CD1-CE2 4.41Å; L476-L487 HydrophobicContact CD1-CD1 3.62Å; L476-L487 HydrophobicContact CD1-CD2 3.64Å; L476-L487 HydrophobicContact CD1-CG 4.24Å
477	P	85.7	Confident	86.6	Confident	49 Å²	49	52.8 Å²	52.8	32%	0.318	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-65.6	155.8	174.9	29.2	-34.8	0	0	0	110.8	Y459 A479 Y485	Y459-P477 HydrophobicContact CD1-CG 3.82Å; Y459-P477 HydrophobicContact CD2-CG 4.44Å; Y459-P477 HydrophobicContact CE1-CG 3.55Å; Y459-P477 HydrophobicContact CE2-CG 4.22Å; Y459-P477 HydrophobicContact CG-CG 4.26Å; P477-A479 PolarHBondContact O-N 2.76Å; P477-Y485 WeakPolarHBondContact O-CE1 3.24Å; P477-Y485 PolarHBondContact O-OH 3.48Å
478	L	80.3	Confident	86.4	Confident	164 Å²	164	52.8 Å²	52.8	86%	0.859	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-62.9	126.8	168.7	-73.8	160.3	0	0	0	108.8	T480	L478-T480 PolarHBondContact O-N 3.36Å
479	A	75.8	Confident	86.2	Confident	28 Å²	28	53.5 Å²	53.5	23%	0.231	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-61.4	129.8	175.7	0	0	0	0	0	109.9	P477 Y485 F533	P477-A479 PolarHBondContact O-N 2.76Å; A479-Y485 HydrophobicContact CB-CD1 3.85Å; A479-Y485 HydrophobicContact CB-CE1 3.58Å; A479-F533 HydrophobicContact CB-CB 3.83Å; A479-F533 HydrophobicContact CB-CD2 3.76Å; A479-F533 HydrophobicContact CB-CG 4.15Å; A479-F533 WeakPolarHBondContact O-CD2 3.38Å; A479-F533 WeakPolarHBondContact O-CE2 3.14Å
480	T	73.6	Confident	85.9	Confident	65 Å²	65	53.5 Å²	53.5	40%	0.399	30%	0.3	S	S	.	.			trans	-119.9	168	178	62.1	0	0	0	0	110.1	L478 E482 N483	L478-T480 PolarHBondContact O-N 3.36Å; T480-E482 PolarHBondContact O-N 2.9Å; T480-N483 CarbonylContact O-C 3.58Å; T480-N483 PolarHBondContact O-N 2.91Å; T480-N483 PolarHBondContact OG1-N 3.39Å; T480-N483 VanDerWaalsContact OG1-N 3.13Å
481	L	69.7	Low	85.4	Confident	153 Å²	153	57.2 Å²	57.2	80%	0.801	32%	0.317	S	S	*	.	S	Bend	trans	-60.5	-28.8	173.1	-159.2	80.5	0	0	0	112	F533	L481-F533 HydrophobicContact CB-CE1 4.46Å; L481-F533 HydrophobicContact CB-CZ 4.37Å; L481-F533 HydrophobicContact CD1-CE1 3.88Å; L481-F533 HydrophobicContact CD1-CZ 4.39Å
482	E	72.2	Confident	84.8	Confident	182 Å²	182	60.5 Å²	60.5	85%	0.85	33%	0.333	S	S	*	.	S	Bend	trans	-81.6	-24.9	178.8	-64.1	178.2	174.6	0	0	112.9	T480	T480-E482 PolarHBondContact O-N 2.9Å
483	N	75.1	Confident	83.9	Confident	31 Å²	31	61.5 Å²	61.5	17%	0.166	34%	0.338	C	S	.	.	S	Bend	trans	-134.6	68.6	177.2	-167.3	14.9	0	0	0	111.4	Y459 T480 Y485	Y459-N483 PolarHBondContact OH-ND2 3.38Å; T480-N483 CarbonylContact O-C 3.58Å; T480-N483 PolarHBondContact O-N 2.91Å; T480-N483 PolarHBondContact OG1-N 3.39Å; T480-N483 VanDerWaalsContact OG1-N 3.13Å; N483-Y485 PolarHBondContact O-N 3.39Å
484	P	82.7	Confident	82.6	Confident	29 Å²	29	65 Å²	65	19%	0.188	34%	0.343	C	S	.	.			trans	-72.7	120.1	178.6	29.7	-33.7	0	0	0	109.7	N422 Q423	N422-P484 WeakPolarHBondContact OD1-CG 3.48Å; Q423-P484 PolarHBondContact N-O 3.44Å
485	Y	88.4	Confident	80.6	Confident	27 Å²	27	71.7 Å²	71.7	11%	0.106	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157.6	169.4	74.7	-88.3	0	0	0	111.4	Q423 V425 L476 P477 A479 N483 L487	Q423-Y485 CarbonylContact O-C 3.59Å; Q423-Y485 WeakPolarHBondContact O-CA 3.36Å; Q423-Y485 WeakPolarHBondContact O-CB 3.35Å; V425-Y485 HydrophobicContact CB-CD2 4.36Å; V425-Y485 HydrophobicContact CG2-CD2 3.89Å; V425-Y485 HydrophobicContact CG2-CG 4.35Å; L476-Y485 HydrophobicContact CD1-CE2 4.41Å; P477-Y485 WeakPolarHBondContact O-CE1 3.24Å; P477-Y485 PolarHBondContact O-OH 3.48Å; A479-Y485 HydrophobicContact CB-CD1 3.85Å; A479-Y485 HydrophobicContact CB-CE1 3.58Å; N483-Y485 PolarHBondContact O-N 3.39Å; Y485-L487 HydrophobicContact CD2-CB 4.37Å; Y485-L487 HydrophobicContact CE2-CB 4Å
486	V	92.3	Very high	78.1	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.2	169.5	67.8	0	0	0	0	108.9	L414 H417 Q423 T424 V425 L530 Y531 A532	L414-V486 HydrophobicContact CD1-CG1 3.96Å; L414-V486 HydrophobicContact CD1-CG2 4.4Å; H417-V486 HydrophobicContact CB-CB 3.82Å; H417-V486 HydrophobicContact CB-CG1 3.61Å; Q423-V486 PolarHBondContact O-N 2.87Å; T424-V486 HydrophobicContact CG2-CG1 3.97Å; V425-V486 PolarHBondContact N-O 3.29Å; V486-L530 HydrophobicContact CG2-CD1 3.43Å; V486-L530 VanDerWaalsContact CG2-CD1 3.43Å; V486-L530 HydrophobicContact CG2-CD2 3.96Å; V486-L530 HydrophobicContact CG2-CG 3.69Å; V486-Y531 WeakPolarHBondContact CA-O 3.48Å; V486-A532 HydrophobicContact CG2-CB 4.19Å
487	L	92.8	Very high	75.9	Confident	17 Å²	17	81.4 Å²	81.4	9%	0.089	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.7	-179.9	179.7	62	0	0	0	110.1	V425 R427 L476 Y485 L530 Y531	V425-L487 HydrophobicContact CB-CD1 4.08Å; V425-L487 HydrophobicContact CG1-CD1 3.89Å; V425-L487 CarbonylContact O-C 3.6Å; V425-L487 WeakPolarHBondContact O-CA 3.23Å; R427-L487 HydrophobicContact CB-CD1 3.82Å; L476-L487 HydrophobicContact CD1-CD1 3.62Å; L476-L487 HydrophobicContact CD1-CD2 3.64Å; L476-L487 HydrophobicContact CD1-CG 4.24Å; Y485-L487 HydrophobicContact CD2-CB 4.37Å; Y485-L487 HydrophobicContact CE2-CB 4Å; L487-L530 CarbonylContact O-C 3.52Å; L487-L530 VanDerWaalsContact O-CA 3.31Å; L487-L530 WeakPolarHBondContact O-CA 3.42Å; L487-Y531 HydrophobicContact CB-CD2 4.3Å; L487-Y531 HydrophobicContact CD2-CD2 3.84Å; L487-Y531 HydrophobicContact CD2-CE2 4.48Å; L487-Y531 HydrophobicContact CG-CD2 4.17Å; L487-Y531 PolarHBondContact N-O 3.45Å; L487-Y531 PolarHBondContact O-N 3.19Å
488	L	94.1	Very high	73.4	Confident	0 Å²	0	86 Å²	86	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108	167.7	178.9	62.3	0	0	0	108.6	I402 L406 L414 V425 V426 R427 L441 I490 A528 L530	I402-L488 HydrophobicContact CG2-CD2 4.17Å; L406-L488 HydrophobicContact CD1-CD1 3.98Å; L406-L488 HydrophobicContact CD2-CD1 4.16Å; L406-L488 HydrophobicContact CG-CD1 4.42Å; L414-L488 HydrophobicContact CD2-CD2 4.28Å; V425-L488 PolarHBondContact O-N 3.26Å; V426-L488 CarbonylContact C-O 3.58Å; V426-L488 WeakPolarHBondContact CA-O 3.29Å; V426-L488 HydrophobicContact CG2-CB 4.35Å; V426-L488 HydrophobicContact CG2-CD2 4.27Å; R427-L488 PolarHBondContact N-O 3.31Å; L441-L488 HydrophobicContact CD1-CD2 4.37Å; L488-I490 HydrophobicContact CD2-CD1 4.39Å; L488-I490 HydrophobicContact CG-CG1 4.18Å; L488-A528 HydrophobicContact CD1-CB 4.01Å; L488-L530 HydrophobicContact CB-CD1 4.4Å; L488-L530 HydrophobicContact CD1-CD1 4.42Å
489	T	91.8	Very high	71.2	Confident	15 Å²	15	84 Å²	84	9%	0.092	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.7	172.9	-51.9	0	0	0	0	109.3	R427 E491 A528 K529	R427-T489 WeakPolarHBondContact O-CA 3.42Å; T489-E491 HydrophobicContact CG2-CG 4.26Å; T489-A528 CarbonylContact O-C 3.47Å; T489-A528 VanDerWaalsContact O-CA 3.3Å; T489-A528 WeakPolarHBondContact O-CA 3.37Å; T489-K529 PolarHBondContact N-O 3.34Å; T489-K529 PolarHBondContact O-N 3.46Å
490	I	90.2	Very high	69.3	Low	0 Å²	0	87.7 Å²	87.7	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.4	177.8	-54.1	178	0	0	0	107.9	V426 R427 S428 L433 A437 L488 F526	V426-I490 HydrophobicContact CG1-CD1 3.89Å; V426-I490 HydrophobicContact CG1-CG1 4.42Å; R427-I490 PolarHBondContact O-N 2.75Å; S428-I490 PolarHBondContact OG-O 3.49Å; L433-I490 HydrophobicContact CD1-CG2 4.47Å; L433-I490 HydrophobicContact CD2-CB 4.11Å; L433-I490 HydrophobicContact CD2-CG2 3.29Å; L433-I490 HydrophobicContact CG-CD1 4.4Å; L433-I490 HydrophobicContact CG-CG2 3.9Å; A437-I490 HydrophobicContact CB-CD1 3.58Å; L488-I490 HydrophobicContact CD2-CD1 4.39Å; L488-I490 HydrophobicContact CG-CG1 4.18Å; I490-F526 HydrophobicContact CG2-CB 3.66Å; I490-F526 HydrophobicContact CG2-CD1 4.24Å; I490-F526 HydrophobicContact CG2-CD2 3.45Å; I490-F526 VanDerWaalsContact CG2-CD2 3.45Å; I490-F526 HydrophobicContact CG2-CE2 4.05Å; I490-F526 HydrophobicContact CG2-CG 3.54Å
491	E	85.1	Confident	67.3	Low	78 Å²	78	94.1 Å²	94.1	36%	0.364	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.9	-179.9	-68.4	170.3	-170.7	0	0	109.5	T489 Q493 F526 G527 K529	T489-E491 HydrophobicContact CG2-CG 4.26Å; E491-Q493 PolarHBondContact O-N 2.56Å; E491-F526 WeakPolarHBondContact O-CA 3.42Å; E491-F526 VanDerWaalsContact O-CB 3.26Å; E491-F526 WeakPolarHBondContact O-CB 3.35Å; E491-G527 PolarHBondContact N-O 2.98Å; E491-G527 PolarHBondContact O-N 3.44Å; E491-K529 VanDerWaalsContact CD-NZ 3.29Å; E491-K529 IonicContact OE1-NZ 2.98Å; E491-K529 PolarHBondContact OE1-NZ 3.19Å; E491-K529 IonicContact OE2-NZ 2.91Å; E491-K529 PolarHBondContact OE2-NZ 2.83Å
492	L	81.4	Confident	65.5	Low	81 Å²	81	90.6 Å²	90.6	42%	0.424	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122	174.9	-165.9	98	0	0	0	110	C524	L492-C524 HydrophobicContact CD1-CB 3.98Å
493	Q	71.1	Confident	63.4	Low	116 Å²	116	89.5 Å²	89.5	54%	0.542	48%	0.481	S	S	.	.			trans	-87.6	112.6	169	-58.5	-179.8	-16.6	0	0	108.1	E491 Q495 A525	E491-Q493 PolarHBondContact O-N 2.56Å; Q493-Q495 PolarHBondContact O-N 3.1Å; Q493-Q495 VanDerWaalsContact O-N 3.13Å; Q493-A525 HydrophobicContact CB-CB 4.18Å; Q493-A525 VanDerWaalsContact CB-O 3.25Å; Q493-A525 WeakPolarHBondContact CB-O 3.3Å; Q493-A525 PolarHBondContact N-O 2.94Å
494	Q	60	Low	61.2	Low	176 Å²	176	93.3 Å²	93.3	82%	0.822	51%	0.505	S	S	*	.			trans	-62.6	115.8	168.1	-68.3	-179.4	-8.8	0	0	107.6	Q496	Q494-Q496 PolarHBondContact O-N 3.43Å
495	Q	52.1	Low	58.9	Low	143 Å²	143	98.3 Å²	98.3	67%	0.668	54%	0.535	S	S	*	.			trans	-60.1	113.7	165.4	-72.7	178	-1.7	0	0	106.6	Q493 Q497	Q493-Q495 PolarHBondContact O-N 3.1Å; Q493-Q495 VanDerWaalsContact O-N 3.13Å; Q495-Q497 PolarHBondContact O-N 2.73Å
496	Q	38	Very low	56.1	Low	182 Å²	182	103.6 Å²	103.6	85%	0.85	57%	0.565	S	S	*	*			trans	-59.5	95.5	161.6	-88.5	172.2	-23.4	0	0	106.4	Q494 D498	Q494-Q496 PolarHBondContact O-N 3.43Å; Q496-D498 PolarHBondContact O-N 3.22Å
497	Q	41.7	Very low	53.3	Low	173 Å²	173	110.9 Å²	110.9	81%	0.808	60%	0.604	S	S	*	*			trans	-64.7	97.1	156.6	-79	-179.3	-12.2	0	0	105.4	Q495 S499	Q495-Q497 PolarHBondContact O-N 2.73Å; Q497-S499 VanDerWaalsContact C-N 3.26Å; Q497-S499 PolarHBondContact O-N 3.35Å
498	D	32.5	Very low	50.4	Low	147 Å²	147	119 Å²	119	79%	0.786	64%	0.641	S	S	*	*			trans	-56.3	100.2	159.2	-88.2	-29.6	0	0	0	106.7	Q496 S500	Q496-D498 PolarHBondContact O-N 3.22Å; D498-S500 PolarHBondContact O-N 3.48Å
499	S	35.7	Very low	47.5	Very low	120 Å²	120	126.1 Å²	126.1	84%	0.839	68%	0.679	S	S	*	*			trans	-70.1	76.8	174.5	53.9	0	0	0	0	109.2	Q497	Q497-S499 VanDerWaalsContact C-N 3.26Å; Q497-S499 PolarHBondContact O-N 3.35Å
500	S	35.2	Very low	44.7	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	71%	0.711	S	S	*	*			trans	-100.1	88.4	157.1	63.6	0	0	0	0	108.8	D498	D498-S500 PolarHBondContact O-N 3.48Å
501	Q	31.4	Very low	42.1	Very low	200 Å²	200	139.1 Å²	139.1	94%	0.935	75%	0.75	S	S	*	*			trans	49.4	95.5	138.3	-148.1	169.3	19.5	0	0	117
502	G	31.2	Very low	39.4	Very low	80 Å²	80	140.2 Å²	140.2	83%	0.825	77%	0.766	S	S	*	*			trans	-144.6	108.9	165	0	0	0	0	0	109.3
503	D	27.9	Very low	37	Very low	158 Å²	158	142 Å²	142	85%	0.845	78%	0.776	S	S	*	*			trans	-63	138.8	-172.4	-137.6	-9.1	0	0	0	113.7
504	V	29.6	Very low	35.6	Very low	111 Å²	111	142 Å²	142	67%	0.673	79%	0.789	S	S	*	*			trans	5.2	125.6	148.8	-175.7	0	0	0	0	118.1
505	V	33.6	Very low	34.9	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	78%	0.777	S	S	*	*				-156.6	132.5	116.9	-164.3	0	0	0	0	109.7
506	D	30.3	Very low	34.7	Very low	137 Å²	137	134.3 Å²	134.3	73%	0.733	77%	0.77	S	S	*	*			trans	-56.4	134.3	168.3	-61.3	-69.6	0	0	0	112.9
507	D	33.5	Very low	35.3	Very low	153 Å²	153	129 Å²	129	82%	0.818	75%	0.75	S	S	*	*			trans	-143.6	111.6	145.8	-89.9	-45	0	0	0	108.1	D509	D507-D509 PolarHBondContact O-N 3.48Å
508	E	31.5	Very low	35.8	Very low	188 Å²	188	123 Å²	123	88%	0.879	73%	0.727	S	S	*	*			trans	-69.7	101.8	165.8	-64.5	-176.5	149.6	0	0	108
509	D	34.9	Very low	36.8	Very low	150 Å²	150	119.7 Å²	119.7	80%	0.802	71%	0.709	S	S	*	*			trans	-135.5	124.8	165	-92.8	-41	0	0	0	111.5	D507	D507-D509 PolarHBondContact O-N 3.48Å
510	E	32.3	Very low	37.8	Very low	164 Å²	164	119.2 Å²	119.2	77%	0.766	69%	0.689	S	S	*	*			trans	-30.5	146.3	176.7	-83.4	-87.1	145.3	0	0	117.9	S512	E510-S512 PolarHBondContact O-N 2.86Å
511	P	34.5	Very low	38.9	Very low	124 Å²	124	114.1 Å²	114.1	81%	0.805	65%	0.654	S	S	*	*			trans	-74.9	88.8	-179.6	32.4	-33.1	0	0	0	110.8
512	S	30	Very low	40.1	Very low	100 Å²	100	108.4 Å²	108.4	70%	0.699	63%	0.629	S	S	*	*			trans	-90.3	135	166	47.9	0	0	0	0	110.8	E510	E510-S512 PolarHBondContact O-N 2.86Å
