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Tubulin alpha chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession C4Q4S5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 449 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.9	Low	92.7	Very high	120 Å²	120	31.6 Å²	31.6	59%	0.591	14%	0.142	S	C	*	.				0	173.6	0	-70.5	158.7	-118.4	0	0	108.8	E3 S50 T130	M1-E3 HydrophobicContact CB-CG 4.03Å; M1-S50 VanDerWaalsContact SD-CB 3.57Å; M1-S50 PolarHBondContact SD-OG 3.37Å; M1-S50 VanDerWaalsContact SD-OG 3.39Å; M1-T130 HydrophobicContact CE-CG2 3.73Å; M1-T130 PolarHBondContact N-OG1 3.46Å; M1-T130 VanDerWaalsContact N-OG1 3.11Å
2	R	82.1	Confident	92.9	Very high	118 Å²	118	31.4 Å²	31.4	45%	0.445	15%	0.15	S	C	.	.			trans	-105.4	60.7	-179	-68.4	-171.9	-179.3	-165	3.3	110.2	T51 Q133 D251	R2-T51 WeakPolarHBondContact O-CG2 3.37Å; R2-Q133 HydrophobicContact CB-CG 4.12Å; R2-Q133 VanDerWaalsContact CD-NE2 3.34Å; R2-Q133 VanDerWaalsContact CG-NE2 3.27Å; R2-D251 IonicContact NH1-OD1 2.85Å; R2-D251 PolarHBondContact NH1-OD1 2.99Å
3	E	92.4	Very high	93.3	Very high	2 Å²	2	29 Å²	29	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.8	-168.6	-67.7	139	116.9	0	0	112	M1 S50 T51 R64 C129 T130 G131 L132 Q133	M1-E3 HydrophobicContact CB-CG 4.03Å; E3-S50 WeakPolarHBondContact CG-O 3.37Å; E3-T51 WeakPolarHBondContact CA-O 3.29Å; E3-R64 IonicContact OE1-CZ 2.84Å; E3-R64 IonicContact OE1-NH1 3.83Å; E3-R64 IonicContact OE1-NH2 2.74Å; E3-R64 PolarHBondContact OE1-NH2 2.8Å; E3-C129 HydrophobicContact CB-CB 3.98Å; E3-C129 HydrophobicContact CG-CB 4.45Å; E3-C129 VanDerWaalsContact OE1-CA 3.25Å; E3-C129 WeakPolarHBondContact OE1-CA 3.37Å; E3-T130 VanDerWaalsContact CD-N 3.26Å; E3-T130 PolarHBondContact OE1-N 2.91Å; E3-T130 WeakPolarHBondContact OE2-CA 3.47Å; E3-T130 PolarHBondContact OE2-N 3.17Å; E3-T130 PolarHBondContact OE2-OG1 2.72Å; E3-G131 PolarHBondContact N-O 2.63Å; E3-G131 VanDerWaalsContact N-O 3.13Å; E3-G131 PolarHBondContact OE2-N 3.18Å; E3-L132 CarbonylContact O-C 3.05Å; E3-L132 WeakPolarHBondContact O-CA 3.19Å; E3-Q133 PolarHBondContact O-N 3.36Å
4	C	94.5	Very high	93.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.7	179	-60.1	0	0	0	0	110	T51 F52 R64 L252	C4-T51 PolarHBondContact N-O 2.81Å; C4-F52 HydrophobicContact CB-CD1 4.29Å; C4-F52 HydrophobicContact CB-CE1 3.71Å; C4-F52 HydrophobicContact CB-CZ 4.13Å; C4-R64 WeakPolarHBondContact O-CB 3.46Å; C4-L252 WeakPolarHBondContact SG-CD1 3.38Å
5	I	97.3	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.3	174.9	-65	168.9	0	0	0	108.3	L7 R64 L125 L132 G134 F135 L136	I5-L7 HydrophobicContact CG2-CD2 3.72Å; I5-L7 HydrophobicContact CG2-CG 4.5Å; I5-R64 WeakPolarHBondContact CA-O 3.45Å; I5-R64 HydrophobicContact CG1-CB 4.5Å; I5-L125 HydrophobicContact CD1-CB 3.82Å; I5-L125 HydrophobicContact CG1-CB 4.45Å; I5-L125 HydrophobicContact CG2-CD1 4.33Å; I5-L132 HydrophobicContact CB-CD1 4.42Å; I5-L132 HydrophobicContact CD1-CD1 3.84Å; I5-L132 HydrophobicContact CD1-CD2 4.27Å; I5-L132 HydrophobicContact CG1-CD1 3.81Å; I5-G134 PolarHBondContact N-O 2.9Å; I5-G134 VanDerWaalsContact N-O 3.15Å; I5-F135 HydrophobicContact CB-CD1 3.86Å; I5-F135 HydrophobicContact CB-CE1 4.03Å; I5-F135 HydrophobicContact CD1-CE1 4.04Å; I5-F135 HydrophobicContact CG2-CD1 4.17Å; I5-F135 HydrophobicContact CG2-CE1 4.33Å; I5-F135 CarbonylContact O-C 3.59Å; I5-F135 VanDerWaalsContact O-CA 3.27Å; I5-F135 WeakPolarHBondContact O-CA 3.39Å; I5-L136 PolarHBondContact O-N 3.04Å
6	S	98.3	Very high	94.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.2	174.5	-53.1	0	0	0	0	110.7	H8 R64 A65 V66 L136	S6-H8 WeakPolarHBondContact CB-NE2 3.34Å; S6-R64 PolarHBondContact N-O 3.05Å; S6-A65 CarbonylContact O-C 3.6Å; S6-A65 VanDerWaalsContact O-CA 3.23Å; S6-A65 WeakPolarHBondContact O-CA 3.32Å; S6-V66 PolarHBondContact O-N 3.21Å; S6-L136 CarbonylContact C-O 3.51Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.42Å
7	L	98.7	Very high	94.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.7	178.3	-53.1	-178.8	0	0	0	108.1	I5 V66 I122 F135 L136 V137 F138 L153 L157	I5-L7 HydrophobicContact CG2-CD2 3.72Å; I5-L7 HydrophobicContact CG2-CG 4.5Å; L7-V66 HydrophobicContact CD2-CB 3.94Å; L7-V66 HydrophobicContact CD2-CG2 4.07Å; L7-I122 HydrophobicContact CD1-CD1 3.9Å; L7-I122 HydrophobicContact CD2-CD1 3.64Å; L7-I122 HydrophobicContact CD2-CG1 3.76Å; L7-I122 HydrophobicContact CG-CD1 4.45Å; L7-F135 HydrophobicContact CD1-CB 4.26Å; L7-F135 HydrophobicContact CD1-CD1 3.92Å; L7-F135 HydrophobicContact CD1-CG 4.29Å; L7-F135 HydrophobicContact CG-CD1 4.23Å; L7-L136 PolarHBondContact N-O 2.94Å; L7-V137 HydrophobicContact CB-CG2 4.44Å; L7-V137 HydrophobicContact CD1-CG2 4.24Å; L7-V137 CarbonylContact O-C 3.55Å; L7-V137 WeakPolarHBondContact O-CA 3.46Å; L7-F138 PolarHBondContact O-N 3.32Å; L7-L153 HydrophobicContact CD1-CD2 4.24Å; L7-L157 HydrophobicContact CD1-CD1 3.45Å; L7-L157 VanDerWaalsContact CD1-CD1 3.45Å
8	H	98.7	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109	-177.6	-64.8	-76.2	0	0	0	108.9	S6 G13 G17 W21 V66 F67 V68 F138	S6-H8 WeakPolarHBondContact CB-NE2 3.34Å; H8-G13 PolarHBondContact ND1-O 3.06Å; H8-G17 WeakPolarHBondContact CE1-CA 3.38Å; H8-G17 WeakPolarHBondContact ND1-CA 3.22Å; H8-W21 AromaticContact CD2-NE1 3.81Å; H8-W21 AromaticContact NE2-CD1 3.94Å; H8-W21 AromaticContact NE2-NE1 3.14Å; H8-W21 PolarHBondContact NE2-NE1 2.76Å; H8-W21 VanDerWaalsContact NE2-NE1 3.14Å; H8-V66 PolarHBondContact N-O 2.79Å; H8-F67 HydrophobicContact CB-CD1 3.36Å; H8-F67 HydrophobicContact CB-CE1 3.66Å; H8-F67 HydrophobicContact CB-CG 4.09Å; H8-F67 AromaticContact CD2-CD1 4Å; H8-F67 AromaticContact CD2-CE1 3.57Å; H8-F67 AromaticContact CD2-CZ 3.66Å; H8-F67 AromaticContact CG-CD1 3.8Å; H8-F67 AromaticContact CG-CE1 3.55Å; H8-F67 WeakPolarHBondContact O-CA 3.37Å; H8-V68 PolarHBondContact O-N 3.04Å; H8-F138 AromaticContact CE1-CD1 3.99Å; H8-F138 AromaticContact CE1-CD2 3.17Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.21Å; H8-F138 AromaticContact CE1-CE2 3.46Å; H8-F138 VanDerWaalsContact CE1-CE2 3.46Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.39Å; H8-F138 AromaticContact CE1-CG 3.47Å; H8-F138 VanDerWaalsContact CE1-CG 3.47Å; H8-F138 WeakPolarHBondContact CE1-CG 3.36Å; H8-F138 AromaticContact CE1-CZ 3.98Å; H8-F138 WeakPolarHBondContact ND1-CB 3.31Å; H8-F138 AromaticContact ND1-CD2 3.42Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.49Å; H8-F138 AromaticContact ND1-CG 3.38Å; H8-F138 WeakPolarHBondContact ND1-CG 3.36Å; H8-F138 AromaticContact NE2-CD2 3.94Å
9	V	98.5	Very high	94.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	-167.2	-175.8	0	0	0	0	111.8	G13 V68 F138 H139 T145 F149 T150 L153	V9-G13 WeakPolarHBondContact O-CA 3.26Å; V9-G13 PolarHBondContact O-N 3.07Å; V9-V68 WeakPolarHBondContact CA-O 3.46Å; V9-F138 PolarHBondContact N-O 2.89Å; V9-H139 HydrophobicContact CB-CB 4.4Å; V9-T145 HydrophobicContact CG1-CG2 3.98Å; V9-F149 HydrophobicContact CG1-CD1 3.67Å; V9-F149 HydrophobicContact CG1-CE1 4.41Å; V9-T150 VanDerWaalsContact CG1-OG1 3.24Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.23Å; V9-L153 HydrophobicContact CG2-CD2 4.17Å
10	G	97.3	Very high	94.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	70.4	-177.1	-178.7	0	0	0	0	0	113.3	A12 G13 T14 V68 D69	G10-A12 PolarHBondContact O-N 3.15Å; G10-G13 PolarHBondContact O-N 3.41Å; G10-T14 VanDerWaalsContact O-CB 3.27Å; G10-T14 WeakPolarHBondContact O-CB 3.24Å; G10-T14 PolarHBondContact O-N 2.9Å; G10-T14 PolarHBondContact O-OG1 3.42Å; G10-V68 PolarHBondContact N-O 3.43Å; G10-D69 WeakPolarHBondContact CA-OD2 3.43Å
11	Q	95.5	Very high	94.6	Very high	102 Å²	102	23.6 Å²	23.6	48%	0.477	12%	0.116	S	C	.	.	H	α-helix	trans	-55.8	-50.2	-178	-175	-178.7	-47.9	0	0	113.2	Q15 D69 V74	Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 WeakPolarHBondContact O-CG 3.46Å; Q11-Q15 PolarHBondContact O-N 3.48Å; Q11-D69 PolarHBondContact N-OD2 3.44Å; Q11-V74 HydrophobicContact CG-CG2 4.32Å
12	A	95.6	Very high	96.1	Very high	29 Å²	29	20 Å²	20	24%	0.24	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-48.3	-178.1	0	0	0	0	0	111.5	G10 T14 Q15 M16	G10-A12 PolarHBondContact O-N 3.15Å; A12-T14 PolarHBondContact O-N 3.15Å; A12-Q15 PolarHBondContact O-N 2.69Å; A12-M16 WeakPolarHBondContact O-CG 3.44Å; A12-M16 PolarHBondContact O-N 3.44Å
13	G	97.8	Very high	96.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.1	-48.5	177.8	0	0	0	0	0	112.3	H8 V9 G10 Q15 M16 G17 F138	H8-G13 PolarHBondContact ND1-O 3.06Å; V9-G13 WeakPolarHBondContact O-CA 3.26Å; V9-G13 PolarHBondContact O-N 3.07Å; G10-G13 PolarHBondContact O-N 3.41Å; G13-Q15 PolarHBondContact O-N 3.02Å; G13-M16 PolarHBondContact O-N 3.07Å; G13-G17 PolarHBondContact O-N 3.43Å; G13-F138 VanDerWaalsContact CA-O 3.22Å; G13-F138 WeakPolarHBondContact CA-O 3.5Å
14	T	97.9	Very high	96.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-44.6	178.8	-58.8	0	0	0	0	112.4	G10 A12 G17 D18 F67 V74 I75 L78	G10-T14 VanDerWaalsContact O-CB 3.27Å; G10-T14 WeakPolarHBondContact O-CB 3.24Å; G10-T14 PolarHBondContact O-N 2.9Å; G10-T14 PolarHBondContact O-OG1 3.42Å; A12-T14 PolarHBondContact O-N 3.15Å; T14-G17 PolarHBondContact O-N 2.94Å; T14-D18 PolarHBondContact O-N 3.17Å; T14-F67 HydrophobicContact CG2-CD1 3.91Å; T14-F67 HydrophobicContact CG2-CE1 4.5Å; T14-V74 HydrophobicContact CG2-CB 4.36Å; T14-V74 HydrophobicContact CG2-CG1 3.97Å; T14-V74 HydrophobicContact CG2-CG2 3.64Å; T14-I75 HydrophobicContact CG2-CD1 4.13Å; T14-L78 HydrophobicContact CG2-CD1 3.45Å; T14-L78 VanDerWaalsContact CG2-CD1 3.45Å; T14-L78 HydrophobicContact CG2-CG 3.96Å
15	Q	96.9	Very high	96.8	Very high	33 Å²	33	14.6 Å²	14.6	15%	0.154	8%	0.077	C	C	.	.	H	α-helix	trans	-71.2	-35	-179.5	-69.4	175.5	2	0	0	113	Q11 A12 G13 G17 S19 V74 N228	Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 WeakPolarHBondContact O-CG 3.46Å; Q11-Q15 PolarHBondContact O-N 3.48Å; A12-Q15 PolarHBondContact O-N 2.69Å; G13-Q15 PolarHBondContact O-N 3.02Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-S19 PolarHBondContact O-N 3.43Å; Q15-S19 PolarHBondContact O-OG 3.09Å; Q15-V74 HydrophobicContact CG-CG2 3.97Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.44Å; Q15-N228 PolarHBondContact O-ND2 2.84Å
16	M	97.7	Very high	96.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-46.2	169.7	-72.9	-171.8	-67.8	0	0	110.2	A12 G13 D18 S19 C20 F138 H139 V171 I231	A12-M16 WeakPolarHBondContact O-CG 3.44Å; A12-M16 PolarHBondContact O-N 3.44Å; G13-M16 PolarHBondContact O-N 3.07Å; M16-D18 PolarHBondContact O-N 3.41Å; M16-S19 PolarHBondContact O-N 3.07Å; M16-C20 PolarHBondContact O-N 3.09Å; M16-C20 PolarHBondContact O-SG 3.42Å; M16-F138 HydrophobicContact CB-CD1 4.31Å; M16-F138 HydrophobicContact CE-CB 4.13Å; M16-H139 WeakPolarHBondContact CE-O 3.28Å; M16-V171 HydrophobicContact CE-CG2 3.84Å; M16-V171 HydrophobicContact SD-CG2 3.64Å; M16-I231 HydrophobicContact CG-CD1 4.19Å; M16-I231 HydrophobicContact CG-CG2 4.4Å; M16-I231 HydrophobicContact SD-CD1 3.9Å; M16-I231 HydrophobicContact SD-CG2 4Å
17	G	97.1	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.2	-48.2	177.7	0	0	0	0	0	113.4	H8 G13 T14 Q15 S19 C20 W21	H8-G17 WeakPolarHBondContact CE1-CA 3.38Å; H8-G17 WeakPolarHBondContact ND1-CA 3.22Å; G13-G17 PolarHBondContact O-N 3.43Å; T14-G17 PolarHBondContact O-N 2.94Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; G17-S19 VanDerWaalsContact C-N 3.29Å; G17-S19 PolarHBondContact O-N 3.24Å; G17-C20 PolarHBondContact O-N 2.92Å; G17-C20 VanDerWaalsContact O-N 3.09Å; G17-W21 PolarHBondContact O-N 2.82Å
18	D	95.7	Very high	96	Very high	66 Å²	66	17.5 Å²	17.5	35%	0.353	9%	0.092	S	C	.	.	H	α-helix	trans	-52.7	-47.5	177.8	-166.1	30	0	0	0	111.8	T14 M16 E22 L78	T14-D18 PolarHBondContact O-N 3.17Å; M16-D18 PolarHBondContact O-N 3.41Å; D18-E22 PolarHBondContact O-N 2.89Å; D18-E22 VanDerWaalsContact O-N 3.09Å; D18-L78 HydrophobicContact CB-CD2 3.85Å; D18-L78 WeakPolarHBondContact OD1-CD2 3.33Å
19	S	95.7	Very high	95.6	Very high	13 Å²	13	18 Å²	18	9%	0.091	10%	0.098	C	C	.	.	H	α-helix	trans	-68.4	-36.9	178.5	-59.1	0	0	0	0	112.9	Q15 M16 G17 L23 N228	Q15-S19 PolarHBondContact O-N 3.43Å; Q15-S19 PolarHBondContact O-OG 3.09Å; M16-S19 PolarHBondContact O-N 3.07Å; G17-S19 VanDerWaalsContact C-N 3.29Å; G17-S19 PolarHBondContact O-N 3.24Å; S19-L23 PolarHBondContact O-N 2.59Å; S19-N228 VanDerWaalsContact OG-CB 3.28Å; S19-N228 WeakPolarHBondContact OG-CB 3.27Å
20	C	96.6	Very high	95.3	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-67.9	-43.9	178.4	-66.4	0	0	0	0	112	M16 G17 L23 Y24 V235	M16-C20 PolarHBondContact O-N 3.09Å; M16-C20 PolarHBondContact O-SG 3.42Å; G17-C20 PolarHBondContact O-N 2.92Å; G17-C20 VanDerWaalsContact O-N 3.09Å; C20-L23 WeakPolarHBondContact O-CB 3.33Å; C20-L23 PolarHBondContact O-N 3.36Å; C20-Y24 PolarHBondContact O-N 3.45Å; C20-V235 HydrophobicContact CB-CG1 4.43Å
21	W	96.9	Very high	95.2	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-72.4	-35	-178.9	-72.9	109.6	0	0	0	112.5	H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87	H8-W21 AromaticContact CD2-NE1 3.81Å; H8-W21 AromaticContact NE2-CD1 3.94Å; H8-W21 AromaticContact NE2-NE1 3.14Å; H8-W21 PolarHBondContact NE2-NE1 2.76Å; H8-W21 VanDerWaalsContact NE2-NE1 3.14Å; G17-W21 PolarHBondContact O-N 2.82Å; W21-L23 VanDerWaalsContact C-N 3.27Å; W21-L23 PolarHBondContact O-N 2.95Å; W21-Y24 HydrophobicContact CD2-CD2 4.27Å; W21-Y24 AromaticContact CE3-CD2 3.69Å; W21-Y24 HydrophobicContact CE3-CD2 3.69Å; W21-Y24 HydrophobicContact CH2-CD2 4.31Å; W21-Y24 AromaticContact CZ3-CD2 3.73Å; W21-Y24 HydrophobicContact CZ3-CD2 3.73Å; W21-Y24 HydrophobicContact CZ3-CE2 4.38Å; W21-Y24 PolarHBondContact O-N 3.32Å; W21-C25 WeakPolarHBondContact O-CB 3.33Å; W21-C25 PolarHBondContact O-N 3.4Å; W21-C25 PolarHBondContact O-SG 3.17Å; W21-F52 HydrophobicContact CH2-CB 3.96Å; W21-F52 HydrophobicContact CH2-CD1 4.28Å; W21-F52 WeakPolarHBondContact CH2-O 3.45Å; W21-F52 HydrophobicContact CZ3-CB 4.05Å; W21-F53 HydrophobicContact CE3-CE1 4.07Å; W21-F53 HydrophobicContact CE3-CE2 4.48Å; W21-F53 AromaticContact CE3-CZ 3.8Å; W21-F53 HydrophobicContact CE3-CZ 3.8Å; W21-F53 HydrophobicContact CZ3-CD1 4.49Å; W21-F53 AromaticContact CZ3-CE1 3.98Å; W21-F53 HydrophobicContact CZ3-CE1 3.98Å; W21-F53 HydrophobicContact CZ3-CE2 4.04Å; W21-F53 AromaticContact CZ3-CZ 3.74Å; W21-F53 HydrophobicContact CZ3-CZ 3.74Å; W21-P63 HydrophobicContact CD2-CB 3.97Å; W21-P63 HydrophobicContact CD2-CG 4.15Å; W21-P63 HydrophobicContact CE3-CB 3.71Å; W21-P63 HydrophobicContact CE3-CG 3.76Å; W21-P63 HydrophobicContact CH2-CB 3.66Å; W21-P63 HydrophobicContact CZ2-CB 3.91Å; W21-P63 HydrophobicContact CZ3-CB 3.55Å; W21-P63 HydrophobicContact CZ3-CG 3.98Å; W21-A65 HydrophobicContact CZ2-CB 3.62Å; W21-F67 AromaticContact CD1-CZ 3.63Å; W21-F67 AromaticContact NE1-CZ 3.76Å; W21-F87 HydrophobicContact CB-CE1 4.01Å; W21-F87 HydrophobicContact CB-CZ 3.77Å; W21-F87 AromaticContact CD1-CE1 3.71Å; W21-F87 AromaticContact CD1-CZ 3.95Å; W21-F87 HydrophobicContact CD2-CE1 4.24Å; W21-F87 AromaticContact CG-CE1 3.72Å; W21-F87 HydrophobicContact CG-CE1 3.72Å; W21-F87 AromaticContact CG-CZ 3.93Å; W21-F87 HydrophobicContact CG-CZ 3.93Å
22	E	96.2	Very high	95.2	Very high	44 Å²	44	19.8 Å²	19.8	21%	0.206	11%	0.11	C	C	.	.	H	α-helix	trans	-53.7	-48	167.2	165.5	164.3	-114.8	0	0	110.6	D18 C25 L26 Y83 V363	D18-E22 PolarHBondContact O-N 2.89Å; D18-E22 VanDerWaalsContact O-N 3.09Å; E22-C25 WeakPolarHBondContact O-CB 3.23Å; E22-C25 PolarHBondContact O-N 3.26Å; E22-L26 HydrophobicContact CG-CD1 4.17Å; E22-L26 WeakPolarHBondContact O-CG 3.41Å; E22-L26 PolarHBondContact O-N 2.97Å; E22-Y83 HydrophobicContact CB-CE2 3.79Å; E22-Y83 HydrophobicContact CG-CE2 4Å; E22-Y83 WeakPolarHBondContact CG-OH 3.47Å; E22-V363 HydrophobicContact CG-CG1 4.41Å; E22-V363 HydrophobicContact CG-CG2 4.05Å
23	L	95.1	Very high	95.1	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-65.2	-43.6	179.3	-176.5	59.7	0	0	0	112.4	S19 C20 W21 C25 L26 E27 G232 T361	S19-L23 PolarHBondContact O-N 2.59Å; C20-L23 WeakPolarHBondContact O-CB 3.33Å; C20-L23 PolarHBondContact O-N 3.36Å; W21-L23 VanDerWaalsContact C-N 3.27Å; W21-L23 PolarHBondContact O-N 2.95Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 2.86Å; L23-L26 PolarHBondContact O-N 3.41Å; L23-E27 HydrophobicContact CD1-CG 4.3Å; L23-E27 HydrophobicContact CG-CG 4.43Å; L23-E27 WeakPolarHBondContact O-CB 3.38Å; L23-E27 VanDerWaalsContact O-CG 3.32Å; L23-E27 WeakPolarHBondContact O-CG 3.44Å; L23-E27 PolarHBondContact O-N 3.13Å; L23-G232 WeakPolarHBondContact CD2-O 3.36Å; L23-T361 HydrophobicContact CD1-CG2 4.09Å; L23-T361 VanDerWaalsContact CD1-O 3.24Å; L23-T361 WeakPolarHBondContact CD1-O 3.39Å
24	Y	94.9	Very high	94.9	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-41.5	175.4	-72.4	-4.9	0	0	0	112.2	C20 W21 L26 E27 H28 F52 V235 T239	C20-Y24 PolarHBondContact O-N 3.45Å; W21-Y24 HydrophobicContact CD2-CD2 4.27Å; W21-Y24 AromaticContact CE3-CD2 3.69Å; W21-Y24 HydrophobicContact CE3-CD2 3.69Å; W21-Y24 HydrophobicContact CH2-CD2 4.31Å; W21-Y24 AromaticContact CZ3-CD2 3.73Å; W21-Y24 HydrophobicContact CZ3-CD2 3.73Å; W21-Y24 HydrophobicContact CZ3-CE2 4.38Å; W21-Y24 PolarHBondContact O-N 3.32Å; Y24-L26 PolarHBondContact O-N 3.45Å; Y24-E27 PolarHBondContact O-N 3.45Å; Y24-H28 WeakPolarHBondContact O-CB 3.46Å; Y24-H28 PolarHBondContact O-CD2 3.13Å; Y24-H28 PolarHBondContact O-N 3.02Å; Y24-F52 HydrophobicContact CE2-CD1 4.23Å; Y24-F52 HydrophobicContact CE2-CG 4.28Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.02Å; Y24-T239 WeakPolarHBondContact OH-CB 3.45Å; Y24-T239 VanDerWaalsContact OH-CG2 3.23Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.32Å; Y24-T239 PolarHBondContact OH-OG1 3.15Å
25	C	94.9	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-47.7	175.1	-82	0	0	0	0	111.4	W21 E22 L23 E27 H28 G29 I30 Y83 L86	W21-C25 WeakPolarHBondContact O-CB 3.33Å; W21-C25 PolarHBondContact O-N 3.4Å; W21-C25 PolarHBondContact O-SG 3.17Å; E22-C25 WeakPolarHBondContact O-CB 3.23Å; E22-C25 PolarHBondContact O-N 3.26Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 2.86Å; C25-E27 PolarHBondContact O-N 3.14Å; C25-H28 PolarHBondContact O-N 3.02Å; C25-G29 PolarHBondContact O-N 3.12Å; C25-I30 CarbonylContact C-O 3.53Å; C25-I30 HydrophobicContact CB-CB 4.35Å; C25-I30 VanDerWaalsContact CB-O 3.31Å; C25-I30 WeakPolarHBondContact CB-O 3.37Å; C25-I30 PolarHBondContact O-N 3Å; C25-Y83 HydrophobicContact CB-CE1 4.04Å; C25-L86 VanDerWaalsContact SG-CD2 3.53Å
26	L	93.7	Very high	94.2	Very high	57 Å²	57	25.4 Å²	25.4	30%	0.298	13%	0.134	S	C	.	.	H	α-helix	trans	-63.1	-39.9	177.1	-67.5	170.7	0	0	0	112.7	E22 L23 Y24 H28 T361 V363	E22-L26 HydrophobicContact CG-CD1 4.17Å; E22-L26 WeakPolarHBondContact O-CG 3.41Å; E22-L26 PolarHBondContact O-N 2.97Å; L23-L26 PolarHBondContact O-N 3.41Å; Y24-L26 PolarHBondContact O-N 3.45Å; L26-H28 VanDerWaalsContact C-N 3.34Å; L26-H28 PolarHBondContact O-N 3.39Å; L26-T361 HydrophobicContact CB-CG2 3.76Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.41Å; L26-V363 HydrophobicContact CD1-CG2 3.98Å
27	E	92.5	Very high	93.5	Very high	7 Å²	7	28 Å²	28	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-32	178.6	-74.3	-177	145.1	0	0	113.3	L23 Y24 C25 S236 R243 F244 R320 T361	L23-E27 HydrophobicContact CD1-CG 4.3Å; L23-E27 HydrophobicContact CG-CG 4.43Å; L23-E27 WeakPolarHBondContact O-CB 3.38Å; L23-E27 VanDerWaalsContact O-CG 3.32Å; L23-E27 WeakPolarHBondContact O-CG 3.44Å; L23-E27 PolarHBondContact O-N 3.13Å; Y24-E27 PolarHBondContact O-N 3.45Å; C25-E27 PolarHBondContact O-N 3.14Å; E27-S236 PolarHBondContact OE1-OG 3.37Å; E27-S236 PolarHBondContact OE2-OG 3.39Å; E27-R243 IonicContact OE2-CZ 2.71Å; E27-R243 IonicContact OE2-NH1 2.64Å; E27-R243 PolarHBondContact OE2-NH1 3.08Å; E27-R243 IonicContact OE2-NH2 2.91Å; E27-R243 PolarHBondContact OE2-NH2 3.21Å; E27-F244 HydrophobicContact CB-CE2 4.43Å; E27-F244 HydrophobicContact CB-CZ 3.94Å; E27-R320 IonicContact OE1-CZ 3.44Å; E27-R320 IonicContact OE1-NH1 3.28Å; E27-R320 IonicContact OE1-NH2 3.99Å; E27-R320 PolarHBondContact OE1-NH2 3.47Å; E27-T361 HydrophobicContact CG-CG2 4.25Å; E27-T361 WeakPolarHBondContact CG-OG1 3.3Å
28	H	90.9	Very high	92.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-99	-2.9	-179.3	-70.8	-70.7	0	0	0	114.1	Y24 C25 L26 I30 N44 R243 F244	Y24-H28 WeakPolarHBondContact O-CB 3.46Å; Y24-H28 PolarHBondContact O-CD2 3.13Å; Y24-H28 PolarHBondContact O-N 3.02Å; C25-H28 PolarHBondContact O-N 3.02Å; L26-H28 VanDerWaalsContact C-N 3.34Å; L26-H28 PolarHBondContact O-N 3.39Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.87Å; H28-I30 HydrophobicContact CB-CG1 4.01Å; H28-N44 PolarHBondContact O-ND2 3.05Å; H28-N44 VanDerWaalsContact O-ND2 3.11Å; H28-R243 PolarHBondContact NE2-NH1 3.48Å; H28-R243 VanDerWaalsContact NE2-NH1 3.15Å; H28-F244 AromaticContact CE1-CE1 3.52Å; H28-F244 AromaticContact CE1-CZ 3.52Å; H28-F244 AromaticContact ND1-CE1 3.9Å; H28-F244 AromaticContact NE2-CZ 3.72Å
29	G	90.8	Very high	91.2	Very high	12 Å²	12	37.1 Å²	37.1	12%	0.124	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	21.3	-176.3	0	0	0	0	0	114.3	C25 P37	C25-G29 PolarHBondContact O-N 3.12Å; G29-P37 WeakPolarHBondContact O-CD 3.43Å
30	I	92.7	Very high	89.7	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.036	22%	0.218	C	C	.	.			trans	-85.4	125.6	178.6	-60.9	168.8	0	0	0	108.3	C25 H28 V36 F53 Y61 L86	C25-I30 CarbonylContact C-O 3.53Å; C25-I30 HydrophobicContact CB-CB 4.35Å; C25-I30 VanDerWaalsContact CB-O 3.31Å; C25-I30 WeakPolarHBondContact CB-O 3.37Å; C25-I30 PolarHBondContact O-N 3Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.87Å; H28-I30 HydrophobicContact CB-CG1 4.01Å; I30-V36 HydrophobicContact CG1-CG2 3.97Å; I30-F53 HydrophobicContact CD1-CD1 3.92Å; I30-F53 HydrophobicContact CD1-CD2 3.97Å; I30-F53 HydrophobicContact CD1-CE1 3.81Å; I30-F53 HydrophobicContact CD1-CE2 3.87Å; I30-F53 HydrophobicContact CD1-CG 4Å; I30-F53 HydrophobicContact CD1-CZ 3.79Å; I30-Y61 HydrophobicContact CD1-CG 4.27Å; I30-L86 HydrophobicContact CG2-CD1 4.2Å
31	Q	94.4	Very high	87.8	Confident	91 Å²	91	44.8 Å²	44.8	43%	0.425	26%	0.257	S	S	.	.			trans	-74.1	162.3	176.2	-64.2	-58.4	-48.7	0	0	111.3	D33 G34 K35 P37	Q31-D33 WeakPolarHBondContact CB-OD1 3.38Å; Q31-D33 PolarHBondContact O-N 3.41Å; Q31-G34 PolarHBondContact O-N 3.01Å; Q31-K35 WeakPolarHBondContact CB-O 3.14Å; Q31-K35 PolarHBondContact N-O 2.97Å; Q31-P37 HydrophobicContact CG-CG 3.99Å
32	P	94.9	Very high	85.9	Confident	43 Å²	43	48.3 Å²	48.3	28%	0.279	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.7	179.4	-25.6	34.5	0	0	0	115.9	S82 Y83 L86	P32-S82 WeakPolarHBondContact CB-O 3.47Å; P32-Y83 HydrophobicContact CB-CD1 3.66Å; P32-Y83 HydrophobicContact CB-CE1 3.77Å; P32-Y83 HydrophobicContact CB-CG 4.21Å; P32-Y83 HydrophobicContact CG-CD1 4.18Å; P32-Y83 HydrophobicContact CG-CE1 3.75Å; P32-L86 PolarHBondContact O-N 2.81Å
33	D	93.9	Very high	83.7	Confident	39 Å²	39	54.5 Å²	54.5	21%	0.209	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	4.7	173.8	75.7	-20.6	0	0	0	114	Q31 K35 Q85	Q31-D33 WeakPolarHBondContact CB-OD1 3.38Å; Q31-D33 PolarHBondContact O-N 3.41Å; D33-K35 WeakPolarHBondContact OD1-CB 3.36Å; D33-K35 PolarHBondContact OD1-N 3.18Å; D33-K35 VanDerWaalsContact OD1-N 3.1Å; D33-K35 VanDerWaalsContact OD2-CD 3.28Å; D33-K35 WeakPolarHBondContact OD2-CD 3.44Å; D33-K35 WeakPolarHBondContact OD2-CE 3.45Å; D33-K35 IonicContact OD2-NZ 3.72Å; D33-Q85 HydrophobicContact CB-CB 4.28Å
34	G	93.6	Very high	81.7	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.01	31%	0.312	C	S	.	.	S	Bend	trans	82.5	6.5	-179.4	0	0	0	0	0	114.6	Q31 R60 Y61	Q31-G34 PolarHBondContact O-N 3.01Å; G34-R60 CarbonylContact O-C 3.59Å; G34-R60 WeakPolarHBondContact O-CA 3.31Å; G34-Y61 WeakPolarHBondContact CA-O 3.45Å; G34-Y61 PolarHBondContact O-N 2.96Å