513	D	31	Very low	41.2	Very low	120 Å²	120	110.3 Å²	110.3	64%	0.642	62%	0.617	S	S	*	*			trans	81.5	105.7	161.2	-60.5	-19.2	0	0	0	120.1	S515	D513-S515 PolarHBondContact O-N 2.89Å
514	S	40.7	Very low	42.4	Very low	116 Å²	116	104.3 Å²	104.3	81%	0.811	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	28.3	166.4	55.8	0	0	0	0	114.3
515	S	45.5	Very low	43.7	Very low	82 Å²	82	100.9 Å²	100.9	57%	0.573	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-9.2	171.6	57.9	0	0	0	0	112.7	D513 T517	D513-S515 PolarHBondContact O-N 2.89Å; S515-T517 PolarHBondContact O-N 3.26Å
516	S	48.6	Very low	45	Very low	74 Å²	74	95 Å²	95	52%	0.517	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.3	-171.2	66.8	0	0	0	0	116.1
517	T	50	Low	46.8	Very low	70 Å²	70	89.4 Å²	89.4	43%	0.429	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-34	-175.9	53.8	0	0	0	0	113.2	S515 D519 R520	S515-T517 PolarHBondContact O-N 3.26Å; T517-D519 VanDerWaalsContact C-N 3.32Å; T517-D519 PolarHBondContact O-N 3.19Å; T517-R520 WeakPolarHBondContact O-CB 3.36Å; T517-R520 PolarHBondContact O-N 3.49Å
518	S	51.4	Low	49	Very low	47 Å²	47	82.8 Å²	82.8	33%	0.329	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-29.7	-173.8	-65.6	0	0	0	0	113.1	L394 R520	L394-S518 WeakPolarHBondContact CD2-OG 3.44Å; S518-R520 VanDerWaalsContact C-N 3.34Å
519	D	53.7	Low	51.3	Low	78 Å²	78	78.1 Å²	78.1	42%	0.417	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.9	178.6	-85.8	-15.8	0	0	0	113.6	T517 L521 L522 Q523	T517-D519 VanDerWaalsContact C-N 3.32Å; T517-D519 PolarHBondContact O-N 3.19Å; D519-L521 PolarHBondContact O-N 3.24Å; D519-L522 CarbonylContact O-C 3.51Å; D519-L522 WeakPolarHBondContact O-CB 3.39Å; D519-L522 PolarHBondContact O-N 2.88Å; D519-L522 VanDerWaalsContact O-N 3.1Å; D519-Q523 HydrophobicContact CB-CG 4.28Å; D519-Q523 WeakPolarHBondContact O-CB 3.4Å; D519-Q523 VanDerWaalsContact O-CG 3.26Å; D519-Q523 WeakPolarHBondContact O-CG 3.2Å; D519-Q523 PolarHBondContact O-N 2.88Å
520	R	56.9	Low	53.7	Low	110 Å²	110	72.2 Å²	72.2	42%	0.415	42%	0.419	S	S	.	.	H	α-helix	trans	-62.1	-42.3	-174.9	-77.6	-173	168.6	-175.2	-3.2	113.3	D432 M436 T517 S518 L522 Q523 C524	D432-R520 IonicContact OD2-NH1 2.76Å; M436-R520 HydrophobicContact CE-CB 4.26Å; T517-R520 WeakPolarHBondContact O-CB 3.36Å; T517-R520 PolarHBondContact O-N 3.49Å; S518-R520 VanDerWaalsContact C-N 3.34Å; R520-L522 PolarHBondContact O-N 3.07Å; R520-Q523 PolarHBondContact O-N 3.32Å; R520-C524 WeakPolarHBondContact O-CB 3.39Å; R520-C524 PolarHBondContact O-N 3.2Å; R520-C524 PolarHBondContact O-SG 2.97Å
521	L	57.7	Low	56	Low	0 Å²	0	70.5 Å²	70.5	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-67.5	-27.9	178.7	-158.3	148.3	0	0	0	111.9	H398 H401 L433 M436 D519 F526	H398-L521 HydrophobicContact CB-CD1 4.25Å; H398-L521 HydrophobicContact CB-CD2 4.11Å; H401-L521 HydrophobicContact CB-CD2 3.84Å; L433-L521 HydrophobicContact CD1-CB 4.25Å; L433-L521 HydrophobicContact CD1-CD1 3.7Å; L433-L521 HydrophobicContact CD1-CG 3.72Å; M436-L521 HydrophobicContact CB-CD1 3.61Å; M436-L521 HydrophobicContact CE-CB 4.08Å; M436-L521 HydrophobicContact CE-CD1 4.47Å; M436-L521 HydrophobicContact SD-CB 4.02Å; M436-L521 HydrophobicContact SD-CD1 4.46Å; D519-L521 PolarHBondContact O-N 3.24Å; L521-F526 HydrophobicContact CD2-CE1 3.51Å; L521-F526 HydrophobicContact CD2-CZ 3.83Å; L521-F526 HydrophobicContact CG-CE1 3.68Å; L521-F526 HydrophobicContact CG-CZ 4.28Å
522	L	57.9	Low	58.2	Low	79 Å²	79	66.4 Å²	66.4	41%	0.414	38%	0.383	S	S	.	.	H	α-helix	trans	-78.2	-33.4	174.7	-73.8	174.1	0	0	0	113	V397 D519 R520	V397-L522 HydrophobicContact CG1-CD1 4Å; V397-L522 HydrophobicContact CG1-CD2 3.43Å; V397-L522 VanDerWaalsContact CG1-CD2 3.43Å; V397-L522 HydrophobicContact CG1-CG 4.04Å; D519-L522 CarbonylContact O-C 3.51Å; D519-L522 WeakPolarHBondContact O-CB 3.39Å; D519-L522 PolarHBondContact O-N 2.88Å; D519-L522 VanDerWaalsContact O-N 3.1Å; R520-L522 PolarHBondContact O-N 3.07Å
523	Q	54	Low	60.4	Low	121 Å²	121	65.7 Å²	65.7	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-86.3	-32.1	-178.6	-70.7	174.8	4.7	0	0	112.6	D519 R520 A525	D519-Q523 HydrophobicContact CB-CG 4.28Å; D519-Q523 WeakPolarHBondContact O-CB 3.4Å; D519-Q523 VanDerWaalsContact O-CG 3.26Å; D519-Q523 WeakPolarHBondContact O-CG 3.2Å; D519-Q523 PolarHBondContact O-N 2.88Å; R520-Q523 PolarHBondContact O-N 3.32Å; Q523-A525 PolarHBondContact O-N 3.18Å
524	C	52.4	Low	62.8	Low	32 Å²	32	62.4 Å²	62.4	22%	0.216	35%	0.354	C	S	.	.	S	Bend	trans	-77.4	108.5	177.4	-66.3	0	0	0	0	109.7	L492 R520 F526	L492-C524 HydrophobicContact CD1-CB 3.98Å; R520-C524 WeakPolarHBondContact O-CB 3.39Å; R520-C524 PolarHBondContact O-N 3.2Å; R520-C524 PolarHBondContact O-SG 2.97Å; C524-F526 WeakPolarHBondContact O-CD1 3.33Å; C524-F526 PolarHBondContact O-N 3.43Å; C524-F526 VanDerWaalsContact O-N 3.11Å
525	A	56.7	Low	64.9	Low	39 Å²	39	60.6 Å²	60.6	32%	0.322	34%	0.341	S	S	.	.			trans	-59.6	116.7	158.3	0	0	0	0	0	107.4	Q493 Q523	Q493-A525 HydrophobicContact CB-CB 4.18Å; Q493-A525 VanDerWaalsContact CB-O 3.25Å; Q493-A525 WeakPolarHBondContact CB-O 3.3Å; Q493-A525 PolarHBondContact N-O 2.94Å; Q523-A525 PolarHBondContact O-N 3.18Å
526	F	62.2	Low	66.9	Low	12 Å²	12	57.7 Å²	57.7	5%	0.053	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.5	174.4	63.6	-101.9	0	0	0	110.9	H401 I402 S405 L433 I490 E491 L521 C524 A528	H401-F526 AromaticContact CE1-CD1 3.77Å; H401-F526 AromaticContact CE1-CE1 3.26Å; H401-F526 WeakPolarHBondContact CE1-CE1 3.43Å; H401-F526 AromaticContact CE1-CZ 3.7Å; H401-F526 AromaticContact ND1-CD1 3.91Å; H401-F526 AromaticContact ND1-CE1 2.95Å; H401-F526 WeakPolarHBondContact ND1-CE1 3.37Å; H401-F526 AromaticContact ND1-CZ 3.04Å; H401-F526 WeakPolarHBondContact ND1-CZ 3.21Å; I402-F526 HydrophobicContact CG1-CZ 4.4Å; S405-F526 WeakPolarHBondContact OG-CE2 3.39Å; L433-F526 HydrophobicContact CD1-CD1 4.47Å; I490-F526 HydrophobicContact CG2-CB 3.66Å; I490-F526 HydrophobicContact CG2-CD1 4.24Å; I490-F526 HydrophobicContact CG2-CD2 3.45Å; I490-F526 VanDerWaalsContact CG2-CD2 3.45Å; I490-F526 HydrophobicContact CG2-CE2 4.05Å; I490-F526 HydrophobicContact CG2-CG 3.54Å; E491-F526 WeakPolarHBondContact O-CA 3.42Å; E491-F526 VanDerWaalsContact O-CB 3.26Å; E491-F526 WeakPolarHBondContact O-CB 3.35Å; L521-F526 HydrophobicContact CD2-CE1 3.51Å; L521-F526 HydrophobicContact CD2-CZ 3.83Å; L521-F526 HydrophobicContact CG-CE1 3.68Å; L521-F526 HydrophobicContact CG-CZ 4.28Å; C524-F526 WeakPolarHBondContact O-CD1 3.33Å; C524-F526 PolarHBondContact O-N 3.43Å; C524-F526 VanDerWaalsContact O-N 3.11Å; F526-A528 HydrophobicContact CD2-CB 4.4Å; F526-A528 HydrophobicContact CE2-CB 4.33Å
527	G	67.5	Low	68.7	Low	18 Å²	18	61.6 Å²	61.6	19%	0.186	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.7	166.3	0	0	0	0	0	109.1	E491	E491-G527 PolarHBondContact N-O 2.98Å; E491-G527 PolarHBondContact O-N 3.44Å
528	A	79	Confident	70.7	Confident	14 Å²	14	62.5 Å²	62.5	12%	0.116	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.4	170.3	0	0	0	0	0	110	S405 L406 L488 T489 F526	S405-A528 VanDerWaalsContact OG-CB 3.23Å; S405-A528 WeakPolarHBondContact OG-CB 3.4Å; L406-A528 HydrophobicContact CD2-CB 3.52Å; L406-A528 WeakPolarHBondContact CD2-O 3.39Å; L406-A528 HydrophobicContact CG-CB 3.73Å; L488-A528 HydrophobicContact CD1-CB 4.01Å; T489-A528 CarbonylContact O-C 3.47Å; T489-A528 VanDerWaalsContact O-CA 3.3Å; T489-A528 WeakPolarHBondContact O-CA 3.37Å; F526-A528 HydrophobicContact CD2-CB 4.4Å; F526-A528 HydrophobicContact CE2-CB 4.33Å
529	K	81.1	Confident	72.8	Confident	90 Å²	90	62.4 Å²	62.4	39%	0.391	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.7	171.7	-68.6	173.5	-169.7	148.6	0	109.2	T489 E491 Y531	T489-K529 PolarHBondContact N-O 3.34Å; T489-K529 PolarHBondContact O-N 3.46Å; E491-K529 VanDerWaalsContact CD-NZ 3.29Å; E491-K529 IonicContact OE1-NZ 2.98Å; E491-K529 PolarHBondContact OE1-NZ 3.19Å; E491-K529 IonicContact OE2-NZ 2.91Å; E491-K529 PolarHBondContact OE2-NZ 2.83Å; K529-Y531 HydrophobicContact CB-CE2 4.06Å
530	L	85.7	Confident	74.8	Confident	26 Å²	26	58.7 Å²	58.7	14%	0.136	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.2	178.3	-163.9	81	0	0	0	110.3	L406 S410 L413 L414 V486 L487 L488	L406-L530 HydrophobicContact CD2-CB 4.32Å; S410-L530 WeakPolarHBondContact O-CD2 3.35Å; L413-L530 HydrophobicContact CB-CD2 4.04Å; L413-L530 HydrophobicContact CD2-CD2 4.4Å; L413-L530 HydrophobicContact CG-CD2 4.3Å; L414-L530 HydrophobicContact CB-CD1 3.91Å; L414-L530 HydrophobicContact CB-CD2 4.04Å; L414-L530 HydrophobicContact CD1-CD1 3.95Å; L414-L530 HydrophobicContact CG-CD1 4.33Å; V486-L530 HydrophobicContact CG2-CD1 3.43Å; V486-L530 VanDerWaalsContact CG2-CD1 3.43Å; V486-L530 HydrophobicContact CG2-CD2 3.96Å; V486-L530 HydrophobicContact CG2-CG 3.69Å; L487-L530 CarbonylContact O-C 3.52Å; L487-L530 VanDerWaalsContact O-CA 3.31Å; L487-L530 WeakPolarHBondContact O-CA 3.42Å; L488-L530 HydrophobicContact CB-CD1 4.4Å; L488-L530 HydrophobicContact CD1-CD1 4.42Å
531	Y	80.5	Confident	76.7	Confident	129 Å²	129	55.2 Å²	55.2	51%	0.506	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.9	168.5	-51.9	-92.1	0	0	0	108.7	V486 L487 K529	V486-Y531 WeakPolarHBondContact CA-O 3.48Å; L487-Y531 HydrophobicContact CB-CD2 4.3Å; L487-Y531 HydrophobicContact CD2-CD2 3.84Å; L487-Y531 HydrophobicContact CD2-CE2 4.48Å; L487-Y531 HydrophobicContact CG-CD2 4.17Å; L487-Y531 PolarHBondContact N-O 3.45Å; L487-Y531 PolarHBondContact O-N 3.19Å; K529-Y531 HydrophobicContact CB-CE2 4.06Å
532	A	79.9	Confident	78.6	Confident	37 Å²	37	55.3 Å²	55.3	31%	0.306	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.4	-178.2	0	0	0	0	0	109.8	L413 V486	L413-A532 HydrophobicContact CD2-CB 3.44Å; L413-A532 VanDerWaalsContact CD2-CB 3.44Å; L413-A532 HydrophobicContact CG-CB 3.91Å; V486-A532 HydrophobicContact CG2-CB 4.19Å
533	F	75.5	Confident	80.5	Confident	86 Å²	86	51.6 Å²	51.6	38%	0.377	29%	0.29	S	S	.	.	S	Bend	trans	-65.4	-39.6	178.8	176.3	-102.9	0	0	0	113.1	A479 L481	A479-F533 HydrophobicContact CB-CB 3.83Å; A479-F533 HydrophobicContact CB-CD2 3.76Å; A479-F533 HydrophobicContact CB-CG 4.15Å; A479-F533 WeakPolarHBondContact O-CD2 3.38Å; A479-F533 WeakPolarHBondContact O-CE2 3.14Å; L481-F533 HydrophobicContact CB-CE1 4.46Å; L481-F533 HydrophobicContact CB-CZ 4.37Å; L481-F533 HydrophobicContact CD1-CE1 3.88Å; L481-F533 HydrophobicContact CD1-CZ 4.39Å
534	S	81.6	Confident	82.5	Confident	50 Å²	50	48.9 Å²	48.9	35%	0.35	28%	0.279	S	S	.	.			trans	-150.6	148.5	-172.6	61.3	0	0	0	0	111.2	H417	H417-S534 PolarHBondContact NE2-O 2.92Å; H417-S534 VanDerWaalsContact NE2-O 3.13Å
535	S	84.9	Confident	84.5	Confident	79 Å²	79	51.2 Å²	51.2	55%	0.552	29%	0.285	S	S	*	.			trans	-100.2	136.4	165.2	178.8	0	0	0	0	109.5	Y539	S535-Y539 PolarHBondContact OG-OH 2.95Å
536	P	87.8	Confident	86.4	Confident	21 Å²	21	49.5 Å²	49.5	14%	0.136	27%	0.271	C	S	.	.			trans	-68.4	158.4	171.3	32.1	-36.7	0	0	0	111	Y416 Y539	Y416-P536 HydrophobicContact CD1-CG 3.87Å; Y416-P536 HydrophobicContact CD2-CB 4.3Å; Y416-P536 HydrophobicContact CD2-CG 3.84Å; Y416-P536 HydrophobicContact CE1-CB 4.13Å; Y416-P536 HydrophobicContact CE1-CG 3.94Å; Y416-P536 HydrophobicContact CE2-CB 3.83Å; Y416-P536 HydrophobicContact CE2-CG 3.89Å; Y416-P536 HydrophobicContact CG-CG 3.82Å; P536-Y539 HydrophobicContact CG-CD1 3.83Å; P536-Y539 HydrophobicContact CG-CD2 4.41Å; P536-Y539 HydrophobicContact CG-CE1 3.49Å; P536-Y539 VanDerWaalsContact CG-CE1 3.49Å; P536-Y539 HydrophobicContact CG-CE2 4.1Å; P536-Y539 HydrophobicContact CG-CG 4.29Å
537	T	86.8	Confident	88	Confident	156 Å²	156	49.4 Å²	49.4	96%	0.957	27%	0.271	S	S	*	.	S	Bend	trans	-77.1	-38.9	172.9	49.1	0	0	0	0	112
538	E	92.5	Very high	89.3	Confident	88 Å²	88	51.8 Å²	51.8	41%	0.411	28%	0.282	S	S	.	.	S	Bend	trans	-130.8	140.1	174.3	-170.3	175.4	-169	0	0	109.9	K603 P605	E538-K603 WeakPolarHBondContact OE1-CD 3.29Å; E538-K603 IonicContact OE1-NZ 3.93Å; E538-K603 PolarHBondContact OE1-NZ 3.18Å; E538-P605 HydrophobicContact CB-CG 4.45Å; E538-P605 HydrophobicContact CG-CG 4.25Å
539	Y	95	Very high	90	Very high	45 Å²	45	53.2 Å²	53.2	18%	0.176	29%	0.287	C	S	.	.			trans	-93.3	140.6	179.5	-72.3	-90.5	0	0	0	111.2	R412 Y416 S535 P536 V543 N544	R412-Y539 HydrophobicContact CG-CD1 3.81Å; R412-Y539 HydrophobicContact CG-CE1 3.69Å; R412-Y539 HydrophobicContact CG-CG 4.27Å; Y416-Y539 HydrophobicContact CD2-CD1 4.49Å; Y416-Y539 HydrophobicContact CG-CD1 4.43Å; Y416-Y539 HydrophobicContact CG-CE1 4.38Å; S535-Y539 PolarHBondContact OG-OH 2.95Å; P536-Y539 HydrophobicContact CG-CD1 3.83Å; P536-Y539 HydrophobicContact CG-CD2 4.41Å; P536-Y539 HydrophobicContact CG-CE1 3.49Å; P536-Y539 VanDerWaalsContact CG-CE1 3.49Å; P536-Y539 HydrophobicContact CG-CE2 4.1Å; P536-Y539 HydrophobicContact CG-CG 4.29Å; Y539-V543 HydrophobicContact CD1-CG1 4Å; Y539-N544 PolarHBondContact O-ND2 2.72Å
540	P	96	Very high	90.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.			trans	-54.1	146.4	170.9	-24.2	32.4	0	0	0	112.1	Y416 L542 V543 N544 P605 D606 L609	Y416-P540 HydrophobicContact CD2-CG 4.29Å; P540-L542 PolarHBondContact O-N 3.24Å; P540-L542 VanDerWaalsContact O-N 3.17Å; P540-V543 HydrophobicContact CB-CG2 4.31Å; P540-V543 HydrophobicContact CG-CG2 4.31Å; P540-V543 WeakPolarHBondContact O-CB 3.39Å; P540-V543 PolarHBondContact O-N 3.19Å; P540-N544 PolarHBondContact O-N 3.28Å; P540-P605 HydrophobicContact CG-CB 4.26Å; P540-D606 VanDerWaalsContact CA-OD1 3.22Å; P540-D606 WeakPolarHBondContact CA-OD1 3.41Å; P540-L609 HydrophobicContact CB-CD1 3.79Å; P540-L609 HydrophobicContact CG-CD1 4.1Å
541	A	96.5	Very high	90.8	Very high	38 Å²	38	51.7 Å²	51.7	31%	0.314	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-30.9	177.9	0	0	0	0	0	112.3	N544 K545 W571 D606	A541-N544 PolarHBondContact O-N 2.95Å; A541-K545 WeakPolarHBondContact O-CB 3.22Å; A541-K545 WeakPolarHBondContact O-CG 3.1Å; A541-K545 PolarHBondContact O-N 3.46Å; A541-W571 HydrophobicContact CB-CH2 4.16Å; A541-W571 HydrophobicContact CB-CZ2 4Å; A541-D606 PolarHBondContact N-OD1 3.28Å
542	L	97.1	Very high	91.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-47.1	175.2	-175.7	48.7	0	0	0	111.6	L419 P540 N544 K545 I546 L567 W571 L609 W613	L419-L542 HydrophobicContact CD1-CD2 4.14Å; L419-L542 HydrophobicContact CD1-CG 4.01Å; L419-L542 HydrophobicContact CD2-CD2 4.12Å; P540-L542 PolarHBondContact O-N 3.24Å; P540-L542 VanDerWaalsContact O-N 3.17Å; L542-N544 VanDerWaalsContact C-N 3.3Å; L542-N544 PolarHBondContact O-N 3.16Å; L542-K545 PolarHBondContact O-N 3.4Å; L542-I546 HydrophobicContact CD1-CD1 3.78Å; L542-I546 HydrophobicContact CD1-CG1 4.06Å; L542-I546 HydrophobicContact CG-CD1 3.85Å; L542-I546 WeakPolarHBondContact O-CG1 3.37Å; L542-I546 PolarHBondContact O-N 3.16Å; L542-L567 HydrophobicContact CD1-CD1 4.09Å; L542-L567 HydrophobicContact CD1-CD2 3.53Å; L542-L567 HydrophobicContact CD1-CG 3.55Å; L542-W571 HydrophobicContact CB-CD2 3.82Å; L542-W571 HydrophobicContact CB-CE3 4.04Å; L542-W571 HydrophobicContact CB-CH2 3.68Å; L542-W571 HydrophobicContact CB-CZ2 3.46Å; L542-W571 VanDerWaalsContact CB-CZ2 3.46Å; L542-W571 HydrophobicContact CB-CZ3 3.97Å; L542-W571 HydrophobicContact CD1-CD2 4.22Å; L542-W571 HydrophobicContact CD1-CG 4.09Å; L542-W571 HydrophobicContact CD2-CB 4.32Å; L542-W571 HydrophobicContact CD2-CD2 3.84Å; L542-W571 HydrophobicContact CD2-CE3 4.1Å; L542-W571 HydrophobicContact CD2-CG 3.92Å; L542-W571 HydrophobicContact CG-CD2 4.16Å; L542-W571 HydrophobicContact CG-CG 4.4Å; L542-L609 HydrophobicContact CB-CD1 3.99Å; L542-L609 HydrophobicContact CD2-CD1 4.04Å; L542-L609 HydrophobicContact CD2-CD2 4.21Å; L542-W613 HydrophobicContact CD2-CH2 3.68Å; L542-W613 HydrophobicContact CD2-CZ2 3.66Å
543	V	97.1	Very high	91	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-47.5	179	174.6	0	0	0	0	109.7	R412 L415 L419 Y539 P540 I546 M547	R412-V543 HydrophobicContact CG-CG1 3.71Å; L415-V543 HydrophobicContact CB-CG1 4.04Å; L415-V543 HydrophobicContact CB-CG2 4.45Å; L415-V543 HydrophobicContact CD1-CG1 4.42Å; L419-V543 HydrophobicContact CD1-CG2 3.83Å; Y539-V543 HydrophobicContact CD1-CG1 4Å; P540-V543 HydrophobicContact CB-CG2 4.31Å; P540-V543 HydrophobicContact CG-CG2 4.31Å; P540-V543 WeakPolarHBondContact O-CB 3.39Å; P540-V543 PolarHBondContact O-N 3.19Å; V543-I546 PolarHBondContact O-N 3.38Å; V543-M547 HydrophobicContact CG1-CG 4.41Å; V543-M547 WeakPolarHBondContact O-CB 3.48Å; V543-M547 WeakPolarHBondContact O-CG 3.34Å; V543-M547 PolarHBondContact O-N 2.99Å
544	N	95.9	Very high	91.3	Very high	64 Å²	64	56.4 Å²	56.4	34%	0.342	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-41.7	-179.4	-66.1	-40.5	0	0	0	112.3	Y539 P540 A541 L542 I546 M547 T548	Y539-N544 PolarHBondContact O-ND2 2.72Å; P540-N544 PolarHBondContact O-N 3.28Å; A541-N544 PolarHBondContact O-N 2.95Å; L542-N544 VanDerWaalsContact C-N 3.3Å; L542-N544 PolarHBondContact O-N 3.16Å; N544-I546 PolarHBondContact O-N 2.86Å; N544-M547 WeakPolarHBondContact O-CB 3.44Å; N544-M547 PolarHBondContact O-N 3.38Å; N544-T548 PolarHBondContact O-N 3.44Å; N544-T548 PolarHBondContact O-OG1 2.91Å
545	K	96.2	Very high	91.6	Very high	81 Å²	81	56.9 Å²	56.9	35%	0.352	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175.1	-76.7	-178.3	176.1	-174.2	0	111.8	A541 L542 T548 M549 L567 E570	A541-K545 WeakPolarHBondContact O-CB 3.22Å; A541-K545 WeakPolarHBondContact O-CG 3.1Å; A541-K545 PolarHBondContact O-N 3.46Å; L542-K545 PolarHBondContact O-N 3.4Å; K545-T548 PolarHBondContact O-N 3.36Å; K545-M549 WeakPolarHBondContact O-CG 3.34Å; K545-M549 PolarHBondContact O-N 2.89Å; K545-L567 HydrophobicContact CB-CD1 4.45Å; K545-L567 HydrophobicContact CB-CD2 3.85Å; K545-L567 HydrophobicContact CD-CD1 3.59Å; K545-E570 IonicContact NZ-OE1 3.58Å; K545-E570 PolarHBondContact NZ-OE1 2.69Å; K545-E570 IonicContact NZ-OE2 2.71Å; K545-E570 PolarHBondContact NZ-OE2 2.82Å; K545-E570 VanDerWaalsContact NZ-OE2 3.08Å
546	I	96.3	Very high	91.8	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-43.9	176.9	-67.4	167	0	0	0	110.5	L415 L419 L444 L542 V543 N544 T548 M549 V550 L564 L567	L415-I546 HydrophobicContact CD1-CB 4.21Å; L415-I546 HydrophobicContact CD1-CG2 3.72Å; L415-I546 HydrophobicContact CD2-CG2 4.13Å; L419-I546 HydrophobicContact CD1-CD1 3.82Å; L419-I546 HydrophobicContact CD2-CD1 4.5Å; L444-I546 HydrophobicContact CD2-CD1 4.38Å; L542-I546 HydrophobicContact CD1-CD1 3.78Å; L542-I546 HydrophobicContact CD1-CG1 4.06Å; L542-I546 HydrophobicContact CG-CD1 3.85Å; L542-I546 WeakPolarHBondContact O-CG1 3.37Å; L542-I546 PolarHBondContact O-N 3.16Å; V543-I546 PolarHBondContact O-N 3.38Å; N544-I546 PolarHBondContact O-N 2.86Å; I546-T548 VanDerWaalsContact C-N 3.31Å; I546-T548 PolarHBondContact O-N 2.73Å; I546-M549 PolarHBondContact O-N 3.08Å; I546-M549 VanDerWaalsContact O-N 3.17Å; I546-V550 HydrophobicContact CG2-CG2 4.11Å; I546-V550 WeakPolarHBondContact O-CG2 3.37Å; I546-V550 PolarHBondContact O-N 3.26Å; I546-L564 HydrophobicContact CG1-CD2 4.14Å; I546-L564 HydrophobicContact CG2-CD2 4.19Å; I546-L567 HydrophobicContact CG1-CD2 3.84Å
547	M	95.8	Very high	91.8	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.044	32%	0.321	C	S	.	.	H	α-helix	trans	-56	-45.8	175.9	-74.1	-70.2	-63.1	0	0	111.9	K408 F411 R412 L415 V543 N544 V550 Y551	K408-M547 HydrophobicContact CB-CE 4.22Å; K408-M547 WeakPolarHBondContact O-CE 3.37Å; F411-M547 HydrophobicContact CD1-SD 3.63Å; F411-M547 HydrophobicContact CE1-SD 4.24Å; R412-M547 HydrophobicContact CB-CE 3.97Å; R412-M547 HydrophobicContact CB-CG 4.33Å; R412-M547 HydrophobicContact CB-SD 3.81Å; R412-M547 HydrophobicContact CG-CG 4.24Å; R412-M547 HydrophobicContact CG-SD 4.37Å; L415-M547 HydrophobicContact CD1-CG 4Å; L415-M547 HydrophobicContact CD1-SD 3.88Å; V543-M547 HydrophobicContact CG1-CG 4.41Å; V543-M547 WeakPolarHBondContact O-CB 3.48Å; V543-M547 WeakPolarHBondContact O-CG 3.34Å; V543-M547 PolarHBondContact O-N 2.99Å; N544-M547 WeakPolarHBondContact O-CB 3.44Å; N544-M547 PolarHBondContact O-N 3.38Å; M547-V550 PolarHBondContact O-N 3.18Å; M547-Y551 HydrophobicContact CE-CD2 3.81Å; M547-Y551 HydrophobicContact CE-CE2 3.5Å; M547-Y551 WeakPolarHBondContact O-CD2 3.29Å; M547-Y551 PolarHBondContact O-N 2.98Å; M547-Y551 VanDerWaalsContact O-N 3.08Å; M547-Y551 HydrophobicContact SD-CD2 4.33Å; M547-Y551 HydrophobicContact SD-CE2 3.93Å
548	T	94.9	Very high	91.8	Very high	68 Å²	68	53.5 Å²	53.5	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-47.5	174.8	-69.6	0	0	0	0	111.4	N544 K545 I546 V550 E552 G553	N544-T548 PolarHBondContact O-N 3.44Å; N544-T548 PolarHBondContact O-OG1 2.91Å; K545-T548 PolarHBondContact O-N 3.36Å; I546-T548 VanDerWaalsContact C-N 3.31Å; I546-T548 PolarHBondContact O-N 2.73Å; T548-V550 VanDerWaalsContact C-N 3.31Å; T548-V550 PolarHBondContact O-N 2.79Å; T548-E552 HydrophobicContact CG2-CB 4.34Å; T548-E552 WeakPolarHBondContact CG2-OE2 3.43Å; T548-E552 WeakPolarHBondContact O-CA 3.38Å; T548-E552 VanDerWaalsContact O-CB 3.29Å; T548-E552 WeakPolarHBondContact O-CB 3.17Å; T548-E552 PolarHBondContact O-N 3.32Å; T548-G553 PolarHBondContact O-N 3.29Å
549	M	93.6	Very high	91.8	Very high	45 Å²	45	52.3 Å²	52.3	22%	0.222	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-37.8	179	-71.4	178.5	-176.1	0	0	113.2	K545 I546 L560 L563 L564 L567	K545-M549 WeakPolarHBondContact O-CG 3.34Å; K545-M549 PolarHBondContact O-N 2.89Å; I546-M549 PolarHBondContact O-N 3.08Å; I546-M549 VanDerWaalsContact O-N 3.17Å; M549-L560 HydrophobicContact CB-CD1 3.93Å; M549-L563 HydrophobicContact SD-CB 4.14Å; M549-L564 HydrophobicContact SD-CD2 4.22Å; M549-L567 HydrophobicContact CE-CB 4.24Å; M549-L567 HydrophobicContact CE-CD2 3.78Å; M549-L567 HydrophobicContact CE-CG 4.45Å; M549-L567 HydrophobicContact SD-CD2 3.88Å
550	V	92.3	Very high	91.6	Very high	19 Å²	19	50.6 Å²	50.6	12%	0.115	28%	0.284	C	S	.	.	H	α-helix	trans	-80.7	-36.9	-175.5	173.3	0	0	0	0	113	A403 F411 I546 M547 T548	A403-V550 HydrophobicContact CB-CG1 3.61Å; F411-V550 HydrophobicContact CE1-CG1 4.25Å; I546-V550 HydrophobicContact CG2-CG2 4.11Å; I546-V550 WeakPolarHBondContact O-CG2 3.37Å; I546-V550 PolarHBondContact O-N 3.26Å; M547-V550 PolarHBondContact O-N 3.18Å; T548-V550 VanDerWaalsContact C-N 3.31Å; T548-V550 PolarHBondContact O-N 2.79Å
551	Y	90.9	Very high	91.4	Very high	65 Å²	65	51.3 Å²	51.3	26%	0.255	29%	0.292	S	S	.	.	H	α-helix	trans	-104.5	-25.2	-175.2	-71	-73	0	0	0	115.1	A403 K408 F411 M547	A403-Y551 PolarHBondContact O-OH 3.4Å; K408-Y551 HydrophobicContact CG-CD1 4.47Å; K408-Y551 HydrophobicContact CG-CD2 4.49Å; K408-Y551 HydrophobicContact CG-CE1 4.08Å; K408-Y551 HydrophobicContact CG-CE2 4.07Å; F411-Y551 AromaticContact CD1-CE2 3.88Å; F411-Y551 HydrophobicContact CD1-CE2 3.88Å; M547-Y551 HydrophobicContact CE-CD2 3.81Å; M547-Y551 HydrophobicContact CE-CE2 3.5Å; M547-Y551 WeakPolarHBondContact O-CD2 3.29Å; M547-Y551 PolarHBondContact O-N 2.98Å; M547-Y551 VanDerWaalsContact O-N 3.08Å; M547-Y551 HydrophobicContact SD-CD2 4.33Å; M547-Y551 HydrophobicContact SD-CE2 3.93Å
552	E	86.5	Confident	91.2	Very high	142 Å²	142	54.6 Å²	54.6	66%	0.664	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-14.6	-175.6	-57.7	173.1	-174.5	0	0	112.1	T548 D554	T548-E552 HydrophobicContact CG2-CB 4.34Å; T548-E552 WeakPolarHBondContact CG2-OE2 3.43Å; T548-E552 WeakPolarHBondContact O-CA 3.38Å; T548-E552 VanDerWaalsContact O-CB 3.29Å; T548-E552 WeakPolarHBondContact O-CB 3.17Å; T548-E552 PolarHBondContact O-N 3.32Å; E552-D554 PolarHBondContact O-N 3.08Å
553	G	76.9	Confident	91	Very high	36 Å²	36	58 Å²	58	37%	0.371	32%	0.316	S	S	.	.			trans	-78.1	111	176.6	0	0	0	0	0	112.1	T548 V555	T548-G553 PolarHBondContact O-N 3.29Å; G553-V555 PolarHBondContact O-N 3.01Å
554	D	82.3	Confident	90.9	Very high	172 Å²	172	58.3 Å²	58.3	92%	0.92	32%	0.318	S	S	*	.			trans	-81.6	67	165	-168	19.8	0	0	0	109.7	E552	E552-D554 PolarHBondContact O-N 3.08Å
555	V	88.3	Confident	90.8	Very high	61 Å²	61	59.9 Å²	59.9	37%	0.37	32%	0.32	S	S	.	.			trans	-128.4	150	-176.4	-65.4	0	0	0	0	110.9	G553 V559 L560 L563	G553-V555 PolarHBondContact O-N 3.01Å; V555-V559 HydrophobicContact CB-CB 4.2Å; V555-V559 HydrophobicContact CB-CG1 4.03Å; V555-V559 HydrophobicContact CG1-CG1 4.14Å; V555-L560 HydrophobicContact CG2-CB 4.03Å; V555-L563 HydrophobicContact CG2-CD1 4.48Å
556	S	88.6	Confident	90.6	Very high	69 Å²	69	58.7 Å²	58.7	48%	0.483	33%	0.326	S	S	.	.			trans	-64.7	154.8	175.1	71	0	0	0	0	111.5	H558 V559 L560	S556-H558 PolarHBondContact O-N 2.79Å; S556-H558 VanDerWaalsContact O-N 3.14Å; S556-V559 PolarHBondContact O-N 3.01Å; S556-V559 WeakPolarHBondContact OG-CG2 3.46Å; S556-V559 PolarHBondContact OG-N 2.92Å; S556-L560 PolarHBondContact O-N 3.01Å