35	K	92.7	Very high	79.5	Confident	95 Å²	95	63 Å²	63	41%	0.413	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-94.7	151.5	179.8	-63.5	-178	-170.7	161.9	0	112.6	Q31 D33 R60	Q31-K35 WeakPolarHBondContact CB-O 3.14Å; Q31-K35 PolarHBondContact N-O 2.97Å; D33-K35 WeakPolarHBondContact OD1-CB 3.36Å; D33-K35 PolarHBondContact OD1-N 3.18Å; D33-K35 VanDerWaalsContact OD1-N 3.1Å; D33-K35 VanDerWaalsContact OD2-CD 3.28Å; D33-K35 WeakPolarHBondContact OD2-CD 3.44Å; D33-K35 WeakPolarHBondContact OD2-CE 3.45Å; D33-K35 IonicContact OD2-NZ 3.72Å; K35-R60 HydrophobicContact CG-CG 4.3Å
36	V	87.9	Confident	77.4	Confident	47 Å²	47	67.4 Å²	67.4	29%	0.285	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-102.6	125.8	168.3	-179.8	0	0	0	0	108.4	I30 S40 Y61	I30-V36 HydrophobicContact CG1-CG2 3.97Å; V36-S40 WeakPolarHBondContact CG1-OG 3.35Å; V36-Y61 HydrophobicContact CB-CE2 4.45Å; V36-Y61 HydrophobicContact CG2-CD2 3.8Å; V36-Y61 HydrophobicContact CG2-CE2 3.59Å
37	P	83.2	Confident	75.9	Confident	54 Å²	54	70.5 Å²	70.5	35%	0.351	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.4	140.7	177	-22.3	33.5	0	0	0	112.1	G29 Q31 D39 S40	G29-P37 WeakPolarHBondContact O-CD 3.43Å; Q31-P37 HydrophobicContact CG-CG 3.99Å; P37-D39 PolarHBondContact O-N 3.37Å; P37-S40 WeakPolarHBondContact O-CB 3.4Å; P37-S40 PolarHBondContact O-N 3.21Å; P37-S40 VanDerWaalsContact O-N 3.14Å; P37-S40 PolarHBondContact O-OG 2.97Å
38	S	74.8	Confident	74.9	Confident	115 Å²	115	70.9 Å²	70.9	80%	0.804	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.6	177.4	54.6	0	0	0	0	113.1	S40	S38-S40 VanDerWaalsContact C-N 3.27Å; S38-S40 PolarHBondContact O-N 3.5Å
39	D	69.1	Low	74.2	Confident	144 Å²	144	72.3 Å²	72.3	77%	0.77	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	11.4	-175.1	-59.9	-3.2	0	0	0	112.2	P37 T41	P37-D39 PolarHBondContact O-N 3.37Å; D39-T41 PolarHBondContact O-N 2.9Å; D39-T41 VanDerWaalsContact O-N 3.1Å
40	S	64	Low	73.9	Confident	41 Å²	41	72.5 Å²	72.5	29%	0.287	40%	0.396	S	S	.	.			trans	-64.2	115.6	179.7	55.1	0	0	0	0	110.4	V36 P37 S38 I42	V36-S40 WeakPolarHBondContact CG1-OG 3.35Å; P37-S40 WeakPolarHBondContact O-CB 3.4Å; P37-S40 PolarHBondContact O-N 3.21Å; P37-S40 VanDerWaalsContact O-N 3.14Å; P37-S40 PolarHBondContact O-OG 2.97Å; S38-S40 VanDerWaalsContact C-N 3.27Å; S38-S40 PolarHBondContact O-N 3.5Å; S40-I42 PolarHBondContact O-N 2.99Å
41	T	56.1	Low	73.7	Confident	135 Å²	135	72.5 Å²	72.5	83%	0.828	40%	0.397	S	S	*	.			trans	-71.9	-9.6	171.2	50.7	0	0	0	0	112.5	D39 K43	D39-T41 PolarHBondContact O-N 2.9Å; D39-T41 VanDerWaalsContact O-N 3.1Å; T41-K43 PolarHBondContact O-N 3.38Å
42	I	58	Low	73.7	Confident	74 Å²	74	68.2 Å²	68.2	38%	0.379	38%	0.377	S	S	.	.			trans	-67.8	82.6	166.8	-50.4	175.1	0	0	0	106.2	S40 N44	S40-I42 PolarHBondContact O-N 2.99Å; I42-N44 WeakPolarHBondContact CG2-OD1 3.38Å; I42-N44 PolarHBondContact O-N 3.34Å
43	K	49.3	Very low	73.7	Confident	175 Å²	175	66.2 Å²	66.2	76%	0.761	36%	0.364	S	S	*	.			trans	-60.4	88.1	168	-77.1	-173.7	173.3	-172.4	0	107.6	T41 D45	T41-K43 PolarHBondContact O-N 3.38Å; K43-D45 PolarHBondContact O-N 3.4Å
44	N	52.7	Low	73.7	Confident	46 Å²	46	65.4 Å²	65.4	25%	0.246	36%	0.361	C	S	.	.			trans	-74.6	62.9	170.2	-74.3	-25.7	0	0	0	108.1	H28 I42 N46 F49	H28-N44 PolarHBondContact O-ND2 3.05Å; H28-N44 VanDerWaalsContact O-ND2 3.11Å; I42-N44 WeakPolarHBondContact CG2-OD1 3.38Å; I42-N44 PolarHBondContact O-N 3.34Å; N44-N46 PolarHBondContact O-N 2.66Å; N44-F49 HydrophobicContact CB-CD1 4.47Å; N44-F49 HydrophobicContact CB-CE1 4.1Å
45	D	48.6	Very low	73.5	Confident	138 Å²	138	71.3 Å²	71.3	74%	0.738	39%	0.389	S	S	*	.			trans	-67.4	6.5	177.1	-91.6	-21	0	0	0	112.7	K43	K43-D45 PolarHBondContact O-N 3.4Å
46	N	52.8	Low	73.4	Confident	94 Å²	94	68.9 Å²	68.9	50%	0.503	38%	0.382	S	S	.	.	S	Bend	trans	-130	138.4	-179.8	-74	-33	0	0	0	110.3	N44 S48 F49	N44-N46 PolarHBondContact O-N 2.66Å; N46-S48 PolarHBondContact O-N 2.64Å; N46-S48 PolarHBondContact O-OG 3.3Å; N46-F49 WeakPolarHBondContact O-CE1 3.43Å
47	D	62.2	Low	73.4	Confident	121 Å²	121	72.2 Å²	72.2	65%	0.647	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-53.1	15.3	165.4	-68.4	-34.7	0	0	0	114.9	F49 S50	D47-F49 VanDerWaalsContact C-N 3.25Å; D47-F49 PolarHBondContact O-N 3.03Å; D47-F49 VanDerWaalsContact O-N 3.16Å; D47-S50 VanDerWaalsContact O-CB 3.28Å; D47-S50 WeakPolarHBondContact O-CB 3.41Å; D47-S50 PolarHBondContact O-N 2.84Å; D47-S50 PolarHBondContact O-OG 3.27Å
48	S	69.6	Low	73.6	Confident	16 Å²	16	79.3 Å²	79.3	11%	0.112	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-43.7	-40	177.8	52.3	0	0	0	0	115.6	N46 S50 T51 R243	N46-S48 PolarHBondContact O-N 2.64Å; N46-S48 PolarHBondContact O-OG 3.3Å; S48-S50 VanDerWaalsContact C-N 3.32Å; S48-S50 PolarHBondContact O-N 3.06Å; S48-T51 PolarHBondContact O-OG1 2.84Å; S48-R243 WeakPolarHBondContact CB-O 3.17Å
49	F	76.4	Confident	74.2	Confident	30 Å²	30	75.4 Å²	75.4	13%	0.132	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-70.4	-28.6	-179.1	39.3	-94.9	0	0	0	112.2	N44 N46 D47 T51 F52 F53 Y61	N44-F49 HydrophobicContact CB-CD1 4.47Å; N44-F49 HydrophobicContact CB-CE1 4.1Å; N46-F49 WeakPolarHBondContact O-CE1 3.43Å; D47-F49 VanDerWaalsContact C-N 3.25Å; D47-F49 PolarHBondContact O-N 3.03Å; D47-F49 VanDerWaalsContact O-N 3.16Å; F49-T51 PolarHBondContact O-N 3.36Å; F49-F52 PolarHBondContact O-N 3.26Å; F49-F52 VanDerWaalsContact O-N 3.09Å; F49-F53 HydrophobicContact CB-CD2 4.41Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.13Å; F49-Y61 HydrophobicContact CD2-CD1 4.02Å; F49-Y61 AromaticContact CD2-CE1 3.42Å; F49-Y61 HydrophobicContact CD2-CE1 3.42Å; F49-Y61 VanDerWaalsContact CD2-CE1 3.42Å; F49-Y61 AromaticContact CE2-CE1 3.61Å; F49-Y61 HydrophobicContact CE2-CE1 3.61Å; F49-Y61 HydrophobicContact CG-CD1 4.48Å; F49-Y61 HydrophobicContact CG-CE1 4.06Å; F49-Y61 HydrophobicContact CZ-CE1 4.38Å
50	S	84.8	Confident	75.3	Confident	16 Å²	16	72.8 Å²	72.8	11%	0.112	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-58.5	-27.2	-174.4	67.7	0	0	0	0	113.6	M1 E3 D47 S48 F52 F53 R64	M1-S50 VanDerWaalsContact SD-CB 3.57Å; M1-S50 PolarHBondContact SD-OG 3.37Å; M1-S50 VanDerWaalsContact SD-OG 3.39Å; E3-S50 WeakPolarHBondContact CG-O 3.37Å; D47-S50 VanDerWaalsContact O-CB 3.28Å; D47-S50 WeakPolarHBondContact O-CB 3.41Å; D47-S50 PolarHBondContact O-N 2.84Å; D47-S50 PolarHBondContact O-OG 3.27Å; S48-S50 VanDerWaalsContact C-N 3.32Å; S48-S50 PolarHBondContact O-N 3.06Å; S50-F52 VanDerWaalsContact C-N 3.32Å; S50-F52 PolarHBondContact O-N 3.05Å; S50-F53 CarbonylContact C-O 3.59Å; S50-F53 WeakPolarHBondContact CA-O 3.25Å; S50-R64 PolarHBondContact O-NE 2.7Å; S50-R64 PolarHBondContact O-NH2 3.25Å
51	T	89.9	Confident	76.7	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.043	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-53.9	-45.7	176.2	-57.4	0	0	0	0	111.6	R2 E3 C4 S48 F49 L242	R2-T51 WeakPolarHBondContact O-CG2 3.37Å; E3-T51 WeakPolarHBondContact CA-O 3.29Å; C4-T51 PolarHBondContact N-O 2.81Å; S48-T51 PolarHBondContact O-OG1 2.84Å; F49-T51 PolarHBondContact O-N 3.36Å; T51-L242 HydrophobicContact CG2-CB 3.7Å; T51-L242 HydrophobicContact CG2-CD1 4.22Å; T51-L242 PolarHBondContact OG1-O 3.41Å
52	F	94	Very high	78.6	Confident	1 Å²	1	66.8 Å²	66.8	0%	0.004	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-13.8	-174.1	-71.6	-78.6	0	0	0	114.3	C4 W21 Y24 F49 S50 P63 R64 L136 T239 L242 R243	C4-F52 HydrophobicContact CB-CD1 4.29Å; C4-F52 HydrophobicContact CB-CE1 3.71Å; C4-F52 HydrophobicContact CB-CZ 4.13Å; W21-F52 HydrophobicContact CH2-CB 3.96Å; W21-F52 HydrophobicContact CH2-CD1 4.28Å; W21-F52 WeakPolarHBondContact CH2-O 3.45Å; W21-F52 HydrophobicContact CZ3-CB 4.05Å; Y24-F52 HydrophobicContact CE2-CD1 4.23Å; Y24-F52 HydrophobicContact CE2-CG 4.28Å; F49-F52 PolarHBondContact O-N 3.26Å; F49-F52 VanDerWaalsContact O-N 3.09Å; S50-F52 VanDerWaalsContact C-N 3.32Å; S50-F52 PolarHBondContact O-N 3.05Å; F52-P63 CarbonylContact O-C 3.28Å; F52-R64 PolarHBondContact O-N 3.49Å; F52-L136 HydrophobicContact CE1-CD1 3.68Å; F52-L136 HydrophobicContact CZ-CD1 4.04Å; F52-T239 HydrophobicContact CE1-CG2 4.39Å; F52-T239 HydrophobicContact CE2-CG2 4.29Å; F52-T239 HydrophobicContact CZ-CG2 3.62Å; F52-L242 HydrophobicContact CE2-CB 4.41Å; F52-L242 HydrophobicContact CE2-CD1 4.23Å; F52-L242 HydrophobicContact CZ-CD1 4.08Å; F52-R243 HydrophobicContact CD2-CG 3.6Å; F52-R243 HydrophobicContact CE2-CG 3.63Å
53	F	94.6	Very high	80.4	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.1	177.8	-63.2	-92.8	0	0	0	109.9	W21 I30 F49 S50 Y61 V62 P63 L86	W21-F53 HydrophobicContact CE3-CE1 4.07Å; W21-F53 HydrophobicContact CE3-CE2 4.48Å; W21-F53 AromaticContact CE3-CZ 3.8Å; W21-F53 HydrophobicContact CE3-CZ 3.8Å; W21-F53 HydrophobicContact CZ3-CD1 4.49Å; W21-F53 AromaticContact CZ3-CE1 3.98Å; W21-F53 HydrophobicContact CZ3-CE1 3.98Å; W21-F53 HydrophobicContact CZ3-CE2 4.04Å; W21-F53 AromaticContact CZ3-CZ 3.74Å; W21-F53 HydrophobicContact CZ3-CZ 3.74Å; I30-F53 HydrophobicContact CD1-CD1 3.92Å; I30-F53 HydrophobicContact CD1-CD2 3.97Å; I30-F53 HydrophobicContact CD1-CE1 3.81Å; I30-F53 HydrophobicContact CD1-CE2 3.87Å; I30-F53 HydrophobicContact CD1-CG 4Å; I30-F53 HydrophobicContact CD1-CZ 3.79Å; F49-F53 HydrophobicContact CB-CD2 4.41Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.13Å; S50-F53 CarbonylContact C-O 3.59Å; S50-F53 WeakPolarHBondContact CA-O 3.25Å; F53-Y61 HydrophobicContact CB-CD1 4.29Å; F53-V62 CarbonylContact C-O 3.54Å; F53-V62 VanDerWaalsContact CA-O 3.31Å; F53-V62 WeakPolarHBondContact CA-O 3.47Å; F53-P63 HydrophobicContact CD1-CG 4.14Å; F53-P63 HydrophobicContact CE1-CG 3.83Å; F53-L86 HydrophobicContact CE1-CD1 4.42Å
54	S	92.7	Very high	82.7	Confident	23 Å²	23	55.6 Å²	55.6	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.8	164.3	60.1	0	0	0	0	109.4	V62	S54-V62 PolarHBondContact N-O 2.9Å; S54-V62 PolarHBondContact O-N 3.19Å; S54-V62 PolarHBondContact OG-O 2.75Å
55	E	90.8	Very high	84.9	Confident	124 Å²	124	53.4 Å²	53.4	58%	0.579	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.7	171	-169.3	179.1	-171.2	0	0	110.4	Y61	E55-Y61 HydrophobicContact CB-CD1 4.19Å; E55-Y61 HydrophobicContact CB-CE1 3.93Å; E55-Y61 HydrophobicContact CG-CD1 4.47Å; E55-Y61 HydrophobicContact CG-CE1 4.01Å
56	T	90.2	Very high	87.2	Confident	45 Å²	45	46.9 Å²	46.9	28%	0.276	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-94.2	160.8	174.7	62	0	0	0	0	110.6	Y58 G59 R60 V62	T56-Y58 PolarHBondContact O-N 2.8Å; T56-G59 PolarHBondContact O-N 3.27Å; T56-R60 PolarHBondContact N-O 2.9Å; T56-R60 WeakPolarHBondContact OG1-CA 3.31Å; T56-R60 WeakPolarHBondContact OG1-CB 3.38Å; T56-R60 PolarHBondContact OG1-N 3.12Å; T56-R60 VanDerWaalsContact OG1-N 3.08Å; T56-R60 PolarHBondContact OG1-O 2.78Å; T56-V62 HydrophobicContact CG2-CG2 3.76Å
57	S	87.8	Confident	89.4	Confident	117 Å²	117	42.5 Å²	42.5	82%	0.818	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16	176	53.7	0	0	0	0	114.7
58	Y	88.2	Confident	91.1	Very high	202 Å²	202	36.8 Å²	36.8	79%	0.792	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	12.3	176.5	-63	-75.9	0	0	0	113.2	T56 R60	T56-Y58 PolarHBondContact O-N 2.8Å; Y58-R60 VanDerWaalsContact C-N 3.27Å; Y58-R60 PolarHBondContact O-N 2.79Å
59	G	86.9	Confident	92.5	Very high	33 Å²	33	36.2 Å²	36.2	34%	0.34	19%	0.188	S	C	.	.	S	Bend	trans	69	22.1	179.7	0	0	0	0	0	114	T56	T56-G59 PolarHBondContact O-N 3.27Å
60	R	91.8	Very high	93.5	Very high	89 Å²	89	34.8 Å²	34.8	34%	0.336	18%	0.182	S	C	.	.			trans	-94.7	141.4	169.9	-59.1	-172.6	-176.1	-157.4	0.3	110.6	G34 K35 T56 Y58	G34-R60 CarbonylContact O-C 3.59Å; G34-R60 WeakPolarHBondContact O-CA 3.31Å; K35-R60 HydrophobicContact CG-CG 4.3Å; T56-R60 PolarHBondContact N-O 2.9Å; T56-R60 WeakPolarHBondContact OG1-CA 3.31Å; T56-R60 WeakPolarHBondContact OG1-CB 3.38Å; T56-R60 PolarHBondContact OG1-N 3.12Å; T56-R60 VanDerWaalsContact OG1-N 3.08Å; T56-R60 PolarHBondContact OG1-O 2.78Å; Y58-R60 VanDerWaalsContact C-N 3.27Å; Y58-R60 PolarHBondContact O-N 2.79Å
61	Y	93.6	Very high	94	Very high	29 Å²	29	36.5 Å²	36.5	11%	0.114	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.7	172.6	-64.3	-84.6	0	0	0	109.9	I30 G34 V36 F49 F53 E55	I30-Y61 HydrophobicContact CD1-CG 4.27Å; G34-Y61 WeakPolarHBondContact CA-O 3.45Å; G34-Y61 PolarHBondContact O-N 2.96Å; V36-Y61 HydrophobicContact CB-CE2 4.45Å; V36-Y61 HydrophobicContact CG2-CD2 3.8Å; V36-Y61 HydrophobicContact CG2-CE2 3.59Å; F49-Y61 HydrophobicContact CD2-CD1 4.02Å; F49-Y61 AromaticContact CD2-CE1 3.42Å; F49-Y61 HydrophobicContact CD2-CE1 3.42Å; F49-Y61 VanDerWaalsContact CD2-CE1 3.42Å; F49-Y61 AromaticContact CE2-CE1 3.61Å; F49-Y61 HydrophobicContact CE2-CE1 3.61Å; F49-Y61 HydrophobicContact CG-CD1 4.48Å; F49-Y61 HydrophobicContact CG-CE1 4.06Å; F49-Y61 HydrophobicContact CZ-CE1 4.38Å; F53-Y61 HydrophobicContact CB-CD1 4.29Å; E55-Y61 HydrophobicContact CB-CD1 4.19Å; E55-Y61 HydrophobicContact CB-CE1 3.93Å; E55-Y61 HydrophobicContact CG-CD1 4.47Å; E55-Y61 HydrophobicContact CG-CE1 4.01Å
62	V	95.6	Very high	94.2	Very high	21 Å²	21	38.4 Å²	38.4	13%	0.127	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.1	-178.6	179	0	0	0	0	108.8	F53 S54 T56 H88	F53-V62 CarbonylContact C-O 3.54Å; F53-V62 VanDerWaalsContact CA-O 3.31Å; F53-V62 WeakPolarHBondContact CA-O 3.47Å; S54-V62 PolarHBondContact N-O 2.9Å; S54-V62 PolarHBondContact O-N 3.19Å; S54-V62 PolarHBondContact OG-O 2.75Å; T56-V62 HydrophobicContact CG2-CG2 3.76Å; V62-H88 HydrophobicContact CG1-CB 4.01Å
63	P	97	Very high	94.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	138.7	174.5	-32.2	39.8	0	0	0	113.5	W21 F52 F53 A65 L86 F87	W21-P63 HydrophobicContact CD2-CB 3.97Å; W21-P63 HydrophobicContact CD2-CG 4.15Å; W21-P63 HydrophobicContact CE3-CB 3.71Å; W21-P63 HydrophobicContact CE3-CG 3.76Å; W21-P63 HydrophobicContact CH2-CB 3.66Å; W21-P63 HydrophobicContact CZ2-CB 3.91Å; W21-P63 HydrophobicContact CZ3-CB 3.55Å; W21-P63 HydrophobicContact CZ3-CG 3.98Å; F52-P63 CarbonylContact O-C 3.28Å; F53-P63 HydrophobicContact CD1-CG 4.14Å; F53-P63 HydrophobicContact CE1-CG 3.83Å; P63-A65 HydrophobicContact CB-CB 3.98Å; P63-A65 PolarHBondContact O-N 3.34Å; P63-L86 VanDerWaalsContact CD-O 3.28Å; P63-L86 WeakPolarHBondContact CD-O 3.18Å; P63-L86 HydrophobicContact CG-CD1 4.21Å; P63-L86 HydrophobicContact CG-CD2 3.82Å; P63-L86 HydrophobicContact CG-CG 3.68Å; P63-F87 HydrophobicContact CB-CD1 4.05Å; P63-F87 HydrophobicContact CB-CE1 4.12Å; P63-F87 HydrophobicContact CG-CD1 3.75Å; P63-F87 HydrophobicContact CG-CE1 3.76Å
64	R	96.8	Very high	94.3	Very high	14 Å²	14	41.5 Å²	41.5	5%	0.053	22%	0.222	C	C	.	.	S	Bend	trans	-80.5	66.2	165	-62.1	-178.8	-168.3	-92.6	8	108.6	E3 C4 I5 S6 S50 F52 R128 C129	E3-R64 IonicContact OE1-CZ 2.84Å; E3-R64 IonicContact OE1-NH1 3.83Å; E3-R64 IonicContact OE1-NH2 2.74Å; E3-R64 PolarHBondContact OE1-NH2 2.8Å; C4-R64 WeakPolarHBondContact O-CB 3.46Å; I5-R64 WeakPolarHBondContact CA-O 3.45Å; I5-R64 HydrophobicContact CG1-CB 4.5Å; S6-R64 PolarHBondContact N-O 3.05Å; S50-R64 PolarHBondContact O-NE 2.7Å; S50-R64 PolarHBondContact O-NH2 3.25Å; F52-R64 PolarHBondContact O-N 3.49Å; R64-R128 PolarHBondContact NH1-O 3.38Å; R64-C129 PolarHBondContact NH1-SG 2.91Å; R64-C129 VanDerWaalsContact NH1-SG 3.4Å
65	A	97.9	Very high	94.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.3	-175.9	0	0	0	0	0	110.9	S6 W21 P63 F67 Q91	S6-A65 CarbonylContact O-C 3.6Å; S6-A65 VanDerWaalsContact O-CA 3.23Å; S6-A65 WeakPolarHBondContact O-CA 3.32Å; W21-A65 HydrophobicContact CZ2-CB 3.62Å; P63-A65 HydrophobicContact CB-CB 3.98Å; P63-A65 PolarHBondContact O-N 3.34Å; A65-F67 HydrophobicContact CB-CD2 4.27Å; A65-F67 HydrophobicContact CB-CE2 3.69Å; A65-F67 HydrophobicContact CB-CZ 4.44Å; A65-Q91 VanDerWaalsContact O-CB 3.25Å; A65-Q91 WeakPolarHBondContact O-CB 3.23Å; A65-Q91 WeakPolarHBondContact O-CG 3.43Å
66	V	98.5	Very high	94.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.4	163.6	-173.8	0	0	0	0	107.2	S6 L7 H8 V68 Q91 I93 V118 I122 L125	S6-V66 PolarHBondContact O-N 3.21Å; L7-V66 HydrophobicContact CD2-CB 3.94Å; L7-V66 HydrophobicContact CD2-CG2 4.07Å; H8-V66 PolarHBondContact N-O 2.79Å; V66-V68 HydrophobicContact CG1-CG2 3.71Å; V66-Q91 WeakPolarHBondContact CA-O 3.44Å; V66-I93 HydrophobicContact CG1-CD1 3.95Å; V66-V118 HydrophobicContact CG1-CG1 4.49Å; V66-I122 HydrophobicContact CG2-CG1 4.02Å; V66-L125 HydrophobicContact CG2-CD1 3.51Å
67	F	98.7	Very high	95.1	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.7	173.4	-66.8	-93.7	0	0	0	108.4	H8 T14 W21 A65 I75 L78 F87 Q91 I93	H8-F67 HydrophobicContact CB-CD1 3.36Å; H8-F67 HydrophobicContact CB-CE1 3.66Å; H8-F67 HydrophobicContact CB-CG 4.09Å; H8-F67 AromaticContact CD2-CD1 4Å; H8-F67 AromaticContact CD2-CE1 3.57Å; H8-F67 AromaticContact CD2-CZ 3.66Å; H8-F67 AromaticContact CG-CD1 3.8Å; H8-F67 AromaticContact CG-CE1 3.55Å; H8-F67 WeakPolarHBondContact O-CA 3.37Å; T14-F67 HydrophobicContact CG2-CD1 3.91Å; T14-F67 HydrophobicContact CG2-CE1 4.5Å; W21-F67 AromaticContact CD1-CZ 3.63Å; W21-F67 AromaticContact NE1-CZ 3.76Å; A65-F67 HydrophobicContact CB-CD2 4.27Å; A65-F67 HydrophobicContact CB-CE2 3.69Å; A65-F67 HydrophobicContact CB-CZ 4.44Å; F67-I75 HydrophobicContact CB-CD1 3.81Å; F67-L78 HydrophobicContact CB-CD1 4.14Å; F67-L78 HydrophobicContact CD1-CD1 3.39Å; F67-L78 HydrophobicContact CD2-CD1 4.2Å; F67-L78 HydrophobicContact CE1-CD1 3.67Å; F67-L78 HydrophobicContact CE2-CD1 4.46Å; F67-L78 HydrophobicContact CG-CD1 3.65Å; F67-L78 HydrophobicContact CZ-CD1 4.19Å; F67-F87 HydrophobicContact CD2-CD1 4.38Å; F67-F87 AromaticContact CE2-CD1 3.49Å; F67-F87 HydrophobicContact CE2-CD1 3.49Å; F67-F87 VanDerWaalsContact CE2-CD1 3.49Å; F67-F87 AromaticContact CE2-CE1 3.45Å; F67-F87 HydrophobicContact CE2-CE1 3.45Å; F67-F87 VanDerWaalsContact CE2-CE1 3.45Å; F67-F87 HydrophobicContact CE2-CG 4.11Å; F67-F87 HydrophobicContact CE2-CZ 4.04Å; F67-F87 HydrophobicContact CZ-CD1 4.14Å; F67-F87 AromaticContact CZ-CE1 3.62Å; F67-F87 HydrophobicContact CZ-CE1 3.62Å; F67-F87 AromaticContact CZ-CZ 3.83Å; F67-F87 HydrophobicContact CZ-CZ 3.83Å; F67-Q91 PolarHBondContact N-O 3.43Å; F67-I93 PolarHBondContact O-N 2.91Å
68	V	98.3	Very high	95.4	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.7	-176.7	-168.9	0	0	0	0	109.7	H8 V9 G10 V66 I93 L114 V118 F149	H8-V68 PolarHBondContact O-N 3.04Å; V9-V68 WeakPolarHBondContact CA-O 3.46Å; G10-V68 PolarHBondContact N-O 3.43Å; V66-V68 HydrophobicContact CG1-CG2 3.71Å; V68-I93 WeakPolarHBondContact CA-O 3.39Å; V68-I93 HydrophobicContact CG2-CB 4.44Å; V68-L114 HydrophobicContact CG1-CD2 3.74Å; V68-V118 HydrophobicContact CB-CG2 4.41Å; V68-V118 HydrophobicContact CG1-CG2 3.78Å; V68-V118 HydrophobicContact CG2-CB 4.47Å; V68-V118 HydrophobicContact CG2-CG1 3.88Å; V68-V118 HydrophobicContact CG2-CG2 3.69Å; V68-F149 HydrophobicContact CB-CE1 4.17Å; V68-F149 HydrophobicContact CG1-CD1 4.24Å; V68-F149 HydrophobicContact CG1-CE1 3.6Å; V68-F149 HydrophobicContact CG1-CZ 4.06Å
69	D	97.9	Very high	95.7	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154	158.9	-152.3	-27.8	0	0	0	109.9	G10 Q11 E71 V74 I75 I93 S94 G95 T145	G10-D69 WeakPolarHBondContact CA-OD2 3.43Å; Q11-D69 PolarHBondContact N-OD2 3.44Å; D69-E71 WeakPolarHBondContact CB-O 3.38Å; D69-E71 PolarHBondContact O-N 2.98Å; D69-V74 HydrophobicContact CB-CG1 3.8Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.25Å; D69-I75 HydrophobicContact CB-CD1 4.3Å; D69-I75 HydrophobicContact CB-CG1 3.93Å; D69-I93 PolarHBondContact N-O 3.37Å; D69-S94 CarbonylContact O-C 3.56Å; D69-S94 VanDerWaalsContact O-CA 3.27Å; D69-S94 WeakPolarHBondContact O-CA 3.4Å; D69-G95 PolarHBondContact O-N 2.9Å; D69-T145 PolarHBondContact OD1-OG1 3.11Å
70	L	97.2	Very high	96.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-76.1	-18.1	178.2	-58.8	-175.5	0	0	0	111.6	G95 K96 E97 A99 V110 L114 T145 F149	L70-G95 CarbonylContact O-C 2.92Å; L70-G95 WeakPolarHBondContact O-CA 3.32Å; L70-G95 PolarHBondContact O-N 3.28Å; L70-K96 PolarHBondContact O-N 3.02Å; L70-E97 CarbonylContact C-O 3.2Å; L70-E97 WeakPolarHBondContact CB-O 3.08Å; L70-E97 CarbonylContact O-C 3.42Å; L70-E97 PolarHBondContact O-N 3.09Å; L70-A99 HydrophobicContact CD1-CB 4.12Å; L70-V110 HydrophobicContact CB-CG1 4.07Å; L70-V110 HydrophobicContact CD1-CB 4.16Å; L70-V110 HydrophobicContact CD1-CG1 3.98Å; L70-V110 HydrophobicContact CD2-CG1 4.3Å; L70-V110 HydrophobicContact CG-CG1 4.33Å; L70-L114 HydrophobicContact CD2-CB 4.17Å; L70-L114 HydrophobicContact CD2-CD2 3.55Å; L70-T145 HydrophobicContact CD1-CG2 4.46Å; L70-T145 HydrophobicContact CG-CG2 3.88Å; L70-F149 HydrophobicContact CD1-CB 4.47Å; L70-F149 HydrophobicContact CD2-CD2 4.18Å; L70-F149 HydrophobicContact CD2-CG 4.35Å
71	E	94.7	Very high	96.2	Very high	51 Å²	51	33.6 Å²	33.6	24%	0.238	18%	0.175	C	C	.	.	S	Bend	trans	-118.8	156.2	171.4	63.2	147.1	165.5	0	0	112.7	D69 S73 D98	D69-E71 WeakPolarHBondContact CB-O 3.38Å; D69-E71 PolarHBondContact O-N 2.98Å; E71-S73 PolarHBondContact O-N 3.49Å; E71-S73 WeakPolarHBondContact OE2-CB 3.42Å; E71-S73 PolarHBondContact OE2-OG 3.4Å; E71-D98 HydrophobicContact CB-CB 3.89Å; E71-D98 HydrophobicContact CG-CB 4Å
72	P	95.3	Very high	96.2	Very high	47 Å²	47	37.3 Å²	37.3	31%	0.305	21%	0.206	S	C	.	.	S	Bend	trans	-75.6	-19	-173.1	29.5	-35.9	0	0	0	114.6	V74 I75 D76	P72-V74 PolarHBondContact O-N 2.87Å; P72-I75 PolarHBondContact O-N 3.1Å; P72-I75 VanDerWaalsContact O-N 3.14Å; P72-D76 WeakPolarHBondContact O-CB 3.2Å; P72-D76 PolarHBondContact O-N 3.37Å
73	S	95	Very high	96.2	Very high	60 Å²	60	37.4 Å²	37.4	42%	0.42	20%	0.204	S	C	.	.	H	α-helix	trans	-50.6	-50.6	-165.2	-63.2	0	0	0	0	115.2	E71	E71-S73 PolarHBondContact O-N 3.49Å; E71-S73 WeakPolarHBondContact OE2-CB 3.42Å; E71-S73 PolarHBondContact OE2-OG 3.4Å
74	V	95.4	Very high	96	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-80.3	-32.7	-177.4	73.4	0	0	0	0	112.2	Q11 T14 Q15 D69 P72 R77 L78	Q11-V74 HydrophobicContact CG-CG2 4.32Å; T14-V74 HydrophobicContact CG2-CB 4.36Å; T14-V74 HydrophobicContact CG2-CG1 3.97Å; T14-V74 HydrophobicContact CG2-CG2 3.64Å; Q15-V74 HydrophobicContact CG-CG2 3.97Å; D69-V74 HydrophobicContact CB-CG1 3.8Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.25Å; P72-V74 PolarHBondContact O-N 2.87Å; V74-R77 WeakPolarHBondContact O-CB 3.3Å; V74-R77 PolarHBondContact O-N 3.32Å; V74-L78 PolarHBondContact O-N 3.01Å
75	I	97.4	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.7	-38	179	-57	-62.5	0	0	0	110.5	T14 F67 D69 P72 R77 L78 R79 M92	T14-I75 HydrophobicContact CG2-CD1 4.13Å; F67-I75 HydrophobicContact CB-CD1 3.81Å; D69-I75 HydrophobicContact CB-CD1 4.3Å; D69-I75 HydrophobicContact CB-CG1 3.93Å; P72-I75 PolarHBondContact O-N 3.1Å; P72-I75 VanDerWaalsContact O-N 3.14Å; I75-R77 PolarHBondContact O-N 2.74Å; I75-L78 WeakPolarHBondContact O-CB 3.4Å; I75-L78 PolarHBondContact O-N 3.34Å; I75-R79 WeakPolarHBondContact O-CG 3.4Å; I75-R79 PolarHBondContact O-N 3.28Å; I75-M92 HydrophobicContact CG2-CB 3.79Å
76	D	96.7	Very high	95.9	Very high	67 Å²	67	47.2 Å²	47.2	36%	0.358	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-30	175.3	-78.3	-12.2	0	0	0	112.5	P72 L78 R79 T80	P72-D76 WeakPolarHBondContact O-CB 3.2Å; P72-D76 PolarHBondContact O-N 3.37Å; D76-L78 VanDerWaalsContact C-N 3.35Å; D76-R79 PolarHBondContact O-N 2.87Å; D76-R79 IonicContact OD1-CZ 3.84Å; D76-R79 IonicContact OD1-NH1 2.87Å; D76-R79 PolarHBondContact OD1-NH1 2.93Å; D76-T80 WeakPolarHBondContact O-CB 3.06Å; D76-T80 WeakPolarHBondContact O-CG2 3.44Å; D76-T80 PolarHBondContact O-N 2.8Å; D76-T80 PolarHBondContact O-OG1 2.84Å
77	R	95.6	Very high	95.8	Very high	167 Å²	167	47.5 Å²	47.5	63%	0.63	25%	0.25	S	C	*	.	H	α-helix	trans	-64.3	-39.5	170.9	-67.5	179	-173.8	-179.3	4	111.7	V74 I75 T80 G81	V74-R77 WeakPolarHBondContact O-CB 3.3Å; V74-R77 PolarHBondContact O-N 3.32Å; I75-R77 PolarHBondContact O-N 2.74Å; R77-T80 PolarHBondContact O-N 3.28Å; R77-T80 PolarHBondContact O-OG1 3.39Å; R77-G81 WeakPolarHBondContact O-CA 3.34Å; R77-G81 PolarHBondContact O-N 3.44Å