557	S	87.3	Confident	90.5	Very high	41 Å²	41	59 Å²	59	29%	0.287	33%	0.327	S	S	.	.	H	α-helix	trans	-55.2	-33.6	177.9	-52.2	0	0	0	0	112.7	V396 G561	V396-S557 VanDerWaalsContact CG1-O 3.31Å; V396-S557 WeakPolarHBondContact CG1-O 3.45Å; S557-G561 PolarHBondContact O-N 3.28Å
558	H	88.6	Confident	90.5	Very high	74 Å²	74	59.5 Å²	59.5	34%	0.343	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-49.3	175.6	-176.3	85.7	0	0	0	111.9	E389 S556 L560 G561 K562	E389-H558 IonicContact OE1-CE1 2.74Å; E389-H558 IonicContact OE2-CE1 3.6Å; S556-H558 PolarHBondContact O-N 2.79Å; S556-H558 VanDerWaalsContact O-N 3.14Å; H558-L560 VanDerWaalsContact C-N 3.35Å; H558-L560 PolarHBondContact O-N 3.28Å; H558-G561 PolarHBondContact O-N 2.69Å; H558-K562 WeakPolarHBondContact NE2-CE 3.29Å; H558-K562 PolarHBondContact O-N 2.95Å; H558-K562 VanDerWaalsContact O-N 3.09Å
559	V	90.9	Very high	90.4	Very high	64 Å²	64	57.5 Å²	57.5	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-41.8	178.2	174.4	0	0	0	0	110.7	V555 S556 G561 K562 L563	V555-V559 HydrophobicContact CB-CB 4.2Å; V555-V559 HydrophobicContact CB-CG1 4.03Å; V555-V559 HydrophobicContact CG1-CG1 4.14Å; S556-V559 PolarHBondContact O-N 3.01Å; S556-V559 WeakPolarHBondContact OG-CG2 3.46Å; S556-V559 PolarHBondContact OG-N 2.92Å; V559-G561 VanDerWaalsContact C-N 3.29Å; V559-G561 PolarHBondContact O-N 3.12Å; V559-K562 PolarHBondContact O-N 3.4Å; V559-K562 VanDerWaalsContact O-N 3.16Å; V559-L563 HydrophobicContact CG1-CD1 4.07Å; V559-L563 HydrophobicContact CG1-CG 4.32Å; V559-L563 WeakPolarHBondContact O-CG 3.25Å; V559-L563 PolarHBondContact O-N 3.49Å
560	L	92.3	Very high	90.5	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-44.1	173.6	-179.7	59.3	0	0	0	111.3	V396 T400 M549 V555 S556 H558 K562 L563 L564	V396-L560 HydrophobicContact CG1-CB 4.07Å; V396-L560 HydrophobicContact CG1-CD2 3.75Å; V396-L560 HydrophobicContact CG1-CG 3.91Å; T400-L560 HydrophobicContact CG2-CD2 3.53Å; M549-L560 HydrophobicContact CB-CD1 3.93Å; V555-L560 HydrophobicContact CG2-CB 4.03Å; S556-L560 PolarHBondContact O-N 3.01Å; H558-L560 VanDerWaalsContact C-N 3.35Å; H558-L560 PolarHBondContact O-N 3.28Å; L560-K562 PolarHBondContact O-N 3.33Å; L560-L563 PolarHBondContact O-N 2.9Å; L560-L564 HydrophobicContact CD1-CD1 4.19Å; L560-L564 HydrophobicContact CD1-CG 4.07Å; L560-L564 HydrophobicContact CG-CD1 4Å; L560-L564 HydrophobicContact CG-CG 4.33Å; L560-L564 WeakPolarHBondContact O-CB 3.29Å; L560-L564 VanDerWaalsContact O-CG 3.28Å; L560-L564 WeakPolarHBondContact O-CG 3.25Å; L560-L564 PolarHBondContact O-N 3.09Å
561	G	91.8	Very high	90.7	Very high	16 Å²	16	58 Å²	58	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-57	-45.9	174.7	0	0	0	0	0	113	V396 S557 H558 V559 L564 Y565	V396-G561 VanDerWaalsContact CG2-CA 3.49Å; S557-G561 PolarHBondContact O-N 3.28Å; H558-G561 PolarHBondContact O-N 2.69Å; V559-G561 VanDerWaalsContact C-N 3.29Å; V559-G561 PolarHBondContact O-N 3.12Å; G561-L564 PolarHBondContact O-N 3.33Å; G561-Y565 WeakPolarHBondContact O-CB 3.42Å; G561-Y565 PolarHBondContact O-N 2.72Å
562	K	91.4	Very high	91	Very high	107 Å²	107	55 Å²	55	47%	0.465	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-39.3	177.2	-59.9	-65.5	-178.1	179	0	112.1	E389 H558 V559 L560 Y565 A566	E389-K562 IonicContact OE1-NZ 2.68Å; E389-K562 PolarHBondContact OE1-NZ 3.06Å; H558-K562 WeakPolarHBondContact NE2-CE 3.29Å; H558-K562 PolarHBondContact O-N 2.95Å; H558-K562 VanDerWaalsContact O-N 3.09Å; V559-K562 PolarHBondContact O-N 3.4Å; V559-K562 VanDerWaalsContact O-N 3.16Å; L560-K562 PolarHBondContact O-N 3.33Å; K562-Y565 PolarHBondContact O-N 3.17Å; K562-A566 WeakPolarHBondContact O-CB 3.29Å; K562-A566 PolarHBondContact O-N 3.45Å
563	L	93.4	Very high	91.4	Very high	72 Å²	72	52.2 Å²	52.2	38%	0.377	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-45.4	176.7	-71.2	173.3	0	0	0	112.1	M549 V555 V559 L560 Y565 A566 L567	M549-L563 HydrophobicContact SD-CB 4.14Å; V555-L563 HydrophobicContact CG2-CD1 4.48Å; V559-L563 HydrophobicContact CG1-CD1 4.07Å; V559-L563 HydrophobicContact CG1-CG 4.32Å; V559-L563 WeakPolarHBondContact O-CG 3.25Å; V559-L563 PolarHBondContact O-N 3.49Å; L560-L563 PolarHBondContact O-N 2.9Å; L563-Y565 VanDerWaalsContact C-N 3.32Å; L563-Y565 PolarHBondContact O-N 3.18Å; L563-A566 PolarHBondContact O-N 2.92Å; L563-L567 WeakPolarHBondContact O-CB 3.41Å; L563-L567 PolarHBondContact O-N 2.87Å
564	L	95	Very high	92.3	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-41.9	175.6	-70.9	173.7	0	0	0	111.1	L399 L443 L444 I546 M549 L560 G561 L567 K568	L399-L564 HydrophobicContact CD2-CD1 3.87Å; L443-L564 HydrophobicContact CD2-CD1 4.29Å; L444-L564 HydrophobicContact CD2-CD1 4.11Å; L444-L564 HydrophobicContact CD2-CD2 3.99Å; L444-L564 HydrophobicContact CD2-CG 4.48Å; I546-L564 HydrophobicContact CG1-CD2 4.14Å; I546-L564 HydrophobicContact CG2-CD2 4.19Å; M549-L564 HydrophobicContact SD-CD2 4.22Å; L560-L564 HydrophobicContact CD1-CD1 4.19Å; L560-L564 HydrophobicContact CD1-CG 4.07Å; L560-L564 HydrophobicContact CG-CD1 4Å; L560-L564 HydrophobicContact CG-CG 4.33Å; L560-L564 WeakPolarHBondContact O-CB 3.29Å; L560-L564 VanDerWaalsContact O-CG 3.28Å; L560-L564 WeakPolarHBondContact O-CG 3.25Å; L560-L564 PolarHBondContact O-N 3.09Å; G561-L564 PolarHBondContact O-N 3.33Å; L564-L567 PolarHBondContact O-N 3.5Å; L564-K568 WeakPolarHBondContact O-CB 3.32Å; L564-K568 PolarHBondContact O-N 3.13Å
565	Y	92.6	Very high	93	Very high	96 Å²	96	43.7 Å²	43.7	38%	0.376	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-48.7	175.4	178.6	-96.6	0	0	0	111.9	D328 G561 K562 L563 L567 K568 Q569	D328-Y565 PolarHBondContact OD2-OH 3.43Å; G561-Y565 WeakPolarHBondContact O-CB 3.42Å; G561-Y565 PolarHBondContact O-N 2.72Å; K562-Y565 PolarHBondContact O-N 3.17Å; L563-Y565 VanDerWaalsContact C-N 3.32Å; L563-Y565 PolarHBondContact O-N 3.18Å; Y565-L567 VanDerWaalsContact C-N 3.31Å; Y565-L567 PolarHBondContact O-N 3.48Å; Y565-K568 WeakPolarHBondContact O-CB 3.33Å; Y565-K568 PolarHBondContact O-N 2.95Å; Y565-K568 VanDerWaalsContact O-N 3.16Å; Y565-Q569 HydrophobicContact CD1-CG 4.28Å; Y565-Q569 HydrophobicContact CE1-CG 3.94Å; Y565-Q569 VanDerWaalsContact CE2-NE2 3.33Å; Y565-Q569 VanDerWaalsContact CZ-NE2 3.34Å; Y565-Q569 WeakPolarHBondContact O-CG 3.42Å; Y565-Q569 PolarHBondContact O-N 2.75Å; Y565-Q569 PolarHBondContact OH-NE2 3.2Å
566	A	92.6	Very high	93.3	Very high	57 Å²	57	42.7 Å²	42.7	47%	0.471	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-41.5	177.3	0	0	0	0	0	112	K562 L563 Q569 E570	K562-A566 WeakPolarHBondContact O-CB 3.29Å; K562-A566 PolarHBondContact O-N 3.45Å; L563-A566 PolarHBondContact O-N 2.92Å; A566-Q569 PolarHBondContact O-N 3.13Å; A566-E570 PolarHBondContact O-N 3.33Å
567	L	95.6	Very high	93.6	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-44.1	174.9	-177	61.4	0	0	0	111.4	L542 K545 I546 M549 L563 L564 Y565 Q569 E570 W571	L542-L567 HydrophobicContact CD1-CD1 4.09Å; L542-L567 HydrophobicContact CD1-CD2 3.53Å; L542-L567 HydrophobicContact CD1-CG 3.55Å; K545-L567 HydrophobicContact CB-CD1 4.45Å; K545-L567 HydrophobicContact CB-CD2 3.85Å; K545-L567 HydrophobicContact CD-CD1 3.59Å; I546-L567 HydrophobicContact CG1-CD2 3.84Å; M549-L567 HydrophobicContact CE-CB 4.24Å; M549-L567 HydrophobicContact CE-CD2 3.78Å; M549-L567 HydrophobicContact CE-CG 4.45Å; M549-L567 HydrophobicContact SD-CD2 3.88Å; L563-L567 WeakPolarHBondContact O-CB 3.41Å; L563-L567 PolarHBondContact O-N 2.87Å; L564-L567 PolarHBondContact O-N 3.5Å; Y565-L567 VanDerWaalsContact C-N 3.31Å; Y565-L567 PolarHBondContact O-N 3.48Å; L567-Q569 VanDerWaalsContact C-N 3.3Å; L567-Q569 PolarHBondContact O-N 2.95Å; L567-E570 WeakPolarHBondContact O-CB 3.42Å; L567-E570 PolarHBondContact O-N 3.42Å; L567-W571 PolarHBondContact O-N 2.88Å; L567-W571 VanDerWaalsContact O-N 3.16Å
568	K	95.2	Very high	94	Very high	21 Å²	21	40.8 Å²	40.8	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-56.1	-45.7	173.6	-179.5	177.9	61.4	163.2	0	111.1	D330 L445 L564 Y565 E570 W571 V572 W613	D330-K568 IonicContact OD2-NZ 3.71Å; D330-K568 PolarHBondContact OD2-NZ 3.09Å; L445-K568 WeakPolarHBondContact O-CD 3.48Å; L564-K568 WeakPolarHBondContact O-CB 3.32Å; L564-K568 PolarHBondContact O-N 3.13Å; Y565-K568 WeakPolarHBondContact O-CB 3.33Å; Y565-K568 PolarHBondContact O-N 2.95Å; Y565-K568 VanDerWaalsContact O-N 3.16Å; K568-E570 PolarHBondContact O-N 2.9Å; K568-W571 PolarHBondContact O-N 3.16Å; K568-V572 HydrophobicContact CG-CG2 4.4Å; K568-V572 WeakPolarHBondContact O-CG2 3.22Å; K568-V572 PolarHBondContact O-N 2.85Å; K568-W613 HydrophobicContact CG-CH2 4.16Å; K568-W613 HydrophobicContact CG-CZ3 4.2Å
569	Q	93.2	Very high	94.2	Very high	25 Å²	25	38.9 Å²	38.9	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-40	177.5	-62.9	-54.9	-31.2	0	0	112.8	D328 Y565 A566 L567 W571 V572 N573	D328-Q569 PolarHBondContact OD2-NE2 2.66Å; Y565-Q569 HydrophobicContact CD1-CG 4.28Å; Y565-Q569 HydrophobicContact CE1-CG 3.94Å; Y565-Q569 VanDerWaalsContact CE2-NE2 3.33Å; Y565-Q569 VanDerWaalsContact CZ-NE2 3.34Å; Y565-Q569 WeakPolarHBondContact O-CG 3.42Å; Y565-Q569 PolarHBondContact O-N 2.75Å; Y565-Q569 PolarHBondContact OH-NE2 3.2Å; A566-Q569 PolarHBondContact O-N 3.13Å; L567-Q569 VanDerWaalsContact C-N 3.3Å; L567-Q569 PolarHBondContact O-N 2.95Å; Q569-W571 VanDerWaalsContact C-N 3.26Å; Q569-W571 PolarHBondContact O-N 2.95Å; Q569-V572 PolarHBondContact O-N 2.97Å; Q569-N573 VanDerWaalsContact O-CG 3.32Å; Q569-N573 PolarHBondContact O-N 2.91Å; Q569-N573 PolarHBondContact O-ND2 2.77Å
570	E	95.1	Very high	94.3	Very high	72 Å²	72	37.2 Å²	37.2	34%	0.336	19%	0.192	S	C	.	.	H	α-helix	trans	-54.2	-45.8	173.8	-168.2	-158.5	146.9	0	0	110.7	K545 A566 L567 K568 N573 K574	K545-E570 IonicContact NZ-OE1 3.58Å; K545-E570 PolarHBondContact NZ-OE1 2.69Å; K545-E570 IonicContact NZ-OE2 2.71Å; K545-E570 PolarHBondContact NZ-OE2 2.82Å; K545-E570 VanDerWaalsContact NZ-OE2 3.08Å; A566-E570 PolarHBondContact O-N 3.33Å; L567-E570 WeakPolarHBondContact O-CB 3.42Å; L567-E570 PolarHBondContact O-N 3.42Å; K568-E570 PolarHBondContact O-N 2.9Å; E570-N573 PolarHBondContact O-N 2.82Å; E570-K574 WeakPolarHBondContact O-CG 3.4Å; E570-K574 PolarHBondContact O-N 3.01Å; E570-K574 WeakPolarHBondContact OE1-CE 3.3Å; E570-K574 IonicContact OE1-NZ 3.79Å; E570-K574 PolarHBondContact OE1-NZ 2.97Å
571	W	97.3	Very high	94.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-77.4	-34.9	-176.7	-77.6	73.9	0	0	0	113.6	A541 L542 L567 K568 Q569 N573 K574 A575 D606 L609 V610 W613	A541-W571 HydrophobicContact CB-CH2 4.16Å; A541-W571 HydrophobicContact CB-CZ2 4Å; L542-W571 HydrophobicContact CB-CD2 3.82Å; L542-W571 HydrophobicContact CB-CE3 4.04Å; L542-W571 HydrophobicContact CB-CH2 3.68Å; L542-W571 HydrophobicContact CB-CZ2 3.46Å; L542-W571 VanDerWaalsContact CB-CZ2 3.46Å; L542-W571 HydrophobicContact CB-CZ3 3.97Å; L542-W571 HydrophobicContact CD1-CD2 4.22Å; L542-W571 HydrophobicContact CD1-CG 4.09Å; L542-W571 HydrophobicContact CD2-CB 4.32Å; L542-W571 HydrophobicContact CD2-CD2 3.84Å; L542-W571 HydrophobicContact CD2-CE3 4.1Å; L542-W571 HydrophobicContact CD2-CG 3.92Å; L542-W571 HydrophobicContact CG-CD2 4.16Å; L542-W571 HydrophobicContact CG-CG 4.4Å; L567-W571 PolarHBondContact O-N 2.88Å; L567-W571 VanDerWaalsContact O-N 3.16Å; K568-W571 PolarHBondContact O-N 3.16Å; Q569-W571 VanDerWaalsContact C-N 3.26Å; Q569-W571 PolarHBondContact O-N 2.95Å; W571-N573 PolarHBondContact O-N 3.39Å; W571-K574 HydrophobicContact CD2-CD 4.37Å; W571-K574 WeakPolarHBondContact O-CB 3.48Å; W571-K574 PolarHBondContact O-N 3.13Å; W571-K574 VanDerWaalsContact O-N 3.14Å; W571-A575 PolarHBondContact O-N 3.45Å; W571-D606 HydrophobicContact CH2-CB 3.93Å; W571-D606 WeakPolarHBondContact CH2-OD1 3.36Å; W571-D606 HydrophobicContact CZ3-CB 3.99Å; W571-L609 HydrophobicContact CE3-CD2 3.61Å; W571-L609 HydrophobicContact CZ3-CD1 4.26Å; W571-L609 HydrophobicContact CZ3-CD2 3.85Å; W571-V610 HydrophobicContact CE3-CG2 3.89Å; W571-V610 HydrophobicContact CZ3-CG2 4.05Å; W571-W613 HydrophobicContact CB-CE3 3.99Å; W571-W613 HydrophobicContact CB-CH2 4Å; W571-W613 HydrophobicContact CB-CZ3 3.43Å; W571-W613 VanDerWaalsContact CB-CZ3 3.43Å