78	L	95	Very high	95.6	Very high	8 Å²	8	50 Å²	50	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-42.7	172.8	-68.8	-179.8	0	0	0	111.7	T14 D18 F67 V74 I75 D76 T80 G81 K84 F87 M92	T14-L78 HydrophobicContact CG2-CD1 3.45Å; T14-L78 VanDerWaalsContact CG2-CD1 3.45Å; T14-L78 HydrophobicContact CG2-CG 3.96Å; D18-L78 HydrophobicContact CB-CD2 3.85Å; D18-L78 WeakPolarHBondContact OD1-CD2 3.33Å; F67-L78 HydrophobicContact CB-CD1 4.14Å; F67-L78 HydrophobicContact CD1-CD1 3.39Å; F67-L78 HydrophobicContact CD2-CD1 4.2Å; F67-L78 HydrophobicContact CE1-CD1 3.67Å; F67-L78 HydrophobicContact CE2-CD1 4.46Å; F67-L78 HydrophobicContact CG-CD1 3.65Å; F67-L78 HydrophobicContact CZ-CD1 4.19Å; V74-L78 PolarHBondContact O-N 3.01Å; I75-L78 WeakPolarHBondContact O-CB 3.4Å; I75-L78 PolarHBondContact O-N 3.34Å; D76-L78 VanDerWaalsContact C-N 3.35Å; L78-T80 PolarHBondContact O-N 2.9Å; L78-G81 PolarHBondContact O-N 3.33Å; L78-K84 WeakPolarHBondContact O-CA 3.32Å; L78-F87 HydrophobicContact CD2-CE2 4.3Å; L78-M92 HydrophobicContact CB-SD 4.01Å
79	R	95.6	Very high	95.5	Very high	87 Å²	87	54.4 Å²	54.4	33%	0.328	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-23.3	177.9	-66.8	174.1	-178.1	146.9	0.4	113.3	I75 D76 K84 M92 S94	I75-R79 WeakPolarHBondContact O-CG 3.4Å; I75-R79 PolarHBondContact O-N 3.28Å; D76-R79 PolarHBondContact O-N 2.87Å; D76-R79 IonicContact OD1-CZ 3.84Å; D76-R79 IonicContact OD1-NH1 2.87Å; D76-R79 PolarHBondContact OD1-NH1 2.93Å; R79-K84 WeakPolarHBondContact O-CB 3.4Å; R79-M92 HydrophobicContact CG-CE 3.97Å; R79-M92 HydrophobicContact CG-SD 3.87Å; R79-M92 PolarHBondContact NH2-O 3.48Å; R79-S94 PolarHBondContact NH1-OG 2.72Å; R79-S94 PolarHBondContact NH2-OG 3.36Å
80	T	95.6	Very high	95.4	Very high	108 Å²	108	58.5 Å²	58.5	66%	0.663	31%	0.309	S	S	*	.	H	α-helix	trans	-111.2	-12.3	-177.5	55.9	0	0	0	0	114	D76 R77 L78	D76-T80 WeakPolarHBondContact O-CB 3.06Å; D76-T80 WeakPolarHBondContact O-CG2 3.44Å; D76-T80 PolarHBondContact O-N 2.8Å; D76-T80 PolarHBondContact O-OG1 2.84Å; R77-T80 PolarHBondContact O-N 3.28Å; R77-T80 PolarHBondContact O-OG1 3.39Å; L78-T80 PolarHBondContact O-N 2.9Å
81	G	93.4	Very high	95.4	Very high	30 Å²	30	59.1 Å²	59.1	31%	0.309	31%	0.312	S	S	.	.	S	Bend	trans	-74	-178.5	-176.7	0	0	0	0	0	114.7	R77 L78 Y83 K84	R77-G81 WeakPolarHBondContact O-CA 3.34Å; R77-G81 PolarHBondContact O-N 3.44Å; L78-G81 PolarHBondContact O-N 3.33Å; G81-Y83 PolarHBondContact O-N 3.02Å; G81-K84 VanDerWaalsContact O-CB 3.31Å; G81-K84 WeakPolarHBondContact O-CB 3.12Å; G81-K84 WeakPolarHBondContact O-CG 3.26Å; G81-K84 PolarHBondContact O-N 3.2Å; G81-K84 VanDerWaalsContact O-N 3.16Å
82	S	93	Very high	95.6	Very high	108 Å²	108	57.2 Å²	57.2	76%	0.755	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.8	-176.8	-56	0	0	0	0	113	P32	P32-S82 WeakPolarHBondContact CB-O 3.47Å
83	Y	94.9	Very high	95.7	Very high	23 Å²	23	55.2 Å²	55.2	9%	0.09	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	16.8	-178.9	-69	-88.3	0	0	0	113.7	E22 C25 P32 G81 Q85 L86	E22-Y83 HydrophobicContact CB-CE2 3.79Å; E22-Y83 HydrophobicContact CG-CE2 4Å; E22-Y83 WeakPolarHBondContact CG-OH 3.47Å; C25-Y83 HydrophobicContact CB-CE1 4.04Å; P32-Y83 HydrophobicContact CB-CD1 3.66Å; P32-Y83 HydrophobicContact CB-CE1 3.77Å; P32-Y83 HydrophobicContact CB-CG 4.21Å; P32-Y83 HydrophobicContact CG-CD1 4.18Å; P32-Y83 HydrophobicContact CG-CE1 3.75Å; G81-Y83 PolarHBondContact O-N 3.02Å; Y83-Q85 PolarHBondContact O-N 2.99Å; Y83-L86 HydrophobicContact CD1-CB 4.37Å; Y83-L86 HydrophobicContact CD1-CD2 3.82Å; Y83-L86 HydrophobicContact CG-CD2 4.49Å; Y83-L86 VanDerWaalsContact O-CB 3.22Å; Y83-L86 WeakPolarHBondContact O-CB 3.31Å; Y83-L86 PolarHBondContact O-N 2.89Å
84	K	94.1	Very high	95.7	Very high	110 Å²	110	54 Å²	54	48%	0.478	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.4	-177.7	67.1	-175.5	-179.1	-176.1	0	115.8	L78 R79 G81	L78-K84 WeakPolarHBondContact O-CA 3.32Å; R79-K84 WeakPolarHBondContact O-CB 3.4Å; G81-K84 VanDerWaalsContact O-CB 3.31Å; G81-K84 WeakPolarHBondContact O-CB 3.12Å; G81-K84 WeakPolarHBondContact O-CG 3.26Å; G81-K84 PolarHBondContact O-N 3.2Å; G81-K84 VanDerWaalsContact O-N 3.16Å
85	Q	95	Very high	95.7	Very high	109 Å²	109	54.3 Å²	54.3	51%	0.509	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.8	179	-69.9	-173.7	63.4	0	0	113.3	D33 Y83	D33-Q85 HydrophobicContact CB-CB 4.28Å; Y83-Q85 PolarHBondContact O-N 2.99Å
86	L	96.6	Very high	95.4	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-48.3	-179.3	-178	69.1	0	0	0	111	C25 I30 P32 F53 P63 Y83	C25-L86 VanDerWaalsContact SG-CD2 3.53Å; I30-L86 HydrophobicContact CG2-CD1 4.2Å; P32-L86 PolarHBondContact O-N 2.81Å; F53-L86 HydrophobicContact CE1-CD1 4.42Å; P63-L86 VanDerWaalsContact CD-O 3.28Å; P63-L86 WeakPolarHBondContact CD-O 3.18Å; P63-L86 HydrophobicContact CG-CD1 4.21Å; P63-L86 HydrophobicContact CG-CD2 3.82Å; P63-L86 HydrophobicContact CG-CG 3.68Å; Y83-L86 HydrophobicContact CD1-CB 4.37Å; Y83-L86 HydrophobicContact CD1-CD2 3.82Å; Y83-L86 HydrophobicContact CG-CD2 4.49Å; Y83-L86 VanDerWaalsContact O-CB 3.22Å; Y83-L86 WeakPolarHBondContact O-CB 3.31Å; Y83-L86 PolarHBondContact O-N 2.89Å
87	F	96.2	Very high	95.1	Very high	8 Å²	8	66 Å²	66	4%	0.035	34%	0.335	C	S	.	.	S	Bend	trans	-82.9	141.5	-174	-55.8	-68.1	0	0	0	111.6	W21 P63 F67 L78 M92	W21-F87 HydrophobicContact CB-CE1 4.01Å; W21-F87 HydrophobicContact CB-CZ 3.77Å; W21-F87 AromaticContact CD1-CE1 3.71Å; W21-F87 AromaticContact CD1-CZ 3.95Å; W21-F87 HydrophobicContact CD2-CE1 4.24Å; W21-F87 AromaticContact CG-CE1 3.72Å; W21-F87 HydrophobicContact CG-CE1 3.72Å; W21-F87 AromaticContact CG-CZ 3.93Å; W21-F87 HydrophobicContact CG-CZ 3.93Å; P63-F87 HydrophobicContact CB-CD1 4.05Å; P63-F87 HydrophobicContact CB-CE1 4.12Å; P63-F87 HydrophobicContact CG-CD1 3.75Å; P63-F87 HydrophobicContact CG-CE1 3.76Å; F67-F87 HydrophobicContact CD2-CD1 4.38Å; F67-F87 AromaticContact CE2-CD1 3.49Å; F67-F87 HydrophobicContact CE2-CD1 3.49Å; F67-F87 VanDerWaalsContact CE2-CD1 3.49Å; F67-F87 AromaticContact CE2-CE1 3.45Å; F67-F87 HydrophobicContact CE2-CE1 3.45Å; F67-F87 VanDerWaalsContact CE2-CE1 3.45Å; F67-F87 HydrophobicContact CE2-CG 4.11Å; F67-F87 HydrophobicContact CE2-CZ 4.04Å; F67-F87 HydrophobicContact CZ-CD1 4.14Å; F67-F87 AromaticContact CZ-CE1 3.62Å; F67-F87 HydrophobicContact CZ-CE1 3.62Å; F67-F87 AromaticContact CZ-CZ 3.83Å; F67-F87 HydrophobicContact CZ-CZ 3.83Å; L78-F87 HydrophobicContact CD2-CE2 4.3Å; F87-M92 HydrophobicContact CB-CE 4.22Å; F87-M92 HydrophobicContact CB-CG 4.33Å; F87-M92 HydrophobicContact CB-SD 4.06Å
88	H	95.5	Very high	94.9	Very high	53 Å²	53	61.8 Å²	61.8	25%	0.245	33%	0.325	C	S	.	.			trans	-69.5	132.2	174.3	-164.5	-82.8	0	0	0	109.9	V62 E90 Q91	V62-H88 HydrophobicContact CG1-CB 4.01Å; H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 IonicContact CE1-OE2 3.79Å; H88-E90 PolarHBondContact CE1-OE2 2.92Å; H88-E90 WeakPolarHBondContact ND1-CB 3.41Å; H88-E90 PolarHBondContact ND1-N 2.85Å; H88-E90 PolarHBondContact O-N 2.8Å; H88-Q91 HydrophobicContact CB-CB 4.24Å; H88-Q91 HydrophobicContact CB-CG 4.12Å; H88-Q91 WeakPolarHBondContact O-CB 3.38Å; H88-Q91 PolarHBondContact O-N 3.39Å
89	P	95.8	Very high	94.7	Very high	95 Å²	95	61.6 Å²	61.6	62%	0.617	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-55.1	-41.5	-178.4	-29.3	36.2	0	0	0	114.1	Q91 M92	P89-Q91 PolarHBondContact O-N 3.2Å; P89-M92 PolarHBondContact O-N 3.04Å; P89-M92 VanDerWaalsContact O-N 3.12Å
90	E	96.2	Very high	94.5	Very high	90 Å²	90	60.6 Å²	60.6	42%	0.421	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-70.9	-7.4	179.2	-56.4	-169.1	123	0	0	115	H88 R121	H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 IonicContact CE1-OE2 3.79Å; H88-E90 PolarHBondContact CE1-OE2 2.92Å; H88-E90 WeakPolarHBondContact ND1-CB 3.41Å; H88-E90 PolarHBondContact ND1-N 2.85Å; H88-E90 PolarHBondContact O-N 2.8Å; E90-R121 VanDerWaalsContact CD-CZ 3.46Å; E90-R121 IonicContact OE1-CZ 3.59Å; E90-R121 IonicContact OE1-NH1 3.55Å; E90-R121 PolarHBondContact OE1-NH1 2.86Å; E90-R121 VanDerWaalsContact OE1-NH1 3.17Å; E90-R121 IonicContact OE1-NH2 3.72Å; E90-R121 PolarHBondContact OE1-NH2 3.03Å; E90-R121 IonicContact OE2-CZ 3.61Å; E90-R121 IonicContact OE2-NH1 2.82Å; E90-R121 PolarHBondContact OE2-NH1 3.04Å; E90-R121 IonicContact OE2-NH2 3.86Å
91	Q	96.9	Very high	94.4	Very high	13 Å²	13	58.9 Å²	58.9	6%	0.061	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-97.8	-2.9	174.6	-73.9	144.5	30	0	0	111.9	A65 V66 F67 H88 P89 L125	A65-Q91 VanDerWaalsContact O-CB 3.25Å; A65-Q91 WeakPolarHBondContact O-CB 3.23Å; A65-Q91 WeakPolarHBondContact O-CG 3.43Å; V66-Q91 WeakPolarHBondContact CA-O 3.44Å; F67-Q91 PolarHBondContact N-O 3.43Å; H88-Q91 HydrophobicContact CB-CB 4.24Å; H88-Q91 HydrophobicContact CB-CG 4.12Å; H88-Q91 WeakPolarHBondContact O-CB 3.38Å; H88-Q91 PolarHBondContact O-N 3.39Å; P89-Q91 PolarHBondContact O-N 3.2Å; Q91-L125 HydrophobicContact CG-CD1 4.13Å
92	M	97.7	Very high	94.5	Very high	10 Å²	10	58 Å²	58	5%	0.049	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	85.7	173.5	-69.9	-175.9	-72.7	0	0	108.5	I75 L78 R79 F87 P89	I75-M92 HydrophobicContact CG2-CB 3.79Å; L78-M92 HydrophobicContact CB-SD 4.01Å; R79-M92 HydrophobicContact CG-CE 3.97Å; R79-M92 HydrophobicContact CG-SD 3.87Å; R79-M92 PolarHBondContact NH2-O 3.48Å; F87-M92 HydrophobicContact CB-CE 4.22Å; F87-M92 HydrophobicContact CB-CG 4.33Å; F87-M92 HydrophobicContact CB-SD 4.06Å; P89-M92 PolarHBondContact O-N 3.04Å; P89-M92 VanDerWaalsContact O-N 3.12Å
93	I	97.8	Very high	94.7	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.3	-174.2	-57.1	167.4	0	0	0	108.6	V66 F67 V68 D69 L114 V118 R121	V66-I93 HydrophobicContact CG1-CD1 3.95Å; F67-I93 PolarHBondContact O-N 2.91Å; V68-I93 WeakPolarHBondContact CA-O 3.39Å; V68-I93 HydrophobicContact CG2-CB 4.44Å; D69-I93 PolarHBondContact N-O 3.37Å; I93-L114 HydrophobicContact CG2-CD1 3.78Å; I93-L114 HydrophobicContact CG2-CD2 4.11Å; I93-L114 HydrophobicContact CG2-CG 4.06Å; I93-V118 HydrophobicContact CD1-CB 4.28Å; I93-V118 HydrophobicContact CD1-CG2 3.71Å; I93-V118 HydrophobicContact CG2-CG2 4.18Å; I93-R121 HydrophobicContact CD1-CB 4.17Å; I93-R121 HydrophobicContact CD1-CG 3.76Å
94	S	96.3	Very high	94.9	Very high	34 Å²	34	51.8 Å²	51.8	24%	0.238	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.9	177.3	55.2	0	0	0	0	109.7	D69 R79	D69-S94 CarbonylContact O-C 3.56Å; D69-S94 VanDerWaalsContact O-CA 3.27Å; D69-S94 WeakPolarHBondContact O-CA 3.4Å; R79-S94 PolarHBondContact NH1-OG 2.72Å; R79-S94 PolarHBondContact NH2-OG 3.36Å
95	G	93.8	Very high	95.1	Very high	15 Å²	15	48.8 Å²	48.8	16%	0.155	26%	0.256	C	S	.	.			trans	-72	-170.6	168.8	0	0	0	0	0	112.5	D69 L70	D69-G95 PolarHBondContact O-N 2.9Å; L70-G95 CarbonylContact O-C 2.92Å; L70-G95 WeakPolarHBondContact O-CA 3.32Å; L70-G95 PolarHBondContact O-N 3.28Å
96	K	91.9	Very high	95.2	Very high	206 Å²	206	43.6 Å²	43.6	90%	0.896	23%	0.232	S	C	*	.	S	Bend	trans	-108.9	-14.1	-179	-62.7	177.8	-174.3	168.7	0	113.5	L70	L70-K96 PolarHBondContact O-N 3.02Å
97	E	89.9	Confident	95.3	Very high	105 Å²	105	44.1 Å²	44.1	49%	0.491	23%	0.234	S	C	.	.	S	Bend	trans	-133.5	131.6	-171.2	-68.8	-172.6	-136	0	0	109.5	L70 R105 V110	L70-E97 CarbonylContact C-O 3.2Å; L70-E97 WeakPolarHBondContact CB-O 3.08Å; L70-E97 CarbonylContact O-C 3.42Å; L70-E97 PolarHBondContact O-N 3.09Å; E97-R105 IonicContact OE2-CZ 3.57Å; E97-R105 IonicContact OE2-NH2 3.8Å; E97-R105 PolarHBondContact OE2-NH2 3.5Å; E97-V110 HydrophobicContact CB-CG1 4.21Å; E97-V110 HydrophobicContact CB-CG2 4.33Å
98	D	90.8	Very high	95.3	Very high	79 Å²	79	47 Å²	47	42%	0.422	25%	0.245	S	C	.	.			trans	-69.8	161.5	176.7	68.6	58.6	0	0	0	112	E71 A100 R105	E71-D98 HydrophobicContact CB-CB 3.89Å; E71-D98 HydrophobicContact CG-CB 4Å; D98-A100 VanDerWaalsContact C-N 3.26Å; D98-A100 WeakPolarHBondContact OD1-CA 3.47Å; D98-A100 WeakPolarHBondContact OD1-CB 3.19Å; D98-A100 PolarHBondContact OD1-N 2.76Å; D98-R105 PolarHBondContact O-NE 3.48Å; D98-R105 PolarHBondContact O-NH2 2.87Å
99	A	90.9	Very high	95.4	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	25%	0.246	C	C	.	.			trans	-79.7	-5.4	173.7	0	0	0	0	0	113.2	L70 N101 N102	L70-A99 HydrophobicContact CD1-CB 4.12Å; A99-N101 PolarHBondContact O-N 3.38Å; A99-N101 VanDerWaalsContact O-N 3.1Å; A99-N102 WeakPolarHBondContact O-CA 3.5Å; A99-N102 VanDerWaalsContact O-CB 3.32Å; A99-N102 WeakPolarHBondContact O-CB 3.49Å; A99-N102 PolarHBondContact O-N 3.08Å
100	A	91.4	Very high	95.4	Very high	65 Å²	65	42.8 Å²	42.8	54%	0.537	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	34.7	-174.4	0	0	0	0	0	114.8	D98 N102	D98-A100 VanDerWaalsContact C-N 3.26Å; D98-A100 WeakPolarHBondContact OD1-CA 3.47Å; D98-A100 WeakPolarHBondContact OD1-CB 3.19Å; D98-A100 PolarHBondContact OD1-N 2.76Å; A100-N102 PolarHBondContact O-N 2.71Å
101	N	93.6	Very high	95.4	Very high	73 Å²	73	38.5 Å²	38.5	39%	0.39	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	23.1	-170.7	-62.6	-55.2	0	0	0	114.8	A99 A180 V182 N186	A99-N101 PolarHBondContact O-N 3.38Å; A99-N101 VanDerWaalsContact O-N 3.1Å; N101-A180 HydrophobicContact CB-CB 3.7Å; N101-V182 HydrophobicContact CB-CG2 4.37Å; N101-V182 WeakPolarHBondContact O-CG2 3.43Å; N101-N186 PolarHBondContact O-ND2 3.11Å
102	N	96.3	Very high	95.4	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.059	23%	0.226	C	C	.	.			trans	-105.7	116.5	-180	-175.2	-17.3	0	0	0	110.3	A99 A100 A104 R105 G106 W407 Y408	A99-N102 WeakPolarHBondContact O-CA 3.5Å; A99-N102 VanDerWaalsContact O-CB 3.32Å; A99-N102 WeakPolarHBondContact O-CB 3.49Å; A99-N102 PolarHBondContact O-N 3.08Å; A100-N102 PolarHBondContact O-N 2.71Å; N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 2.77Å; N102-A104 WeakPolarHBondContact OD1-CB 3.46Å; N102-A104 PolarHBondContact OD1-N 3.06Å; N102-R105 HydrophobicContact CB-CB 4.05Å; N102-R105 PolarHBondContact O-N 3.27Å; N102-G106 PolarHBondContact O-N 2.8Å; N102-W407 PolarHBondContact ND2-O 3.23Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.27Å
103	Y	98.2	Very high	95.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-51.8	-47.6	173.9	174	-82.9	0	0	0	112	R105 G106 H107 Y108 G148 S151 N186 L189 T193 M413	Y103-R105 VanDerWaalsContact C-N 3.26Å; Y103-R105 PolarHBondContact O-N 3.25Å; Y103-G106 CarbonylContact O-C 3.57Å; Y103-G106 WeakPolarHBondContact O-CA 3.24Å; Y103-G106 PolarHBondContact O-N 3.36Å; Y103-H107 HydrophobicContact CD1-CB 4.23Å; Y103-H107 HydrophobicContact CE1-CB 3.83Å; Y103-H107 AromaticContact CE1-CG 3.97Å; Y103-H107 AromaticContact CZ-CD2 3.91Å; Y103-H107 WeakPolarHBondContact O-CB 3.45Å; Y103-H107 PolarHBondContact O-N 3.38Å; Y103-H107 PolarHBondContact OH-CD2 2.64Å; Y103-Y108 HydrophobicContact CE1-CE2 4.34Å; Y103-G148 VanDerWaalsContact CD2-CA 3.41Å; Y103-G148 WeakPolarHBondContact O-CA 2.82Å; Y103-S151 VanDerWaalsContact OH-CB 3.22Å; Y103-S151 WeakPolarHBondContact OH-CB 3.32Å; Y103-S151 PolarHBondContact OH-OG 3.19Å; Y103-N186 VanDerWaalsContact CB-OD1 3.22Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.42Å; Y103-N186 PolarHBondContact N-OD1 3.14Å; Y103-L189 HydrophobicContact CD1-CB 3.96Å; Y103-L189 HydrophobicContact CD1-CD1 3.77Å; Y103-L189 HydrophobicContact CD1-CG 4.42Å; Y103-L189 HydrophobicContact CD2-CB 3.82Å; Y103-L189 HydrophobicContact CE1-CB 3.97Å; Y103-L189 HydrophobicContact CE1-CD1 4.39Å; Y103-L189 HydrophobicContact CE2-CB 3.84Å; Y103-L189 HydrophobicContact CG-CB 3.93Å; Y103-L189 HydrophobicContact CG-CD1 3.96Å; Y103-T193 PolarHBondContact OH-OG1 3.27Å; Y103-M413 HydrophobicContact CD1-SD 4.37Å
104	A	98.1	Very high	95.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-35.6	-173.8	0	0	0	0	0	111.6	N102 G106 H107 Y108 Y408 E411 M413	N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 2.77Å; N102-A104 WeakPolarHBondContact OD1-CB 3.46Å; N102-A104 PolarHBondContact OD1-N 3.06Å; A104-G106 VanDerWaalsContact C-N 3.35Å; A104-H107 PolarHBondContact O-N 3.3Å; A104-Y108 HydrophobicContact CB-CD2 4.01Å; A104-Y108 WeakPolarHBondContact O-CB 3.5Å; A104-Y108 PolarHBondContact O-N 3.42Å; A104-Y408 HydrophobicContact CB-CD1 3.98Å; A104-Y408 HydrophobicContact CB-CG 4.29Å; A104-Y408 WeakPolarHBondContact CB-O 3.32Å; A104-E411 HydrophobicContact CB-CB 3.81Å; A104-M413 HydrophobicContact CB-CB 3.87Å; A104-M413 HydrophobicContact CB-SD 4.07Å
105	R	97.3	Very high	95.3	Very high	48 Å²	48	50.5 Å²	50.5	18%	0.181	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-38.8	174.4	-168.7	170.2	170.2	96.8	4	112.2	E97 D98 N102 Y103 H107 T109 V110 G111 E411	E97-R105 IonicContact OE2-CZ 3.57Å; E97-R105 IonicContact OE2-NH2 3.8Å; E97-R105 PolarHBondContact OE2-NH2 3.5Å; D98-R105 PolarHBondContact O-NE 3.48Å; D98-R105 PolarHBondContact O-NH2 2.87Å; N102-R105 HydrophobicContact CB-CB 4.05Å; N102-R105 PolarHBondContact O-N 3.27Å; Y103-R105 VanDerWaalsContact C-N 3.26Å; Y103-R105 PolarHBondContact O-N 3.25Å; R105-H107 VanDerWaalsContact C-N 3.31Å; R105-T109 WeakPolarHBondContact CA-OG1 3.46Å; R105-T109 PolarHBondContact O-OG1 3.47Å; R105-V110 HydrophobicContact CG-CB 4.29Å; R105-V110 HydrophobicContact CG-CG2 3.69Å; R105-V110 PolarHBondContact O-N 3.3Å; R105-G111 PolarHBondContact O-N 3.34Å; R105-E411 HydrophobicContact CB-CG 4.04Å; R105-E411 IonicContact NH1-OE1 2.74Å; R105-E411 PolarHBondContact NH1-OE1 2.96Å
106	G	97.5	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.9	-25.5	173.6	0	0	0	0	0	114	N102 Y103 A104 G111 G148 F149	N102-G106 PolarHBondContact O-N 2.8Å; Y103-G106 CarbonylContact O-C 3.57Å; Y103-G106 WeakPolarHBondContact O-CA 3.24Å; Y103-G106 PolarHBondContact O-N 3.36Å; A104-G106 VanDerWaalsContact C-N 3.35Å; G106-G111 VanDerWaalsContact O-CA 3.29Å; G106-G111 WeakPolarHBondContact O-CA 3.33Å; G106-G148 CarbonylContact O-C 3.5Å; G106-F149 WeakPolarHBondContact O-CA 3.1Å; G106-F149 WeakPolarHBondContact O-CB 3.35Å; G106-F149 PolarHBondContact O-N 2.9Å
107	H	98.4	Very high	95.8	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-102.2	-48.7	-173.8	-167.4	-89.2	0	0	0	113.5	Y103 A104 R105 G148 L152 E155	Y103-H107 HydrophobicContact CD1-CB 4.23Å; Y103-H107 HydrophobicContact CE1-CB 3.83Å; Y103-H107 AromaticContact CE1-CG 3.97Å; Y103-H107 AromaticContact CZ-CD2 3.91Å; Y103-H107 WeakPolarHBondContact O-CB 3.45Å; Y103-H107 PolarHBondContact O-N 3.38Å; Y103-H107 PolarHBondContact OH-CD2 2.64Å; A104-H107 PolarHBondContact O-N 3.3Å; R105-H107 VanDerWaalsContact C-N 3.31Å; H107-G148 PolarHBondContact CD2-O 3.4Å; H107-G148 VanDerWaalsContact CD2-O 3.29Å; H107-L152 PolarHBondContact CD2-N 3.13Å; H107-L152 WeakPolarHBondContact O-CD2 3.43Å; H107-E155 IonicContact CE1-OE1 2.7Å; H107-E155 IonicContact NE2-OE1 2.69Å; H107-E155 PolarHBondContact NE2-OE1 3.3Å
108	Y	97.6	Very high	96.2	Very high	70 Å²	70	45.3 Å²	45.3	28%	0.275	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-27.9	-167.7	-65.1	-71.5	0	0	0	114.1	Y103 A104 E411 M413 E417	Y103-Y108 HydrophobicContact CE1-CE2 4.34Å; A104-Y108 HydrophobicContact CB-CD2 4.01Å; A104-Y108 WeakPolarHBondContact O-CB 3.5Å; A104-Y108 PolarHBondContact O-N 3.42Å; Y108-E411 WeakPolarHBondContact CB-O 3.4Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.16Å; Y108-M413 HydrophobicContact CE2-CB 3.69Å; Y108-M413 HydrophobicContact CE2-CG 3.5Å; Y108-M413 HydrophobicContact CE2-SD 4.1Å; Y108-E417 VanDerWaalsContact OH-CD 3.25Å; Y108-E417 PolarHBondContact OH-OE1 3.33Å; Y108-E417 PolarHBondContact OH-OE2 3.2Å
109	T	96.6	Very high	96.5	Very high	43 Å²	43	42.5 Å²	42.5	26%	0.264	22%	0.216	S	C	.	.	S	Bend	trans	-116.3	-94.6	-174.5	60.7	0	0	0	0	112.4	R105 G111 K112 E113 E411	R105-T109 WeakPolarHBondContact CA-OG1 3.46Å; R105-T109 PolarHBondContact O-OG1 3.47Å; T109-G111 VanDerWaalsContact C-N 3.29Å; T109-G111 PolarHBondContact O-N 3.05Å; T109-K112 VanDerWaalsContact O-CB 3.31Å; T109-K112 WeakPolarHBondContact O-CB 3.37Å; T109-K112 PolarHBondContact O-N 2.81Å; T109-E113 PolarHBondContact O-N 3.47Å; T109-E411 WeakPolarHBondContact CB-OE2 3.37Å; T109-E411 HydrophobicContact CG2-CB 4.15Å; T109-E411 WeakPolarHBondContact CG2-O 3.02Å; T109-E411 VanDerWaalsContact CG2-OE2 3.25Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.49Å; T109-E411 PolarHBondContact OG1-OE2 3.31Å
110	V	96.2	Very high	96.9	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-41.6	-171.6	-178.5	0	0	0	0	111.5	L70 E97 R105 K112 E113	L70-V110 HydrophobicContact CB-CG1 4.07Å; L70-V110 HydrophobicContact CD1-CB 4.16Å; L70-V110 HydrophobicContact CD1-CG1 3.98Å; L70-V110 HydrophobicContact CD2-CG1 4.3Å; L70-V110 HydrophobicContact CG-CG1 4.33Å; E97-V110 HydrophobicContact CB-CG1 4.21Å; E97-V110 HydrophobicContact CB-CG2 4.33Å; R105-V110 HydrophobicContact CG-CB 4.29Å; R105-V110 HydrophobicContact CG-CG2 3.69Å; R105-V110 PolarHBondContact O-N 3.3Å; V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 2.92Å; V110-E113 PolarHBondContact O-N 3.32Å
111	G	96.8	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-31.9	178.1	0	0	0	0	0	114.2	R105 G106 T109 E113 L114 V115 F149	R105-G111 PolarHBondContact O-N 3.34Å; G106-G111 VanDerWaalsContact O-CA 3.29Å; G106-G111 WeakPolarHBondContact O-CA 3.33Å; T109-G111 VanDerWaalsContact C-N 3.29Å; T109-G111 PolarHBondContact O-N 3.05Å; G111-E113 PolarHBondContact O-N 3.41Å; G111-L114 PolarHBondContact O-N 2.89Å; G111-L114 VanDerWaalsContact O-N 3.12Å; G111-V115 PolarHBondContact O-N 3.5Å; G111-F149 WeakPolarHBondContact O-CE2 3.44Å
112	K	96.2	Very high	97.4	Very high	132 Å²	132	39.9 Å²	39.9	57%	0.574	19%	0.189	S	C	*	.	H	α-helix	trans	-66	-28.9	176.5	-172.4	174.9	177.6	175.4	0	112.4	T109 V110 L114 L152	T109-K112 VanDerWaalsContact O-CB 3.31Å; T109-K112 WeakPolarHBondContact O-CB 3.37Å; T109-K112 PolarHBondContact O-N 2.81Å; V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 2.92Å; K112-L114 VanDerWaalsContact C-N 3.34Å; K112-L152 HydrophobicContact CB-CD2 4.43Å
113	E	95.6	Very high	97.5	Very high	162 Å²	162	44.5 Å²	44.5	76%	0.757	21%	0.206	S	C	*	.	H	α-helix	trans	-72.5	-28.1	174.2	-59.9	-174.8	172.2	0	0	112.6	T109 V110 G111	T109-E113 PolarHBondContact O-N 3.47Å; V110-E113 PolarHBondContact O-N 3.32Å; G111-E113 PolarHBondContact O-N 3.41Å
114	L	96.6	Very high	97.4	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-96.8	-24	-174.7	-161.6	66.9	0	0	0	113.7	V68 L70 I93 G111 K112 D116 E117 V118 F149	V68-L114 HydrophobicContact CG1-CD2 3.74Å; L70-L114 HydrophobicContact CD2-CB 4.17Å; L70-L114 HydrophobicContact CD2-CD2 3.55Å; I93-L114 HydrophobicContact CG2-CD1 3.78Å; I93-L114 HydrophobicContact CG2-CD2 4.11Å; I93-L114 HydrophobicContact CG2-CG 4.06Å; G111-L114 PolarHBondContact O-N 2.89Å; G111-L114 VanDerWaalsContact O-N 3.12Å; K112-L114 VanDerWaalsContact C-N 3.34Å; L114-D116 VanDerWaalsContact C-N 3.33Å; L114-D116 PolarHBondContact O-N 3.04Å; L114-E117 PolarHBondContact O-N 2.8Å; L114-V118 HydrophobicContact CG-CG2 4.29Å; L114-V118 PolarHBondContact O-N 3.14Å; L114-F149 HydrophobicContact CB-CE2 4.36Å
115	V	98	Very high	97.4	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-39.5	-169.9	71.6	0	0	0	0	113.4	G111 E117 V118 L119 F149 L152 R156	G111-V115 PolarHBondContact O-N 3.5Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.5Å; V115-V118 PolarHBondContact O-N 3.24Å; V115-L119 HydrophobicContact CG2-CD1 3.98Å; V115-L119 HydrophobicContact CG2-CG 4.25Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.42Å; V115-F149 HydrophobicContact CB-CE2 3.91Å; V115-F149 HydrophobicContact CB-CZ 4.46Å; V115-F149 HydrophobicContact CG2-CE2 4.29Å; V115-L152 HydrophobicContact CB-CD2 3.85Å; V115-L152 HydrophobicContact CB-CG 4.42Å; V115-L152 HydrophobicContact CG1-CD2 4.02Å; V115-L152 HydrophobicContact CG2-CD2 4.1Å; V115-L152 HydrophobicContact CG2-CG 4.13Å; V115-R156 HydrophobicContact CG2-CG 4.2Å
116	D	97.7	Very high	97.3	Very high	118 Å²	118	46.8 Å²	46.8	63%	0.631	22%	0.22	S	C	*	.	H	α-helix	trans	-66	-36.8	-178.4	-71.5	-21	0	0	0	111.9	L114 D120	L114-D116 VanDerWaalsContact C-N 3.33Å; L114-D116 PolarHBondContact O-N 3.04Å; D116-D120 PolarHBondContact O-N 2.85Å
117	E	97.5	Very high	97.2	Very high	100 Å²	100	52.7 Å²	52.7	47%	0.467	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-44.7	174.3	-177.7	177.9	168.2	0	0	110.6	L114 V115 D120 R121	L114-E117 PolarHBondContact O-N 2.8Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.5Å; E117-D120 PolarHBondContact O-N 2.79Å; E117-R121 WeakPolarHBondContact O-CG 3.29Å; E117-R121 PolarHBondContact O-N 2.64Å; E117-R121 VanDerWaalsContact O-N 3.1Å