572	V	95.9	Very high	94.2	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-41	168.5	168.9	0	0	0	0	110.6	Q329 P446 K568 Q569 K574 A575 K576 W613 L617	Q329-V572 HydrophobicContact CB-CG1 3.96Å; Q329-V572 HydrophobicContact CG-CG1 3.61Å; P446-V572 HydrophobicContact CB-CG2 3.98Å; P446-V572 HydrophobicContact CG-CG2 3.67Å; K568-V572 HydrophobicContact CG-CG2 4.4Å; K568-V572 WeakPolarHBondContact O-CG2 3.22Å; K568-V572 PolarHBondContact O-N 2.85Å; Q569-V572 PolarHBondContact O-N 2.97Å; V572-K574 VanDerWaalsContact C-N 3.34Å; V572-K574 PolarHBondContact O-N 3.35Å; V572-A575 WeakPolarHBondContact O-CB 3.47Å; V572-A575 PolarHBondContact O-N 3.35Å; V572-A575 VanDerWaalsContact O-N 3.16Å; V572-K576 WeakPolarHBondContact O-CG 3.33Å; V572-K576 PolarHBondContact O-N 3.22Å; V572-W613 HydrophobicContact CG2-CE3 3.97Å; V572-W613 HydrophobicContact CG2-CZ3 3.92Å; V572-L617 HydrophobicContact CG1-CD2 4.34Å
573	N	94.8	Very high	94.1	Very high	83 Å²	83	37.5 Å²	37.5	44%	0.444	19%	0.193	S	C	.	.	H	α-helix	trans	-66.6	-34.9	176.9	-71.1	-28.1	0	0	0	112.6	Q569 E570 W571 A575 K576 L577	Q569-N573 VanDerWaalsContact O-CG 3.32Å; Q569-N573 PolarHBondContact O-N 2.91Å; Q569-N573 PolarHBondContact O-ND2 2.77Å; E570-N573 PolarHBondContact O-N 2.82Å; W571-N573 PolarHBondContact O-N 3.39Å; N573-A575 VanDerWaalsContact C-N 3.33Å; N573-K576 PolarHBondContact O-N 3.4Å; N573-K576 PolarHBondContact OD1-NZ 2.93Å; N573-L577 PolarHBondContact O-N 3.24Å
574	K	96.7	Very high	93.7	Very high	30 Å²	30	38.7 Å²	38.7	13%	0.13	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-37.8	171.2	-63.7	179.6	-164	-68.5	0	111.8	E570 W571 V572 L577 L578 W596 T600 V610	E570-K574 WeakPolarHBondContact O-CG 3.4Å; E570-K574 PolarHBondContact O-N 3.01Å; E570-K574 WeakPolarHBondContact OE1-CE 3.3Å; E570-K574 IonicContact OE1-NZ 3.79Å; E570-K574 PolarHBondContact OE1-NZ 2.97Å; W571-K574 HydrophobicContact CD2-CD 4.37Å; W571-K574 WeakPolarHBondContact O-CB 3.48Å; W571-K574 PolarHBondContact O-N 3.13Å; W571-K574 VanDerWaalsContact O-N 3.14Å; V572-K574 VanDerWaalsContact C-N 3.34Å; V572-K574 PolarHBondContact O-N 3.35Å; K574-L577 PolarHBondContact O-N 2.86Å; K574-L578 PolarHBondContact O-N 3.38Å; K574-W596 HydrophobicContact CB-CZ2 4.02Å; K574-W596 PolarHBondContact O-NE1 2.89Å; K574-T600 HydrophobicContact CB-CG2 4.42Å; K574-T600 HydrophobicContact CG-CG2 4.15Å; K574-V610 HydrophobicContact CB-CG2 4.47Å
575	A	96.6	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-43.8	174.6	0	0	0	0	0	113.2	W571 V572 N573 L577 L578 Y579 V610 W613 Q614	W571-A575 PolarHBondContact O-N 3.45Å; V572-A575 WeakPolarHBondContact O-CB 3.47Å; V572-A575 PolarHBondContact O-N 3.35Å; V572-A575 VanDerWaalsContact O-N 3.16Å; N573-A575 VanDerWaalsContact C-N 3.33Å; A575-L577 VanDerWaalsContact C-N 3.29Å; A575-L577 PolarHBondContact O-N 3.13Å; A575-L578 PolarHBondContact O-N 2.82Å; A575-Y579 WeakPolarHBondContact O-CB 3.34Å; A575-Y579 PolarHBondContact O-N 3.07Å; A575-V610 HydrophobicContact CB-CG1 3.79Å; A575-W613 HydrophobicContact CB-CB 3.89Å; A575-Q614 HydrophobicContact CB-CG 4.39Å
576	K	94.9	Very high	92.1	Very high	40 Å²	40	43.2 Å²	43.2	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-45.9	171.4	-72.7	178.7	-176.7	167.8	0	111.6	Q329 V572 N573 Y579 A580 L617 F621	Q329-K576 VanDerWaalsContact CD-CE 3.47Å; Q329-K576 HydrophobicContact CG-CD 4.46Å; V572-K576 WeakPolarHBondContact O-CG 3.33Å; V572-K576 PolarHBondContact O-N 3.22Å; N573-K576 PolarHBondContact O-N 3.4Å; N573-K576 PolarHBondContact OD1-NZ 2.93Å; K576-Y579 PolarHBondContact O-N 3.12Å; K576-A580 WeakPolarHBondContact O-CB 3.28Å; K576-A580 PolarHBondContact O-N 3.31Å; K576-L617 HydrophobicContact CG-CD1 4.48Å; K576-L617 HydrophobicContact CG-CD2 3.75Å; K576-F621 HydrophobicContact CB-CE1 4.01Å; K576-F621 HydrophobicContact CB-CE2 4.26Å; K576-F621 HydrophobicContact CB-CZ 3.59Å; K576-F621 HydrophobicContact CD-CE2 4.08Å; K576-F621 HydrophobicContact CD-CZ 4.19Å; K576-F621 HydrophobicContact CG-CD1 4.4Å; K576-F621 HydrophobicContact CG-CE1 3.87Å; K576-F621 HydrophobicContact CG-CE2 4.09Å; K576-F621 HydrophobicContact CG-CZ 3.69Å
577	L	95.1	Very high	91	Very high	67 Å²	67	45.4 Å²	45.4	35%	0.351	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-45.8	179.9	-175.3	63.1	0	0	0	111.6	N573 K574 A575 Y579 A580 M581 A599 T600	N573-L577 PolarHBondContact O-N 3.24Å; K574-L577 PolarHBondContact O-N 2.86Å; A575-L577 VanDerWaalsContact C-N 3.29Å; A575-L577 PolarHBondContact O-N 3.13Å; L577-Y579 VanDerWaalsContact C-N 3.3Å; L577-Y579 PolarHBondContact O-N 3.03Å; L577-A580 PolarHBondContact O-N 2.71Å; L577-M581 HydrophobicContact CD1-CE 3.88Å; L577-M581 HydrophobicContact CD2-CE 4.22Å; L577-M581 HydrophobicContact CG-CE 3.98Å; L577-M581 HydrophobicContact CG-SD 4.48Å; L577-M581 WeakPolarHBondContact O-CG 3.47Å; L577-M581 PolarHBondContact O-N 3.34Å; L577-A599 HydrophobicContact CD2-CB 4.42Å; L577-T600 HydrophobicContact CD2-CG2 3.88Å
578	L	94.6	Very high	90.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-44.8	176.2	-172	61.8	0	0	0	110.2	K574 A575 A580 M581 T582 V592 W596 E607 V610 K611 Q614	K574-L578 PolarHBondContact O-N 3.38Å; A575-L578 PolarHBondContact O-N 2.82Å; L578-A580 PolarHBondContact O-N 3.49Å; L578-M581 PolarHBondContact O-N 3.39Å; L578-T582 PolarHBondContact O-N 3.4Å; L578-T582 PolarHBondContact O-OG1 2.93Å; L578-V592 HydrophobicContact CD1-CG1 3.94Å; L578-W596 HydrophobicContact CB-CD2 4.47Å; L578-W596 HydrophobicContact CB-CG 4.25Å; L578-W596 HydrophobicContact CD1-CB 3.84Å; L578-W596 HydrophobicContact CD1-CD2 3.95Å; L578-W596 HydrophobicContact CD1-CG 3.6Å; L578-W596 HydrophobicContact CG-CG 4.47Å; L578-E607 HydrophobicContact CD2-CG 4.45Å; L578-V610 HydrophobicContact CB-CG1 4.13Å; L578-V610 HydrophobicContact CD2-CB 4.49Å; L578-V610 HydrophobicContact CD2-CG1 3.82Å; L578-K611 HydrophobicContact CD2-CG 4Å; L578-Q614 VanDerWaalsContact CG-NE2 3.28Å
579	Y	93.9	Very high	89.9	Confident	35 Å²	35	53.8 Å²	53.8	14%	0.137	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-47.1	-178.3	-176.6	-90.2	0	0	0	111.5	A575 K576 L577 M581 T582 K583 Q614 L617 F621 K622 V625	A575-Y579 WeakPolarHBondContact O-CB 3.34Å; A575-Y579 PolarHBondContact O-N 3.07Å; K576-Y579 PolarHBondContact O-N 3.12Å; L577-Y579 VanDerWaalsContact C-N 3.3Å; L577-Y579 PolarHBondContact O-N 3.03Å; Y579-M581 PolarHBondContact O-N 3.07Å; Y579-T582 PolarHBondContact O-N 3.06Å; Y579-K583 HydrophobicContact CD1-CG 4.36Å; Y579-K583 HydrophobicContact CE1-CG 3.94Å; Y579-K583 WeakPolarHBondContact O-CG 3.32Å; Y579-K583 PolarHBondContact O-N 3.36Å; Y579-K583 VanDerWaalsContact O-N 3.1Å; Y579-Q614 HydrophobicContact CD2-CB 4.4Å; Y579-L617 HydrophobicContact CD2-CD1 4.37Å; Y579-L617 HydrophobicContact CG-CD1 4.01Å; Y579-F621 AromaticContact CD1-CE1 3.97Å; Y579-F621 HydrophobicContact CD1-CE1 3.97Å; Y579-K622 HydrophobicContact CE1-CB 4.21Å; Y579-K622 HydrophobicContact CE1-CG 3.99Å; Y579-K622 HydrophobicContact CE2-CG 4.17Å; Y579-V625 HydrophobicContact CD1-CB 4.31Å; Y579-V625 HydrophobicContact CD1-CG1 4.09Å; Y579-V625 HydrophobicContact CD1-CG2 4.29Å; Y579-V625 HydrophobicContact CE1-CB 4.05Å; Y579-V625 HydrophobicContact CE1-CG1 3.98Å; Y579-V625 HydrophobicContact CE1-CG2 4.44Å
580	A	91.6	Very high	89.6	Confident	29 Å²	29	55.9 Å²	55.9	24%	0.24	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-44.8	176.8	0	0	0	0	0	112	K576 L577 L578 K583 Q584 V625	K576-A580 WeakPolarHBondContact O-CB 3.28Å; K576-A580 PolarHBondContact O-N 3.31Å; L577-A580 PolarHBondContact O-N 2.71Å; L578-A580 PolarHBondContact O-N 3.49Å; A580-K583 PolarHBondContact O-N 2.94Å; A580-Q584 VanDerWaalsContact O-CB 3.3Å; A580-Q584 WeakPolarHBondContact O-CB 3.31Å; A580-Q584 PolarHBondContact O-N 3.28Å; A580-V625 HydrophobicContact CB-CG1 4.38Å; A580-V625 HydrophobicContact CB-CG2 4.43Å
581	M	92.1	Very high	89.3	Confident	31 Å²	31	54.1 Å²	54.1	15%	0.153	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-44.8	177.1	-71.5	-173.1	175.8	0	0	112.1	L577 L578 Y579 K583 Q584 F585 V592 W596 A599	L577-M581 HydrophobicContact CD1-CE 3.88Å; L577-M581 HydrophobicContact CD2-CE 4.22Å; L577-M581 HydrophobicContact CG-CE 3.98Å; L577-M581 HydrophobicContact CG-SD 4.48Å; L577-M581 WeakPolarHBondContact O-CG 3.47Å; L577-M581 PolarHBondContact O-N 3.34Å; L578-M581 PolarHBondContact O-N 3.39Å; Y579-M581 PolarHBondContact O-N 3.07Å; M581-K583 VanDerWaalsContact C-N 3.3Å; M581-K583 PolarHBondContact O-N 3.37Å; M581-Q584 PolarHBondContact O-N 3.23Å; M581-F585 HydrophobicContact CB-CD2 4.31Å; M581-F585 VanDerWaalsContact O-CD2 3.28Å; M581-F585 WeakPolarHBondContact O-CD2 3.42Å; M581-F585 PolarHBondContact O-N 3.28Å; M581-V592 HydrophobicContact CB-CG1 3.81Å; M581-W596 HydrophobicContact SD-CB 3.92Å; M581-A599 HydrophobicContact CE-CB 4.42Å
582	T	91.2	Very high	89	Confident	37 Å²	37	54.1 Å²	54.1	23%	0.227	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-43.8	178.3	-58.9	0	0	0	0	111.5	L578 Y579 N587	L578-T582 PolarHBondContact O-N 3.4Å; L578-T582 PolarHBondContact O-OG1 2.93Å; Y579-T582 PolarHBondContact O-N 3.06Å; T582-N587 WeakPolarHBondContact CG2-OD1 3.41Å; T582-N587 PolarHBondContact O-N 3.3Å; T582-N587 PolarHBondContact O-OD1 2.95Å
583	K	88.9	Confident	88.9	Confident	69 Å²	69	54.3 Å²	54.3	30%	0.3	29%	0.289	S	S	.	.	H	α-helix	trans	-71.2	-35.5	177.7	-64.4	-52.7	-175	-176.1	0	113.3	Y579 A580 M581 V625 M626	Y579-K583 HydrophobicContact CD1-CG 4.36Å; Y579-K583 HydrophobicContact CE1-CG 3.94Å; Y579-K583 WeakPolarHBondContact O-CG 3.32Å; Y579-K583 PolarHBondContact O-N 3.36Å; Y579-K583 VanDerWaalsContact O-N 3.1Å; A580-K583 PolarHBondContact O-N 2.94Å; M581-K583 VanDerWaalsContact C-N 3.3Å; M581-K583 PolarHBondContact O-N 3.37Å; K583-V625 HydrophobicContact CB-CG1 3.92Å; K583-V625 HydrophobicContact CG-CG1 4.15Å; K583-M626 HydrophobicContact CB-SD 4.49Å; K583-M626 HydrophobicContact CD-SD 3.76Å; K583-M626 HydrophobicContact CG-SD 4.01Å
584	Q	84.1	Confident	88.7	Confident	97 Å²	97	54.2 Å²	54.2	45%	0.453	29%	0.291	S	S	.	.	H	α-helix	trans	-72.5	-35.9	-179.4	-172.1	-179.5	-6	0	0	113.3	A580 M581	A580-Q584 VanDerWaalsContact O-CB 3.3Å; A580-Q584 WeakPolarHBondContact O-CB 3.31Å; A580-Q584 PolarHBondContact O-N 3.28Å; M581-Q584 PolarHBondContact O-N 3.23Å
585	F	80.4	Confident	88.5	Confident	78 Å²	78	57 Å²	57	34%	0.342	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	28.1	-175.3	-68.4	-74.6	0	0	0	113.6	M581 N587 D588 V592 K595	M581-F585 HydrophobicContact CB-CD2 4.31Å; M581-F585 VanDerWaalsContact O-CD2 3.28Å; M581-F585 WeakPolarHBondContact O-CD2 3.42Å; M581-F585 PolarHBondContact O-N 3.28Å; F585-N587 PolarHBondContact O-N 3.28Å; F585-D588 PolarHBondContact O-N 3.36Å; F585-D588 VanDerWaalsContact O-N 3.15Å; F585-V592 HydrophobicContact CB-CG2 3.63Å; F585-V592 HydrophobicContact CD2-CG2 4.02Å; F585-V592 HydrophobicContact CG-CG2 4.18Å; F585-K595 HydrophobicContact CE2-CD 4.45Å; F585-K595 HydrophobicContact CZ-CD 4.34Å
586	N	74.6	Confident	88.4	Confident	121 Å²	121	57 Å²	57	65%	0.647	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	39.3	177.4	-72	-10.2	0	0	0	113.9	D588 Q633	N586-D588 PolarHBondContact O-N 3.37Å; N586-Q633 PolarHBondContact OD1-NE2 3.27Å
587	N	69.6	Low	88.4	Confident	103 Å²	103	58.8 Å²	58.8	55%	0.551	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	28.2	178.5	-52.4	-32.5	0	0	0	116.5	T582 F585 E589	T582-N587 WeakPolarHBondContact CG2-OD1 3.41Å; T582-N587 PolarHBondContact O-N 3.3Å; T582-N587 PolarHBondContact O-OD1 2.95Å; F585-N587 PolarHBondContact O-N 3.28Å; N587-E589 PolarHBondContact O-N 3.49Å
588	D	83.1	Confident	88.4	Confident	89 Å²	89	62.6 Å²	62.6	48%	0.476	33%	0.329	S	S	.	.			trans	-68.3	84.3	161.2	-179.7	7.4	0	0	0	109.6	F585 N586 A590 S591 V592	F585-D588 PolarHBondContact O-N 3.36Å; F585-D588 VanDerWaalsContact O-N 3.15Å; N586-D588 PolarHBondContact O-N 3.37Å; D588-A590 VanDerWaalsContact C-N 3.3Å; D588-A590 PolarHBondContact O-N 3.47Å; D588-S591 PolarHBondContact O-N 3.32Å; D588-S591 PolarHBondContact OD1-N 2.99Å; D588-S591 WeakPolarHBondContact OD2-CB 3.18Å; D588-V592 WeakPolarHBondContact O-CB 3.37Å; D588-V592 VanDerWaalsContact O-CG2 3.24Å; D588-V592 WeakPolarHBondContact O-CG2 3.2Å; D588-V592 PolarHBondContact O-N 3.34Å