118	V	98.4	Very high	97	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-46.2	178.6	174.5	0	0	0	0	110.8	V66 V68 I93 L114 V115 D120 R121 I122 F149 L153	V66-V118 HydrophobicContact CG1-CG1 4.49Å; V68-V118 HydrophobicContact CB-CG2 4.41Å; V68-V118 HydrophobicContact CG1-CG2 3.78Å; V68-V118 HydrophobicContact CG2-CB 4.47Å; V68-V118 HydrophobicContact CG2-CG1 3.88Å; V68-V118 HydrophobicContact CG2-CG2 3.69Å; I93-V118 HydrophobicContact CD1-CB 4.28Å; I93-V118 HydrophobicContact CD1-CG2 3.71Å; I93-V118 HydrophobicContact CG2-CG2 4.18Å; L114-V118 HydrophobicContact CG-CG2 4.29Å; L114-V118 PolarHBondContact O-N 3.14Å; V115-V118 PolarHBondContact O-N 3.24Å; V118-D120 PolarHBondContact O-N 3.45Å; V118-R121 PolarHBondContact O-N 3.22Å; V118-I122 HydrophobicContact CG1-CD1 3.8Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 VanDerWaalsContact O-CG1 3.31Å; V118-I122 WeakPolarHBondContact O-CG1 3.46Å; V118-I122 PolarHBondContact O-N 3.13Å; V118-F149 HydrophobicContact CB-CZ 4.19Å; V118-F149 HydrophobicContact CG1-CZ 4.38Å; V118-F149 HydrophobicContact CG2-CE1 4.36Å; V118-F149 HydrophobicContact CG2-CZ 3.8Å; V118-L153 HydrophobicContact CG1-CD1 4Å; V118-L153 HydrophobicContact CG1-CD2 4.33Å
119	L	98.3	Very high	96.8	Very high	19 Å²	19	56.4 Å²	56.4	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-40.6	177.4	-71.7	169.1	0	0	0	112.2	V115 R121 I122 R123 L153 R156 L157	V115-L119 HydrophobicContact CG2-CD1 3.98Å; V115-L119 HydrophobicContact CG2-CG 4.25Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.42Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.36Å; L119-I122 PolarHBondContact O-N 2.83Å; L119-R123 WeakPolarHBondContact O-CB 3.44Å; L119-R123 PolarHBondContact O-N 3.42Å; L119-L153 HydrophobicContact CD2-CD1 4Å; L119-L153 HydrophobicContact CG-CD1 4.45Å; L119-R156 HydrophobicContact CD1-CB 3.66Å; L119-R156 HydrophobicContact CD1-CG 3.98Å; L119-R156 HydrophobicContact CD2-CB 3.9Å; L119-R156 HydrophobicContact CG-CB 4.35Å; L119-L157 HydrophobicContact CD2-CD2 4.34Å
120	D	98.1	Very high	96.6	Very high	49 Å²	49	58.9 Å²	58.9	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-39.8	174.9	178.9	66.1	0	0	0	111.8	D116 E117 V118 R123 K124	D116-D120 PolarHBondContact O-N 2.85Å; E117-D120 PolarHBondContact O-N 2.79Å; V118-D120 PolarHBondContact O-N 3.45Å; D120-R123 PolarHBondContact O-N 3.36Å; D120-R123 IonicContact OD1-CZ 3.92Å; D120-R123 IonicContact OD1-NE 3.05Å; D120-R123 IonicContact OD1-NH2 3.55Å; D120-R123 PolarHBondContact OD1-NH2 3.09Å; D120-K124 WeakPolarHBondContact O-CG 3.26Å; D120-K124 PolarHBondContact O-N 2.9Å; D120-K124 IonicContact OD1-NZ 2.65Å; D120-K124 WeakPolarHBondContact OD2-CE 3.46Å; D120-K124 IonicContact OD2-NZ 3.86Å; D120-K124 PolarHBondContact OD2-NZ 2.91Å
121	R	97.8	Very high	96.3	Very high	40 Å²	40	59.5 Å²	59.5	15%	0.151	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-41.8	175.1	-63.4	-44.9	-176.6	166.3	0.6	112.5	E90 I93 E117 V118 L119 K124 L125	E90-R121 VanDerWaalsContact CD-CZ 3.46Å; E90-R121 IonicContact OE1-CZ 3.59Å; E90-R121 IonicContact OE1-NH1 3.55Å; E90-R121 PolarHBondContact OE1-NH1 2.86Å; E90-R121 VanDerWaalsContact OE1-NH1 3.17Å; E90-R121 IonicContact OE1-NH2 3.72Å; E90-R121 PolarHBondContact OE1-NH2 3.03Å; E90-R121 IonicContact OE2-CZ 3.61Å; E90-R121 IonicContact OE2-NH1 2.82Å; E90-R121 PolarHBondContact OE2-NH1 3.04Å; E90-R121 IonicContact OE2-NH2 3.86Å; I93-R121 HydrophobicContact CD1-CB 4.17Å; I93-R121 HydrophobicContact CD1-CG 3.76Å; E117-R121 WeakPolarHBondContact O-CG 3.29Å; E117-R121 PolarHBondContact O-N 2.64Å; E117-R121 VanDerWaalsContact O-N 3.1Å; V118-R121 PolarHBondContact O-N 3.22Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.36Å; R121-K124 PolarHBondContact O-N 3.18Å; R121-L125 PolarHBondContact O-N 3.47Å
122	I	98.3	Very high	96.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175.4	-68.5	170.9	0	0	0	110.5	L7 V66 V118 L119 K124 L125 S126 F135 L153 L157 F161	L7-I122 HydrophobicContact CD1-CD1 3.9Å; L7-I122 HydrophobicContact CD2-CD1 3.64Å; L7-I122 HydrophobicContact CD2-CG1 3.76Å; L7-I122 HydrophobicContact CG-CD1 4.45Å; V66-I122 HydrophobicContact CG2-CG1 4.02Å; V118-I122 HydrophobicContact CG1-CD1 3.8Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 VanDerWaalsContact O-CG1 3.31Å; V118-I122 WeakPolarHBondContact O-CG1 3.46Å; V118-I122 PolarHBondContact O-N 3.13Å; L119-I122 PolarHBondContact O-N 2.83Å; I122-K124 PolarHBondContact O-N 2.81Å; I122-L125 PolarHBondContact O-N 2.75Å; I122-S126 WeakPolarHBondContact O-CB 3.27Å; I122-S126 PolarHBondContact O-N 2.84Å; I122-F135 HydrophobicContact CG2-CE1 3.57Å; I122-F135 HydrophobicContact CG2-CZ 3.99Å; I122-L153 HydrophobicContact CD1-CD1 3.99Å; I122-L157 HydrophobicContact CD1-CD2 4.11Å; I122-L157 HydrophobicContact CG2-CD2 4.07Å; I122-F161 HydrophobicContact CG2-CE2 3.99Å; I122-F161 HydrophobicContact CG2-CZ 4.2Å
123	R	97.8	Very high	96	Very high	107 Å²	107	55.2 Å²	55.2	40%	0.404	27%	0.27	S	S	.	.	H	α-helix	trans	-57.5	-50.9	175.9	-175.7	-175.6	63	87.5	-0.7	111.3	L119 D120 L125 S126 E127	L119-R123 WeakPolarHBondContact O-CB 3.44Å; L119-R123 PolarHBondContact O-N 3.42Å; D120-R123 PolarHBondContact O-N 3.36Å; D120-R123 IonicContact OD1-CZ 3.92Å; D120-R123 IonicContact OD1-NE 3.05Å; D120-R123 IonicContact OD1-NH2 3.55Å; D120-R123 PolarHBondContact OD1-NH2 3.09Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.27Å; R123-S126 WeakPolarHBondContact CA-OG 3.37Å; R123-S126 WeakPolarHBondContact O-CB 3.33Å; R123-S126 PolarHBondContact O-N 2.9Å; R123-S126 PolarHBondContact O-OG 2.87Å; R123-E127 IonicContact CZ-OE1 3.33Å; R123-E127 IonicContact NH1-OE1 3.47Å; R123-E127 PolarHBondContact NH1-OE1 3.21Å; R123-E127 IonicContact NH1-OE2 3.3Å; R123-E127 WeakPolarHBondContact O-CG 3.44Å; R123-E127 PolarHBondContact O-N 2.81Å
124	K	97.4	Very high	95.9	Very high	72 Å²	72	47.5 Å²	47.5	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-38.2	177.2	-74.9	168.6	175.9	164.7	0	113	D120 R121 I122 R128	D120-K124 WeakPolarHBondContact O-CG 3.26Å; D120-K124 PolarHBondContact O-N 2.9Å; D120-K124 IonicContact OD1-NZ 2.65Å; D120-K124 WeakPolarHBondContact OD2-CE 3.46Å; D120-K124 IonicContact OD2-NZ 3.86Å; D120-K124 PolarHBondContact OD2-NZ 2.91Å; R121-K124 PolarHBondContact O-N 3.18Å; I122-K124 PolarHBondContact O-N 2.81Å; K124-R128 WeakPolarHBondContact O-CG 3.27Å; K124-R128 PolarHBondContact O-N 3.45Å
125	L	96.4	Very high	95.9	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-39.9	174	-79.7	176.5	0	0	0	111.9	I5 V66 Q91 R121 I122 R123 R128 C129	I5-L125 HydrophobicContact CD1-CB 3.82Å; I5-L125 HydrophobicContact CG1-CB 4.45Å; I5-L125 HydrophobicContact CG2-CD1 4.33Å; V66-L125 HydrophobicContact CG2-CD1 3.51Å; Q91-L125 HydrophobicContact CG-CD1 4.13Å; R121-L125 PolarHBondContact O-N 3.47Å; I122-L125 PolarHBondContact O-N 2.75Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.27Å; L125-R128 PolarHBondContact O-N 3.03Å; L125-C129 PolarHBondContact O-N 2.72Å; L125-C129 PolarHBondContact O-SG 2.89Å
126	S	96.1	Very high	95.9	Very high	20 Å²	20	46.6 Å²	46.6	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-39.1	178.4	79.1	0	0	0	0	112.3	I122 R123 R128 C129	I122-S126 WeakPolarHBondContact O-CB 3.27Å; I122-S126 PolarHBondContact O-N 2.84Å; R123-S126 WeakPolarHBondContact CA-OG 3.37Å; R123-S126 WeakPolarHBondContact O-CB 3.33Å; R123-S126 PolarHBondContact O-N 2.9Å; R123-S126 PolarHBondContact O-OG 2.87Å; S126-R128 PolarHBondContact O-N 2.76Å; S126-C129 VanDerWaalsContact O-CB 3.29Å; S126-C129 WeakPolarHBondContact O-CB 3.26Å; S126-C129 PolarHBondContact O-N 2.96Å
127	E	95.7	Very high	96	Very high	124 Å²	124	41 Å²	41	58%	0.579	20%	0.199	S	C	*	.	H	α-helix	trans	-66.1	-24.6	177.1	-72.9	170.6	178.6	0	0	112.4	R123 C129	R123-E127 IonicContact CZ-OE1 3.33Å; R123-E127 IonicContact NH1-OE1 3.47Å; R123-E127 PolarHBondContact NH1-OE1 3.21Å; R123-E127 IonicContact NH1-OE2 3.3Å; R123-E127 WeakPolarHBondContact O-CG 3.44Å; R123-E127 PolarHBondContact O-N 2.81Å; E127-C129 VanDerWaalsContact C-N 3.29Å
128	R	93.1	Very high	96	Very high	141 Å²	141	36.3 Å²	36.3	53%	0.532	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.5	172.9	-66.3	175.3	-176.6	-176.6	2.2	113.2	R64 K124 L125 S126	R64-R128 PolarHBondContact NH1-O 3.38Å; K124-R128 WeakPolarHBondContact O-CG 3.27Å; K124-R128 PolarHBondContact O-N 3.45Å; L125-R128 PolarHBondContact O-N 3.03Å; S126-R128 PolarHBondContact O-N 2.76Å
129	C	94	Very high	96	Very high	17 Å²	17	36.3 Å²	36.3	12%	0.115	18%	0.177	C	C	.	.			trans	-92.9	136.1	174.3	-60.8	0	0	0	0	109.8	E3 R64 L125 S126 E127 G131 L132	E3-C129 HydrophobicContact CB-CB 3.98Å; E3-C129 HydrophobicContact CG-CB 4.45Å; E3-C129 VanDerWaalsContact OE1-CA 3.25Å; E3-C129 WeakPolarHBondContact OE1-CA 3.37Å; R64-C129 PolarHBondContact NH1-SG 2.91Å; R64-C129 VanDerWaalsContact NH1-SG 3.4Å; L125-C129 PolarHBondContact O-N 2.72Å; L125-C129 PolarHBondContact O-SG 2.89Å; S126-C129 VanDerWaalsContact O-CB 3.29Å; S126-C129 WeakPolarHBondContact O-CB 3.26Å; S126-C129 PolarHBondContact O-N 2.96Å; E127-C129 VanDerWaalsContact C-N 3.29Å; C129-G131 VanDerWaalsContact C-N 3.33Å; C129-L132 HydrophobicContact CB-CB 4.12Å
130	T	92	Very high	95.9	Very high	95 Å²	95	36.1 Å²	36.1	58%	0.583	18%	0.177	S	C	*	.	S	Bend	trans	-74.4	-27.1	172.3	66.1	0	0	0	0	112.7	M1 E3	M1-T130 HydrophobicContact CE-CG2 3.73Å; M1-T130 PolarHBondContact N-OG1 3.46Å; M1-T130 VanDerWaalsContact N-OG1 3.11Å; E3-T130 VanDerWaalsContact CD-N 3.26Å; E3-T130 PolarHBondContact OE1-N 2.91Å; E3-T130 WeakPolarHBondContact OE2-CA 3.47Å; E3-T130 PolarHBondContact OE2-N 3.17Å; E3-T130 PolarHBondContact OE2-OG1 2.72Å
131	G	90.6	Very high	95.8	Very high	29 Å²	29	33.8 Å²	33.8	30%	0.299	17%	0.165	S	C	.	.	S	Bend	trans	-163.6	82	-179.9	0	0	0	0	0	110.6	E3 C129 Q133	E3-G131 PolarHBondContact N-O 2.63Å; E3-G131 VanDerWaalsContact N-O 3.13Å; E3-G131 PolarHBondContact OE2-N 3.18Å; C129-G131 VanDerWaalsContact C-N 3.33Å; G131-Q133 PolarHBondContact O-N 3.1Å
132	L	93.8	Very high	95.6	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.073	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	121.8	173.5	179.8	66	0	0	0	109.9	E3 I5 C129 G134 F135 F161 K164	E3-L132 CarbonylContact O-C 3.05Å; E3-L132 WeakPolarHBondContact O-CA 3.19Å; I5-L132 HydrophobicContact CB-CD1 4.42Å; I5-L132 HydrophobicContact CD1-CD1 3.84Å; I5-L132 HydrophobicContact CD1-CD2 4.27Å; I5-L132 HydrophobicContact CG1-CD1 3.81Å; C129-L132 HydrophobicContact CB-CB 4.12Å; L132-G134 WeakPolarHBondContact CD1-O 3.18Å; L132-F135 HydrophobicContact CD2-CE1 4.26Å; L132-F135 HydrophobicContact CD2-CE2 4.3Å; L132-F135 HydrophobicContact CD2-CZ 3.78Å; L132-F161 HydrophobicContact CD2-CD1 4.27Å; L132-F161 HydrophobicContact CD2-CE1 4.33Å; L132-K164 HydrophobicContact CD2-CG 4.44Å; L132-K164 WeakPolarHBondContact O-CD 3.33Å; L132-K164 WeakPolarHBondContact O-CE 3.34Å; L132-K164 PolarHBondContact O-NZ 3.19Å
133	Q	92	Very high	95.3	Very high	28 Å²	28	32.6 Å²	32.6	13%	0.131	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-44.2	173.1	-70.3	-163.7	-34.9	0	0	111.8	R2 E3 G131 A165 D251 L252	R2-Q133 HydrophobicContact CB-CG 4.12Å; R2-Q133 VanDerWaalsContact CD-NE2 3.34Å; R2-Q133 VanDerWaalsContact CG-NE2 3.27Å; E3-Q133 PolarHBondContact O-N 3.36Å; G131-Q133 PolarHBondContact O-N 3.1Å; Q133-A165 PolarHBondContact O-N 3.43Å; Q133-D251 PolarHBondContact NE2-OD1 2.78Å; Q133-D251 PolarHBondContact OE1-OD1 2.94Å; Q133-L252 HydrophobicContact CB-CD1 4.4Å
134	G	94.6	Very high	95.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	-171	-172.4	0	0	0	0	0	114.6	I5 L132 A165	I5-G134 PolarHBondContact N-O 2.9Å; I5-G134 VanDerWaalsContact N-O 3.15Å; L132-G134 WeakPolarHBondContact CD1-O 3.18Å; G134-A165 CarbonylContact C-O 3.48Å; G134-A165 WeakPolarHBondContact CA-O 3.37Å
135	F	97.2	Very high	95.2	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136	-179	-57.8	-80.3	0	0	0	110.2	I5 L7 I122 L132 V137 L157 F161 K164 A165 K166 L167	I5-F135 HydrophobicContact CB-CD1 3.86Å; I5-F135 HydrophobicContact CB-CE1 4.03Å; I5-F135 HydrophobicContact CD1-CE1 4.04Å; I5-F135 HydrophobicContact CG2-CD1 4.17Å; I5-F135 HydrophobicContact CG2-CE1 4.33Å; I5-F135 CarbonylContact O-C 3.59Å; I5-F135 VanDerWaalsContact O-CA 3.27Å; I5-F135 WeakPolarHBondContact O-CA 3.39Å; L7-F135 HydrophobicContact CD1-CB 4.26Å; L7-F135 HydrophobicContact CD1-CD1 3.92Å; L7-F135 HydrophobicContact CD1-CG 4.29Å; L7-F135 HydrophobicContact CG-CD1 4.23Å; I122-F135 HydrophobicContact CG2-CE1 3.57Å; I122-F135 HydrophobicContact CG2-CZ 3.99Å; L132-F135 HydrophobicContact CD2-CE1 4.26Å; L132-F135 HydrophobicContact CD2-CE2 4.3Å; L132-F135 HydrophobicContact CD2-CZ 3.78Å; F135-V137 HydrophobicContact CB-CG2 4.25Å; F135-L157 HydrophobicContact CE1-CD2 4.3Å; F135-L157 HydrophobicContact CE2-CD2 4.2Å; F135-L157 HydrophobicContact CZ-CD2 4.03Å; F135-F161 HydrophobicContact CE2-CB 3.68Å; F135-F161 HydrophobicContact CE2-CD1 4.23Å; F135-F161 HydrophobicContact CE2-CD2 4.01Å; F135-F161 AromaticContact CE2-CG 3.72Å; F135-F161 HydrophobicContact CE2-CG 3.72Å; F135-F161 HydrophobicContact CZ-CB 4.22Å; F135-F161 AromaticContact CZ-CD1 3.98Å; F135-F161 HydrophobicContact CZ-CD1 3.98Å; F135-F161 AromaticContact CZ-CD2 3.78Å; F135-F161 HydrophobicContact CZ-CD2 3.78Å; F135-F161 HydrophobicContact CZ-CE1 4.27Å; F135-F161 HydrophobicContact CZ-CE2 4.09Å; F135-F161 AromaticContact CZ-CG 3.73Å; F135-F161 HydrophobicContact CZ-CG 3.73Å; F135-F161 HydrophobicContact CZ-CZ 4.32Å; F135-K164 HydrophobicContact CD2-CB 4.39Å; F135-K164 HydrophobicContact CE2-CB 4.07Å; F135-A165 PolarHBondContact N-O 3.33Å; F135-K166 HydrophobicContact CB-CG 4.45Å; F135-K166 HydrophobicContact CD2-CG 4.19Å; F135-L167 PolarHBondContact O-N 3Å
136	L	97.5	Very high	95.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.9	167.2	-55.3	-174.8	0	0	0	107.6	I5 S6 L7 F52 F138 L167 F169 T239 L252	I5-L136 PolarHBondContact O-N 3.04Å; S6-L136 CarbonylContact C-O 3.51Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.42Å; L7-L136 PolarHBondContact N-O 2.94Å; F52-L136 HydrophobicContact CE1-CD1 3.68Å; F52-L136 HydrophobicContact CZ-CD1 4.04Å; L136-F138 HydrophobicContact CB-CD2 4.48Å; L136-F138 HydrophobicContact CB-CE2 3.66Å; L136-F138 HydrophobicContact CB-CZ 4.31Å; L136-F138 WeakPolarHBondContact O-CD2 3.39Å; L136-L167 CarbonylContact C-O 3.55Å; L136-L167 WeakPolarHBondContact CA-O 3.43Å; L136-L167 HydrophobicContact CD2-CB 3.97Å; L136-L167 HydrophobicContact CD2-CD1 3.97Å; L136-L167 HydrophobicContact CD2-CG 4.42Å; L136-F169 HydrophobicContact CB-CD2 4.49Å; L136-F169 HydrophobicContact CB-CE2 4.16Å; L136-F169 HydrophobicContact CD1-CE2 4.3Å; L136-F169 HydrophobicContact CD2-CE2 4.23Å; L136-F169 HydrophobicContact CG-CE2 4.45Å; L136-T239 HydrophobicContact CD1-CG2 3.71Å; L136-L252 HydrophobicContact CD2-CD1 4.35Å
137	V	98.5	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120	-172.2	-174.1	0	0	0	0	109.5	L7 F135 T150 M154 L167 E168 F169	L7-V137 HydrophobicContact CB-CG2 4.44Å; L7-V137 HydrophobicContact CD1-CG2 4.24Å; L7-V137 CarbonylContact O-C 3.55Å; L7-V137 WeakPolarHBondContact O-CA 3.46Å; F135-V137 HydrophobicContact CB-CG2 4.25Å; V137-T150 HydrophobicContact CG1-CG2 3.87Å; V137-M154 HydrophobicContact CG2-SD 3.96Å; V137-L167 PolarHBondContact N-O 2.88Å; V137-E168 HydrophobicContact CB-CG 4.19Å; V137-E168 CarbonylContact O-C 3.42Å; V137-E168 VanDerWaalsContact O-CA 3.27Å; V137-E168 WeakPolarHBondContact O-CA 3.31Å; V137-F169 PolarHBondContact O-N 3.26Å
138	F	98.7	Very high	95.4	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.7	-177	-64.5	-102.3	0	0	0	108.6	L7 H8 V9 G13 M16 L136 F169 V235	L7-F138 PolarHBondContact O-N 3.32Å; H8-F138 AromaticContact CE1-CD1 3.99Å; H8-F138 AromaticContact CE1-CD2 3.17Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.21Å; H8-F138 AromaticContact CE1-CE2 3.46Å; H8-F138 VanDerWaalsContact CE1-CE2 3.46Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.39Å; H8-F138 AromaticContact CE1-CG 3.47Å; H8-F138 VanDerWaalsContact CE1-CG 3.47Å; H8-F138 WeakPolarHBondContact CE1-CG 3.36Å; H8-F138 AromaticContact CE1-CZ 3.98Å; H8-F138 WeakPolarHBondContact ND1-CB 3.31Å; H8-F138 AromaticContact ND1-CD2 3.42Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.49Å; H8-F138 AromaticContact ND1-CG 3.38Å; H8-F138 WeakPolarHBondContact ND1-CG 3.36Å; H8-F138 AromaticContact NE2-CD2 3.94Å; V9-F138 PolarHBondContact N-O 2.89Å; G13-F138 VanDerWaalsContact CA-O 3.22Å; G13-F138 WeakPolarHBondContact CA-O 3.5Å; M16-F138 HydrophobicContact CB-CD1 4.31Å; M16-F138 HydrophobicContact CE-CB 4.13Å; L136-F138 HydrophobicContact CB-CD2 4.48Å; L136-F138 HydrophobicContact CB-CE2 3.66Å; L136-F138 HydrophobicContact CB-CZ 4.31Å; L136-F138 WeakPolarHBondContact O-CD2 3.39Å; F138-F169 HydrophobicContact CD1-CB 3.56Å; F138-F169 HydrophobicContact CD1-CD2 4.04Å; F138-F169 AromaticContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD2-CD2 4.43Å; F138-F169 HydrophobicContact CE1-CB 3.79Å; F138-F169 HydrophobicContact CE1-CD1 4.38Å; F138-F169 AromaticContact CE1-CD2 3.54Å; F138-F169 HydrophobicContact CE1-CD2 3.54Å; F138-F169 HydrophobicContact CE1-CE2 4.19Å; F138-F169 AromaticContact CE1-CG 3.65Å; F138-F169 HydrophobicContact CE1-CG 3.65Å; F138-F169 AromaticContact CE2-CD2 3.98Å; F138-F169 HydrophobicContact CE2-CD2 3.98Å; F138-F169 HydrophobicContact CE2-CE2 4.41Å; F138-F169 HydrophobicContact CG-CB 4.18Å; F138-F169 HydrophobicContact CG-CD2 4.45Å; F138-F169 AromaticContact CZ-CD2 3.5Å; F138-F169 HydrophobicContact CZ-CD2 3.5Å; F138-F169 AromaticContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CG 4.11Å; F138-V235 HydrophobicContact CE1-CG1 3.95Å; F138-V235 HydrophobicContact CE1-CG2 3.7Å; F138-V235 HydrophobicContact CZ-CG1 3.79Å; F138-V235 HydrophobicContact CZ-CG2 4.34Å
139	H	98.3	Very high	95.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	-177.6	-174.7	75.6	129.5	0	0	0	112.1	V9 M16 F141 G146 T150 E168 F169 V171	V9-H139 HydrophobicContact CB-CB 4.4Å; M16-H139 WeakPolarHBondContact CE-O 3.28Å; H139-F141 AromaticContact CE1-CD2 3.61Å; H139-F141 AromaticContact CE1-CE2 3.39Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.36Å; H139-F141 AromaticContact NE2-CD2 3.92Å; H139-F141 AromaticContact NE2-CE2 3.46Å; H139-F141 WeakPolarHBondContact NE2-CE2 3.41Å; H139-G146 WeakPolarHBondContact CB-O 3.37Å; H139-G146 PolarHBondContact ND1-O 2.97Å; H139-T150 HydrophobicContact CB-CG2 4.26Å; H139-E168 IonicContact CE1-OE2 3.54Å; H139-E168 PolarHBondContact CE1-OE2 2.85Å; H139-E168 IonicContact NE2-OE2 3.77Å; H139-E168 PolarHBondContact NE2-OE2 3.4Å; H139-E168 VanDerWaalsContact NE2-OE2 3.17Å; H139-F169 PolarHBondContact N-O 3.28Å; H139-V171 PolarHBondContact O-N 3.3Å
140	S	96.9	Very high	95.9	Very high	15 Å²	15	10.3 Å²	10.3	11%	0.105	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.4	172.7	176.6	0	0	0	0	110	G142 G146 S147 V171	S140-G142 PolarHBondContact O-N 2.92Å; S140-G142 PolarHBondContact OG-N 3.31Å; S140-G146 CarbonylContact O-C 3.6Å; S140-S147 PolarHBondContact O-N 3.09Å; S140-V171 WeakPolarHBondContact CA-O 3.39Å; S140-V171 PolarHBondContact OG-O 3.47Å
141	F	96	Very high	96.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.3	179.3	-81.9	-132.7	0	0	0	112.3	H139 S147 A170 V171 Y172 N186 S187 T190 T191 M203 F267	H139-F141 AromaticContact CE1-CD2 3.61Å; H139-F141 AromaticContact CE1-CE2 3.39Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.36Å; H139-F141 AromaticContact NE2-CD2 3.92Å; H139-F141 AromaticContact NE2-CE2 3.46Å; H139-F141 WeakPolarHBondContact NE2-CE2 3.41Å; F141-S147 VanDerWaalsContact O-CB 3.26Å; F141-S147 WeakPolarHBondContact O-CB 3.35Å; F141-A170 HydrophobicContact CD2-CB 3.79Å; F141-A170 HydrophobicContact CE2-CB 3.37Å; F141-A170 HydrophobicContact CZ-CB 4.36Å; F141-V171 PolarHBondContact N-O 3.09Å; F141-Y172 HydrophobicContact CB-CD2 4.24Å; F141-Y172 AromaticContact CD1-CD2 3.74Å; F141-Y172 HydrophobicContact CD1-CD2 3.74Å; F141-Y172 AromaticContact CD1-CE2 3.73Å; F141-Y172 HydrophobicContact CD1-CE2 3.73Å; F141-Y172 HydrophobicContact CE1-CD2 4.24Å; F141-Y172 HydrophobicContact CE1-CE2 4.2Å; F141-Y172 AromaticContact CG-CD2 3.96Å; F141-Y172 HydrophobicContact CG-CD2 3.96Å; F141-Y172 HydrophobicContact CG-CE2 4.36Å; F141-N186 CarbonylContact O-C 3.49Å; F141-N186 VanDerWaalsContact O-C 3.28Å; F141-N186 WeakPolarHBondContact O-CB 3.24Å; F141-S187 WeakPolarHBondContact O-CA 3.42Å; F141-S187 PolarHBondContact O-N 3.31Å; F141-S187 PolarHBondContact O-OG 2.75Å; F141-T190 HydrophobicContact CB-CG2 3.86Å; F141-T190 HydrophobicContact CD1-CG2 3.43Å; F141-T190 VanDerWaalsContact CD1-CG2 3.43Å; F141-T190 HydrophobicContact CD2-CG2 4.24Å; F141-T190 HydrophobicContact CE1-CG2 3.98Å; F141-T190 HydrophobicContact CG-CG2 3.58Å; F141-T191 WeakPolarHBondContact CD1-OG1 3.47Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.34Å; F141-M203 HydrophobicContact CE1-CE 4.43Å; F141-M203 HydrophobicContact CZ-CE 4.34Å; F141-F267 HydrophobicContact CZ-CE1 4.28Å
142	G	92.9	Very high	96.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-18.9	-174.2	0	0	0	0	0	116	S140 N186	S140-G142 PolarHBondContact O-N 2.92Å; S140-G142 PolarHBondContact OG-N 3.31Å; G142-N186 PolarHBondContact O-ND2 3.38Å
143	G	92.7	Very high	96.8	Very high	15 Å²	15	4.1 Å²	4.1	16%	0.155	3%	0.028	C	C	.	.	S	Bend	trans	-96.9	144.4	-172.7	0	0	0	0	0	113	T145 G146 S147	G143-T145 PolarHBondContact O-N 3.37Å; G143-G146 CarbonylContact O-C 3.51Å; G143-G146 PolarHBondContact O-N 3.44Å; G143-S147 WeakPolarHBondContact O-CB 3.42Å; G143-S147 PolarHBondContact O-N 2.77Å; G143-S147 PolarHBondContact O-OG 2.97Å
144	G	95.3	Very high	97.1	Very high	2 Å²	2	2.8 Å²	2.8	2%	0.021	2%	0.022	C	C	.	.	H	α-helix	trans	-57.6	-48.1	-175	0	0	0	0	0	114.5	G148	G144-G148 WeakPolarHBondContact O-CA 3.44Å; G144-G148 PolarHBondContact O-N 3.08Å
145	T	97.6	Very high	97.3	Very high	11 Å²	11	5.6 Å²	5.6	7%	0.067	4%	0.035	C	C	.	.	I	π-helix	trans	-68.2	-49.1	172.7	-50.5	0	0	0	0	111.1	V9 D69 L70 G143 S147 F149 T150	V9-T145 HydrophobicContact CG1-CG2 3.98Å; D69-T145 PolarHBondContact OD1-OG1 3.11Å; L70-T145 HydrophobicContact CD1-CG2 4.46Å; L70-T145 HydrophobicContact CG-CG2 3.88Å; G143-T145 PolarHBondContact O-N 3.37Å; T145-S147 PolarHBondContact O-N 2.84Å; T145-F149 HydrophobicContact CG2-CB 4.05Å; T145-F149 HydrophobicContact CG2-CD1 4.46Å; T145-F149 VanDerWaalsContact O-CB 3.28Å; T145-F149 WeakPolarHBondContact O-CB 3.35Å; T145-F149 PolarHBondContact O-N 3Å; T145-F149 VanDerWaalsContact O-N 3.14Å; T145-T150 PolarHBondContact O-N 3.05Å
146	G	97	Very high	97.3	Very high	5 Å²	5	10.9 Å²	10.9	5%	0.052	6%	0.055	C	C	.	.	I	π-helix	trans	-63	-26.9	-175.6	0	0	0	0	0	113.9	H139 S140 G143 T150	H139-G146 WeakPolarHBondContact CB-O 3.37Å; H139-G146 PolarHBondContact ND1-O 2.97Å; S140-G146 CarbonylContact O-C 3.6Å; G143-G146 CarbonylContact O-C 3.51Å; G143-G146 PolarHBondContact O-N 3.44Å; G146-T150 WeakPolarHBondContact O-CB 3.37Å; G146-T150 PolarHBondContact O-OG1 3.04Å
147	S	97.6	Very high	97.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-98.6	-62.5	178.9	73.3	0	0	0	0	110.3	S140 F141 G143 T145 S151 N186 T190	S140-S147 PolarHBondContact O-N 3.09Å; F141-S147 VanDerWaalsContact O-CB 3.26Å; F141-S147 WeakPolarHBondContact O-CB 3.35Å; G143-S147 WeakPolarHBondContact O-CB 3.42Å; G143-S147 PolarHBondContact O-N 2.77Å; G143-S147 PolarHBondContact O-OG 2.97Å; T145-S147 PolarHBondContact O-N 2.84Å; S147-S151 WeakPolarHBondContact O-CB 3.36Å; S147-S151 PolarHBondContact O-N 2.68Å; S147-S151 PolarHBondContact O-OG 3.11Å; S147-S151 VanDerWaalsContact O-OG 3.06Å; S147-N186 WeakPolarHBondContact OG-CB 3.44Å; S147-T190 WeakPolarHBondContact CA-OG1 3.45Å; S147-T190 PolarHBondContact O-OG1 3.09Å; S147-T190 VanDerWaalsContact O-OG1 3.14Å
148	G	97.9	Very high	97.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-68	-50.3	-172.1	0	0	0	0	0	113.4	Y103 G106 H107 G144 S151 L152	Y103-G148 VanDerWaalsContact CD2-CA 3.41Å; Y103-G148 WeakPolarHBondContact O-CA 2.82Å; G106-G148 CarbonylContact O-C 3.5Å; H107-G148 PolarHBondContact CD2-O 3.4Å; H107-G148 VanDerWaalsContact CD2-O 3.29Å; G144-G148 WeakPolarHBondContact O-CA 3.44Å; G144-G148 PolarHBondContact O-N 3.08Å; G148-S151 PolarHBondContact O-N 2.85Å; G148-L152 PolarHBondContact O-N 2.72Å; G148-L152 VanDerWaalsContact O-N 3.16Å