589	E	84.8	Confident	88.3	Confident	116 Å²	116	65.5 Å²	65.5	54%	0.542	35%	0.353	S	S	.	.	H	α-helix	trans	-57.1	-43.3	-171.4	-170.5	175.7	-178.9	0	0	111.5	N587 S591 V592 S593 K611	N587-E589 PolarHBondContact O-N 3.49Å; E589-S591 PolarHBondContact O-N 3.17Å; E589-V592 PolarHBondContact O-N 2.92Å; E589-S593 VanDerWaalsContact O-CB 3.27Å; E589-S593 WeakPolarHBondContact O-CB 3.41Å; E589-S593 PolarHBondContact O-N 2.96Å; E589-S593 PolarHBondContact O-OG 3.31Å; E589-K611 IonicContact OE1-NZ 2.6Å; E589-K611 PolarHBondContact OE1-NZ 3.49Å
590	A	87.3	Confident	88.3	Confident	70 Å²	70	64.7 Å²	64.7	58%	0.579	35%	0.352	S	S	*	.	H	α-helix	trans	-65.4	-43.7	-177.9	0	0	0	0	0	112.4	D588 T594	D588-A590 VanDerWaalsContact C-N 3.3Å; D588-A590 PolarHBondContact O-N 3.47Å; A590-T594 WeakPolarHBondContact O-CB 3.4Å; A590-T594 PolarHBondContact O-N 3.49Å; A590-T594 VanDerWaalsContact O-N 3.17Å; A590-T594 PolarHBondContact O-OG1 3.38Å
591	S	88.8	Confident	88.4	Confident	34 Å²	34	74.5 Å²	74.5	24%	0.238	38%	0.383	C	S	.	.	H	α-helix	trans	-67.6	-41.8	175.7	178.8	0	0	0	0	111.7	D588 E589 T594 K595	D588-S591 PolarHBondContact O-N 3.32Å; D588-S591 PolarHBondContact OD1-N 2.99Å; D588-S591 WeakPolarHBondContact OD2-CB 3.18Å; E589-S591 PolarHBondContact O-N 3.17Å; S591-T594 PolarHBondContact O-N 2.95Å; S591-K595 WeakPolarHBondContact O-CB 3.41Å; S591-K595 WeakPolarHBondContact O-CG 3.39Å; S591-K595 PolarHBondContact O-N 3.49Å; S591-K595 WeakPolarHBondContact OG-CE 3.48Å; S591-K595 PolarHBondContact OG-NZ 3.33Å
592	V	91.1	Very high	88.5	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.012	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-50	-179.7	168.6	0	0	0	0	110.3	L578 M581 F585 D588 E589 T594 K595 W596	L578-V592 HydrophobicContact CD1-CG1 3.94Å; M581-V592 HydrophobicContact CB-CG1 3.81Å; F585-V592 HydrophobicContact CB-CG2 3.63Å; F585-V592 HydrophobicContact CD2-CG2 4.02Å; F585-V592 HydrophobicContact CG-CG2 4.18Å; D588-V592 WeakPolarHBondContact O-CB 3.37Å; D588-V592 VanDerWaalsContact O-CG2 3.24Å; D588-V592 WeakPolarHBondContact O-CG2 3.2Å; D588-V592 PolarHBondContact O-N 3.34Å; E589-V592 PolarHBondContact O-N 2.92Å; V592-T594 VanDerWaalsContact C-N 3.31Å; V592-T594 PolarHBondContact O-N 3.25Å; V592-K595 PolarHBondContact O-N 3.4Å; V592-W596 VanDerWaalsContact O-CB 3.24Å; V592-W596 WeakPolarHBondContact O-CB 3.37Å; V592-W596 PolarHBondContact O-N 3.38Å
593	S	92.1	Very high	88.6	Confident	8 Å²	8	77.6 Å²	77.6	6%	0.056	39%	0.394	C	S	.	.	H	α-helix	trans	-59.8	-41.4	179.6	-64.7	0	0	0	0	111.7	E589 R597 E607	E589-S593 VanDerWaalsContact O-CB 3.27Å; E589-S593 WeakPolarHBondContact O-CB 3.41Å; E589-S593 PolarHBondContact O-N 2.96Å; E589-S593 PolarHBondContact O-OG 3.31Å; S593-R597 WeakPolarHBondContact O-CB 3.37Å; S593-R597 VanDerWaalsContact O-CG 3.28Å; S593-R597 WeakPolarHBondContact O-CG 3.44Å; S593-R597 PolarHBondContact O-N 3.39Å; S593-E607 VanDerWaalsContact CB-OE1 3.31Å; S593-E607 WeakPolarHBondContact CB-OE1 3.48Å; S593-E607 WeakPolarHBondContact CB-OE2 3.32Å; S593-E607 PolarHBondContact OG-OE1 3.19Å
594	T	91.9	Very high	88.7	Confident	81 Å²	81	81.6 Å²	81.6	50%	0.497	41%	0.413	S	S	.	.	H	α-helix	trans	-65.3	-46.7	177.6	-56.4	0	0	0	0	112.4	A590 S591 V592 R597 L598	A590-T594 WeakPolarHBondContact O-CB 3.4Å; A590-T594 PolarHBondContact O-N 3.49Å; A590-T594 VanDerWaalsContact O-N 3.17Å; A590-T594 PolarHBondContact O-OG1 3.38Å; S591-T594 PolarHBondContact O-N 2.95Å; V592-T594 VanDerWaalsContact C-N 3.31Å; V592-T594 PolarHBondContact O-N 3.25Å; T594-R597 PolarHBondContact OG1-NH2 2.87Å; T594-L598 PolarHBondContact O-N 3.44Å; T594-L598 VanDerWaalsContact O-N 3.1Å
595	K	92.3	Very high	89.1	Confident	89 Å²	89	78.2 Å²	78.2	39%	0.387	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-41.4	177.8	-73.5	172.5	-179.7	161.3	0	111.9	F585 S591 V592 L598 A599	F585-K595 HydrophobicContact CE2-CD 4.45Å; F585-K595 HydrophobicContact CZ-CD 4.34Å; S591-K595 WeakPolarHBondContact O-CB 3.41Å; S591-K595 WeakPolarHBondContact O-CG 3.39Å; S591-K595 PolarHBondContact O-N 3.49Å; S591-K595 WeakPolarHBondContact OG-CE 3.48Å; S591-K595 PolarHBondContact OG-NZ 3.33Å; V592-K595 PolarHBondContact O-N 3.4Å; K595-L598 PolarHBondContact O-N 3.04Å; K595-A599 WeakPolarHBondContact O-CB 3.36Å; K595-A599 PolarHBondContact O-N 3.14Å
596	W	95	Very high	89.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-64.3	-47.9	178.6	177.5	87.5	0	0	0	111.3	K574 L578 M581 V592 L598 A599 T600 C602 E607 V610	K574-W596 HydrophobicContact CB-CZ2 4.02Å; K574-W596 PolarHBondContact O-NE1 2.89Å; L578-W596 HydrophobicContact CB-CD2 4.47Å; L578-W596 HydrophobicContact CB-CG 4.25Å; L578-W596 HydrophobicContact CD1-CB 3.84Å; L578-W596 HydrophobicContact CD1-CD2 3.95Å; L578-W596 HydrophobicContact CD1-CG 3.6Å; L578-W596 HydrophobicContact CG-CG 4.47Å; M581-W596 HydrophobicContact SD-CB 3.92Å; V592-W596 VanDerWaalsContact O-CB 3.24Å; V592-W596 WeakPolarHBondContact O-CB 3.37Å; V592-W596 PolarHBondContact O-N 3.38Å; W596-L598 VanDerWaalsContact C-N 3.29Å; W596-L598 PolarHBondContact O-N 2.93Å; W596-A599 PolarHBondContact O-N 2.85Å; W596-A599 VanDerWaalsContact O-N 3.11Å; W596-T600 HydrophobicContact CD2-CG2 4.16Å; W596-T600 HydrophobicContact CG-CG2 4.33Å; W596-T600 HydrophobicContact CZ2-CG2 4.08Å; W596-T600 PolarHBondContact O-N 2.83Å; W596-T600 PolarHBondContact O-OG1 2.89Å; W596-C602 HydrophobicContact CH2-CB 3.61Å; W596-C602 HydrophobicContact CZ2-CB 4.5Å; W596-C602 HydrophobicContact CZ3-CB 3.64Å; W596-E607 HydrophobicContact CE3-CG 4.46Å; W596-E607 HydrophobicContact CZ3-CB 3.95Å; W596-E607 HydrophobicContact CZ3-CG 4.2Å; W596-V610 HydrophobicContact CH2-CB 4.12Å; W596-V610 HydrophobicContact CH2-CG1 4.34Å; W596-V610 HydrophobicContact CH2-CG2 3.91Å; W596-V610 HydrophobicContact CZ2-CB 4.02Å; W596-V610 HydrophobicContact CZ2-CG1 3.76Å; W596-V610 HydrophobicContact CZ2-CG2 3.84Å
597	R	94.5	Very high	90.7	Very high	76 Å²	76	69.5 Å²	69.5	29%	0.287	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-40.3	176.4	-74.6	-172.2	-59	-105.2	3.9	112.1	S593 T594 R601 C602 E607	S593-R597 WeakPolarHBondContact O-CB 3.37Å; S593-R597 VanDerWaalsContact O-CG 3.28Å; S593-R597 WeakPolarHBondContact O-CG 3.44Å; S593-R597 PolarHBondContact O-N 3.39Å; T594-R597 PolarHBondContact OG1-NH2 2.87Å; R597-R601 VanDerWaalsContact O-CA 3.24Å; R597-R601 WeakPolarHBondContact O-CA 3.44Å; R597-R601 PolarHBondContact O-N 3.31Å; R597-C602 WeakPolarHBondContact CB-O 3.34Å; R597-C602 WeakPolarHBondContact CG-O 3.48Å; R597-C602 PolarHBondContact O-N 3.34Å; R597-E607 IonicContact CZ-OE2 3.24Å; R597-E607 IonicContact NH1-OE2 2.72Å; R597-E607 PolarHBondContact NH1-OE2 2.86Å
598	L	93.9	Very high	91.7	Very high	148 Å²	148	67.1 Å²	67.1	78%	0.775	35%	0.351	S	S	*	.	H	α-helix	trans	-62.7	-44	174.7	-176.5	65.4	0	0	0	112	T594 K595 W596	T594-L598 PolarHBondContact O-N 3.44Å; T594-L598 VanDerWaalsContact O-N 3.1Å; K595-L598 PolarHBondContact O-N 3.04Å; W596-L598 VanDerWaalsContact C-N 3.29Å; W596-L598 PolarHBondContact O-N 2.93Å
599	A	93.2	Very high	92.3	Very high	62 Å²	62	62.9 Å²	62.9	51%	0.512	33%	0.329	S	S	.	.	H	α-helix	trans	-70.8	-38.6	-178.6	0	0	0	0	0	113.2	L577 M581 K595 W596	L577-A599 HydrophobicContact CD2-CB 4.42Å; M581-A599 HydrophobicContact CE-CB 4.42Å; K595-A599 WeakPolarHBondContact O-CB 3.36Å; K595-A599 PolarHBondContact O-N 3.14Å; W596-A599 PolarHBondContact O-N 2.85Å; W596-A599 VanDerWaalsContact O-N 3.11Å
600	T	94	Very high	92.9	Very high	19 Å²	19	57.4 Å²	57.4	12%	0.117	30%	0.303	C	S	.	.	H	α-helix	trans	-93.8	-12	-175.7	60.1	0	0	0	0	114.1	K574 L577 W596 C602	K574-T600 HydrophobicContact CB-CG2 4.42Å; K574-T600 HydrophobicContact CG-CG2 4.15Å; L577-T600 HydrophobicContact CD2-CG2 3.88Å; W596-T600 HydrophobicContact CD2-CG2 4.16Å; W596-T600 HydrophobicContact CG-CG2 4.33Å; W596-T600 HydrophobicContact CZ2-CG2 4.08Å; W596-T600 PolarHBondContact O-N 2.83Å; W596-T600 PolarHBondContact O-OG1 2.89Å; T600-C602 PolarHBondContact O-N 2.86Å; T600-C602 VanDerWaalsContact OG1-CB 3.3Å; T600-C602 WeakPolarHBondContact OG1-CB 3.36Å; T600-C602 PolarHBondContact OG1-N 3.41Å
601	R	93.4	Very high	93.2	Very high	235 Å²	235	57.8 Å²	57.8	89%	0.887	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	27.4	-169.8	-53.7	-179.9	-179.1	-177.4	-0.2	113.2	R597	R597-R601 VanDerWaalsContact O-CA 3.24Å; R597-R601 WeakPolarHBondContact O-CA 3.44Å; R597-R601 PolarHBondContact O-N 3.31Å
602	C	94.2	Very high	93.5	Very high	14 Å²	14	57.8 Å²	57.8	10%	0.095	29%	0.288	C	S	.	.			trans	-89.4	155.3	177.9	-75.8	0	0	0	0	111.8	W596 R597 T600 D606	W596-C602 HydrophobicContact CH2-CB 3.61Å; W596-C602 HydrophobicContact CZ2-CB 4.5Å; W596-C602 HydrophobicContact CZ3-CB 3.64Å; R597-C602 WeakPolarHBondContact CB-O 3.34Å; R597-C602 WeakPolarHBondContact CG-O 3.48Å; R597-C602 PolarHBondContact O-N 3.34Å; T600-C602 PolarHBondContact O-N 2.86Å; T600-C602 VanDerWaalsContact OG1-CB 3.3Å; T600-C602 WeakPolarHBondContact OG1-CB 3.36Å; T600-C602 PolarHBondContact OG1-N 3.41Å; C602-D606 WeakPolarHBondContact CA-OD2 3.36Å; C602-D606 HydrophobicContact CB-CB 3.75Å
603	K	93.3	Very high	93.8	Very high	119 Å²	119	57.9 Å²	57.9	52%	0.517	29%	0.288	S	S	.	.			trans	-98.2	176.8	176	-59.9	-174.7	-176.8	-175.1	0	111.4	E538 P605 D606 E607	E538-K603 WeakPolarHBondContact OE1-CD 3.29Å; E538-K603 IonicContact OE1-NZ 3.93Å; E538-K603 PolarHBondContact OE1-NZ 3.18Å; K603-P605 HydrophobicContact CB-CG 4.23Å; K603-D606 PolarHBondContact N-OD2 2.99Å; K603-D606 WeakPolarHBondContact O-CB 3.47Å; K603-D606 PolarHBondContact O-N 3.28Å; K603-E607 PolarHBondContact O-N 3.45Å
604	E	91.2	Very high	93.9	Very high	152 Å²	152	59 Å²	59	71%	0.71	29%	0.292	S	S	*	.	H	α-helix	trans	-53.6	-46.9	175.7	-170	173.2	-174.9	0	0	114.9	D606 E607 A608	E604-D606 PolarHBondContact O-N 3.08Å; E604-E607 WeakPolarHBondContact O-CB 3.42Å; E604-E607 PolarHBondContact O-N 3.49Å; E604-A608 PolarHBondContact O-N 3.22Å
605	P	92	Very high	93.9	Very high	27 Å²	27	58.1 Å²	58.1	18%	0.175	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-28.6	177.6	23.5	-35.3	0	0	0	113.5	E538 P540 K603 E607	E538-P605 HydrophobicContact CB-CG 4.45Å; E538-P605 HydrophobicContact CG-CG 4.25Å; P540-P605 HydrophobicContact CG-CB 4.26Å; K603-P605 HydrophobicContact CB-CG 4.23Å; P605-E607 VanDerWaalsContact C-N 3.31Å
606	D	96.2	Very high	93.8	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-32.6	176.4	-57.2	-38.8	0	0	0	111.5	P540 A541 W571 C602 K603 E604 L609 V610	P540-D606 VanDerWaalsContact CA-OD1 3.22Å; P540-D606 WeakPolarHBondContact CA-OD1 3.41Å; A541-D606 PolarHBondContact N-OD1 3.28Å; W571-D606 HydrophobicContact CH2-CB 3.93Å; W571-D606 WeakPolarHBondContact CH2-OD1 3.36Å; W571-D606 HydrophobicContact CZ3-CB 3.99Å; C602-D606 WeakPolarHBondContact CA-OD2 3.36Å; C602-D606 HydrophobicContact CB-CB 3.75Å; K603-D606 PolarHBondContact N-OD2 2.99Å; K603-D606 WeakPolarHBondContact O-CB 3.47Å; K603-D606 PolarHBondContact O-N 3.28Å; E604-D606 PolarHBondContact O-N 3.08Å; D606-L609 PolarHBondContact O-N 3.32Å; D606-V610 WeakPolarHBondContact O-CB 3.34Å; D606-V610 VanDerWaalsContact O-CG2 3.23Å; D606-V610 WeakPolarHBondContact O-CG2 3.5Å; D606-V610 PolarHBondContact O-N 3.09Å
607	E	93.7	Very high	93.8	Very high	11 Å²	11	54.5 Å²	54.5	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-41.6	-179.5	-169.7	-177.7	145	0	0	111.7	L578 S593 W596 R597 K603 E604 P605 L609 V610 K611	L578-E607 HydrophobicContact CD2-CG 4.45Å; S593-E607 VanDerWaalsContact CB-OE1 3.31Å; S593-E607 WeakPolarHBondContact CB-OE1 3.48Å; S593-E607 WeakPolarHBondContact CB-OE2 3.32Å; S593-E607 PolarHBondContact OG-OE1 3.19Å; W596-E607 HydrophobicContact CE3-CG 4.46Å; W596-E607 HydrophobicContact CZ3-CB 3.95Å; W596-E607 HydrophobicContact CZ3-CG 4.2Å; R597-E607 IonicContact CZ-OE2 3.24Å; R597-E607 IonicContact NH1-OE2 2.72Å; R597-E607 PolarHBondContact NH1-OE2 2.86Å; K603-E607 PolarHBondContact O-N 3.45Å; E604-E607 WeakPolarHBondContact O-CB 3.42Å; E604-E607 PolarHBondContact O-N 3.49Å; P605-E607 VanDerWaalsContact C-N 3.31Å; E607-L609 VanDerWaalsContact C-N 3.32Å; E607-L609 PolarHBondContact O-N 3.01Å; E607-V610 PolarHBondContact O-N 3.46Å; E607-K611 HydrophobicContact CG-CD 4.41Å; E607-K611 WeakPolarHBondContact O-CB 3.47Å; E607-K611 WeakPolarHBondContact O-CG 3.5Å; E607-K611 PolarHBondContact O-N 2.86Å; E607-K611 VanDerWaalsContact OE1-CE 3.29Å; E607-K611 WeakPolarHBondContact OE1-CE 3.41Å; E607-K611 IonicContact OE1-NZ 2.85Å; E607-K611 PolarHBondContact OE1-NZ 2.89Å