149	F	98.5	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-70	-35.6	179.6	-179.7	-101	0	0	0	111.7	V9 V68 L70 G106 G111 L114 V115 V118 T145 L152 L153	V9-F149 HydrophobicContact CG1-CD1 3.67Å; V9-F149 HydrophobicContact CG1-CE1 4.41Å; V68-F149 HydrophobicContact CB-CE1 4.17Å; V68-F149 HydrophobicContact CG1-CD1 4.24Å; V68-F149 HydrophobicContact CG1-CE1 3.6Å; V68-F149 HydrophobicContact CG1-CZ 4.06Å; L70-F149 HydrophobicContact CD1-CB 4.47Å; L70-F149 HydrophobicContact CD2-CD2 4.18Å; L70-F149 HydrophobicContact CD2-CG 4.35Å; G106-F149 WeakPolarHBondContact O-CA 3.1Å; G106-F149 WeakPolarHBondContact O-CB 3.35Å; G106-F149 PolarHBondContact O-N 2.9Å; G111-F149 WeakPolarHBondContact O-CE2 3.44Å; L114-F149 HydrophobicContact CB-CE2 4.36Å; V115-F149 HydrophobicContact CB-CE2 3.91Å; V115-F149 HydrophobicContact CB-CZ 4.46Å; V115-F149 HydrophobicContact CG2-CE2 4.29Å; V118-F149 HydrophobicContact CB-CZ 4.19Å; V118-F149 HydrophobicContact CG1-CZ 4.38Å; V118-F149 HydrophobicContact CG2-CE1 4.36Å; V118-F149 HydrophobicContact CG2-CZ 3.8Å; T145-F149 HydrophobicContact CG2-CB 4.05Å; T145-F149 HydrophobicContact CG2-CD1 4.46Å; T145-F149 VanDerWaalsContact O-CB 3.28Å; T145-F149 WeakPolarHBondContact O-CB 3.35Å; T145-F149 PolarHBondContact O-N 3Å; T145-F149 VanDerWaalsContact O-N 3.14Å; F149-L152 PolarHBondContact O-N 3.48Å; F149-L153 HydrophobicContact CE1-CB 4.49Å; F149-L153 HydrophobicContact CE1-CD2 4.23Å; F149-L153 VanDerWaalsContact O-CB 3.28Å; F149-L153 WeakPolarHBondContact O-CB 3.49Å; F149-L153 PolarHBondContact O-N 2.82Å
150	T	98.6	Very high	97.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-44.8	173.9	-55.9	0	0	0	0	111.8	V9 V137 H139 T145 G146 L152 L153 M154	V9-T150 VanDerWaalsContact CG1-OG1 3.24Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.23Å; V137-T150 HydrophobicContact CG1-CG2 3.87Å; H139-T150 HydrophobicContact CB-CG2 4.26Å; T145-T150 PolarHBondContact O-N 3.05Å; G146-T150 WeakPolarHBondContact O-CB 3.37Å; G146-T150 PolarHBondContact O-OG1 3.04Å; T150-L152 PolarHBondContact O-N 2.99Å; T150-L153 PolarHBondContact O-N 3.37Å; T150-L153 VanDerWaalsContact O-N 3.17Å; T150-M154 HydrophobicContact CG2-CG 3.99Å; T150-M154 WeakPolarHBondContact O-CB 3.42Å; T150-M154 WeakPolarHBondContact O-CG 2.99Å; T150-M154 PolarHBondContact O-N 3.32Å
151	S	98.3	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.8	-49.4	176.4	-72.3	0	0	0	0	111.5	Y103 S147 G148 L153 M154 E155 T190	Y103-S151 VanDerWaalsContact OH-CB 3.22Å; Y103-S151 WeakPolarHBondContact OH-CB 3.32Å; Y103-S151 PolarHBondContact OH-OG 3.19Å; S147-S151 WeakPolarHBondContact O-CB 3.36Å; S147-S151 PolarHBondContact O-N 2.68Å; S147-S151 PolarHBondContact O-OG 3.11Å; S147-S151 VanDerWaalsContact O-OG 3.06Å; G148-S151 PolarHBondContact O-N 2.85Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 2.85Å; S151-M154 PolarHBondContact O-N 2.68Å; S151-E155 WeakPolarHBondContact O-CG 3.48Å; S151-E155 PolarHBondContact O-N 3.15Å; S151-E155 VanDerWaalsContact O-N 3.09Å; S151-T190 WeakPolarHBondContact OG-CA 3.29Å; S151-T190 PolarHBondContact OG-OG1 3.26Å
152	L	98.3	Very high	96.9	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.1	176.5	66.6	0	0	0	111.8	H107 K112 V115 G148 F149 T150 M154 R156	H107-L152 PolarHBondContact CD2-N 3.13Å; H107-L152 WeakPolarHBondContact O-CD2 3.43Å; K112-L152 HydrophobicContact CB-CD2 4.43Å; V115-L152 HydrophobicContact CB-CD2 3.85Å; V115-L152 HydrophobicContact CB-CG 4.42Å; V115-L152 HydrophobicContact CG1-CD2 4.02Å; V115-L152 HydrophobicContact CG2-CD2 4.1Å; V115-L152 HydrophobicContact CG2-CG 4.13Å; G148-L152 PolarHBondContact O-N 2.72Å; G148-L152 VanDerWaalsContact O-N 3.16Å; F149-L152 PolarHBondContact O-N 3.48Å; T150-L152 PolarHBondContact O-N 2.99Å; L152-M154 VanDerWaalsContact C-N 3.35Å; L152-M154 PolarHBondContact O-N 3Å; L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.35Å; L152-R156 PolarHBondContact O-N 2.81Å
153	L	98.5	Very high	96.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-40.5	179.7	179.5	60.8	0	0	0	111.5	L7 V9 V118 L119 I122 F149 T150 S151 R156 L157	L7-L153 HydrophobicContact CD1-CD2 4.24Å; V9-L153 HydrophobicContact CG2-CD2 4.17Å; V118-L153 HydrophobicContact CG1-CD1 4Å; V118-L153 HydrophobicContact CG1-CD2 4.33Å; L119-L153 HydrophobicContact CD2-CD1 4Å; L119-L153 HydrophobicContact CG-CD1 4.45Å; I122-L153 HydrophobicContact CD1-CD1 3.99Å; F149-L153 HydrophobicContact CE1-CB 4.49Å; F149-L153 HydrophobicContact CE1-CD2 4.23Å; F149-L153 VanDerWaalsContact O-CB 3.28Å; F149-L153 WeakPolarHBondContact O-CB 3.49Å; F149-L153 PolarHBondContact O-N 2.82Å; T150-L153 PolarHBondContact O-N 3.37Å; T150-L153 VanDerWaalsContact O-N 3.17Å; S151-L153 VanDerWaalsContact C-N 3.33Å; S151-L153 PolarHBondContact O-N 2.85Å; L153-R156 PolarHBondContact O-N 3.34Å; L153-L157 HydrophobicContact CD1-CD1 4.29Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.25Å; L153-L157 WeakPolarHBondContact O-CB 2.95Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.3Å; L153-L157 PolarHBondContact O-N 2.76Å
154	M	98.3	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.4	-39.2	-179.7	-74.3	-71.1	-77.5	0	0	112.4	V137 T150 S151 L152 L157 S158 K166 E168 T194 H197	V137-M154 HydrophobicContact CG2-SD 3.96Å; T150-M154 HydrophobicContact CG2-CG 3.99Å; T150-M154 WeakPolarHBondContact O-CB 3.42Å; T150-M154 WeakPolarHBondContact O-CG 2.99Å; T150-M154 PolarHBondContact O-N 3.32Å; S151-M154 PolarHBondContact O-N 2.68Å; L152-M154 VanDerWaalsContact C-N 3.35Å; L152-M154 PolarHBondContact O-N 3Å; M154-L157 HydrophobicContact SD-CD1 4.45Å; M154-S158 WeakPolarHBondContact O-CB 3.4Å; M154-S158 PolarHBondContact O-N 3.47Å; M154-S158 PolarHBondContact O-OG 3.09Å; M154-K166 HydrophobicContact CE-CB 3.98Å; M154-K166 HydrophobicContact CE-CD 4.11Å; M154-K166 HydrophobicContact CE-CG 4.46Å; M154-K166 HydrophobicContact SD-CB 4.48Å; M154-K166 HydrophobicContact SD-CD 4.11Å; M154-K166 HydrophobicContact SD-CG 4.46Å; M154-E168 HydrophobicContact CE-CG 4.26Å; M154-T194 HydrophobicContact CB-CG2 4.3Å; M154-T194 HydrophobicContact CG-CG2 4.26Å; M154-H197 HydrophobicContact CB-CB 4.1Å; M154-H197 HydrophobicContact CE-CB 4.34Å; M154-H197 WeakPolarHBondContact CE-O 3.46Å
155	E	97.8	Very high	96.8	Very high	58 Å²	58	38.1 Å²	38.1	27%	0.271	20%	0.2	S	C	.	.	H	α-helix	trans	-56.9	-50.7	170.7	-69.7	177.3	179.9	0	0	110.7	H107 S151 S158 V159 T193	H107-E155 IonicContact CE1-OE1 2.7Å; H107-E155 IonicContact NE2-OE1 2.69Å; H107-E155 PolarHBondContact NE2-OE1 3.3Å; S151-E155 WeakPolarHBondContact O-CG 3.48Å; S151-E155 PolarHBondContact O-N 3.15Å; S151-E155 VanDerWaalsContact O-N 3.09Å; E155-S158 WeakPolarHBondContact O-CB 3.49Å; E155-S158 PolarHBondContact O-N 3.11Å; E155-V159 PolarHBondContact O-N 2.97Å; E155-T193 HydrophobicContact CG-CG2 4.1Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.45Å
156	R	97.9	Very high	96.8	Very high	113 Å²	113	38 Å²	38	43%	0.426	20%	0.199	S	C	.	.	H	α-helix	trans	-67	-40.2	-178.1	-60.9	-64.6	174.3	-171.5	-5.8	112.6	V115 L119 L152 L153 S158 V159 D160	V115-R156 HydrophobicContact CG2-CG 4.2Å; L119-R156 HydrophobicContact CD1-CB 3.66Å; L119-R156 HydrophobicContact CD1-CG 3.98Å; L119-R156 HydrophobicContact CD2-CB 3.9Å; L119-R156 HydrophobicContact CG-CB 4.35Å; L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.35Å; L152-R156 PolarHBondContact O-N 2.81Å; L153-R156 PolarHBondContact O-N 3.34Å; R156-S158 VanDerWaalsContact C-N 3.26Å; R156-S158 PolarHBondContact O-N 2.93Å; R156-V159 WeakPolarHBondContact O-CB 3.5Å; R156-V159 PolarHBondContact O-N 3.26Å; R156-D160 PolarHBondContact O-N 3.43Å
157	L	97.8	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-34.2	173.9	-74.9	174.2	0	0	0	112.1	L7 L119 I122 F135 L153 M154 V159 F161 K166	L7-L157 HydrophobicContact CD1-CD1 3.45Å; L7-L157 VanDerWaalsContact CD1-CD1 3.45Å; L119-L157 HydrophobicContact CD2-CD2 4.34Å; I122-L157 HydrophobicContact CD1-CD2 4.11Å; I122-L157 HydrophobicContact CG2-CD2 4.07Å; F135-L157 HydrophobicContact CE1-CD2 4.3Å; F135-L157 HydrophobicContact CE2-CD2 4.2Å; F135-L157 HydrophobicContact CZ-CD2 4.03Å; L153-L157 HydrophobicContact CD1-CD1 4.29Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.25Å; L153-L157 WeakPolarHBondContact O-CB 2.95Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.3Å; L153-L157 PolarHBondContact O-N 2.76Å; M154-L157 HydrophobicContact SD-CD1 4.45Å; L157-V159 VanDerWaalsContact C-N 3.33Å; L157-F161 HydrophobicContact CD2-CD2 3.8Å; L157-F161 HydrophobicContact CD2-CE2 4.11Å; L157-F161 CarbonylContact O-C 3.4Å; L157-F161 VanDerWaalsContact O-CA 3.26Å; L157-F161 WeakPolarHBondContact O-CA 3.34Å; L157-F161 VanDerWaalsContact O-CB 3.3Å; L157-F161 WeakPolarHBondContact O-CB 3.48Å; L157-F161 PolarHBondContact O-N 3.34Å; L157-K166 HydrophobicContact CB-CD 4.25Å
158	S	96.8	Very high	96.8	Very high	26 Å²	26	37.8 Å²	37.8	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-69.9	-32.4	176.7	-61.9	0	0	0	0	112.1	M154 E155 R156 G162 K166 H197	M154-S158 WeakPolarHBondContact O-CB 3.4Å; M154-S158 PolarHBondContact O-N 3.47Å; M154-S158 PolarHBondContact O-OG 3.09Å; E155-S158 WeakPolarHBondContact O-CB 3.49Å; E155-S158 PolarHBondContact O-N 3.11Å; R156-S158 VanDerWaalsContact C-N 3.26Å; R156-S158 PolarHBondContact O-N 2.93Å; S158-G162 WeakPolarHBondContact O-CA 3.37Å; S158-G162 PolarHBondContact O-N 3.24Å; S158-G162 VanDerWaalsContact O-N 3.15Å; S158-K166 WeakPolarHBondContact OG-CE 3.28Å; S158-H197 WeakPolarHBondContact OG-CB 3.42Å; S158-H197 PolarHBondContact OG-ND1 3.36Å
159	V	97.1	Very high	96.8	Very high	114 Å²	114	38.1 Å²	38.1	69%	0.691	20%	0.198	S	C	*	.	H	α-helix	trans	-68.5	-52	172.6	176.5	0	0	0	0	111.2	E155 R156 L157	E155-V159 PolarHBondContact O-N 2.97Å; R156-V159 WeakPolarHBondContact O-CB 3.5Å; R156-V159 PolarHBondContact O-N 3.26Å; L157-V159 VanDerWaalsContact C-N 3.33Å
160	D	97	Very high	96.7	Very high	102 Å²	102	38.1 Å²	38.1	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-79.7	-30.4	-172.8	-70.5	-8.6	0	0	0	113	R156	R156-D160 PolarHBondContact O-N 3.43Å
161	F	96.6	Very high	96.6	Very high	30 Å²	30	38.3 Å²	38.3	13%	0.132	20%	0.199	C	C	.	.	S	Bend	trans	-131.6	39.1	-172.4	-56.1	-85.5	0	0	0	112.7	I122 L132 F135 L157 K163 K164	I122-F161 HydrophobicContact CG2-CE2 3.99Å; I122-F161 HydrophobicContact CG2-CZ 4.2Å; L132-F161 HydrophobicContact CD2-CD1 4.27Å; L132-F161 HydrophobicContact CD2-CE1 4.33Å; F135-F161 HydrophobicContact CE2-CB 3.68Å; F135-F161 HydrophobicContact CE2-CD1 4.23Å; F135-F161 HydrophobicContact CE2-CD2 4.01Å; F135-F161 AromaticContact CE2-CG 3.72Å; F135-F161 HydrophobicContact CE2-CG 3.72Å; F135-F161 HydrophobicContact CZ-CB 4.22Å; F135-F161 AromaticContact CZ-CD1 3.98Å; F135-F161 HydrophobicContact CZ-CD1 3.98Å; F135-F161 AromaticContact CZ-CD2 3.78Å; F135-F161 HydrophobicContact CZ-CD2 3.78Å; F135-F161 HydrophobicContact CZ-CE1 4.27Å; F135-F161 HydrophobicContact CZ-CE2 4.09Å; F135-F161 AromaticContact CZ-CG 3.73Å; F135-F161 HydrophobicContact CZ-CG 3.73Å; F135-F161 HydrophobicContact CZ-CZ 4.32Å; L157-F161 HydrophobicContact CD2-CD2 3.8Å; L157-F161 HydrophobicContact CD2-CE2 4.11Å; L157-F161 CarbonylContact O-C 3.4Å; L157-F161 VanDerWaalsContact O-CA 3.26Å; L157-F161 WeakPolarHBondContact O-CA 3.34Å; L157-F161 VanDerWaalsContact O-CB 3.3Å; L157-F161 WeakPolarHBondContact O-CB 3.48Å; L157-F161 PolarHBondContact O-N 3.34Å; F161-K163 PolarHBondContact O-N 2.89Å; F161-K164 HydrophobicContact CB-CB 4.06Å; F161-K164 HydrophobicContact CB-CG 3.86Å; F161-K164 HydrophobicContact CD1-CG 4.31Å; F161-K164 WeakPolarHBondContact O-CB 3.25Å; F161-K164 PolarHBondContact O-N 3.32Å
162	G	91.5	Very high	96.4	Very high	55 Å²	55	38.6 Å²	38.6	57%	0.567	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.4	-173.1	0	0	0	0	0	116.7	S158	S158-G162 WeakPolarHBondContact O-CA 3.37Å; S158-G162 PolarHBondContact O-N 3.24Å; S158-G162 VanDerWaalsContact O-N 3.15Å
163	K	91.3	Very high	96.1	Very high	204 Å²	204	38.7 Å²	38.7	89%	0.887	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	1	176.7	-62.3	-175.2	-179.4	-179.6	0	114.5	F161	F161-K163 PolarHBondContact O-N 2.89Å
164	K	94.4	Very high	95.6	Very high	70 Å²	70	38.8 Å²	38.8	30%	0.304	20%	0.202	S	C	.	.	S	Bend	trans	-99.3	135.6	-176.1	-58.6	-56.7	-178	-176.6	0	109.9	L132 F135 F161 K166	L132-K164 HydrophobicContact CD2-CG 4.44Å; L132-K164 WeakPolarHBondContact O-CD 3.33Å; L132-K164 WeakPolarHBondContact O-CE 3.34Å; L132-K164 PolarHBondContact O-NZ 3.19Å; F135-K164 HydrophobicContact CD2-CB 4.39Å; F135-K164 HydrophobicContact CE2-CB 4.07Å; F161-K164 HydrophobicContact CB-CB 4.06Å; F161-K164 HydrophobicContact CB-CG 3.86Å; F161-K164 HydrophobicContact CD1-CG 4.31Å; F161-K164 WeakPolarHBondContact O-CB 3.25Å; F161-K164 PolarHBondContact O-N 3.32Å; K164-K166 PolarHBondContact O-NZ 3.42Å
165	A	94.5	Very high	94.7	Very high	5 Å²	5	40 Å²	40	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	141.1	179.1	0	0	0	0	0	110.8	Q133 G134 F135 D199	Q133-A165 PolarHBondContact O-N 3.43Å; G134-A165 CarbonylContact C-O 3.48Å; G134-A165 WeakPolarHBondContact CA-O 3.37Å; F135-A165 PolarHBondContact N-O 3.33Å; A165-D199 VanDerWaalsContact CA-OD2 3.22Å; A165-D199 WeakPolarHBondContact CA-OD2 3.46Å
166	K	96.5	Very high	94	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	102.6	174.8	-75.3	169.2	-77.2	-66	0	107.8	F135 M154 L157 S158 K164 H197 D199	F135-K166 HydrophobicContact CB-CG 4.45Å; F135-K166 HydrophobicContact CD2-CG 4.19Å; M154-K166 HydrophobicContact CE-CB 3.98Å; M154-K166 HydrophobicContact CE-CD 4.11Å; M154-K166 HydrophobicContact CE-CG 4.46Å; M154-K166 HydrophobicContact SD-CB 4.48Å; M154-K166 HydrophobicContact SD-CD 4.11Å; M154-K166 HydrophobicContact SD-CG 4.46Å; L157-K166 HydrophobicContact CB-CD 4.25Å; S158-K166 WeakPolarHBondContact OG-CE 3.28Å; K164-K166 PolarHBondContact O-NZ 3.42Å; K166-H197 WeakPolarHBondContact CD-O 3.44Å; K166-H197 WeakPolarHBondContact CE-O 3.09Å; K166-D199 PolarHBondContact N-OD2 2.76Å; K166-D199 PolarHBondContact O-N 3.18Å
167	L	96.4	Very high	93.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.6	179.6	-56.5	177.5	0	0	0	109.2	F135 L136 V137 D199 C200 F202 L252 F255	F135-L167 PolarHBondContact O-N 3Å; L136-L167 CarbonylContact C-O 3.55Å; L136-L167 WeakPolarHBondContact CA-O 3.43Å; L136-L167 HydrophobicContact CD2-CB 3.97Å; L136-L167 HydrophobicContact CD2-CD1 3.97Å; L136-L167 HydrophobicContact CD2-CG 4.42Å; V137-L167 PolarHBondContact N-O 2.88Å; L167-D199 HydrophobicContact CD2-CB 4.48Å; L167-C200 CarbonylContact C-O 3.53Å; L167-C200 WeakPolarHBondContact CA-O 3.34Å; L167-C200 HydrophobicContact CD2-CB 3.66Å; L167-F202 HydrophobicContact CB-CE2 4.21Å; L167-F202 HydrophobicContact CD1-CE2 4.39Å; L167-L252 HydrophobicContact CD1-CB 4.11Å; L167-L252 HydrophobicContact CD1-CD1 4.48Å; L167-L252 HydrophobicContact CD1-CD2 3.68Å; L167-L252 HydrophobicContact CD1-CG 4.29Å; L167-F255 HydrophobicContact CD1-CD2 4.25Å
168	E	97.9	Very high	92.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.4	-177.6	-58.5	178.2	-78.2	0	0	111.1	V137 H139 M154 S198 C200 A201 F202	V137-E168 HydrophobicContact CB-CG 4.19Å; V137-E168 CarbonylContact O-C 3.42Å; V137-E168 VanDerWaalsContact O-CA 3.27Å; V137-E168 WeakPolarHBondContact O-CA 3.31Å; H139-E168 IonicContact CE1-OE2 3.54Å; H139-E168 PolarHBondContact CE1-OE2 2.85Å; H139-E168 IonicContact NE2-OE2 3.77Å; H139-E168 PolarHBondContact NE2-OE2 3.4Å; H139-E168 VanDerWaalsContact NE2-OE2 3.17Å; M154-E168 HydrophobicContact CE-CG 4.26Å; E168-S198 WeakPolarHBondContact OE1-CB 3.28Å; E168-S198 PolarHBondContact OE1-OG 3.44Å; E168-C200 PolarHBondContact N-O 3.06Å; E168-A201 HydrophobicContact CB-CB 4Å; E168-F202 WeakPolarHBondContact O-CB 3.4Å; E168-F202 WeakPolarHBondContact O-CD2 3.46Å; E168-F202 PolarHBondContact O-N 3.32Å
169	F	97.9	Very high	91.5	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	99.5	165.6	-68.6	-87.2	0	0	0	106.7	L136 V137 F138 H139 F202 V235 I238	L136-F169 HydrophobicContact CB-CD2 4.49Å; L136-F169 HydrophobicContact CB-CE2 4.16Å; L136-F169 HydrophobicContact CD1-CE2 4.3Å; L136-F169 HydrophobicContact CD2-CE2 4.23Å; L136-F169 HydrophobicContact CG-CE2 4.45Å; V137-F169 PolarHBondContact O-N 3.26Å; F138-F169 HydrophobicContact CD1-CB 3.56Å; F138-F169 HydrophobicContact CD1-CD2 4.04Å; F138-F169 AromaticContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD2-CD2 4.43Å; F138-F169 HydrophobicContact CE1-CB 3.79Å; F138-F169 HydrophobicContact CE1-CD1 4.38Å; F138-F169 AromaticContact CE1-CD2 3.54Å; F138-F169 HydrophobicContact CE1-CD2 3.54Å; F138-F169 HydrophobicContact CE1-CE2 4.19Å; F138-F169 AromaticContact CE1-CG 3.65Å; F138-F169 HydrophobicContact CE1-CG 3.65Å; F138-F169 AromaticContact CE2-CD2 3.98Å; F138-F169 HydrophobicContact CE2-CD2 3.98Å; F138-F169 HydrophobicContact CE2-CE2 4.41Å; F138-F169 HydrophobicContact CG-CB 4.18Å; F138-F169 HydrophobicContact CG-CD2 4.45Å; F138-F169 AromaticContact CZ-CD2 3.5Å; F138-F169 HydrophobicContact CZ-CD2 3.5Å; F138-F169 AromaticContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CG 4.11Å; H139-F169 PolarHBondContact N-O 3.28Å; F169-F202 HydrophobicContact CD1-CB 4.27Å; F169-F202 HydrophobicContact CD1-CD2 4.13Å; F169-F202 AromaticContact CE1-CD2 3.81Å; F169-F202 HydrophobicContact CE1-CD2 3.81Å; F169-F202 HydrophobicContact CE2-CD2 4.43Å; F169-F202 AromaticContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CE2 4.32Å; F169-V235 HydrophobicContact CD1-CG2 3.55Å; F169-V235 HydrophobicContact CE1-CB 4.15Å; F169-V235 HydrophobicContact CE1-CG1 4.43Å; F169-V235 HydrophobicContact CE1-CG2 3.48Å; F169-V235 VanDerWaalsContact CE1-CG2 3.48Å; F169-V235 HydrophobicContact CG-CG2 4.14Å; F169-V235 HydrophobicContact CZ-CB 4.39Å; F169-V235 HydrophobicContact CZ-CG1 4.2Å; F169-V235 HydrophobicContact CZ-CG2 4.06Å; F169-I238 HydrophobicContact CE1-CD1 3.62Å; F169-I238 HydrophobicContact CZ-CB 4.36Å; F169-I238 HydrophobicContact CZ-CD1 3.99Å; F169-I238 HydrophobicContact CZ-CG2 4.28Å
170	A	96.8	Very high	91	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.2	-161.9	0	0	0	0	0	112	F141 Y172 F202 M203 V204	F141-A170 HydrophobicContact CD2-CB 3.79Å; F141-A170 HydrophobicContact CE2-CB 3.37Å; F141-A170 HydrophobicContact CZ-CB 4.36Å; A170-Y172 PolarHBondContact O-N 3.44Å; A170-F202 PolarHBondContact N-O 3Å; A170-M203 HydrophobicContact CB-SD 4.01Å; A170-V204 WeakPolarHBondContact O-CG2 3.42Å; A170-V204 PolarHBondContact O-N 3.5Å
171	V	96.3	Very high	90.7	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	110	167.4	-176.7	0	0	0	0	109.2	M16 H139 S140 F141 V204 N206	M16-V171 HydrophobicContact CE-CG2 3.84Å; M16-V171 HydrophobicContact SD-CG2 3.64Å; H139-V171 PolarHBondContact O-N 3.3Å; S140-V171 WeakPolarHBondContact CA-O 3.39Å; S140-V171 PolarHBondContact OG-O 3.47Å; F141-V171 PolarHBondContact N-O 3.09Å; V171-V204 WeakPolarHBondContact CA-O 3.48Å; V171-V204 HydrophobicContact CB-CG2 4.5Å; V171-V204 HydrophobicContact CG2-CG2 3.98Å; V171-N206 WeakPolarHBondContact CG1-ND2 3.41Å
172	Y	95	Very high	90.6	Very high	6 Å²	6	41.9 Å²	41.9	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	152.3	-177.8	-162.5	-104.4	0	0	0	112.3	F141 A170 A174 M203 V204 A387 W388 L391	F141-Y172 HydrophobicContact CB-CD2 4.24Å; F141-Y172 AromaticContact CD1-CD2 3.74Å; F141-Y172 HydrophobicContact CD1-CD2 3.74Å; F141-Y172 AromaticContact CD1-CE2 3.73Å; F141-Y172 HydrophobicContact CD1-CE2 3.73Å; F141-Y172 HydrophobicContact CE1-CD2 4.24Å; F141-Y172 HydrophobicContact CE1-CE2 4.2Å; F141-Y172 AromaticContact CG-CD2 3.96Å; F141-Y172 HydrophobicContact CG-CD2 3.96Å; F141-Y172 HydrophobicContact CG-CE2 4.36Å; A170-Y172 PolarHBondContact O-N 3.44Å; Y172-A174 PolarHBondContact O-N 2.96Å; Y172-M203 HydrophobicContact CD1-CE 4.48Å; Y172-M203 HydrophobicContact CD2-CE 3.14Å; Y172-M203 HydrophobicContact CE2-CE 3.85Å; Y172-M203 HydrophobicContact CG-CE 3.52Å; Y172-V204 PolarHBondContact N-O 2.63Å; Y172-A387 HydrophobicContact CE1-CB 3.96Å; Y172-W388 HydrophobicContact CD2-CZ3 4.28Å; Y172-W388 HydrophobicContact CE1-CZ3 4.28Å; Y172-W388 HydrophobicContact CE2-CE3 4.13Å; Y172-W388 AromaticContact CE2-CH2 3.85Å; Y172-W388 HydrophobicContact CE2-CH2 3.85Å; Y172-W388 AromaticContact CE2-CZ3 3.25Å; Y172-W388 HydrophobicContact CE2-CZ3 3.25Å; Y172-W388 AromaticContact CZ-CE3 3.65Å; Y172-W388 AromaticContact CZ-CZ3 3.23Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.42Å; Y172-L391 HydrophobicContact CE2-CD2 4.46Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.15Å
173	P	91.9	Very high	90.8	Very high	8 Å²	8	39.7 Å²	39.7	5%	0.052	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-57.9	132.5	178.7	-28.7	36.7	0	0	0	114.2	E183 S187	P173-E183 HydrophobicContact CB-CG 3.89Å; P173-E183 HydrophobicContact CG-CG 3.71Å; P173-S187 WeakPolarHBondContact CG-OG 3.22Å
174	A	87.8	Confident	91	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-81.5	157.3	173.5	0	0	0	0	0	112.2	Y172 I177 D205 E207 K394	Y172-A174 PolarHBondContact O-N 2.96Å; A174-I177 HydrophobicContact CB-CB 3.97Å; A174-I177 VanDerWaalsContact CB-O 3.25Å; A174-I177 WeakPolarHBondContact CB-O 3.45Å; A174-D205 WeakPolarHBondContact CA-OD1 3.46Å; A174-D205 WeakPolarHBondContact CB-OD1 3.34Å; A174-E207 HydrophobicContact CB-CB 3.6Å; A174-K394 PolarHBondContact O-NZ 3.39Å; A174-K394 VanDerWaalsContact O-NZ 3.14Å
175	P	78.5	Confident	91.2	Very high	25 Å²	25	27 Å²	27	16%	0.162	15%	0.153	C	C	.	.	S	Bend	trans	-56.3	-49	170.2	-22.1	28.9	0	0	0	113.7	D205 E207 K304 K394	P175-D205 WeakPolarHBondContact CD-OD2 3.22Å; P175-E207 VanDerWaalsContact CD-OE2 3.3Å; P175-E207 WeakPolarHBondContact CD-OE2 3.45Å; P175-K304 HydrophobicContact CG-CB 3.7Å; P175-K304 HydrophobicContact CG-CG 4.07Å; P175-K394 PolarHBondContact O-NZ 3Å
176	H	83.6	Confident	91.3	Very high	162 Å²	162	26.7 Å²	26.7	75%	0.75	15%	0.151	S	C	*	.	S	Bend	trans	-117.6	-19.2	-168.5	-61.3	-56.2	0	0	0	114.3	E207	H176-E207 WeakPolarHBondContact CB-OE2 3.47Å; H176-E207 IonicContact CD2-OE1 3.42Å; H176-E207 PolarHBondContact CD2-OE1 3.4Å; H176-E207 IonicContact CD2-OE2 3.45Å; H176-E207 PolarHBondContact N-OE2 3.04Å
177	I	80.6	Confident	91.3	Very high	60 Å²	60	26.4 Å²	26.4	31%	0.308	15%	0.15	S	C	.	.			trans	-103.1	100.6	176.5	-54.8	-179.1	0	0	0	108.9	A174 E207 Y210	A174-I177 HydrophobicContact CB-CB 3.97Å; A174-I177 VanDerWaalsContact CB-O 3.25Å; A174-I177 WeakPolarHBondContact CB-O 3.45Å; I177-E207 HydrophobicContact CD1-CB 3.89Å; I177-E207 HydrophobicContact CD1-CG 4.13Å; I177-E207 HydrophobicContact CG1-CB 4.2Å; I177-E207 HydrophobicContact CG1-CG 4.34Å; I177-Y210 HydrophobicContact CD1-CD2 3.63Å; I177-Y210 HydrophobicContact CD1-CE2 4.13Å; I177-Y210 HydrophobicContact CD1-CG 4.45Å
178	S	81.1	Confident	91.4	Very high	61 Å²	61	26.3 Å²	26.3	43%	0.427	15%	0.149	S	C	.	.			trans	-115.1	132.9	174.5	-170.8	0	0	0	0	109.9	A180 E183	S178-A180 PolarHBondContact OG-O 2.83Å; S178-E183 VanDerWaalsContact CB-OE2 3.22Å; S178-E183 WeakPolarHBondContact CB-OE2 3.42Å; S178-E183 VanDerWaalsContact OG-CD 3.25Å; S178-E183 PolarHBondContact OG-OE2 2.84Å
179	T	78.2	Confident	91.4	Very high	76 Å²	76	26.4 Å²	26.4	47%	0.466	15%	0.15	S	C	.	.	S	Bend	trans	-86.7	-19.4	179	57.3	0	0	0	0	112.5
180	A	86.5	Confident	91.4	Very high	12 Å²	12	26.1 Å²	26.1	10%	0.099	15%	0.148	C	C	.	.			trans	-147.4	140.5	-178.4	0	0	0	0	0	111.3	N101 S178 V182 E183	N101-A180 HydrophobicContact CB-CB 3.7Å; S178-A180 PolarHBondContact OG-O 2.83Å; A180-V182 PolarHBondContact O-N 3.1Å; A180-V182 VanDerWaalsContact O-N 3.16Å; A180-E183 WeakPolarHBondContact O-CB 3.28Å; A180-E183 PolarHBondContact O-N 3.26Å; A180-E183 VanDerWaalsContact O-N 3.07Å
181	V	90.8	Very high	91.4	Very high	103 Å²	103	26.1 Å²	26.1	62%	0.624	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.1	179.1	-177.6	0	0	0	0	112	M398 F404	V181-M398 VanDerWaalsContact O-CE 3.29Å; V181-M398 WeakPolarHBondContact O-CE 3.4Å; V181-F404 HydrophobicContact CB-CE2 4.34Å; V181-F404 HydrophobicContact CB-CZ 4.48Å; V181-F404 HydrophobicContact CG1-CD2 4.35Å; V181-F404 HydrophobicContact CG1-CE2 3.45Å; V181-F404 VanDerWaalsContact CG1-CE2 3.45Å; V181-F404 HydrophobicContact CG1-CZ 3.87Å