608	A	90.6	Very high	93.6	Very high	54 Å²	54	51 Å²	51	45%	0.446	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-44	176.5	0	0	0	0	0	111.8	E604 K611 F612	E604-A608 PolarHBondContact O-N 3.22Å; A608-K611 PolarHBondContact O-N 3.44Å; A608-F612 PolarHBondContact O-N 3.46Å
609	L	95.2	Very high	93.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-49.2	173.7	-179.1	161.7	0	0	0	111.1	L419 V420 P540 L542 W571 D606 E607 K611 F612 W613	L419-L609 HydrophobicContact CB-CD1 3.84Å; L419-L609 HydrophobicContact CB-CG 4.33Å; V420-L609 HydrophobicContact CG2-CB 4.2Å; P540-L609 HydrophobicContact CB-CD1 3.79Å; P540-L609 HydrophobicContact CG-CD1 4.1Å; L542-L609 HydrophobicContact CB-CD1 3.99Å; L542-L609 HydrophobicContact CD2-CD1 4.04Å; L542-L609 HydrophobicContact CD2-CD2 4.21Å; W571-L609 HydrophobicContact CE3-CD2 3.61Å; W571-L609 HydrophobicContact CZ3-CD1 4.26Å; W571-L609 HydrophobicContact CZ3-CD2 3.85Å; D606-L609 PolarHBondContact O-N 3.32Å; E607-L609 VanDerWaalsContact C-N 3.32Å; E607-L609 PolarHBondContact O-N 3.01Å; L609-K611 VanDerWaalsContact C-N 3.32Å; L609-K611 PolarHBondContact O-N 3.35Å; L609-F612 WeakPolarHBondContact O-CB 3.43Å; L609-F612 PolarHBondContact O-N 3.16Å; L609-W613 HydrophobicContact CD2-CD2 4.06Å; L609-W613 HydrophobicContact CD2-CG 4.18Å; L609-W613 HydrophobicContact CD2-CZ2 4.29Å; L609-W613 PolarHBondContact O-N 3.39Å
610	V	96.2	Very high	92.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-34.7	-176.8	171.8	0	0	0	0	112	W571 K574 A575 L578 W596 D606 E607 F612 W613 Q614	W571-V610 HydrophobicContact CE3-CG2 3.89Å; W571-V610 HydrophobicContact CZ3-CG2 4.05Å; K574-V610 HydrophobicContact CB-CG2 4.47Å; A575-V610 HydrophobicContact CB-CG1 3.79Å; L578-V610 HydrophobicContact CB-CG1 4.13Å; L578-V610 HydrophobicContact CD2-CB 4.49Å; L578-V610 HydrophobicContact CD2-CG1 3.82Å; W596-V610 HydrophobicContact CH2-CB 4.12Å; W596-V610 HydrophobicContact CH2-CG1 4.34Å; W596-V610 HydrophobicContact CH2-CG2 3.91Å; W596-V610 HydrophobicContact CZ2-CB 4.02Å; W596-V610 HydrophobicContact CZ2-CG1 3.76Å; W596-V610 HydrophobicContact CZ2-CG2 3.84Å; D606-V610 WeakPolarHBondContact O-CB 3.34Å; D606-V610 VanDerWaalsContact O-CG2 3.23Å; D606-V610 WeakPolarHBondContact O-CG2 3.5Å; D606-V610 PolarHBondContact O-N 3.09Å; E607-V610 PolarHBondContact O-N 3.46Å; V610-F612 PolarHBondContact O-N 2.97Å; V610-W613 PolarHBondContact O-N 2.95Å; V610-W613 VanDerWaalsContact O-N 3.08Å; V610-Q614 WeakPolarHBondContact O-CG 3.42Å; V610-Q614 PolarHBondContact O-N 3.3Å
611	K	94.5	Very high	92.5	Very high	79 Å²	79	52.5 Å²	52.5	34%	0.343	26%	0.255	S	S	.	.	H	α-helix	trans	-58.9	-43.3	173.3	-79.9	175.2	170.5	176.7	0	112	L578 E589 E607 A608 L609 W613 Q614	L578-K611 HydrophobicContact CD2-CG 4Å; E589-K611 IonicContact OE1-NZ 2.6Å; E589-K611 PolarHBondContact OE1-NZ 3.49Å; E607-K611 HydrophobicContact CG-CD 4.41Å; E607-K611 WeakPolarHBondContact O-CB 3.47Å; E607-K611 WeakPolarHBondContact O-CG 3.5Å; E607-K611 PolarHBondContact O-N 2.86Å; E607-K611 VanDerWaalsContact OE1-CE 3.29Å; E607-K611 WeakPolarHBondContact OE1-CE 3.41Å; E607-K611 IonicContact OE1-NZ 2.85Å; E607-K611 PolarHBondContact OE1-NZ 2.89Å; A608-K611 PolarHBondContact O-N 3.44Å; L609-K611 VanDerWaalsContact C-N 3.32Å; L609-K611 PolarHBondContact O-N 3.35Å; K611-W613 VanDerWaalsContact C-N 3.31Å; K611-W613 PolarHBondContact O-N 3.45Å; K611-Q614 WeakPolarHBondContact O-CB 3.46Å; K611-Q614 PolarHBondContact O-N 3.08Å
612	F	94.7	Very high	92.3	Very high	34 Å²	34	43.9 Å²	43.9	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-42.9	172.1	169.4	-117.8	0	0	0	111.5	L419 V420 G421 L445 C449 A608 L609 V610 Q614 A615	L419-F612 WeakPolarHBondContact O-CD1 3.33Å; V420-F612 VanDerWaalsContact O-CB 3.24Å; V420-F612 WeakPolarHBondContact O-CB 3.41Å; V420-F612 VanDerWaalsContact O-CG 3.32Å; V420-F612 WeakPolarHBondContact O-CG 3.46Å; G421-F612 VanDerWaalsContact CA-CD1 3.46Å; G421-F612 VanDerWaalsContact CA-CZ 3.41Å; L445-F612 HydrophobicContact CD2-CE1 4.34Å; C449-F612 HydrophobicContact CB-CE1 3.9Å; C449-F612 HydrophobicContact CB-CZ 3.82Å; A608-F612 PolarHBondContact O-N 3.46Å; L609-F612 WeakPolarHBondContact O-CB 3.43Å; L609-F612 PolarHBondContact O-N 3.16Å; V610-F612 PolarHBondContact O-N 2.97Å; F612-Q614 VanDerWaalsContact C-N 3.27Å; F612-Q614 PolarHBondContact O-N 3.38Å; F612-A615 VanDerWaalsContact O-CB 3.23Å; F612-A615 WeakPolarHBondContact O-CB 3.42Å; F612-A615 PolarHBondContact O-N 3.23Å
613	W	97.5	Very high	91.9	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-25.3	-177.4	-73.1	35.8	0	0	0	113.6	L419 P446 L542 K568 W571 V572 A575 L609 V610 K611 A615 G616	L419-W613 HydrophobicContact CD2-CZ2 3.94Å; L419-W613 PolarHBondContact O-NE1 3.42Å; P446-W613 HydrophobicContact CG-CD2 3.58Å; P446-W613 HydrophobicContact CG-CE3 3.33Å; P446-W613 HydrophobicContact CG-CG 4.21Å; P446-W613 HydrophobicContact CG-CH2 4.02Å; P446-W613 HydrophobicContact CG-CZ2 4.24Å; P446-W613 HydrophobicContact CG-CZ3 3.57Å; L542-W613 HydrophobicContact CD2-CH2 3.68Å; L542-W613 HydrophobicContact CD2-CZ2 3.66Å; K568-W613 HydrophobicContact CG-CH2 4.16Å; K568-W613 HydrophobicContact CG-CZ3 4.2Å; W571-W613 HydrophobicContact CB-CE3 3.99Å; W571-W613 HydrophobicContact CB-CH2 4Å; W571-W613 HydrophobicContact CB-CZ3 3.43Å; W571-W613 VanDerWaalsContact CB-CZ3 3.43Å; V572-W613 HydrophobicContact CG2-CE3 3.97Å; V572-W613 HydrophobicContact CG2-CZ3 3.92Å; A575-W613 HydrophobicContact CB-CB 3.89Å; L609-W613 HydrophobicContact CD2-CD2 4.06Å; L609-W613 HydrophobicContact CD2-CG 4.18Å; L609-W613 HydrophobicContact CD2-CZ2 4.29Å; L609-W613 PolarHBondContact O-N 3.39Å; V610-W613 PolarHBondContact O-N 2.95Å; V610-W613 VanDerWaalsContact O-N 3.08Å; K611-W613 VanDerWaalsContact C-N 3.31Å; K611-W613 PolarHBondContact O-N 3.45Å; W613-A615 PolarHBondContact O-N 2.91Å; W613-G616 PolarHBondContact O-N 2.95Å; W613-G616 VanDerWaalsContact O-N 3.13Å
614	Q	94.9	Very high	91.5	Very high	32 Å²	32	48.2 Å²	48.2	15%	0.15	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-32.2	172.3	-67.6	178.1	-47.9	0	0	112.4	A575 L578 Y579 V610 K611 F612 G616 L617 K622	A575-Q614 HydrophobicContact CB-CG 4.39Å; L578-Q614 VanDerWaalsContact CG-NE2 3.28Å; Y579-Q614 HydrophobicContact CD2-CB 4.4Å; V610-Q614 WeakPolarHBondContact O-CG 3.42Å; V610-Q614 PolarHBondContact O-N 3.3Å; K611-Q614 WeakPolarHBondContact O-CB 3.46Å; K611-Q614 PolarHBondContact O-N 3.08Å; F612-Q614 VanDerWaalsContact C-N 3.27Å; F612-Q614 PolarHBondContact O-N 3.38Å; Q614-G616 PolarHBondContact O-N 2.96Å; Q614-L617 HydrophobicContact CB-CD1 4.46Å; Q614-L617 PolarHBondContact O-N 3.39Å; Q614-K622 WeakPolarHBondContact O-CE 3.29Å
615	A	91.1	Very high	91.2	Very high	63 Å²	63	41.4 Å²	41.4	52%	0.521	22%	0.216	S	C	.	.	H	α-helix	trans	-60.7	-37.2	177.8	0	0	0	0	0	110.9	F612 W613 L617 K622	F612-A615 VanDerWaalsContact O-CB 3.23Å; F612-A615 WeakPolarHBondContact O-CB 3.42Å; F612-A615 PolarHBondContact O-N 3.23Å; W613-A615 PolarHBondContact O-N 2.91Å; A615-L617 PolarHBondContact O-N 3.17Å; A615-K622 PolarHBondContact O-NZ 3.05Å
616	G	91.5	Very high	90.9	Very high	4 Å²	4	44.1 Å²	44.1	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9	-179.5	0	0	0	0	0	116.6	I333 G448 W613 Q614	I333-G616 WeakPolarHBondContact CD1-O 3.31Å; G448-G616 WeakPolarHBondContact CA-O 3.39Å; G448-G616 VanDerWaalsContact O-CA 3.29Å; G448-G616 WeakPolarHBondContact O-CA 3.41Å; W613-G616 PolarHBondContact O-N 2.95Å; W613-G616 VanDerWaalsContact O-N 3.13Å; Q614-G616 PolarHBondContact O-N 2.96Å
617	L	93.6	Very high	90.2	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	24%	0.243	C	C	.	.	S	Bend	trans	-72.2	148	172.4	-60.7	172.8	0	0	0	111.5	Q329 V572 K576 Y579 Q614 A615 F621 K622	Q329-L617 HydrophobicContact CG-CD2 4.19Å; V572-L617 HydrophobicContact CG1-CD2 4.34Å; K576-L617 HydrophobicContact CG-CD1 4.48Å; K576-L617 HydrophobicContact CG-CD2 3.75Å; Y579-L617 HydrophobicContact CD2-CD1 4.37Å; Y579-L617 HydrophobicContact CG-CD1 4.01Å; Q614-L617 HydrophobicContact CB-CD1 4.46Å; Q614-L617 PolarHBondContact O-N 3.39Å; A615-L617 PolarHBondContact O-N 3.17Å; L617-F621 HydrophobicContact CB-CD1 4.21Å; L617-F621 HydrophobicContact CD1-CD1 4.07Å; L617-F621 HydrophobicContact CD1-CE1 3.89Å; L617-K622 HydrophobicContact CB-CG 4.44Å; L617-K622 WeakPolarHBondContact O-CE 3.3Å; L617-K622 PolarHBondContact O-NZ 3.38Å
618	S	91	Very high	89.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	25%	0.252	C	S	.	.			trans	-62.4	152.6	-176.5	77.2	0	0	0	0	112.8	Q329 E336 S620 F621 K622	Q329-S618 PolarHBondContact NE2-OG 2.74Å; Q329-S618 PolarHBondContact OE1-OG 2.91Å; E336-S618 WeakPolarHBondContact OE1-CB 3.28Å; S618-S620 VanDerWaalsContact C-N 3.33Å; S618-S620 PolarHBondContact OG-OG 3.46Å; S618-F621 PolarHBondContact O-N 3.33Å; S618-F621 VanDerWaalsContact OG-CB 3.26Å; S618-F621 WeakPolarHBondContact OG-CB 3.14Å; S618-F621 PolarHBondContact OG-N 2.89Å; S618-F621 VanDerWaalsContact OG-N 3.14Å; S618-K622 WeakPolarHBondContact O-CG 3.23Å; S618-K622 PolarHBondContact O-N 3.35Å; S618-K622 VanDerWaalsContact O-N 3.09Å
619	R	86.8	Confident	89.3	Confident	172 Å²	172	46 Å²	46	65%	0.649	24%	0.237	S	C	*	.	H	α-helix	trans	-66.3	-39.6	179.4	-66.4	-179.3	-179.2	168.5	1.2	111.2	E336 K622 S623	E336-R619 PolarHBondContact OE1-N 3.44Å; E336-R619 VanDerWaalsContact OE1-N 3.16Å; E336-R619 PolarHBondContact OE2-N 3.36Å; R619-K622 PolarHBondContact O-N 2.95Å; R619-S623 WeakPolarHBondContact O-CB 3.32Å; R619-S623 PolarHBondContact O-N 3.07Å; R619-S623 PolarHBondContact O-OG 2.65Å
620	S	83.5	Confident	88.5	Confident	53 Å²	53	48.5 Å²	48.5	37%	0.371	25%	0.254	S	S	.	.	H	α-helix	trans	-55.6	-48.7	173.7	46.8	0	0	0	0	112.2	E336 S618 S623 Y624	E336-S620 WeakPolarHBondContact OE1-CB 3.37Å; E336-S620 PolarHBondContact OE1-N 3.13Å; E336-S620 PolarHBondContact OE1-OG 3.08Å; S618-S620 VanDerWaalsContact C-N 3.33Å; S618-S620 PolarHBondContact OG-OG 3.46Å; S620-S623 PolarHBondContact O-N 2.78Å; S620-Y624 WeakPolarHBondContact O-CB 3.39Å; S620-Y624 PolarHBondContact O-N 3.33Å
621	F	87.8	Confident	87.5	Confident	36 Å²	36	54.5 Å²	54.5	16%	0.158	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-46.3	179	175.6	-98.6	0	0	0	111.8	K576 Y579 L617 S618 S623 Y624 V625	K576-F621 HydrophobicContact CB-CE1 4.01Å; K576-F621 HydrophobicContact CB-CE2 4.26Å; K576-F621 HydrophobicContact CB-CZ 3.59Å; K576-F621 HydrophobicContact CD-CE2 4.08Å; K576-F621 HydrophobicContact CD-CZ 4.19Å; K576-F621 HydrophobicContact CG-CD1 4.4Å; K576-F621 HydrophobicContact CG-CE1 3.87Å; K576-F621 HydrophobicContact CG-CE2 4.09Å; K576-F621 HydrophobicContact CG-CZ 3.69Å; Y579-F621 AromaticContact CD1-CE1 3.97Å; Y579-F621 HydrophobicContact CD1-CE1 3.97Å; L617-F621 HydrophobicContact CB-CD1 4.21Å; L617-F621 HydrophobicContact CD1-CD1 4.07Å; L617-F621 HydrophobicContact CD1-CE1 3.89Å; S618-F621 PolarHBondContact O-N 3.33Å; S618-F621 VanDerWaalsContact OG-CB 3.26Å; S618-F621 WeakPolarHBondContact OG-CB 3.14Å; S618-F621 PolarHBondContact OG-N 2.89Å; S618-F621 VanDerWaalsContact OG-N 3.14Å; F621-S623 VanDerWaalsContact C-N 3.3Å; F621-S623 PolarHBondContact O-N 2.74Å; F621-Y624 PolarHBondContact O-N 3.19Å; F621-V625 HydrophobicContact CD1-CG2 4.41Å; F621-V625 HydrophobicContact CE1-CG2 3.87Å; F621-V625 HydrophobicContact CE2-CG2 4Å; F621-V625 HydrophobicContact CZ-CG2 3.63Å; F621-V625 WeakPolarHBondContact O-CG2 3.04Å; F621-V625 PolarHBondContact O-N 3.33Å
622	K	89.4	Confident	86.3	Confident	54 Å²	54	57.9 Å²	57.9	24%	0.235	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-44.7	177	-69.9	175.9	-179.8	161.4	0	111.1	Y579 Q614 A615 L617 S618 R619 V625 M626	Y579-K622 HydrophobicContact CE1-CB 4.21Å; Y579-K622 HydrophobicContact CE1-CG 3.99Å; Y579-K622 HydrophobicContact CE2-CG 4.17Å; Q614-K622 WeakPolarHBondContact O-CE 3.29Å; A615-K622 PolarHBondContact O-NZ 3.05Å; L617-K622 HydrophobicContact CB-CG 4.44Å; L617-K622 WeakPolarHBondContact O-CE 3.3Å; L617-K622 PolarHBondContact O-NZ 3.38Å; S618-K622 WeakPolarHBondContact O-CG 3.23Å; S618-K622 PolarHBondContact O-N 3.35Å; S618-K622 VanDerWaalsContact O-N 3.09Å; R619-K622 PolarHBondContact O-N 2.95Å; K622-V625 PolarHBondContact O-N 2.85Å; K622-M626 VanDerWaalsContact O-CG 3.29Å; K622-M626 WeakPolarHBondContact O-CG 2.95Å; K622-M626 PolarHBondContact O-N 2.93Å