182	V	95.2	Very high	91.4	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.8	-178.6	-58.6	0	0	0	0	114.1	N101 A180 P184 Y185 N186 M398 F404 Y408	N101-V182 HydrophobicContact CB-CG2 4.37Å; N101-V182 WeakPolarHBondContact O-CG2 3.43Å; A180-V182 PolarHBondContact O-N 3.1Å; A180-V182 VanDerWaalsContact O-N 3.16Å; V182-P184 VanDerWaalsContact O-N 3.15Å; V182-Y185 PolarHBondContact O-N 3.09Å; V182-N186 PolarHBondContact O-N 3.03Å; V182-M398 HydrophobicContact CG1-CE 4.5Å; V182-F404 HydrophobicContact CG1-CB 3.7Å; V182-F404 HydrophobicContact CG1-CD1 4.33Å; V182-F404 HydrophobicContact CG1-CD2 3.78Å; V182-F404 HydrophobicContact CG1-CG 3.67Å; V182-Y408 HydrophobicContact CB-CE2 4.29Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.34Å; V182-Y408 HydrophobicContact CG1-CE2 4.35Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.29Å
183	E	95.6	Very high	91.5	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-48.2	-38.9	175.5	172.3	179.8	-100.7	0	0	113.4	P173 S178 A180 Y185 N186 S187	P173-E183 HydrophobicContact CB-CG 3.89Å; P173-E183 HydrophobicContact CG-CG 3.71Å; S178-E183 VanDerWaalsContact CB-OE2 3.22Å; S178-E183 WeakPolarHBondContact CB-OE2 3.42Å; S178-E183 VanDerWaalsContact OG-CD 3.25Å; S178-E183 PolarHBondContact OG-OE2 2.84Å; A180-E183 WeakPolarHBondContact O-CB 3.28Å; A180-E183 PolarHBondContact O-N 3.26Å; A180-E183 VanDerWaalsContact O-N 3.07Å; E183-Y185 PolarHBondContact O-N 3.44Å; E183-N186 PolarHBondContact O-N 2.55Å; E183-S187 WeakPolarHBondContact O-CB 3.25Å; E183-S187 PolarHBondContact O-N 3.1Å; E183-S187 PolarHBondContact O-OG 3.38Å
184	P	96.2	Very high	91.7	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176.5	-27.2	37.5	0	0	0	114.2	V182 S187 I188 L391 K394 M398	V182-P184 VanDerWaalsContact O-N 3.15Å; P184-S187 PolarHBondContact O-N 2.87Å; P184-I188 WeakPolarHBondContact O-CG1 3.49Å; P184-I188 PolarHBondContact O-N 2.83Å; P184-I188 VanDerWaalsContact O-N 3.09Å; P184-L391 HydrophobicContact CB-CD1 3.99Å; P184-K394 HydrophobicContact CB-CB 4.09Å; P184-K394 HydrophobicContact CG-CB 3.83Å; P184-K394 HydrophobicContact CG-CD 4.31Å; P184-M398 HydrophobicContact CB-SD 4.15Å; P184-M398 HydrophobicContact CG-SD 3.79Å
185	Y	97.6	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-48.8	177.4	-70.7	-15	0	0	0	111.5	V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418	V182-Y185 PolarHBondContact O-N 3.09Å; E183-Y185 PolarHBondContact O-N 3.44Å; Y185-S187 PolarHBondContact O-N 3.08Å; Y185-I188 PolarHBondContact O-N 2.86Å; Y185-L189 WeakPolarHBondContact O-CB 3.18Å; Y185-L189 WeakPolarHBondContact O-CD1 3.31Å; Y185-L189 VanDerWaalsContact O-CG 3.26Å; Y185-L189 WeakPolarHBondContact O-CG 3.11Å; Y185-L189 PolarHBondContact O-N 2.87Å; Y185-F395 AromaticContact CD1-CD2 3.36Å; Y185-F395 HydrophobicContact CD1-CD2 3.36Å; Y185-F395 AromaticContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CE2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CG 4.23Å; Y185-F395 HydrophobicContact CD1-CZ 4.39Å; Y185-F395 AromaticContact CE1-CD2 3.77Å; Y185-F395 HydrophobicContact CE1-CD2 3.77Å; Y185-F395 AromaticContact CE1-CE2 3.8Å; Y185-F395 HydrophobicContact CE1-CE2 3.8Å; Y185-F395 HydrophobicContact CE1-CG 4.28Å; Y185-F395 HydrophobicContact CE1-CZ 4.32Å; Y185-F395 HydrophobicContact CG-CE2 4.5Å; Y185-M398 HydrophobicContact CD2-CE 4.43Å; Y185-M398 HydrophobicContact CE1-CB 3.92Å; Y185-M398 HydrophobicContact CE2-CE 4.18Å; Y185-M398 PolarHBondContact OH-O 2.91Å; Y185-Y399 HydrophobicContact CE1-CD2 4.46Å; Y185-Y399 VanDerWaalsContact OH-CA 3.27Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.44Å; Y185-Y399 PolarHBondContact OH-N 2.9Å; Y185-A403 WeakPolarHBondContact CE2-O 3.42Å; Y185-A403 PolarHBondContact OH-O 3.23Å; Y185-F404 HydrophobicContact CE2-CB 4.45Å; Y185-V405 HydrophobicContact CE2-CG2 4.24Å; Y185-Y408 HydrophobicContact CD2-CD2 4.34Å; Y185-Y408 AromaticContact CD2-CE2 3.79Å; Y185-Y408 HydrophobicContact CD2-CE2 3.79Å; Y185-Y408 AromaticContact CD2-CZ 3.99Å; Y185-F418 HydrophobicContact CD1-CD1 4.34Å; Y185-F418 AromaticContact CD1-CE1 3.99Å; Y185-F418 HydrophobicContact CD1-CE1 3.99Å; Y185-F418 AromaticContact CD2-CE1 3.71Å; Y185-F418 HydrophobicContact CD2-CE1 3.71Å; Y185-F418 HydrophobicContact CD2-CZ 4.13Å; Y185-F418 HydrophobicContact CE1-CE1 4.37Å; Y185-F418 HydrophobicContact CE2-CE1 4.11Å; Y185-F418 HydrophobicContact CE2-CZ 4.35Å; Y185-F418 HydrophobicContact CG-CD1 4.41Å; Y185-F418 AromaticContact CG-CE1 3.64Å; Y185-F418 HydrophobicContact CG-CE1 3.64Å; Y185-F418 HydrophobicContact CG-CZ 4.48Å
186	N	97.7	Very high	92.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.5	-42.8	179	-68.5	-11.5	0	0	0	111.9	N101 Y103 F141 G142 S147 V182 E183 T190 Y408	N101-N186 PolarHBondContact O-ND2 3.11Å; Y103-N186 VanDerWaalsContact CB-OD1 3.22Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.42Å; Y103-N186 PolarHBondContact N-OD1 3.14Å; F141-N186 CarbonylContact O-C 3.49Å; F141-N186 VanDerWaalsContact O-C 3.28Å; F141-N186 WeakPolarHBondContact O-CB 3.24Å; G142-N186 PolarHBondContact O-ND2 3.38Å; S147-N186 WeakPolarHBondContact OG-CB 3.44Å; V182-N186 PolarHBondContact O-N 3.03Å; E183-N186 PolarHBondContact O-N 2.55Å; N186-T190 VanDerWaalsContact O-CB 3.29Å; N186-T190 WeakPolarHBondContact O-CB 3.36Å; N186-T190 WeakPolarHBondContact O-CG2 3.03Å; N186-T190 PolarHBondContact O-N 2.68Å; N186-Y408 PolarHBondContact OD1-OH 3.12Å
187	S	96.9	Very high	93.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-73.5	-37	-175	-53.7	0	0	0	0	112.1	F141 P173 E183 P184 Y185 T190 T191	F141-S187 WeakPolarHBondContact O-CA 3.42Å; F141-S187 PolarHBondContact O-N 3.31Å; F141-S187 PolarHBondContact O-OG 2.75Å; P173-S187 WeakPolarHBondContact CG-OG 3.22Å; E183-S187 WeakPolarHBondContact O-CB 3.25Å; E183-S187 PolarHBondContact O-N 3.1Å; E183-S187 PolarHBondContact O-OG 3.38Å; P184-S187 PolarHBondContact O-N 2.87Å; Y185-S187 PolarHBondContact O-N 3.08Å; S187-T190 WeakPolarHBondContact O-CG2 3.06Å; S187-T191 WeakPolarHBondContact O-CB 3.4Å; S187-T191 PolarHBondContact O-N 3.3Å; S187-T191 VanDerWaalsContact O-N 3.11Å; S187-T191 PolarHBondContact O-OG1 3.35Å
188	I	97.3	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-49.4	174.3	-68	-157	0	0	0	110.4	P184 Y185 T190 T191 H192 L391 F395 A421 L425	P184-I188 WeakPolarHBondContact O-CG1 3.49Å; P184-I188 PolarHBondContact O-N 2.83Å; P184-I188 VanDerWaalsContact O-N 3.09Å; Y185-I188 PolarHBondContact O-N 2.86Å; I188-T190 PolarHBondContact O-N 3.24Å; I188-T191 PolarHBondContact O-N 3.17Å; I188-H192 WeakPolarHBondContact O-CB 3.27Å; I188-H192 PolarHBondContact O-N 3.19Å; I188-L391 HydrophobicContact CD1-CG 4.22Å; I188-L391 HydrophobicContact CG1-CD1 4.42Å; I188-L391 HydrophobicContact CG1-CD2 3.64Å; I188-L391 HydrophobicContact CG1-CG 3.73Å; I188-F395 HydrophobicContact CB-CD2 4.11Å; I188-F395 HydrophobicContact CB-CE2 4.4Å; I188-F395 HydrophobicContact CD1-CB 3.44Å; I188-F395 VanDerWaalsContact CD1-CB 3.44Å; I188-F395 HydrophobicContact CD1-CD1 4.31Å; I188-F395 HydrophobicContact CD1-CD2 3.49Å; I188-F395 VanDerWaalsContact CD1-CD2 3.49Å; I188-F395 HydrophobicContact CD1-CE2 4.3Å; I188-F395 HydrophobicContact CD1-CG 3.51Å; I188-F395 HydrophobicContact CG1-CB 4.4Å; I188-F395 HydrophobicContact CG1-CD2 4.01Å; I188-F395 HydrophobicContact CG1-CG 4.47Å; I188-F395 HydrophobicContact CG2-CD2 4.4Å; I188-F395 HydrophobicContact CG2-CE2 4.33Å; I188-A421 HydrophobicContact CG2-CB 3.77Å; I188-A421 WeakPolarHBondContact CG2-O 3.4Å; I188-L425 HydrophobicContact CB-CD2 4.41Å; I188-L425 HydrophobicContact CD1-CD2 3.8Å; I188-L425 HydrophobicContact CG1-CD2 3.63Å; I188-L425 HydrophobicContact CG2-CD2 4.48Å
189	L	98.2	Very high	94.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-44.5	-179.3	-69.4	165.1	0	0	0	111.6	Y103 Y185 H192 T193 Y408 M413 F418 A421	Y103-L189 HydrophobicContact CD1-CB 3.96Å; Y103-L189 HydrophobicContact CD1-CD1 3.77Å; Y103-L189 HydrophobicContact CD1-CG 4.42Å; Y103-L189 HydrophobicContact CD2-CB 3.82Å; Y103-L189 HydrophobicContact CE1-CB 3.97Å; Y103-L189 HydrophobicContact CE1-CD1 4.39Å; Y103-L189 HydrophobicContact CE2-CB 3.84Å; Y103-L189 HydrophobicContact CG-CB 3.93Å; Y103-L189 HydrophobicContact CG-CD1 3.96Å; Y185-L189 WeakPolarHBondContact O-CB 3.18Å; Y185-L189 WeakPolarHBondContact O-CD1 3.31Å; Y185-L189 VanDerWaalsContact O-CG 3.26Å; Y185-L189 WeakPolarHBondContact O-CG 3.11Å; Y185-L189 PolarHBondContact O-N 2.87Å; L189-H192 PolarHBondContact O-N 2.84Å; L189-T193 PolarHBondContact O-N 3.49Å; L189-T193 PolarHBondContact O-OG1 3.34Å; L189-Y408 HydrophobicContact CD1-CD1 3.86Å; L189-Y408 HydrophobicContact CD1-CE1 3.77Å; L189-M413 HydrophobicContact CD1-CE 3.97Å; L189-M413 HydrophobicContact CD1-SD 3.89Å; L189-M413 HydrophobicContact CD2-CE 4.04Å; L189-M413 HydrophobicContact CD2-SD 4.24Å; L189-F418 HydrophobicContact CD1-CD1 4.46Å; L189-F418 HydrophobicContact CD1-CE1 4.07Å; L189-A421 HydrophobicContact CD2-CB 3.97Å
190	T	97.8	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.8	-40.7	179.5	-156.1	0	0	0	0	112	F141 S147 S151 N186 S187 I188 H192 T193 T194	F141-T190 HydrophobicContact CB-CG2 3.86Å; F141-T190 HydrophobicContact CD1-CG2 3.43Å; F141-T190 VanDerWaalsContact CD1-CG2 3.43Å; F141-T190 HydrophobicContact CD2-CG2 4.24Å; F141-T190 HydrophobicContact CE1-CG2 3.98Å; F141-T190 HydrophobicContact CG-CG2 3.58Å; S147-T190 WeakPolarHBondContact CA-OG1 3.45Å; S147-T190 PolarHBondContact O-OG1 3.09Å; S147-T190 VanDerWaalsContact O-OG1 3.14Å; S151-T190 WeakPolarHBondContact OG-CA 3.29Å; S151-T190 PolarHBondContact OG-OG1 3.26Å; N186-T190 VanDerWaalsContact O-CB 3.29Å; N186-T190 WeakPolarHBondContact O-CB 3.36Å; N186-T190 WeakPolarHBondContact O-CG2 3.03Å; N186-T190 PolarHBondContact O-N 2.68Å; S187-T190 WeakPolarHBondContact O-CG2 3.06Å; I188-T190 PolarHBondContact O-N 3.24Å; T190-H192 VanDerWaalsContact C-N 3.3Å; T190-H192 PolarHBondContact O-N 3.38Å; T190-T193 PolarHBondContact O-N 3.22Å; T190-T194 WeakPolarHBondContact O-CB 3.28Å; T190-T194 WeakPolarHBondContact O-CG2 3.44Å; T190-T194 PolarHBondContact O-N 2.88Å; T190-T194 PolarHBondContact O-OG1 3.31Å
191	T	96.9	Very high	96	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-45.7	176.1	-53	0	0	0	0	110.2	F141 S187 I188 L195 F267 W388 L425 L428	F141-T191 WeakPolarHBondContact CD1-OG1 3.47Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.34Å; S187-T191 WeakPolarHBondContact O-CB 3.4Å; S187-T191 PolarHBondContact O-N 3.3Å; S187-T191 VanDerWaalsContact O-N 3.11Å; S187-T191 PolarHBondContact O-OG1 3.35Å; I188-T191 PolarHBondContact O-N 3.17Å; T191-L195 WeakPolarHBondContact O-CB 3.42Å; T191-L195 PolarHBondContact O-N 3.25Å; T191-L195 VanDerWaalsContact O-N 3.12Å; T191-F267 HydrophobicContact CG2-CE1 4.45Å; T191-F267 HydrophobicContact CG2-CZ 3.92Å; T191-W388 HydrophobicContact CG2-CZ3 4.44Å; T191-L425 HydrophobicContact CG2-CD1 3.86Å; T191-L428 HydrophobicContact CG2-CD2 4.39Å
192	H	96.9	Very high	96.3	Very high	56 Å²	56	17.7 Å²	17.7	26%	0.259	9%	0.088	S	C	.	.	H	α-helix	trans	-59.6	-53.4	178.3	173.3	59.3	0	0	0	111.8	I188 L189 T190 T194 L195 A421 D424	I188-H192 WeakPolarHBondContact O-CB 3.27Å; I188-H192 PolarHBondContact O-N 3.19Å; L189-H192 PolarHBondContact O-N 2.84Å; T190-H192 VanDerWaalsContact C-N 3.3Å; T190-H192 PolarHBondContact O-N 3.38Å; H192-T194 PolarHBondContact O-N 2.64Å; H192-L195 WeakPolarHBondContact O-CB 3.23Å; H192-L195 PolarHBondContact O-N 3.15Å; H192-A421 HydrophobicContact CB-CB 3.53Å; H192-D424 IonicContact CE1-OD2 3.47Å; H192-D424 IonicContact CG-OD2 2.85Å; H192-D424 WeakPolarHBondContact ND1-CB 3.43Å; H192-D424 IonicContact ND1-OD2 3.75Å; H192-D424 PolarHBondContact ND1-OD2 3.43Å
193	T	96.6	Very high	96.4	Very high	21 Å²	21	17.3 Å²	17.3	13%	0.129	9%	0.085	C	C	.	.	H	α-helix	trans	-70	-34.5	-176.2	-56.6	0	0	0	0	113.1	Y103 E155 L189 T190 H197	Y103-T193 PolarHBondContact OH-OG1 3.27Å; E155-T193 HydrophobicContact CG-CG2 4.1Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.45Å; L189-T193 PolarHBondContact O-N 3.49Å; L189-T193 PolarHBondContact O-OG1 3.34Å; T190-T193 PolarHBondContact O-N 3.22Å; T193-H197 PolarHBondContact O-CD2 3.26Å
194	T	96.8	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-84.9	-9.7	-179.8	64.6	0	0	0	0	114	M154 T190 H192 E196 H197 S198	M154-T194 HydrophobicContact CB-CG2 4.3Å; M154-T194 HydrophobicContact CG-CG2 4.26Å; T190-T194 WeakPolarHBondContact O-CB 3.28Å; T190-T194 WeakPolarHBondContact O-CG2 3.44Å; T190-T194 PolarHBondContact O-N 2.88Å; T190-T194 PolarHBondContact O-OG1 3.31Å; H192-T194 PolarHBondContact O-N 2.64Å; T194-E196 PolarHBondContact O-N 3.34Å; T194-E196 VanDerWaalsContact O-N 3.14Å; T194-H197 PolarHBondContact O-N 3.07Å; T194-S198 PolarHBondContact O-N 3Å
195	L	95.2	Very high	96.3	Very high	9 Å²	9	16.9 Å²	16.9	5%	0.047	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.1	-173	-161.6	70.2	0	0	0	113.6	T191 H192 R264 H266 F267 L428	T191-L195 WeakPolarHBondContact O-CB 3.42Å; T191-L195 PolarHBondContact O-N 3.25Å; T191-L195 VanDerWaalsContact O-N 3.12Å; H192-L195 WeakPolarHBondContact O-CB 3.23Å; H192-L195 PolarHBondContact O-N 3.15Å; L195-R264 HydrophobicContact CD2-CG 4.14Å; L195-R264 VanDerWaalsContact CD2-CZ 3.5Å; L195-R264 HydrophobicContact CG-CG 4.48Å; L195-H266 PolarHBondContact O-CE1 2.81Å; L195-F267 HydrophobicContact CD1-CE2 3.81Å; L195-F267 HydrophobicContact CD1-CZ 3.88Å; L195-L428 HydrophobicContact CD1-CD2 4.32Å
196	E	93.6	Very high	96.1	Very high	171 Å²	171	17.9 Å²	17.9	80%	0.799	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.3	179.8	-59.5	-170.2	162.2	0	0	113.5	T194	T194-E196 PolarHBondContact O-N 3.34Å; T194-E196 VanDerWaalsContact O-N 3.14Å
197	H	95.8	Very high	95.9	Very high	42 Å²	42	18.6 Å²	18.6	19%	0.194	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-15	-172	-60.4	-31.2	0	0	0	113.3	M154 S158 K166 T193 T194	M154-H197 HydrophobicContact CB-CB 4.1Å; M154-H197 HydrophobicContact CE-CB 4.34Å; M154-H197 WeakPolarHBondContact CE-O 3.46Å; S158-H197 WeakPolarHBondContact OG-CB 3.42Å; S158-H197 PolarHBondContact OG-ND1 3.36Å; K166-H197 WeakPolarHBondContact CD-O 3.44Å; K166-H197 WeakPolarHBondContact CE-O 3.09Å; T193-H197 PolarHBondContact O-CD2 3.26Å; T194-H197 PolarHBondContact O-N 3.07Å
198	S	95.4	Very high	95.9	Very high	10 Å²	10	18.8 Å²	18.8	7%	0.07	9%	0.093	C	C	.	.			trans	-96.7	134.6	176.8	-166.7	0	0	0	0	111.4	E168 T194	E168-S198 WeakPolarHBondContact OE1-CB 3.28Å; E168-S198 PolarHBondContact OE1-OG 3.44Å; T194-S198 PolarHBondContact O-N 3Å
199	D	94.9	Very high	95.8	Very high	33 Å²	33	18.8 Å²	18.8	18%	0.176	9%	0.093	C	C	.	.	S	Bend	trans	-86	-30.2	172.6	-65.5	-69.4	0	0	0	111.6	A165 K166 L167 Q256	A165-D199 VanDerWaalsContact CA-OD2 3.22Å; A165-D199 WeakPolarHBondContact CA-OD2 3.46Å; K166-D199 PolarHBondContact N-OD2 2.76Å; K166-D199 PolarHBondContact O-N 3.18Å; L167-D199 HydrophobicContact CD2-CB 4.48Å; D199-Q256 HydrophobicContact CB-CB 4.49Å; D199-Q256 HydrophobicContact CB-CG 4.38Å; D199-Q256 PolarHBondContact OD1-NE2 3.01Å
200	C	95	Very high	95.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	131	178.3	-176.3	0	0	0	0	110.5	L167 E168 F202 V260 P268	L167-C200 CarbonylContact C-O 3.53Å; L167-C200 WeakPolarHBondContact CA-O 3.34Å; L167-C200 HydrophobicContact CD2-CB 3.66Å; E168-C200 PolarHBondContact N-O 3.06Å; C200-F202 WeakPolarHBondContact SG-CE1 3.25Å; C200-V260 HydrophobicContact CB-CG2 4.39Å; C200-P268 VanDerWaalsContact SG-CD 3.56Å; C200-P268 VanDerWaalsContact SG-CG 3.59Å
201	A	96.6	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.4	177.4	0	0	0	0	0	111	E168 M203 H266 F267 P268	E168-A201 HydrophobicContact CB-CB 4Å; A201-M203 HydrophobicContact CB-SD 4.09Å; A201-M203 PolarHBondContact O-N 3.42Å; A201-H266 PolarHBondContact N-O 2.92Å; A201-F267 HydrophobicContact CB-CD1 3.77Å; A201-F267 HydrophobicContact CB-CE1 4.02Å; A201-F267 WeakPolarHBondContact O-CA 3.22Å; A201-P268 WeakPolarHBondContact O-CD 3.47Å
202	F	96.9	Very high	95.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.4	176.6	-57.2	-57	0	0	0	110	L167 E168 F169 A170 C200 I238 F255 L259 P268 T270 L378	L167-F202 HydrophobicContact CB-CE2 4.21Å; L167-F202 HydrophobicContact CD1-CE2 4.39Å; E168-F202 WeakPolarHBondContact O-CB 3.4Å; E168-F202 WeakPolarHBondContact O-CD2 3.46Å; E168-F202 PolarHBondContact O-N 3.32Å; F169-F202 HydrophobicContact CD1-CB 4.27Å; F169-F202 HydrophobicContact CD1-CD2 4.13Å; F169-F202 AromaticContact CE1-CD2 3.81Å; F169-F202 HydrophobicContact CE1-CD2 3.81Å; F169-F202 HydrophobicContact CE2-CD2 4.43Å; F169-F202 AromaticContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CE2 4.32Å; A170-F202 PolarHBondContact N-O 3Å; C200-F202 WeakPolarHBondContact SG-CE1 3.25Å; F202-I238 HydrophobicContact CD1-CD1 4.22Å; F202-I238 HydrophobicContact CD2-CD1 3.68Å; F202-I238 HydrophobicContact CE1-CD1 4.28Å; F202-I238 HydrophobicContact CE2-CD1 3.73Å; F202-I238 HydrophobicContact CE2-CG2 4.17Å; F202-I238 HydrophobicContact CG-CD1 3.94Å; F202-I238 HydrophobicContact CZ-CD1 4.04Å; F202-I238 HydrophobicContact CZ-CG2 4.46Å; F202-F255 HydrophobicContact CZ-CB 4.29Å; F202-F255 HydrophobicContact CZ-CD1 4.43Å; F202-F255 HydrophobicContact CZ-CD2 4.49Å; F202-F255 HydrophobicContact CZ-CG 4.16Å; F202-L259 HydrophobicContact CE1-CD1 4.14Å; F202-P268 HydrophobicContact CD1-CB 4.32Å; F202-P268 HydrophobicContact CD1-CG 4.49Å; F202-P268 HydrophobicContact CE1-CG 4.49Å; F202-T270 HydrophobicContact CB-CG2 3.8Å; F202-L378 HydrophobicContact CD1-CD1 4.29Å; F202-L378 HydrophobicContact CD1-CD2 3.96Å; F202-L378 HydrophobicContact CE1-CD1 3.66Å; F202-L378 HydrophobicContact CE1-CD2 4.2Å; F202-L378 HydrophobicContact CE1-CG 4.34Å; F202-L378 HydrophobicContact CZ-CD1 4.08Å
203	M	95.9	Very high	95.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.1	-170.5	-55	-57.4	-85.6	0	0	111.7	F141 A170 Y172 A201 F267 P268 T270 V303 W388	F141-M203 HydrophobicContact CE1-CE 4.43Å; F141-M203 HydrophobicContact CZ-CE 4.34Å; A170-M203 HydrophobicContact CB-SD 4.01Å; Y172-M203 HydrophobicContact CD1-CE 4.48Å; Y172-M203 HydrophobicContact CD2-CE 3.14Å; Y172-M203 HydrophobicContact CE2-CE 3.85Å; Y172-M203 HydrophobicContact CG-CE 3.52Å; A201-M203 HydrophobicContact CB-SD 4.09Å; A201-M203 PolarHBondContact O-N 3.42Å; M203-F267 HydrophobicContact CE-CD1 4.12Å; M203-F267 HydrophobicContact CG-CB 4.04Å; M203-F267 HydrophobicContact CG-CD1 4.39Å; M203-F267 HydrophobicContact SD-CD1 3.82Å; M203-P268 PolarHBondContact N-O 2.99Å; M203-T270 PolarHBondContact O-OG1 3.07Å; M203-V303 HydrophobicContact CB-CG2 3.77Å; M203-V303 WeakPolarHBondContact O-CG2 3.33Å; M203-W388 HydrophobicContact CE-CH2 3.82Å
204	V	95.8	Very high	95.3	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.036	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	151.6	168.1	-67.5	0	0	0	0	110.9	A170 V171 Y172 I209 I231 I234 T270 M302	A170-V204 WeakPolarHBondContact O-CG2 3.42Å; A170-V204 PolarHBondContact O-N 3.5Å; V171-V204 WeakPolarHBondContact CA-O 3.48Å; V171-V204 HydrophobicContact CB-CG2 4.5Å; V171-V204 HydrophobicContact CG2-CG2 3.98Å; Y172-V204 PolarHBondContact N-O 2.63Å; V204-I209 HydrophobicContact CB-CD1 3.92Å; V204-I209 HydrophobicContact CG1-CD1 4.28Å; V204-I231 HydrophobicContact CG1-CG1 4.5Å; V204-I231 HydrophobicContact CG2-CD1 4.04Å; V204-I231 HydrophobicContact CG2-CG1 4.46Å; V204-I234 HydrophobicContact CG1-CD1 4.32Å; V204-T270 WeakPolarHBondContact CG1-OG1 3.38Å; V204-M302 CarbonylContact C-O 3.58Å; V204-M302 WeakPolarHBondContact CA-O 3.48Å; V204-M302 HydrophobicContact CG1-CB 4.17Å
205	D	94.5	Very high	95.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.4	177.3	176.3	-10.1	0	0	0	108.6	A174 P175 E207 A208 I209 M302 K304	A174-D205 WeakPolarHBondContact CA-OD1 3.46Å; A174-D205 WeakPolarHBondContact CB-OD1 3.34Å; P175-D205 WeakPolarHBondContact CD-OD2 3.22Å; D205-E207 VanDerWaalsContact C-N 3.28Å; D205-E207 PolarHBondContact O-N 2.99Å; D205-E207 WeakPolarHBondContact OD1-CB 3.48Å; D205-E207 PolarHBondContact OD1-N 3.16Å; D205-A208 HydrophobicContact CB-CB 4.2Å; D205-A208 PolarHBondContact O-N 2.79Å; D205-I209 WeakPolarHBondContact O-CG1 3.5Å; D205-I209 PolarHBondContact O-N 3.09Å; D205-I209 VanDerWaalsContact O-N 3.13Å; D205-M302 PolarHBondContact N-O 2.76Å; D205-K304 WeakPolarHBondContact OD2-CB 3.29Å; D205-K304 WeakPolarHBondContact OD2-CG 3.44Å
206	N	93.6	Very high	95.1	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.112	16%	0.157	C	C	.	.	H	α-helix	trans	-54.3	-43.6	176.4	-72.2	-36.4	0	0	0	112.3	V171 I209 Y210 L227	V171-N206 WeakPolarHBondContact CG1-ND2 3.41Å; N206-I209 PolarHBondContact O-N 2.87Å; N206-Y210 HydrophobicContact CB-CD2 4.19Å; N206-Y210 HydrophobicContact CB-CE2 4.04Å; N206-Y210 WeakPolarHBondContact O-CB 3.43Å; N206-Y210 WeakPolarHBondContact O-CD2 3.22Å; N206-Y210 PolarHBondContact O-N 3.44Å; N206-L227 HydrophobicContact CB-CD2 3.98Å
207	E	94.4	Very high	95.1	Very high	15 Å²	15	28 Å²	28	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-45	-177.8	-175.9	178.9	149	0	0	112.2	A174 P175 H176 I177 D205 I209 Y210 E211 K304	A174-E207 HydrophobicContact CB-CB 3.6Å; P175-E207 VanDerWaalsContact CD-OE2 3.3Å; P175-E207 WeakPolarHBondContact CD-OE2 3.45Å; H176-E207 WeakPolarHBondContact CB-OE2 3.47Å; H176-E207 IonicContact CD2-OE1 3.42Å; H176-E207 PolarHBondContact CD2-OE1 3.4Å; H176-E207 IonicContact CD2-OE2 3.45Å; H176-E207 PolarHBondContact N-OE2 3.04Å; I177-E207 HydrophobicContact CD1-CB 3.89Å; I177-E207 HydrophobicContact CD1-CG 4.13Å; I177-E207 HydrophobicContact CG1-CB 4.2Å; I177-E207 HydrophobicContact CG1-CG 4.34Å; D205-E207 VanDerWaalsContact C-N 3.28Å; D205-E207 PolarHBondContact O-N 2.99Å; D205-E207 WeakPolarHBondContact OD1-CB 3.48Å; D205-E207 PolarHBondContact OD1-N 3.16Å; E207-I209 VanDerWaalsContact C-N 3.35Å; E207-I209 PolarHBondContact O-N 2.78Å; E207-Y210 WeakPolarHBondContact O-CB 3.36Å; E207-Y210 PolarHBondContact O-N 3.01Å; E207-E211 WeakPolarHBondContact O-CG 3.31Å; E207-E211 PolarHBondContact O-N 3.45Å; E207-K304 HydrophobicContact CB-CG 4.31Å; E207-K304 HydrophobicContact CG-CD 4.45Å; E207-K304 HydrophobicContact CG-CG 4.33Å; E207-K304 WeakPolarHBondContact OE1-CE 3.27Å; E207-K304 IonicContact OE1-NZ 3.79Å
208	A	95.4	Very high	94.9	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.033	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-45.6	175.2	0	0	0	0	0	111.4	D205 Y210 E211 I212 M302 K304	D205-A208 HydrophobicContact CB-CB 4.2Å; D205-A208 PolarHBondContact O-N 2.79Å; A208-Y210 PolarHBondContact O-N 3.03Å; A208-E211 PolarHBondContact O-N 3.25Å; A208-I212 VanDerWaalsContact O-CG1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.18Å; A208-I212 PolarHBondContact O-N 2.89Å; A208-M302 VanDerWaalsContact CB-C 3.47Å; A208-K304 HydrophobicContact CB-CD 4.16Å; A208-K304 HydrophobicContact CB-CG 4.11Å
209	I	95.9	Very high	94.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.9	-36.2	-180	-57.3	169.2	0	0	0	111.2	V204 D205 N206 E207 E211 I212 C213 L227 L230 I231 M302	V204-I209 HydrophobicContact CB-CD1 3.92Å; V204-I209 HydrophobicContact CG1-CD1 4.28Å; D205-I209 WeakPolarHBondContact O-CG1 3.5Å; D205-I209 PolarHBondContact O-N 3.09Å; D205-I209 VanDerWaalsContact O-N 3.13Å; N206-I209 PolarHBondContact O-N 2.87Å; E207-I209 VanDerWaalsContact C-N 3.35Å; E207-I209 PolarHBondContact O-N 2.78Å; I209-E211 PolarHBondContact O-N 3.13Å; I209-I212 PolarHBondContact O-N 3.14Å; I209-C213 WeakPolarHBondContact O-CB 3.35Å; I209-C213 PolarHBondContact O-N 3.44Å; I209-C213 PolarHBondContact O-SG 3.14Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; I209-L227 HydrophobicContact CB-CD2 4.49Å; I209-L227 HydrophobicContact CB-CG 3.93Å; I209-L227 HydrophobicContact CG2-CB 4.07Å; I209-L227 HydrophobicContact CG2-CD1 4.21Å; I209-L227 HydrophobicContact CG2-CG 3.6Å; I209-L230 HydrophobicContact CG2-CB 4.28Å; I209-L230 HydrophobicContact CG2-CD1 3.62Å; I209-I231 HydrophobicContact CD1-CD1 4.01Å; I209-I231 HydrophobicContact CD1-CG1 3.89Å; I209-M302 HydrophobicContact CD1-SD 4.13Å; I209-M302 HydrophobicContact CG1-CB 4.09Å; I209-M302 HydrophobicContact CG1-CG 4.25Å; I209-M302 HydrophobicContact CG1-SD 3.95Å
210	Y	95.1	Very high	94.5	Very high	44 Å²	44	35.3 Å²	35.3	17%	0.173	17%	0.165	C	C	.	.	H	α-helix	trans	-57	-47.4	172.3	-86.7	-64.4	0	0	0	111.5	I177 N206 E207 A208 C213 R214 P222 L227	I177-Y210 HydrophobicContact CD1-CD2 3.63Å; I177-Y210 HydrophobicContact CD1-CE2 4.13Å; I177-Y210 HydrophobicContact CD1-CG 4.45Å; N206-Y210 HydrophobicContact CB-CD2 4.19Å; N206-Y210 HydrophobicContact CB-CE2 4.04Å; N206-Y210 WeakPolarHBondContact O-CB 3.43Å; N206-Y210 WeakPolarHBondContact O-CD2 3.22Å; N206-Y210 PolarHBondContact O-N 3.44Å; E207-Y210 WeakPolarHBondContact O-CB 3.36Å; E207-Y210 PolarHBondContact O-N 3.01Å; A208-Y210 PolarHBondContact O-N 3.03Å; Y210-C213 PolarHBondContact O-N 2.94Å; Y210-R214 WeakPolarHBondContact O-CB 3.42Å; Y210-R214 PolarHBondContact O-N 3.29Å; Y210-P222 HydrophobicContact CD1-CB 3.66Å; Y210-P222 HydrophobicContact CD1-CG 3.9Å; Y210-P222 HydrophobicContact CE1-CB 3.94Å; Y210-P222 VanDerWaalsContact CE1-O 3.31Å; Y210-P222 WeakPolarHBondContact CE1-O 3.38Å; Y210-L227 HydrophobicContact CD1-CD1 3.73Å; Y210-L227 HydrophobicContact CD1-CD2 4.45Å; Y210-L227 HydrophobicContact CD2-CD1 4.49Å; Y210-L227 HydrophobicContact CD2-CD2 3.81Å; Y210-L227 HydrophobicContact CE1-CD1 3.67Å; Y210-L227 HydrophobicContact CE1-CD2 4.16Å; Y210-L227 HydrophobicContact CE2-CD1 4.45Å; Y210-L227 HydrophobicContact CE2-CD2 3.49Å; Y210-L227 VanDerWaalsContact CE2-CD2 3.49Å; Y210-L227 HydrophobicContact CG-CD1 4.09Å; Y210-L227 HydrophobicContact CG-CD2 4.23Å
211	E	95.4	Very high	94.4	Very high	95 Å²	95	45.8 Å²	45.8	44%	0.444	21%	0.205	S	C	.	.	H	α-helix	trans	-64.2	-41.7	178.1	-72.5	178.5	171.5	0	0	112.1	E207 A208 I209 R214 R215 K304	E207-E211 WeakPolarHBondContact O-CG 3.31Å; E207-E211 PolarHBondContact O-N 3.45Å; A208-E211 PolarHBondContact O-N 3.25Å; I209-E211 PolarHBondContact O-N 3.13Å; E211-R214 PolarHBondContact O-N 2.89Å; E211-R215 VanDerWaalsContact O-CB 3.23Å; E211-R215 WeakPolarHBondContact O-CB 3.46Å; E211-R215 PolarHBondContact O-N 3.45Å; E211-K304 IonicContact OE1-NZ 3.81Å; E211-K304 PolarHBondContact OE1-NZ 3.3Å; E211-K304 IonicContact OE2-NZ 2.76Å; E211-K304 PolarHBondContact OE2-NZ 2.78Å
212	I	96.1	Very high	94.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-49.2	175	-72.1	167.8	0	0	0	110.7	A208 I209 R214 R215 N216 L230 I275 A299 M302	A208-I212 VanDerWaalsContact O-CG1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.18Å; A208-I212 PolarHBondContact O-N 2.89Å; I209-I212 PolarHBondContact O-N 3.14Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.37Å; I212-R215 PolarHBondContact O-N 3.06Å; I212-N216 VanDerWaalsContact O-CB 3.28Å; I212-N216 WeakPolarHBondContact O-CB 3.44Å; I212-N216 PolarHBondContact O-N 2.98Å; I212-L230 HydrophobicContact CG2-CD1 4.18Å; I212-I275 HydrophobicContact CG2-CB 4.37Å; I212-I275 HydrophobicContact CG2-CD1 3.43Å; I212-I275 VanDerWaalsContact CG2-CD1 3.43Å; I212-I275 HydrophobicContact CG2-CG1 4.47Å; I212-I275 HydrophobicContact CG2-CG2 3.87Å; I212-A299 WeakPolarHBondContact CG1-O 3.21Å; I212-M302 HydrophobicContact CD1-CG 4.1Å
213	C	95.1	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-46.4	177.1	-77.2	0	0	0	0	111.6	I209 Y210 L217 T218 I219 P222 L230	I209-C213 WeakPolarHBondContact O-CB 3.35Å; I209-C213 PolarHBondContact O-N 3.44Å; I209-C213 PolarHBondContact O-SG 3.14Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; Y210-C213 PolarHBondContact O-N 2.94Å; C213-L217 CarbonylContact O-C 3.53Å; C213-L217 WeakPolarHBondContact O-CA 3.26Å; C213-L217 VanDerWaalsContact O-CB 3.23Å; C213-L217 WeakPolarHBondContact O-CB 3.42Å; C213-L217 PolarHBondContact O-N 2.8Å; C213-T218 PolarHBondContact O-N 3.37Å; C213-I219 PolarHBondContact O-N 3.31Å; C213-P222 HydrophobicContact CB-CB 3.74Å; C213-P222 HydrophobicContact CB-CG 3.57Å; C213-L230 WeakPolarHBondContact SG-CD1 3.36Å
214	R	94.9	Very high	94	Very high	161 Å²	161	53.9 Å²	53.9	61%	0.608	25%	0.246	S	C	*	.	H	α-helix	trans	-65.7	-45.5	-178.4	-173.5	176.1	175.5	-165.5	-1.9	112.2	Y210 E211 I212 T218 I219	Y210-R214 WeakPolarHBondContact O-CB 3.42Å; Y210-R214 PolarHBondContact O-N 3.29Å; E211-R214 PolarHBondContact O-N 2.89Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.37Å; R214-T218 WeakPolarHBondContact O-CA 3.27Å; R214-T218 PolarHBondContact O-N 3.08Å; R214-I219 VanDerWaalsContact CA-O 3.32Å; R214-I219 WeakPolarHBondContact CA-O 3.42Å
215	R	94	Very high	93.9	Very high	115 Å²	115	56.1 Å²	56.1	43%	0.434	26%	0.262	S	S	.	.	H	α-helix	trans	-72.5	-49.5	-176.8	-178.3	172.7	55.3	89.9	1.1	112.2	E211 I212 A299 N300	E211-R215 VanDerWaalsContact O-CB 3.23Å; E211-R215 WeakPolarHBondContact O-CB 3.46Å; E211-R215 PolarHBondContact O-N 3.45Å; I212-R215 PolarHBondContact O-N 3.06Å; R215-A299 VanDerWaalsContact NH2-C 3.25Å; R215-A299 PolarHBondContact NH2-O 2.72Å; R215-N300 PolarHBondContact NH2-OD1 2.82Å
216	N	93.4	Very high	93.9	Very high	25 Å²	25	56.8 Å²	56.8	13%	0.134	27%	0.265	C	S	.	.	H	α-helix	trans	-91.2	-44.5	-169.1	-65.6	-5.6	0	0	0	111.8	I212 I275 K280	I212-N216 VanDerWaalsContact O-CB 3.28Å; I212-N216 WeakPolarHBondContact O-CB 3.44Å; I212-N216 PolarHBondContact O-N 2.98Å; N216-I275 HydrophobicContact CB-CB 4.42Å; N216-I275 HydrophobicContact CB-CG2 3.99Å; N216-I275 WeakPolarHBondContact CB-O 3.47Å; N216-K280 PolarHBondContact O-NZ 2.99Å
217	L	93.1	Very high	94	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.063	26%	0.26	C	S	.	.	S	Bend	trans	-87.7	-7.3	-178.2	-51	179.9	0	0	0	113.3	C213 I219 I275 D367 L368	C213-L217 CarbonylContact O-C 3.53Å; C213-L217 WeakPolarHBondContact O-CA 3.26Å; C213-L217 VanDerWaalsContact O-CB 3.23Å; C213-L217 WeakPolarHBondContact O-CB 3.42Å; C213-L217 PolarHBondContact O-N 2.8Å; L217-I219 VanDerWaalsContact C-N 3.25Å; L217-I219 HydrophobicContact CB-CD1 3.79Å; L217-I219 HydrophobicContact CB-CG1 3.84Å; L217-I219 HydrophobicContact CD1-CD1 4.08Å; L217-I219 PolarHBondContact O-N 3.16Å; L217-I275 HydrophobicContact CD1-CG2 4.31Å; L217-I275 HydrophobicContact CD2-CG2 3.68Å; L217-I275 HydrophobicContact CG-CG2 3.91Å; L217-D367 HydrophobicContact CD1-CB 4.16Å; L217-L368 HydrophobicContact CD1-CD2 4.33Å; L217-L368 HydrophobicContact CD2-CD2 3.91Å
218	T	90.8	Very high	94.1	Very high	80 Å²	80	55.5 Å²	55.5	49%	0.491	26%	0.259	S	S	.	.			trans	62.1	33.9	179.1	-32.1	0	0	0	0	112.3	C213 R214 K280	C213-T218 PolarHBondContact O-N 3.37Å; R214-T218 WeakPolarHBondContact O-CA 3.27Å; R214-T218 PolarHBondContact O-N 3.08Å; T218-K280 WeakPolarHBondContact OG1-CE 3.48Å; T218-K280 PolarHBondContact OG1-NZ 2.83Å
219	I	91.3	Very high	94.1	Very high	28 Å²	28	58.2 Å²	58.2	14%	0.144	27%	0.268	C	S	.	.			trans	-95.9	108.8	177.8	-53.5	171.6	0	0	0	108.6	C213 R214 L217 R221 P222 N226 D367	C213-I219 PolarHBondContact O-N 3.31Å; R214-I219 VanDerWaalsContact CA-O 3.32Å; R214-I219 WeakPolarHBondContact CA-O 3.42Å; L217-I219 VanDerWaalsContact C-N 3.25Å; L217-I219 HydrophobicContact CB-CD1 3.79Å; L217-I219 HydrophobicContact CB-CG1 3.84Å; L217-I219 HydrophobicContact CD1-CD1 4.08Å; L217-I219 PolarHBondContact O-N 3.16Å; I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 2.9Å; I219-P222 HydrophobicContact CB-CG 4.24Å; I219-P222 HydrophobicContact CG2-CB 4.21Å; I219-P222 HydrophobicContact CG2-CG 4.14Å; I219-P222 WeakPolarHBondContact O-CD 3.13Å; I219-N226 HydrophobicContact CD1-CB 4.28Å; I219-D367 HydrophobicContact CD1-CB 3.85Å
220	D	91.4	Very high	94.1	Very high	132 Å²	132	58.2 Å²	58.2	71%	0.706	27%	0.269	S	S	*	.	S	Bend	trans	-62.7	-37.2	-177	-75.3	-34.9	0	0	0	113.6
221	R	92.3	Very high	94.1	Very high	220 Å²	220	56.3 Å²	56.3	83%	0.83	26%	0.261	S	S	*	.	S	Bend	trans	-130.3	80.8	178.1	-64	-175.3	-176.6	-172.6	1	109.4	I219	I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 2.9Å
222	P	94	Very high	94.2	Very high	20 Å²	20	51.8 Å²	51.8	13%	0.13	24%	0.24	C	C	.	.			trans	-60.1	158.6	174.8	-13	26.5	0	0	0	109.9	Y210 C213 I219 N226 L227	Y210-P222 HydrophobicContact CD1-CB 3.66Å; Y210-P222 HydrophobicContact CD1-CG 3.9Å; Y210-P222 HydrophobicContact CE1-CB 3.94Å; Y210-P222 VanDerWaalsContact CE1-O 3.31Å; Y210-P222 WeakPolarHBondContact CE1-O 3.38Å; C213-P222 HydrophobicContact CB-CB 3.74Å; C213-P222 HydrophobicContact CB-CG 3.57Å; I219-P222 HydrophobicContact CB-CG 4.24Å; I219-P222 HydrophobicContact CG2-CB 4.21Å; I219-P222 HydrophobicContact CG2-CG 4.14Å; I219-P222 WeakPolarHBondContact O-CD 3.13Å; P222-N226 HydrophobicContact CB-CB 4.38Å; P222-L227 HydrophobicContact CB-CD1 4.06Å
223	T	93.9	Very high	94.2	Very high	71 Å²	71	52.1 Å²	52.1	44%	0.436	24%	0.242	S	C	.	.			trans	-124.5	166.9	177.5	66.9	0	0	0	0	109.2	S225 N226 L227	T223-S225 PolarHBondContact O-N 2.96Å; T223-S225 VanDerWaalsContact O-N 3.09Å; T223-S225 PolarHBondContact OG1-N 3.22Å; T223-N226 PolarHBondContact N-OD1 3.01Å; T223-N226 WeakPolarHBondContact O-CB 3.48Å; T223-N226 PolarHBondContact O-N 3.34Å; T223-N226 PolarHBondContact OG1-OD1 3.19Å; T223-L227 WeakPolarHBondContact O-CD1 3.32Å; T223-L227 PolarHBondContact O-N 3.17Å; T223-L227 VanDerWaalsContact O-N 3.13Å
224	Y	93.5	Very high	94.3	Very high	81 Å²	81	52.3 Å²	52.3	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-55.6	-27.7	173.5	-68.6	-63.2	0	0	0	113.3	L227 N228	Y224-L227 HydrophobicContact CD1-CD2 4.23Å; Y224-L227 PolarHBondContact O-N 2.64Å; Y224-N228 VanDerWaalsContact O-CB 3.25Å; Y224-N228 WeakPolarHBondContact O-CB 3.22Å; Y224-N228 PolarHBondContact O-N 3.3Å; Y224-N228 PolarHBondContact O-ND2 3.45Å
225	S	94.1	Very high	94.4	Very high	52 Å²	52	44.6 Å²	44.6	36%	0.364	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-40.5	173	-177.6	0	0	0	0	112.1	T223 R229	T223-S225 PolarHBondContact O-N 2.96Å; T223-S225 VanDerWaalsContact O-N 3.09Å; T223-S225 PolarHBondContact OG1-N 3.22Å; S225-R229 WeakPolarHBondContact O-CB 3.46Å; S225-R229 VanDerWaalsContact O-CG 3.26Å; S225-R229 WeakPolarHBondContact O-CG 3.44Å; S225-R229 PolarHBondContact O-N 3.13Å; S225-R229 VanDerWaalsContact O-N 3.11Å
226	N	94.5	Very high	94.4	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.08	19%	0.193	C	C	.	.	H	α-helix	trans	-67.9	-43	176.9	-50.6	110.4	0	0	0	110.9	I219 P222 T223 R229 L230 D367	I219-N226 HydrophobicContact CD1-CB 4.28Å; P222-N226 HydrophobicContact CB-CB 4.38Å; T223-N226 PolarHBondContact N-OD1 3.01Å; T223-N226 WeakPolarHBondContact O-CB 3.48Å; T223-N226 PolarHBondContact O-N 3.34Å; T223-N226 PolarHBondContact OG1-OD1 3.19Å; N226-R229 PolarHBondContact O-N 3.44Å; N226-L230 PolarHBondContact O-N 2.75Å; N226-D367 PolarHBondContact ND2-OD1 2.8Å; N226-D367 PolarHBondContact ND2-OD2 3.36Å
227	L	95.5	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-50.5	177.3	-85.3	57.8	0	0	0	111.2	N206 I209 Y210 P222 T223 Y224 R229 L230 I231	N206-L227 HydrophobicContact CB-CD2 3.98Å; I209-L227 HydrophobicContact CB-CD2 4.49Å; I209-L227 HydrophobicContact CB-CG 3.93Å; I209-L227 HydrophobicContact CG2-CB 4.07Å; I209-L227 HydrophobicContact CG2-CD1 4.21Å; I209-L227 HydrophobicContact CG2-CG 3.6Å; Y210-L227 HydrophobicContact CD1-CD1 3.73Å; Y210-L227 HydrophobicContact CD1-CD2 4.45Å; Y210-L227 HydrophobicContact CD2-CD1 4.49Å; Y210-L227 HydrophobicContact CD2-CD2 3.81Å; Y210-L227 HydrophobicContact CE1-CD1 3.67Å; Y210-L227 HydrophobicContact CE1-CD2 4.16Å; Y210-L227 HydrophobicContact CE2-CD1 4.45Å; Y210-L227 HydrophobicContact CE2-CD2 3.49Å; Y210-L227 VanDerWaalsContact CE2-CD2 3.49Å; Y210-L227 HydrophobicContact CG-CD1 4.09Å; Y210-L227 HydrophobicContact CG-CD2 4.23Å; P222-L227 HydrophobicContact CB-CD1 4.06Å; T223-L227 WeakPolarHBondContact O-CD1 3.32Å; T223-L227 PolarHBondContact O-N 3.17Å; T223-L227 VanDerWaalsContact O-N 3.13Å; Y224-L227 HydrophobicContact CD1-CD2 4.23Å; Y224-L227 PolarHBondContact O-N 2.64Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.45Å; L227-L230 WeakPolarHBondContact O-CB 3.46Å; L227-L230 PolarHBondContact O-N 3.36Å; L227-I231 WeakPolarHBondContact O-CG1 3.35Å; L227-I231 PolarHBondContact O-N 3.17Å
228	N	96	Very high	94.5	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-27.2	-177.8	-66.4	-16.2	0	0	0	112.6	Q15 S19 Y224 I231 G232	Q15-N228 WeakPolarHBondContact CB-ND2 3.44Å; Q15-N228 PolarHBondContact O-ND2 2.84Å; S19-N228 VanDerWaalsContact OG-CB 3.28Å; S19-N228 WeakPolarHBondContact OG-CB 3.27Å; Y224-N228 VanDerWaalsContact O-CB 3.25Å; Y224-N228 WeakPolarHBondContact O-CB 3.22Å; Y224-N228 PolarHBondContact O-N 3.3Å; Y224-N228 PolarHBondContact O-ND2 3.45Å; N228-I231 PolarHBondContact O-N 2.79Å; N228-G232 PolarHBondContact O-N 2.77Å
229	R	95.4	Very high	94.6	Very high	61 Å²	61	33.8 Å²	33.8	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-38.8	170.5	-78.6	173.5	176.8	151.4	3.2	112.6	S225 N226 L227 G232 Q233 D367	S225-R229 WeakPolarHBondContact O-CB 3.46Å; S225-R229 VanDerWaalsContact O-CG 3.26Å; S225-R229 WeakPolarHBondContact O-CG 3.44Å; S225-R229 PolarHBondContact O-N 3.13Å; S225-R229 VanDerWaalsContact O-N 3.11Å; N226-R229 PolarHBondContact O-N 3.44Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.45Å; R229-G232 PolarHBondContact O-N 3.08Å; R229-Q233 PolarHBondContact O-N 2.95Å; R229-D367 IonicContact NH1-OD2 3.51Å; R229-D367 PolarHBondContact NH1-OD2 2.91Å
230	L	95.9	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67.2	-44	173.3	-76.7	177.9	0	0	0	111.6	I209 I212 C213 N226 L227 G232 Q233 I234 I275 L368	I209-L230 HydrophobicContact CG2-CB 4.28Å; I209-L230 HydrophobicContact CG2-CD1 3.62Å; I212-L230 HydrophobicContact CG2-CD1 4.18Å; C213-L230 WeakPolarHBondContact SG-CD1 3.36Å; N226-L230 PolarHBondContact O-N 2.75Å; L227-L230 WeakPolarHBondContact O-CB 3.46Å; L227-L230 PolarHBondContact O-N 3.36Å; L230-G232 VanDerWaalsContact C-N 3.25Å; L230-G232 PolarHBondContact O-N 3.17Å; L230-Q233 WeakPolarHBondContact O-CB 3.31Å; L230-Q233 PolarHBondContact O-N 3.22Å; L230-Q233 VanDerWaalsContact O-N 3.08Å; L230-I234 PolarHBondContact O-N 3.22Å; L230-I275 HydrophobicContact CD2-CD1 4.13Å; L230-I275 HydrophobicContact CD2-CG1 4.11Å; L230-I275 HydrophobicContact CD2-CG2 3.96Å; L230-L368 HydrophobicContact CD2-CD1 4.19Å; L230-L368 HydrophobicContact CD2-CD2 3.84Å; L230-L368 HydrophobicContact CD2-CG 4.45Å
231	I	96.8	Very high	94.5	Very high	3 Å²	3	27 Å²	27	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-41	174.1	-63.3	169.3	0	0	0	110.2	M16 V204 I209 L227 N228 Q233 I234 V235	M16-I231 HydrophobicContact CG-CD1 4.19Å; M16-I231 HydrophobicContact CG-CG2 4.4Å; M16-I231 HydrophobicContact SD-CD1 3.9Å; M16-I231 HydrophobicContact SD-CG2 4Å; V204-I231 HydrophobicContact CG1-CG1 4.5Å; V204-I231 HydrophobicContact CG2-CD1 4.04Å; V204-I231 HydrophobicContact CG2-CG1 4.46Å; I209-I231 HydrophobicContact CD1-CD1 4.01Å; I209-I231 HydrophobicContact CD1-CG1 3.89Å; L227-I231 WeakPolarHBondContact O-CG1 3.35Å; L227-I231 PolarHBondContact O-N 3.17Å; N228-I231 PolarHBondContact O-N 2.79Å; I231-Q233 VanDerWaalsContact C-N 3.27Å; I231-Q233 PolarHBondContact O-N 3.47Å; I231-I234 WeakPolarHBondContact O-CB 3.48Å; I231-I234 PolarHBondContact O-N 2.94Å; I231-V235 HydrophobicContact CG2-CG2 4.02Å; I231-V235 VanDerWaalsContact O-CG2 3.23Å; I231-V235 WeakPolarHBondContact O-CG2 2.97Å; I231-V235 PolarHBondContact O-N 3.42Å
232	G	96.8	Very high	94.3	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-56.2	-37.8	174.5	0	0	0	0	0	113.4	L23 N228 R229 L230 V235 S236	L23-G232 WeakPolarHBondContact CD2-O 3.36Å; N228-G232 PolarHBondContact O-N 2.77Å; R229-G232 PolarHBondContact O-N 3.08Å; L230-G232 VanDerWaalsContact C-N 3.25Å; L230-G232 PolarHBondContact O-N 3.17Å; G232-V235 PolarHBondContact O-N 3.26Å; G232-S236 VanDerWaalsContact O-CB 3.32Å; G232-S236 WeakPolarHBondContact O-CB 3.46Å; G232-S236 PolarHBondContact O-N 3.05Å
233	Q	96.9	Very high	94	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.037	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-38.6	175	-66	-60.3	-33.4	0	0	112.8	R229 L230 I231 S237 Y272 T361 L368	R229-Q233 PolarHBondContact O-N 2.95Å; L230-Q233 WeakPolarHBondContact O-CB 3.31Å; L230-Q233 PolarHBondContact O-N 3.22Å; L230-Q233 VanDerWaalsContact O-N 3.08Å; I231-Q233 VanDerWaalsContact C-N 3.27Å; I231-Q233 PolarHBondContact O-N 3.47Å; Q233-S237 WeakPolarHBondContact O-CB 3.46Å; Q233-S237 PolarHBondContact O-N 2.84Å; Q233-S237 PolarHBondContact O-OG 3Å; Q233-Y272 HydrophobicContact CB-CD2 4.24Å; Q233-Y272 HydrophobicContact CB-CE1 4.18Å; Q233-Y272 HydrophobicContact CB-CE2 3.83Å; Q233-Y272 PolarHBondContact OE1-OH 3.16Å; Q233-T361 PolarHBondContact NE2-O 3.12Å; Q233-L368 HydrophobicContact CG-CD1 3.71Å
234	I	96.1	Very high	93.7	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.015	7%	0.072	C	C	.	.	H	α-helix	trans	-61.7	-55.1	173.5	-65.4	164.6	0	0	0	109.1	V204 L230 I231 S236 S237 I238 T270 M302	V204-I234 HydrophobicContact CG1-CD1 4.32Å; L230-I234 PolarHBondContact O-N 3.22Å; I231-I234 WeakPolarHBondContact O-CB 3.48Å; I231-I234 PolarHBondContact O-N 2.94Å; I234-S236 VanDerWaalsContact C-N 3.3Å; I234-S236 PolarHBondContact O-N 3.31Å; I234-S237 CarbonylContact O-C 3.56Å; I234-S237 WeakPolarHBondContact O-CA 3.4Å; I234-S237 WeakPolarHBondContact O-CB 3.31Å; I234-S237 PolarHBondContact O-N 3.41Å; I234-I238 HydrophobicContact CG2-CD1 3.95Å; I234-I238 HydrophobicContact CG2-CG1 4.25Å; I234-I238 WeakPolarHBondContact O-CG1 3.44Å; I234-I238 PolarHBondContact O-N 3.13Å; I234-T270 HydrophobicContact CG2-CG2 4.18Å; I234-M302 HydrophobicContact CD1-CE 3.59Å; I234-M302 HydrophobicContact CD1-CG 4.48Å; I234-M302 HydrophobicContact CD1-SD 3.18Å; I234-M302 WeakPolarHBondContact CD1-SD 3.44Å; I234-M302 HydrophobicContact CG1-CE 4.12Å; I234-M302 HydrophobicContact CG1-SD 4.32Å
235	V	96.1	Very high	93.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.9	-45.6	-177.9	176	0	0	0	0	110.5	C20 Y24 F138 F169 I231 G232 S237 I238 T239	C20-V235 HydrophobicContact CB-CG1 4.43Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.02Å; F138-V235 HydrophobicContact CE1-CG1 3.95Å; F138-V235 HydrophobicContact CE1-CG2 3.7Å; F138-V235 HydrophobicContact CZ-CG1 3.79Å; F138-V235 HydrophobicContact CZ-CG2 4.34Å; F169-V235 HydrophobicContact CD1-CG2 3.55Å; F169-V235 HydrophobicContact CE1-CB 4.15Å; F169-V235 HydrophobicContact CE1-CG1 4.43Å; F169-V235 HydrophobicContact CE1-CG2 3.48Å; F169-V235 VanDerWaalsContact CE1-CG2 3.48Å; F169-V235 HydrophobicContact CG-CG2 4.14Å; F169-V235 HydrophobicContact CZ-CB 4.39Å; F169-V235 HydrophobicContact CZ-CG1 4.2Å; F169-V235 HydrophobicContact CZ-CG2 4.06Å; I231-V235 HydrophobicContact CG2-CG2 4.02Å; I231-V235 VanDerWaalsContact O-CG2 3.23Å; I231-V235 WeakPolarHBondContact O-CG2 2.97Å; I231-V235 PolarHBondContact O-N 3.42Å; G232-V235 PolarHBondContact O-N 3.26Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 3.46Å; V235-I238 PolarHBondContact O-N 2.87Å; V235-T239 WeakPolarHBondContact O-CG2 2.94Å; V235-T239 PolarHBondContact O-N 2.82Å; V235-T239 PolarHBondContact O-OG1 2.78Å; V235-T239 VanDerWaalsContact O-OG1 3.06Å
236	S	95	Very high	92.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.2	-38.3	174.2	172.6	0	0	0	0	112.8	E27 G232 I234 A240 R243 R320	E27-S236 PolarHBondContact OE1-OG 3.37Å; E27-S236 PolarHBondContact OE2-OG 3.39Å; G232-S236 VanDerWaalsContact O-CB 3.32Å; G232-S236 WeakPolarHBondContact O-CB 3.46Å; G232-S236 PolarHBondContact O-N 3.05Å; I234-S236 VanDerWaalsContact C-N 3.3Å; I234-S236 PolarHBondContact O-N 3.31Å; S236-A240 WeakPolarHBondContact O-CA 3.39Å; S236-A240 WeakPolarHBondContact O-CB 3.27Å; S236-A240 PolarHBondContact O-N 3.24Å; S236-R243 PolarHBondContact O-NH2 2.86Å; S236-R243 VanDerWaalsContact O-NH2 3.11Å; S236-R243 PolarHBondContact OG-NH2 2.86Å; S236-R320 PolarHBondContact O-NH1 3.27Å; S236-R320 PolarHBondContact OG-NH1 2.93Å; S236-R320 VanDerWaalsContact OG-NH1 3.09Å
237	S	94.9	Very high	91.8	Very high	4 Å²	4	13.2 Å²	13.2	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-69.6	-40.8	178.7	-58.6	0	0	0	0	112.2	Q233 I234 V235 A240	Q233-S237 WeakPolarHBondContact O-CB 3.46Å; Q233-S237 PolarHBondContact O-N 2.84Å; Q233-S237 PolarHBondContact O-OG 3Å; I234-S237 CarbonylContact O-C 3.56Å; I234-S237 WeakPolarHBondContact O-CA 3.4Å; I234-S237 WeakPolarHBondContact O-CB 3.31Å; I234-S237 PolarHBondContact O-N 3.41Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 3.46Å; S237-A240 WeakPolarHBondContact O-CB 3.31Å; S237-A240 PolarHBondContact O-N 3.25Å
238	I	93.6	Very high	90.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-42.6	175.6	-61.9	-170.3	0	0	0	111.1	F169 F202 I234 V235 F255 L318 L378	F169-I238 HydrophobicContact CE1-CD1 3.62Å; F169-I238 HydrophobicContact CZ-CB 4.36Å; F169-I238 HydrophobicContact CZ-CD1 3.99Å; F169-I238 HydrophobicContact CZ-CG2 4.28Å; F202-I238 HydrophobicContact CD1-CD1 4.22Å; F202-I238 HydrophobicContact CD2-CD1 3.68Å; F202-I238 HydrophobicContact CE1-CD1 4.28Å; F202-I238 HydrophobicContact CE2-CD1 3.73Å; F202-I238 HydrophobicContact CE2-CG2 4.17Å; F202-I238 HydrophobicContact CG-CD1 3.94Å; F202-I238 HydrophobicContact CZ-CD1 4.04Å; F202-I238 HydrophobicContact CZ-CG2 4.46Å; I234-I238 HydrophobicContact CG2-CD1 3.95Å; I234-I238 HydrophobicContact CG2-CG1 4.25Å; I234-I238 WeakPolarHBondContact O-CG1 3.44Å; I234-I238 PolarHBondContact O-N 3.13Å; V235-I238 PolarHBondContact O-N 2.87Å; I238-F255 HydrophobicContact CG2-CD2 4.35Å; I238-F255 HydrophobicContact CG2-CE2 3.6Å; I238-F255 HydrophobicContact CG2-CZ 3.72Å; I238-L318 HydrophobicContact CB-CD1 4.4Å; I238-L318 HydrophobicContact CG1-CD1 4.01Å; I238-L378 HydrophobicContact CD1-CD1 3.85Å; I238-L378 HydrophobicContact CD1-CD2 3.54Å; I238-L378 HydrophobicContact CD1-CG 4.28Å; I238-L378 HydrophobicContact CG1-CD1 4.02Å; I238-L378 HydrophobicContact CG1-CD2 4.1Å
239	T	92.7	Very high	89.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-89.5	-0.3	-177.1	66.6	0	0	0	0	114	Y24 F52 L136 V235 S241 L242 R243	Y24-T239 WeakPolarHBondContact OH-CB 3.45Å; Y24-T239 VanDerWaalsContact OH-CG2 3.23Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.32Å; Y24-T239 PolarHBondContact OH-OG1 3.15Å; F52-T239 HydrophobicContact CE1-CG2 4.39Å; F52-T239 HydrophobicContact CE2-CG2 4.29Å; F52-T239 HydrophobicContact CZ-CG2 3.62Å; L136-T239 HydrophobicContact CD1-CG2 3.71Å; V235-T239 WeakPolarHBondContact O-CG2 2.94Å; V235-T239 PolarHBondContact O-N 2.82Å; V235-T239 PolarHBondContact O-OG1 2.78Å; V235-T239 VanDerWaalsContact O-OG1 3.06Å; T239-S241 VanDerWaalsContact C-N 3.34Å; T239-S241 PolarHBondContact O-N 3.13Å; T239-L242 PolarHBondContact O-N 3.39Å; T239-R243 PolarHBondContact O-NE 3.04Å; T239-R243 PolarHBondContact OG1-NE 2.85Å; T239-R243 PolarHBondContact OG1-NH2 2.81Å
240	A	91.9	Very high	89	Confident	3 Å²	3	17.7 Å²	17.7	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-43.8	-174.6	0	0	0	0	0	112.5	S236 S237 L242 R243 F244 N356	S236-A240 WeakPolarHBondContact O-CA 3.39Å; S236-A240 WeakPolarHBondContact O-CB 3.27Å; S236-A240 PolarHBondContact O-N 3.24Å; S237-A240 WeakPolarHBondContact O-CB 3.31Å; S237-A240 PolarHBondContact O-N 3.25Å; A240-L242 PolarHBondContact O-N 3.18Å; A240-R243 PolarHBondContact O-N 2.95Å; A240-R243 VanDerWaalsContact O-N 3.09Å; A240-F244 PolarHBondContact O-N 3.06Å; A240-N356 HydrophobicContact CB-CB 4.15Å; A240-N356 PolarHBondContact O-ND2 2.92Å
241	S	89	Confident	88.3	Confident	16 Å²	16	18.9 Å²	18.9	11%	0.112	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-21.8	-177.3	51.6	0	0	0	0	113.6	T239 N249 V250	T239-S241 VanDerWaalsContact C-N 3.34Å; T239-S241 PolarHBondContact O-N 3.13Å; S241-N249 PolarHBondContact O-ND2 2.91Å; S241-V250 VanDerWaalsContact CB-O 3.31Å; S241-V250 WeakPolarHBondContact CB-O 3.35Å; S241-V250 PolarHBondContact OG-O 3.17Å
242	L	87.6	Confident	87.5	Confident	14 Å²	14	18.8 Å²	18.8	7%	0.073	11%	0.114	C	C	.	.	H	α-helix	trans	-85.3	-17.9	176	-57.9	178.1	0	0	0	113.2	T51 F52 T239 A240 L252	T51-L242 HydrophobicContact CG2-CB 3.7Å; T51-L242 HydrophobicContact CG2-CD1 4.22Å; T51-L242 PolarHBondContact OG1-O 3.41Å; F52-L242 HydrophobicContact CE2-CB 4.41Å; F52-L242 HydrophobicContact CE2-CD1 4.23Å; F52-L242 HydrophobicContact CZ-CD1 4.08Å; T239-L242 PolarHBondContact O-N 3.39Å; A240-L242 PolarHBondContact O-N 3.18Å; L242-L252 HydrophobicContact CD1-CD1 3.94Å; L242-L252 HydrophobicContact CD1-CD2 3.74Å; L242-L252 HydrophobicContact CD1-CG 3.71Å; L242-L252 HydrophobicContact CD2-CG 4.39Å; L242-L252 HydrophobicContact CG-CG 4.5Å