623	S	85.1	Confident	85	Confident	75 Å²	75	61 Å²	61	52%	0.524	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-43.5	178.7	-56.3	0	0	0	0	112.1	R619 S620 F621 V625 M626 S627	R619-S623 WeakPolarHBondContact O-CB 3.32Å; R619-S623 PolarHBondContact O-N 3.07Å; R619-S623 PolarHBondContact O-OG 2.65Å; S620-S623 PolarHBondContact O-N 2.78Å; F621-S623 VanDerWaalsContact C-N 3.3Å; F621-S623 PolarHBondContact O-N 2.74Å; S623-V625 PolarHBondContact O-N 3.44Å; S623-M626 PolarHBondContact O-N 2.89Å; S623-S627 PolarHBondContact O-N 3.37Å
624	Y	84.8	Confident	83.5	Confident	149 Å²	149	67.2 Å²	67.2	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-59.7	-45.2	175.4	169.5	-102.7	0	0	0	112.5	S620 F621 M626 S627 V628	S620-Y624 WeakPolarHBondContact O-CB 3.39Å; S620-Y624 PolarHBondContact O-N 3.33Å; F621-Y624 PolarHBondContact O-N 3.19Å; Y624-M626 VanDerWaalsContact C-N 3.3Å; Y624-M626 PolarHBondContact O-N 2.89Å; Y624-S627 PolarHBondContact O-N 3.16Å; Y624-S627 PolarHBondContact O-OG 3.13Å; Y624-V628 HydrophobicContact CD2-CG2 4.23Å; Y624-V628 HydrophobicContact CE1-CG2 4.29Å; Y624-V628 HydrophobicContact CE2-CG2 3.77Å; Y624-V628 WeakPolarHBondContact O-CG2 3.45Å; Y624-V628 PolarHBondContact O-N 3.33Å; Y624-V628 VanDerWaalsContact O-N 3.08Å
625	V	85.6	Confident	81.8	Confident	10 Å²	10	72.5 Å²	72.5	6%	0.061	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-42.4	176.7	170.6	0	0	0	0	110.8	Y579 A580 K583 F621 K622 S623 V628 C629	Y579-V625 HydrophobicContact CD1-CB 4.31Å; Y579-V625 HydrophobicContact CD1-CG1 4.09Å; Y579-V625 HydrophobicContact CD1-CG2 4.29Å; Y579-V625 HydrophobicContact CE1-CB 4.05Å; Y579-V625 HydrophobicContact CE1-CG1 3.98Å; Y579-V625 HydrophobicContact CE1-CG2 4.44Å; A580-V625 HydrophobicContact CB-CG1 4.38Å; A580-V625 HydrophobicContact CB-CG2 4.43Å; K583-V625 HydrophobicContact CB-CG1 3.92Å; K583-V625 HydrophobicContact CG-CG1 4.15Å; F621-V625 HydrophobicContact CD1-CG2 4.41Å; F621-V625 HydrophobicContact CE1-CG2 3.87Å; F621-V625 HydrophobicContact CE2-CG2 4Å; F621-V625 HydrophobicContact CZ-CG2 3.63Å; F621-V625 WeakPolarHBondContact O-CG2 3.04Å; F621-V625 PolarHBondContact O-N 3.33Å; K622-V625 PolarHBondContact O-N 2.85Å; S623-V625 PolarHBondContact O-N 3.44Å; V625-V628 PolarHBondContact O-N 2.95Å; V625-C629 WeakPolarHBondContact O-CB 3.26Å; V625-C629 PolarHBondContact O-N 2.77Å; V625-C629 PolarHBondContact O-SG 2.96Å
626	M	85.7	Confident	80.3	Confident	84 Å²	84	72.7 Å²	72.7	41%	0.414	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-39.4	178.6	-69.5	-62	-59.5	0	0	112.6	K583 K622 S623 Y624 C629 S630	K583-M626 HydrophobicContact CB-SD 4.49Å; K583-M626 HydrophobicContact CD-SD 3.76Å; K583-M626 HydrophobicContact CG-SD 4.01Å; K622-M626 VanDerWaalsContact O-CG 3.29Å; K622-M626 WeakPolarHBondContact O-CG 2.95Å; K622-M626 PolarHBondContact O-N 2.93Å; S623-M626 PolarHBondContact O-N 2.89Å; Y624-M626 VanDerWaalsContact C-N 3.3Å; Y624-M626 PolarHBondContact O-N 2.89Å; M626-C629 PolarHBondContact O-N 3.13Å; M626-S630 WeakPolarHBondContact O-CB 3.49Å; M626-S630 PolarHBondContact O-N 3.38Å; M626-S630 PolarHBondContact O-OG 2.76Å
627	S	81.4	Confident	78.7	Confident	50 Å²	50	75.7 Å²	75.7	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-46.2	177	69.5	0	0	0	0	111.4	S623 Y624 C629 S630 E631	S623-S627 PolarHBondContact O-N 3.37Å; Y624-S627 PolarHBondContact O-N 3.16Å; Y624-S627 PolarHBondContact O-OG 3.13Å; S627-C629 VanDerWaalsContact C-N 3.29Å; S627-C629 PolarHBondContact O-N 2.72Å; S627-S630 PolarHBondContact O-N 3Å; S627-S630 VanDerWaalsContact O-N 3.08Å; S627-E631 WeakPolarHBondContact O-CG 3.26Å; S627-E631 PolarHBondContact O-N 3.38Å
628	V	82	Confident	76.7	Confident	39 Å²	39	78.1 Å²	78.1	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-61.5	-37.7	177.1	173.2	0	0	0	0	111.8	Y624 V625 R632	Y624-V628 HydrophobicContact CD2-CG2 4.23Å; Y624-V628 HydrophobicContact CE1-CG2 4.29Å; Y624-V628 HydrophobicContact CE2-CG2 3.77Å; Y624-V628 WeakPolarHBondContact O-CG2 3.45Å; Y624-V628 PolarHBondContact O-N 3.33Å; Y624-V628 VanDerWaalsContact O-N 3.08Å; V625-V628 PolarHBondContact O-N 2.95Å; V628-R632 WeakPolarHBondContact O-CG 3.41Å; V628-R632 PolarHBondContact O-N 3.09Å
629	C	82.9	Confident	74.8	Confident	18 Å²	18	81.2 Å²	81.2	12%	0.122	41%	0.414	C	S	.	.	H	α-helix	trans	-67.3	-39.4	175.2	-67	0	0	0	0	111.7	V625 M626 S627 R632 Q633	V625-C629 WeakPolarHBondContact O-CB 3.26Å; V625-C629 PolarHBondContact O-N 2.77Å; V625-C629 PolarHBondContact O-SG 2.96Å; M626-C629 PolarHBondContact O-N 3.13Å; S627-C629 VanDerWaalsContact C-N 3.29Å; S627-C629 PolarHBondContact O-N 2.72Å; C629-R632 PolarHBondContact O-N 3.29Å; C629-Q633 WeakPolarHBondContact O-CG 3.34Å; C629-Q633 PolarHBondContact O-N 3.39Å; C629-Q633 VanDerWaalsContact O-N 3.16Å
630	S	78.6	Confident	73	Confident	53 Å²	53	76.4 Å²	76.4	37%	0.371	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-47.8	179.7	-54.1	0	0	0	0	111.7	M626 S627 R632 Q633 E634	M626-S630 WeakPolarHBondContact O-CB 3.49Å; M626-S630 PolarHBondContact O-N 3.38Å; M626-S630 PolarHBondContact O-OG 2.76Å; S627-S630 PolarHBondContact O-N 3Å; S627-S630 VanDerWaalsContact O-N 3.08Å; S630-R632 PolarHBondContact O-N 3.18Å; S630-Q633 PolarHBondContact O-N 3.37Å; S630-E634 PolarHBondContact O-N 2.84Å
631	E	74.9	Confident	71.3	Confident	126 Å²	126	77.4 Å²	77.4	59%	0.589	41%	0.414	S	S	*	.	H	α-helix	trans	-56.9	-38	176.7	-72.9	173.2	-170.4	0	0	112.3	S627 E634 F635	S627-E631 WeakPolarHBondContact O-CG 3.26Å; S627-E631 PolarHBondContact O-N 3.38Å; E631-E634 PolarHBondContact O-N 3.1Å; E631-F635 WeakPolarHBondContact O-CB 3.38Å; E631-F635 PolarHBondContact O-N 2.88Å
632	R	69.9	Low	69.2	Low	151 Å²	151	79.6 Å²	79.6	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-71.1	-35.3	177.2	-75.2	-179.1	177.9	-154.8	-1	113.2	V628 C629 S630 F635 S636	V628-R632 WeakPolarHBondContact O-CG 3.41Å; V628-R632 PolarHBondContact O-N 3.09Å; C629-R632 PolarHBondContact O-N 3.29Å; S630-R632 PolarHBondContact O-N 3.18Å; R632-F635 PolarHBondContact O-N 2.64Å; R632-S636 PolarHBondContact O-N 3.13Å; R632-S636 PolarHBondContact O-OG 3.42Å
633	Q	67.8	Low	67	Low	99 Å²	99	81.2 Å²	81.2	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-68	-38.1	174.3	-72.9	178.6	-2.5	0	0	111.1	N586 C629 S630 S636 S637	N586-Q633 PolarHBondContact OD1-NE2 3.27Å; C629-Q633 WeakPolarHBondContact O-CG 3.34Å; C629-Q633 PolarHBondContact O-N 3.39Å; C629-Q633 VanDerWaalsContact O-N 3.16Å; S630-Q633 PolarHBondContact O-N 3.37Å; Q633-S636 PolarHBondContact O-N 2.99Å; Q633-S636 PolarHBondContact O-OG 2.9Å; Q633-S637 WeakPolarHBondContact O-CB 3.44Å; Q633-S637 PolarHBondContact O-N 2.99Å; Q633-S637 PolarHBondContact O-OG 2.78Å
634	E	65.4	Low	64.9	Low	133 Å²	133	82 Å²	82	62%	0.621	46%	0.457	S	S	*	.	H	α-helix	trans	-64.4	-43.4	172.7	-70.6	-178.9	-179.1	0	0	111.6	S630 E631 S636 S637 S638	S630-E634 PolarHBondContact O-N 2.84Å; E631-E634 PolarHBondContact O-N 3.1Å; E634-S636 PolarHBondContact O-N 3.41Å; E634-S637 WeakPolarHBondContact CA-OG 3.26Å; E634-S637 PolarHBondContact O-N 3.36Å; E634-S637 PolarHBondContact O-OG 3.07Å; E634-S638 PolarHBondContact O-N 2.76Å; E634-S638 PolarHBondContact O-OG 3.42Å
635	F	58.8	Low	62.7	Low	144 Å²	144	80.9 Å²	80.9	63%	0.632	47%	0.467	S	S	*	.	H	α-helix	trans	-64.9	-39.1	177.6	-162.5	-92.5	0	0	0	112.8	E631 R632 S638 T639	E631-F635 WeakPolarHBondContact O-CB 3.38Å; E631-F635 PolarHBondContact O-N 2.88Å; R632-F635 PolarHBondContact O-N 2.64Å; F635-S638 WeakPolarHBondContact CA-OG 3.16Å; F635-S638 PolarHBondContact O-N 2.92Å; F635-S638 PolarHBondContact O-OG 3.14Å; F635-T639 HydrophobicContact CE1-CG2 4.1Å; F635-T639 PolarHBondContact O-N 3.24Å; F635-T639 VanDerWaalsContact O-N 3.1Å; F635-T639 PolarHBondContact O-OG1 3.11Å
636	S	60.1	Low	60.4	Low	67 Å²	67	88.1 Å²	88.1	47%	0.469	53%	0.528	S	S	.	.	H	α-helix	trans	-70.7	-32	175.6	65.5	0	0	0	0	112.7	R632 Q633 E634 T639 S640	R632-S636 PolarHBondContact O-N 3.13Å; R632-S636 PolarHBondContact O-OG 3.42Å; Q633-S636 PolarHBondContact O-N 2.99Å; Q633-S636 PolarHBondContact O-OG 2.9Å; E634-S636 PolarHBondContact O-N 3.41Å; S636-T639 WeakPolarHBondContact CA-OG1 3.24Å; S636-T639 PolarHBondContact O-OG1 3.36Å; S636-S640 WeakPolarHBondContact O-CB 3.47Å; S636-S640 PolarHBondContact O-N 3.26Å; S636-S640 VanDerWaalsContact O-N 3.08Å; S636-S640 PolarHBondContact O-OG 3.26Å
637	S	57.1	Low	59.2	Low	67 Å²	67	88.4 Å²	88.4	47%	0.469	53%	0.533	S	S	.	.	H	α-helix	trans	-71.5	-34.2	174.1	75.2	0	0	0	0	113.3	Q633 E634 S640 S641	Q633-S637 WeakPolarHBondContact O-CB 3.44Å; Q633-S637 PolarHBondContact O-N 2.99Å; Q633-S637 PolarHBondContact O-OG 2.78Å; E634-S637 WeakPolarHBondContact CA-OG 3.26Å; E634-S637 PolarHBondContact O-N 3.36Å; E634-S637 PolarHBondContact O-OG 3.07Å; S637-S640 WeakPolarHBondContact CA-OG 3.33Å; S637-S640 PolarHBondContact O-OG 3.34Å; S637-S640 VanDerWaalsContact O-OG 3.11Å; S637-S641 PolarHBondContact O-N 3.28Å; S637-S641 VanDerWaalsContact O-N 3.13Å; S637-S641 PolarHBondContact O-OG 3.13Å
638	S	52.9	Low	58	Low	59 Å²	59	90.4 Å²	90.4	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-77.3	-28	177	54	0	0	0	0	113.3	E634 F635 S641 S642	E634-S638 PolarHBondContact O-N 2.76Å; E634-S638 PolarHBondContact O-OG 3.42Å; F635-S638 WeakPolarHBondContact CA-OG 3.16Å; F635-S638 PolarHBondContact O-N 2.92Å; F635-S638 PolarHBondContact O-OG 3.14Å; S638-S641 WeakPolarHBondContact CA-OG 3.19Å; S638-S641 PolarHBondContact O-OG 2.92Å; S638-S641 VanDerWaalsContact O-OG 3.1Å; S638-S642 PolarHBondContact O-N 3.06Å; S638-S642 PolarHBondContact O-OG 3.04Å; S638-S642 VanDerWaalsContact O-OG 3.07Å
639	T	50.5	Low	56.6	Low	66 Å²	66	93.2 Å²	93.2	41%	0.405	56%	0.56	S	S	.	*	H	α-helix	trans	-80.4	-28.4	172	35.9	0	0	0	0	113.5	F635 S636 S642 S643	F635-T639 HydrophobicContact CE1-CG2 4.1Å; F635-T639 PolarHBondContact O-N 3.24Å; F635-T639 VanDerWaalsContact O-N 3.1Å; F635-T639 PolarHBondContact O-OG1 3.11Å; S636-T639 WeakPolarHBondContact CA-OG1 3.24Å; S636-T639 PolarHBondContact O-OG1 3.36Å; T639-S642 WeakPolarHBondContact CA-OG 3.25Å; T639-S642 PolarHBondContact O-OG 2.84Å; T639-S643 PolarHBondContact O-N 2.88Å; T639-S643 PolarHBondContact O-OG 2.98Å
640	S	49.4	Very low	55.1	Low	71 Å²	71	97.6 Å²	97.6	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-76.2	-30.6	173	45.5	0	0	0	0	113	S636 S637 S643	S636-S640 WeakPolarHBondContact O-CB 3.47Å; S636-S640 PolarHBondContact O-N 3.26Å; S636-S640 VanDerWaalsContact O-N 3.08Å; S636-S640 PolarHBondContact O-OG 3.26Å; S637-S640 WeakPolarHBondContact CA-OG 3.33Å; S637-S640 PolarHBondContact O-OG 3.34Å; S637-S640 VanDerWaalsContact O-OG 3.11Å; S640-S643 PolarHBondContact O-OG 2.8Å
641	S	46.3	Very low	53.6	Low	75 Å²	75	100.4 Å²	100.4	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-71	-33.4	173	44.9	0	0	0	0	113.2	S637 S638 S643 S644	S637-S641 PolarHBondContact O-N 3.28Å; S637-S641 VanDerWaalsContact O-N 3.13Å; S637-S641 PolarHBondContact O-OG 3.13Å; S638-S641 WeakPolarHBondContact CA-OG 3.19Å; S638-S641 PolarHBondContact O-OG 2.92Å; S638-S641 VanDerWaalsContact O-OG 3.1Å; S641-S643 VanDerWaalsContact C-N 3.34Å; S641-S643 PolarHBondContact O-N 2.98Å; S641-S644 PolarHBondContact O-OG 2.85Å
642	S	44.5	Very low	52.2	Low	82 Å²	82	98.7 Å²	98.7	57%	0.573	60%	0.6	S	S	*	*	H	α-helix	trans	-77.7	-12.1	177.3	51.1	0	0	0	0	115	S638 T639	S638-S642 PolarHBondContact O-N 3.06Å; S638-S642 PolarHBondContact O-OG 3.04Å; S638-S642 VanDerWaalsContact O-OG 3.07Å; T639-S642 WeakPolarHBondContact CA-OG 3.25Å; T639-S642 PolarHBondContact O-OG 2.84Å
643	S	42.9	Very low	50.9	Low	87 Å²	87	95 Å²	95	61%	0.608	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	3.1	178	46.4	0	0	0	0	114.4	T639 S640 S641	T639-S643 PolarHBondContact O-N 2.88Å; T639-S643 PolarHBondContact O-OG 2.98Å; S640-S643 PolarHBondContact O-OG 2.8Å; S641-S643 VanDerWaalsContact C-N 3.34Å; S641-S643 PolarHBondContact O-N 2.98Å
644	S	42.1	Very low	49.7	Very low	91 Å²	91	94.7 Å²	94.7	64%	0.636	61%	0.613	S	S	*	*	S	Bend	trans	-97.7	6.1	177.4	66.9	0	0	0	0	114.9	S641	S641-S644 PolarHBondContact O-OG 2.85Å
645	T	38.5	Very low	48.3	Very low	127 Å²	127	91.5 Å²	91.5	78%	0.779	61%	0.612	S	S	*	*			trans	-127.7	71.5	170.6	50.7	0	0	0	0	110.5
646	A	37.1	Very low	47.4	Very low	162 Å²	162	86.7 Å²	86.7	100%	1.339	61%	0.61	S	S	*	*			trans	-145.2	0	156.2	0	0	0	0	0	106.4

Retrieved 646 of 646 residues in 1222.8 ms (Link to these results)

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