243	R	88.8	Confident	86.9	Confident	7 Å²	7	22.1 Å²	22.1	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-112	-39.2	-172	-63	-178.9	-61.4	121.9	-6.6	111.4	E27 H28 S48 F52 S236 T239 A240	E27-R243 IonicContact OE2-CZ 2.71Å; E27-R243 IonicContact OE2-NH1 2.64Å; E27-R243 PolarHBondContact OE2-NH1 3.08Å; E27-R243 IonicContact OE2-NH2 2.91Å; E27-R243 PolarHBondContact OE2-NH2 3.21Å; H28-R243 PolarHBondContact NE2-NH1 3.48Å; H28-R243 VanDerWaalsContact NE2-NH1 3.15Å; S48-R243 WeakPolarHBondContact CB-O 3.17Å; F52-R243 HydrophobicContact CD2-CG 3.6Å; F52-R243 HydrophobicContact CE2-CG 3.63Å; S236-R243 PolarHBondContact O-NH2 2.86Å; S236-R243 VanDerWaalsContact O-NH2 3.11Å; S236-R243 PolarHBondContact OG-NH2 2.86Å; T239-R243 PolarHBondContact O-NE 3.04Å; T239-R243 PolarHBondContact OG1-NE 2.85Å; T239-R243 PolarHBondContact OG1-NH2 2.81Å; A240-R243 PolarHBondContact O-N 2.95Å; A240-R243 VanDerWaalsContact O-N 3.09Å
244	F	87.6	Confident	86.4	Confident	28 Å²	28	24.4 Å²	24.4	12%	0.123	14%	0.142	C	C	.	.	S	Bend	trans	-121.7	149.6	-174.6	-53	-63.8	0	0	0	111.3	E27 H28 A240 N356 Q358	E27-F244 HydrophobicContact CB-CE2 4.43Å; E27-F244 HydrophobicContact CB-CZ 3.94Å; H28-F244 AromaticContact CE1-CE1 3.52Å; H28-F244 AromaticContact CE1-CZ 3.52Å; H28-F244 AromaticContact ND1-CE1 3.9Å; H28-F244 AromaticContact NE2-CZ 3.72Å; A240-F244 PolarHBondContact O-N 3.06Å; F244-N356 WeakPolarHBondContact CB-ND2 3.48Å; F244-N356 WeakPolarHBondContact CB-OD1 3.34Å; F244-N356 PolarHBondContact O-ND2 3.22Å; F244-Q358 HydrophobicContact CB-CB 4.26Å; F244-Q358 HydrophobicContact CD2-CB 4.13Å; F244-Q358 HydrophobicContact CD2-CG 4.27Å; F244-Q358 HydrophobicContact CE2-CG 4.34Å; F244-Q358 HydrophobicContact CG-CB 4.07Å; F244-Q358 HydrophobicContact CG-CG 4.38Å
245	S	82.2	Confident	86.1	Confident	72 Å²	72	24.3 Å²	24.3	50%	0.503	14%	0.142	S	C	.	.			trans	-66	145.1	173.9	-52.6	0	0	0	0	111
246	G	80.8	Confident	85.7	Confident	22 Å²	22	27.7 Å²	27.7	23%	0.227	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	171.3	-178.2	0	0	0	0	0	111.4	N249 I355	G246-N249 WeakPolarHBondContact CA-OD1 3.42Å; G246-I355 CarbonylContact C-O 3.59Å; G246-I355 WeakPolarHBondContact CA-O 3.41Å
247	A	77.9	Confident	85.4	Confident	25 Å²	25	32.4 Å²	32.4	21%	0.207	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	143.9	166	0	0	0	0	0	109.2	N249 I355	A247-N249 VanDerWaalsContact C-N 3.3Å; A247-N249 PolarHBondContact O-N 3.36Å; A247-I355 HydrophobicContact CB-CB 4.45Å; A247-I355 PolarHBondContact N-O 2.88Å; A247-I355 CarbonylContact O-C 3.44Å; A247-I355 PolarHBondContact O-N 2.83Å
248	L	77.1	Confident	85.1	Confident	104 Å²	104	34.9 Å²	34.9	55%	0.545	20%	0.2	S	C	.	.	S	Bend	trans	58.6	40.3	178.2	-50.1	169	0	0	0	112.8	V250 V353 G354	L248-V250 PolarHBondContact O-N 3.04Å; L248-V353 VanDerWaalsContact CB-O 3.27Å; L248-V353 WeakPolarHBondContact CB-O 3.47Å; L248-V353 HydrophobicContact CD1-CB 4.25Å; L248-V353 HydrophobicContact CD1-CG1 4.06Å; L248-G354 WeakPolarHBondContact O-CA 3.45Å
249	N	75	Confident	85	Confident	60 Å²	60	35 Å²	35	32%	0.321	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-55.9	124.9	178.6	-82	-6.3	0	0	0	111	S241 G246 A247	S241-N249 PolarHBondContact O-ND2 2.91Å; G246-N249 WeakPolarHBondContact CA-OD1 3.42Å; A247-N249 VanDerWaalsContact C-N 3.3Å; A247-N249 PolarHBondContact O-N 3.36Å
250	V	76.6	Confident	85	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-90.1	125.5	176.5	-179	0	0	0	0	108.7	S241 L248 E254 F255 L318 K352	S241-V250 VanDerWaalsContact CB-O 3.31Å; S241-V250 WeakPolarHBondContact CB-O 3.35Å; S241-V250 PolarHBondContact OG-O 3.17Å; L248-V250 PolarHBondContact O-N 3.04Å; V250-E254 HydrophobicContact CG1-CB 3.75Å; V250-F255 HydrophobicContact CB-CZ 4.41Å; V250-F255 HydrophobicContact CG1-CD1 4.17Å; V250-F255 HydrophobicContact CG1-CE1 3.82Å; V250-F255 HydrophobicContact CG1-CE2 4.25Å; V250-F255 HydrophobicContact CG1-CZ 3.86Å; V250-L318 HydrophobicContact CG2-CD2 4.16Å; V250-K352 HydrophobicContact CG2-CG 4.33Å
251	D	80.5	Confident	85	Confident	26 Å²	26	38.1 Å²	38.1	14%	0.139	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-80.1	163.5	172.8	-160.9	24.3	0	0	0	112.1	R2 Q133 N253 E254	R2-D251 IonicContact NH1-OD1 2.85Å; R2-D251 PolarHBondContact NH1-OD1 2.99Å; Q133-D251 PolarHBondContact NE2-OD1 2.78Å; Q133-D251 PolarHBondContact OE1-OD1 2.94Å; D251-N253 VanDerWaalsContact C-N 3.34Å; D251-N253 PolarHBondContact O-N 2.75Å; D251-E254 HydrophobicContact CB-CG 4.22Å; D251-E254 PolarHBondContact N-OE1 3.4Å; D251-E254 VanDerWaalsContact O-CB 3.31Å; D251-E254 WeakPolarHBondContact O-CB 3.22Å; D251-E254 PolarHBondContact O-N 2.91Å
252	L	80.8	Confident	85.1	Confident	1 Å²	1	43 Å²	43	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-42.3	-179.7	-68.4	-174.3	0	0	0	113.2	C4 Q133 L136 L167 L242 E254 F255	C4-L252 WeakPolarHBondContact SG-CD1 3.38Å; Q133-L252 HydrophobicContact CB-CD1 4.4Å; L136-L252 HydrophobicContact CD2-CD1 4.35Å; L167-L252 HydrophobicContact CD1-CB 4.11Å; L167-L252 HydrophobicContact CD1-CD1 4.48Å; L167-L252 HydrophobicContact CD1-CD2 3.68Å; L167-L252 HydrophobicContact CD1-CG 4.29Å; L242-L252 HydrophobicContact CD1-CD1 3.94Å; L242-L252 HydrophobicContact CD1-CD2 3.74Å; L242-L252 HydrophobicContact CD1-CG 3.71Å; L242-L252 HydrophobicContact CD2-CG 4.39Å; L242-L252 HydrophobicContact CG-CG 4.5Å; L252-E254 PolarHBondContact O-N 3.04Å; L252-F255 HydrophobicContact CD2-CD2 4.3Å; L252-F255 HydrophobicContact CD2-CE2 4.15Å; L252-F255 PolarHBondContact O-N 3.22Å; L252-F255 VanDerWaalsContact O-N 3.13Å
253	N	84.2	Confident	85.3	Confident	70 Å²	70	47.7 Å²	47.7	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-24.5	177.5	-61.5	-39.3	0	0	0	112.1	D251 F255 Q256 T257	D251-N253 VanDerWaalsContact C-N 3.34Å; D251-N253 PolarHBondContact O-N 2.75Å; N253-F255 VanDerWaalsContact C-N 3.26Å; N253-F255 PolarHBondContact O-N 2.73Å; N253-Q256 PolarHBondContact O-N 3.16Å; N253-T257 PolarHBondContact O-N 3.01Å
254	E	87	Confident	85.6	Confident	56 Å²	56	50.9 Å²	50.9	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-70.6	-22.5	177.5	-77.6	-172.4	-128.4	0	0	112.3	V250 D251 L252 T257 N258 K352	V250-E254 HydrophobicContact CG1-CB 3.75Å; D251-E254 HydrophobicContact CB-CG 4.22Å; D251-E254 PolarHBondContact N-OE1 3.4Å; D251-E254 VanDerWaalsContact O-CB 3.31Å; D251-E254 WeakPolarHBondContact O-CB 3.22Å; D251-E254 PolarHBondContact O-N 2.91Å; L252-E254 PolarHBondContact O-N 3.04Å; E254-T257 WeakPolarHBondContact CA-OG1 3.43Å; E254-T257 PolarHBondContact O-OG1 3.35Å; E254-N258 WeakPolarHBondContact O-CB 3.36Å; E254-N258 PolarHBondContact O-N 3.36Å; E254-N258 PolarHBondContact O-ND2 3.28Å; E254-K352 VanDerWaalsContact OE2-CE 3.24Å; E254-K352 WeakPolarHBondContact OE2-CE 3.46Å; E254-K352 IonicContact OE2-NZ 3.2Å; E254-K352 PolarHBondContact OE2-NZ 2.73Å
255	F	88.6	Confident	85.9	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-45.8	174.2	-70.6	-61.9	0	0	0	110.9	L167 F202 I238 V250 L252 N253 N258 L259 L318 L378	L167-F255 HydrophobicContact CD1-CD2 4.25Å; F202-F255 HydrophobicContact CZ-CB 4.29Å; F202-F255 HydrophobicContact CZ-CD1 4.43Å; F202-F255 HydrophobicContact CZ-CD2 4.49Å; F202-F255 HydrophobicContact CZ-CG 4.16Å; I238-F255 HydrophobicContact CG2-CD2 4.35Å; I238-F255 HydrophobicContact CG2-CE2 3.6Å; I238-F255 HydrophobicContact CG2-CZ 3.72Å; V250-F255 HydrophobicContact CB-CZ 4.41Å; V250-F255 HydrophobicContact CG1-CD1 4.17Å; V250-F255 HydrophobicContact CG1-CE1 3.82Å; V250-F255 HydrophobicContact CG1-CE2 4.25Å; V250-F255 HydrophobicContact CG1-CZ 3.86Å; L252-F255 HydrophobicContact CD2-CD2 4.3Å; L252-F255 HydrophobicContact CD2-CE2 4.15Å; L252-F255 PolarHBondContact O-N 3.22Å; L252-F255 VanDerWaalsContact O-N 3.13Å; N253-F255 VanDerWaalsContact C-N 3.26Å; N253-F255 PolarHBondContact O-N 2.73Å; F255-N258 PolarHBondContact O-N 2.88Å; F255-L259 HydrophobicContact CB-CD1 4.36Å; F255-L259 HydrophobicContact CD1-CD1 3.91Å; F255-L259 WeakPolarHBondContact O-CB 3.22Å; F255-L259 PolarHBondContact O-N 3Å; F255-L318 HydrophobicContact CE1-CD1 4.05Å; F255-L318 HydrophobicContact CE1-CD2 4.33Å; F255-L318 HydrophobicContact CZ-CD1 4.04Å; F255-L318 HydrophobicContact CZ-CD2 4.46Å; F255-L378 HydrophobicContact CD1-CD1 3.75Å; F255-L378 HydrophobicContact CE1-CD1 3.48Å; F255-L378 VanDerWaalsContact CE1-CD1 3.48Å; F255-L378 HydrophobicContact CZ-CD1 4.31Å
256	Q	88.1	Confident	86.6	Confident	71 Å²	71	46.3 Å²	46.3	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-57.9	-56	174.4	-176.5	-178.2	31.9	0	0	110.6	D199 N253 N258 V260	D199-Q256 HydrophobicContact CB-CB 4.49Å; D199-Q256 HydrophobicContact CB-CG 4.38Å; D199-Q256 PolarHBondContact OD1-NE2 3.01Å; N253-Q256 PolarHBondContact O-N 3.16Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.78Å; Q256-V260 WeakPolarHBondContact O-CA 3.23Å; Q256-V260 VanDerWaalsContact O-CB 3.22Å; Q256-V260 WeakPolarHBondContact O-CB 3.44Å; Q256-V260 PolarHBondContact O-N 2.76Å
257	T	88.6	Confident	87.3	Confident	100 Å²	100	45.2 Å²	45.2	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-65.3	-28.6	-175	63.1	0	0	0	0	114	N253 E254	N253-T257 PolarHBondContact O-N 3.01Å; E254-T257 WeakPolarHBondContact CA-OG1 3.43Å; E254-T257 PolarHBondContact O-OG1 3.35Å
258	N	89.1	Confident	88.2	Confident	55 Å²	55	44 Å²	44	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-95.9	-28.4	-175.7	-62.6	-36.1	0	0	0	113.4	E254 F255 Q256 A314 K352	E254-N258 WeakPolarHBondContact O-CB 3.36Å; E254-N258 PolarHBondContact O-N 3.36Å; E254-N258 PolarHBondContact O-ND2 3.28Å; F255-N258 PolarHBondContact O-N 2.88Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.78Å; N258-A314 WeakPolarHBondContact O-CB 3.26Å; N258-K352 HydrophobicContact CB-CB 4.45Å; N258-K352 HydrophobicContact CB-CG 4.49Å
259	L	91.8	Very high	89.1	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-104.1	-22.5	-176.4	-65.2	171.3	0	0	0	113.3	F202 F255 P261 P268 A314 C316 L378 N380	F202-L259 HydrophobicContact CE1-CD1 4.14Å; F255-L259 HydrophobicContact CB-CD1 4.36Å; F255-L259 HydrophobicContact CD1-CD1 3.91Å; F255-L259 WeakPolarHBondContact O-CB 3.22Å; F255-L259 PolarHBondContact O-N 3Å; L259-P261 VanDerWaalsContact O-CD 3.26Å; L259-P261 WeakPolarHBondContact O-CD 3.13Å; L259-P268 HydrophobicContact CB-CG 4.09Å; L259-P268 HydrophobicContact CD1-CB 4.49Å; L259-P268 HydrophobicContact CD1-CG 4.09Å; L259-A314 HydrophobicContact CD2-CB 4.13Å; L259-C316 HydrophobicContact CD1-CB 4.32Å; L259-C316 HydrophobicContact CD2-CB 3.78Å; L259-C316 HydrophobicContact CG-CB 4.29Å; L259-L378 HydrophobicContact CD1-CB 3.76Å; L259-L378 HydrophobicContact CD1-CD1 4.02Å; L259-L378 HydrophobicContact CD2-CB 4.42Å; L259-L378 WeakPolarHBondContact CD2-O 3.2Å; L259-N380 VanDerWaalsContact O-CB 3.25Å; L259-N380 WeakPolarHBondContact O-CB 3.48Å; L259-N380 PolarHBondContact O-ND2 3.22Å
260	V	92.9	Very high	90.1	Very high	20 Å²	20	36.3 Å²	36.3	12%	0.121	19%	0.189	C	C	.	.			trans	-111.8	95.6	-169.7	-175.6	0	0	0	0	109.7	C200 Q256 Y262 H266	C200-V260 HydrophobicContact CB-CG2 4.39Å; Q256-V260 WeakPolarHBondContact O-CA 3.23Å; Q256-V260 VanDerWaalsContact O-CB 3.22Å; Q256-V260 WeakPolarHBondContact O-CB 3.44Å; Q256-V260 PolarHBondContact O-N 2.76Å; V260-Y262 WeakPolarHBondContact CG1-O 3.31Å; V260-H266 HydrophobicContact CB-CB 4.44Å; V260-H266 HydrophobicContact CG1-CB 3.71Å; V260-H266 HydrophobicContact CG2-CB 3.83Å
261	P	90.6	Very high	91.1	Very high	49 Å²	49	36.2 Å²	36.2	32%	0.318	19%	0.189	S	C	.	.	S	Bend	trans	-71.3	-33.5	179.5	27.8	-33.5	0	0	0	112.4	L259 I265 M313 W346	L259-P261 VanDerWaalsContact O-CD 3.26Å; L259-P261 WeakPolarHBondContact O-CD 3.13Å; P261-I265 HydrophobicContact CG-CG2 4.46Å; P261-M313 HydrophobicContact CG-SD 3.95Å; P261-W346 HydrophobicContact CB-CH2 3.79Å; P261-W346 HydrophobicContact CB-CZ3 4.28Å; P261-W346 HydrophobicContact CG-CH2 4.14Å
262	Y	92.1	Very high	91.9	Very high	120 Å²	120	35.3 Å²	35.3	47%	0.471	18%	0.184	S	C	.	.	S	Bend	trans	-132.6	139.8	178.2	-58.8	-80	0	0	0	109.1	V260 R264 I265 V435	V260-Y262 WeakPolarHBondContact CG1-O 3.31Å; Y262-R264 PolarHBondContact O-N 3.33Å; Y262-I265 HydrophobicContact CD2-CD1 3.94Å; Y262-I265 CarbonylContact O-C 3.59Å; Y262-I265 PolarHBondContact O-N 2.81Å; Y262-V435 HydrophobicContact CD2-CG2 4.17Å; Y262-V435 HydrophobicContact CE2-CG2 3.83Å
263	P	91.7	Very high	92.7	Very high	112 Å²	112	35.4 Å²	35.4	73%	0.727	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.6	-175.4	-30.2	35.8	0	0	0	114.7	H266	P263-H266 PolarHBondContact O-ND1 2.98Å
264	R	94	Very high	93.2	Very high	74 Å²	74	32.7 Å²	32.7	28%	0.279	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.5	178.3	-66.9	173.8	61.7	88.9	3.4	113.5	L195 Y262 H266 D424 L428 D431	L195-R264 HydrophobicContact CD2-CG 4.14Å; L195-R264 VanDerWaalsContact CD2-CZ 3.5Å; L195-R264 HydrophobicContact CG-CG 4.48Å; Y262-R264 PolarHBondContact O-N 3.33Å; R264-H266 PolarHBondContact O-N 2.89Å; R264-D424 IonicContact CZ-OD1 3.42Å; R264-D424 IonicContact NH1-OD1 3.17Å; R264-D424 PolarHBondContact NH1-OD1 2.86Å; R264-D424 PolarHBondContact NH2-O 3.36Å; R264-D424 VanDerWaalsContact NH2-O 3.13Å; R264-D424 IonicContact NH2-OD1 2.73Å; R264-D424 PolarHBondContact NH2-OD1 3.2Å; R264-L428 HydrophobicContact CB-CD1 4.1Å; R264-L428 WeakPolarHBondContact O-CD1 3.35Å; R264-D431 IonicContact CZ-OD2 2.72Å; R264-D431 IonicContact NE-OD2 2.73Å; R264-D431 PolarHBondContact NE-OD2 3.02Å; R264-D431 IonicContact NH2-OD2 3.2Å
265	I	94.8	Very high	93.6	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	16%	0.162	C	C	.	.			trans	-96.6	64.4	-176.1	-58	-178.1	0	0	0	109	P261 Y262 M313 N380 D431 Y432 V435	P261-I265 HydrophobicContact CG-CG2 4.46Å; Y262-I265 HydrophobicContact CD2-CD1 3.94Å; Y262-I265 CarbonylContact O-C 3.59Å; Y262-I265 PolarHBondContact O-N 2.81Å; I265-M313 HydrophobicContact CG2-CE 3.7Å; I265-M313 HydrophobicContact CG2-SD 3.82Å; I265-N380 PolarHBondContact O-ND2 3.5Å; I265-D431 HydrophobicContact CD1-CB 4.13Å; I265-D431 HydrophobicContact CG1-CB 4.32Å; I265-Y432 HydrophobicContact CB-CE1 4.29Å; I265-Y432 HydrophobicContact CG1-CE1 4.48Å; I265-Y432 HydrophobicContact CG2-CD1 3.94Å; I265-Y432 HydrophobicContact CG2-CE1 3.26Å; I265-Y432 HydrophobicContact CG2-CE2 4.48Å; I265-V435 HydrophobicContact CD1-CB 4.42Å; I265-V435 HydrophobicContact CD1-CG2 3.66Å
266	H	95.8	Very high	93.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.			trans	-117.7	28.3	-172.4	66.2	-103.7	0	0	0	114.3	L195 A201 V260 P263 R264 P268	L195-H266 PolarHBondContact O-CE1 2.81Å; A201-H266 PolarHBondContact N-O 2.92Å; V260-H266 HydrophobicContact CB-CB 4.44Å; V260-H266 HydrophobicContact CG1-CB 3.71Å; V260-H266 HydrophobicContact CG2-CB 3.83Å; P263-H266 PolarHBondContact O-ND1 2.98Å; R264-H266 PolarHBondContact O-N 2.89Å; H266-P268 WeakPolarHBondContact O-CD 3.27Å
267	F	97	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.			trans	-110.7	65.6	-176.2	-58.1	-86.5	0	0	0	114	F141 T191 L195 A201 M203 W388 L428	F141-F267 HydrophobicContact CZ-CE1 4.28Å; T191-F267 HydrophobicContact CG2-CE1 4.45Å; T191-F267 HydrophobicContact CG2-CZ 3.92Å; L195-F267 HydrophobicContact CD1-CE2 3.81Å; L195-F267 HydrophobicContact CD1-CZ 3.88Å; A201-F267 HydrophobicContact CB-CD1 3.77Å; A201-F267 HydrophobicContact CB-CE1 4.02Å; A201-F267 WeakPolarHBondContact O-CA 3.22Å; M203-F267 HydrophobicContact CE-CD1 4.12Å; M203-F267 HydrophobicContact CG-CB 4.04Å; M203-F267 HydrophobicContact CG-CD1 4.39Å; M203-F267 HydrophobicContact SD-CD1 3.82Å; F267-W388 HydrophobicContact CB-CZ2 3.9Å; F267-W388 AromaticContact CD1-CH2 3.86Å; F267-W388 HydrophobicContact CD1-CH2 3.86Å; F267-W388 AromaticContact CD1-CZ2 3.97Å; F267-W388 HydrophobicContact CD1-CZ2 3.97Å; F267-W388 HydrophobicContact CD2-CH2 4.43Å; F267-W388 AromaticContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CE1-CH2 4.12Å; F267-W388 HydrophobicContact CE1-CZ2 4.48Å; F267-W388 HydrophobicContact CE2-CZ2 4.38Å; F267-W388 HydrophobicContact CG-CH2 4.02Å; F267-W388 AromaticContact CG-CZ2 3.63Å; F267-W388 HydrophobicContact CG-CZ2 3.63Å; F267-L428 HydrophobicContact CD2-CD2 4.29Å; F267-L428 HydrophobicContact CE2-CD2 3.72Å; F267-L428 HydrophobicContact CZ-CD2 4.44Å
268	P	96.4	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.			trans	-59.6	140	176.5	-24.2	33.6	0	0	0	113.7	C200 A201 F202 M203 L259 H266 S379 N380	C200-P268 VanDerWaalsContact SG-CD 3.56Å; C200-P268 VanDerWaalsContact SG-CG 3.59Å; A201-P268 WeakPolarHBondContact O-CD 3.47Å; F202-P268 HydrophobicContact CD1-CB 4.32Å; F202-P268 HydrophobicContact CD1-CG 4.49Å; F202-P268 HydrophobicContact CE1-CG 4.49Å; M203-P268 PolarHBondContact N-O 2.99Å; L259-P268 HydrophobicContact CB-CG 4.09Å; L259-P268 HydrophobicContact CD1-CB 4.49Å; L259-P268 HydrophobicContact CD1-CG 4.09Å; H266-P268 WeakPolarHBondContact O-CD 3.27Å; P268-S379 WeakPolarHBondContact CA-O 3.37Å; P268-N380 HydrophobicContact CG-CB 4.46Å
269	L	96	Very high	93.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	148.6	166.6	-52.7	-172.4	0	0	0	110.4	V303 C305 L378 S379 T381 I384	L269-V303 HydrophobicContact CD2-CB 3.89Å; L269-V303 HydrophobicContact CD2-CG1 4.18Å; L269-V303 HydrophobicContact CD2-CG2 3.92Å; L269-C305 WeakPolarHBondContact CD1-SG 3.28Å; L269-L378 WeakPolarHBondContact O-CA 3.19Å; L269-S379 PolarHBondContact N-O 3.48Å; L269-S379 PolarHBondContact O-N 3.06Å; L269-T381 HydrophobicContact CD1-CG2 3.32Å; L269-T381 HydrophobicContact CG-CG2 3.68Å; L269-I384 HydrophobicContact CD2-CB 4.34Å; L269-I384 HydrophobicContact CD2-CD1 3.59Å; L269-I384 HydrophobicContact CD2-CG1 4.36Å
270	T	96.6	Very high	93	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.6	175.6	61.1	0	0	0	0	111	F202 M203 V204 I234 M302 L378	F202-T270 HydrophobicContact CB-CG2 3.8Å; M203-T270 PolarHBondContact O-OG1 3.07Å; V204-T270 WeakPolarHBondContact CG1-OG1 3.38Å; I234-T270 HydrophobicContact CG2-CG2 4.18Å; T270-M302 WeakPolarHBondContact O-CB 3.17Å; T270-M302 WeakPolarHBondContact O-CG 3.43Å; T270-M302 PolarHBondContact O-N 2.96Å; T270-L378 HydrophobicContact CG2-CD2 3.85Å
271	T	97.5	Very high	92.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.9	172.2	-60.6	0	0	0	0	109.6	C295 N300 Q301 C376 M377	T271-C295 HydrophobicContact CG2-CB 4.04Å; T271-C295 WeakPolarHBondContact CG2-O 3.29Å; T271-N300 HydrophobicContact CG2-CB 3.99Å; T271-N300 WeakPolarHBondContact CG2-O 3.37Å; T271-Q301 VanDerWaalsContact OG1-CD 3.26Å; T271-Q301 PolarHBondContact OG1-NE2 3.44Å; T271-Q301 PolarHBondContact OG1-OE1 2.57Å; T271-C376 CarbonylContact O-C 3.5Å; T271-C376 WeakPolarHBondContact O-CA 3.34Å; T271-M377 PolarHBondContact N-O 2.89Å; T271-M377 PolarHBondContact O-N 2.97Å
272	Y	97.4	Very high	91.9	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.4	178.3	-169.1	-93.9	0	0	0	110.9	Q233 I275 P360 A374 C376	Q233-Y272 HydrophobicContact CB-CD2 4.24Å; Q233-Y272 HydrophobicContact CB-CE1 4.18Å; Q233-Y272 HydrophobicContact CB-CE2 3.83Å; Q233-Y272 PolarHBondContact OE1-OH 3.16Å; Y272-I275 HydrophobicContact CD1-CG1 3.92Å; Y272-I275 WeakPolarHBondContact O-CD1 3.47Å; Y272-I275 WeakPolarHBondContact O-CG1 3.44Å; Y272-P360 WeakPolarHBondContact OH-CB 3.32Å; Y272-P360 WeakPolarHBondContact OH-CG 3.35Å; Y272-A374 HydrophobicContact CE1-CB 4.15Å; Y272-A374 HydrophobicContact CE2-CB 4.27Å; Y272-A374 VanDerWaalsContact OH-CB 3.31Å; Y272-A374 WeakPolarHBondContact OH-CB 3.44Å; Y272-C376 HydrophobicContact CD2-CB 3.99Å; Y272-C376 HydrophobicContact CE2-CB 4.46Å
273	A	96.9	Very high	91.3	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.4	175.2	0	0	0	0	0	111.9	I291 A374 V375	A273-I291 HydrophobicContact CB-CB 4.25Å; A273-I291 VanDerWaalsContact CB-O 3.31Å; A273-I291 WeakPolarHBondContact CB-O 3.39Å; A273-A374 CarbonylContact O-C 3.56Å; A273-A374 VanDerWaalsContact O-CA 3.25Å; A273-A374 WeakPolarHBondContact O-CA 3.38Å; A273-A374 WeakPolarHBondContact O-CB 3.45Å; A273-V375 HydrophobicContact CB-CG1 4.17Å; A273-V375 PolarHBondContact N-O 2.61Å; A273-V375 PolarHBondContact O-N 3.18Å
274	P	95.5	Very high	90.7	Very high	14 Å²	14	42.3 Å²	42.3	9%	0.091	21%	0.208	C	C	.	.			cis	-79	151.7	-4.8	34	-33.6	0	0	0	111.3	I276 L286 I291 V371	P274-I276 HydrophobicContact CB-CG2 4.37Å; P274-I276 HydrophobicContact CG-CG2 4.46Å; P274-L286 HydrophobicContact CB-CD2 3.76Å; P274-L286 HydrophobicContact CG-CD1 3.96Å; P274-L286 HydrophobicContact CG-CD2 3.95Å; P274-L286 HydrophobicContact CG-CG 4.48Å; P274-I291 HydrophobicContact CB-CG2 4.44Å; P274-I291 HydrophobicContact CG-CG2 4.36Å; P274-V371 HydrophobicContact CG-CG1 4.03Å
275	I	94.6	Very high	89.9	Confident	14 Å²	14	46.7 Å²	46.7	7%	0.072	23%	0.231	C	C	.	.			trans	-110.9	103.7	165	-62.7	173.3	0	0	0	105.2	I212 N216 L217 L230 Y272 M302 L368	I212-I275 HydrophobicContact CG2-CB 4.37Å; I212-I275 HydrophobicContact CG2-CD1 3.43Å; I212-I275 VanDerWaalsContact CG2-CD1 3.43Å; I212-I275 HydrophobicContact CG2-CG1 4.47Å; I212-I275 HydrophobicContact CG2-CG2 3.87Å; N216-I275 HydrophobicContact CB-CB 4.42Å; N216-I275 HydrophobicContact CB-CG2 3.99Å; N216-I275 WeakPolarHBondContact CB-O 3.47Å; L217-I275 HydrophobicContact CD1-CG2 4.31Å; L217-I275 HydrophobicContact CD2-CG2 3.68Å; L217-I275 HydrophobicContact CG-CG2 3.91Å; L230-I275 HydrophobicContact CD2-CD1 4.13Å; L230-I275 HydrophobicContact CD2-CG1 4.11Å; L230-I275 HydrophobicContact CD2-CG2 3.96Å; Y272-I275 HydrophobicContact CD1-CG1 3.92Å; Y272-I275 WeakPolarHBondContact O-CD1 3.47Å; Y272-I275 WeakPolarHBondContact O-CG1 3.44Å; I275-M302 HydrophobicContact CD1-CE 3.96Å; I275-L368 HydrophobicContact CG2-CD2 4.35Å
276	I	92.5	Very high	89.6	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	24%	0.239	C	C	.	.			trans	-141.7	140.6	-171.3	-169.4	167.7	0	0	0	110.5	P274 K280 A281 E284 A369 V371	P274-I276 HydrophobicContact CB-CG2 4.37Å; P274-I276 HydrophobicContact CG-CG2 4.46Å; I276-K280 HydrophobicContact CD1-CB 3.91Å; I276-K280 HydrophobicContact CG1-CB 3.63Å; I276-A281 HydrophobicContact CD1-CB 4.43Å; I276-E284 HydrophobicContact CD1-CB 4.06Å; I276-E284 VanDerWaalsContact CD1-CD 3.47Å; I276-E284 HydrophobicContact CD1-CG 4Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.47Å; I276-A369 HydrophobicContact CG2-CB 3.89Å; I276-A369 PolarHBondContact O-N 3.17Å; I276-V371 HydrophobicContact CG2-CG1 4.08Å
277	S	90.4	Very high	89.6	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.063	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-74	155.2	176	67.1	0	0	0	0	111.5	E279 K280 A281	S277-E279 PolarHBondContact O-N 3.42Å; S277-E279 VanDerWaalsContact O-N 3.15Å; S277-K280 PolarHBondContact O-N 3.4Å; S277-K280 VanDerWaalsContact O-N 3.15Å; S277-K280 WeakPolarHBondContact OG-CG 3.47Å; S277-K280 PolarHBondContact OG-N 3.39Å; S277-A281 PolarHBondContact O-N 2.92Å
278	A	84.3	Confident	89.6	Confident	55 Å²	55	50.6 Å²	50.6	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.3	176.9	0	0	0	0	0	113.3
279	E	82	Confident	89.6	Confident	156 Å²	156	52.3 Å²	52.3	73%	0.729	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-41.1	179.1	-62	178.9	171.8	0	0	112.9	S277	S277-E279 PolarHBondContact O-N 3.42Å; S277-E279 VanDerWaalsContact O-N 3.15Å
280	K	84.2	Confident	89.5	Confident	69 Å²	69	56.1 Å²	56.1	30%	0.3	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-77.3	-23.4	-176.6	-71.1	178.3	-173.5	167.5	0	113	N216 T218 I276 S277 F282 H283	N216-K280 PolarHBondContact O-NZ 2.99Å; T218-K280 WeakPolarHBondContact OG1-CE 3.48Å; T218-K280 PolarHBondContact OG1-NZ 2.83Å; I276-K280 HydrophobicContact CD1-CB 3.91Å; I276-K280 HydrophobicContact CG1-CB 3.63Å; S277-K280 PolarHBondContact O-N 3.4Å; S277-K280 VanDerWaalsContact O-N 3.15Å; S277-K280 WeakPolarHBondContact OG-CG 3.47Å; S277-K280 PolarHBondContact OG-N 3.39Å; K280-F282 PolarHBondContact O-N 2.88Å; K280-H283 PolarHBondContact O-N 3.14Å
281	A	82.2	Confident	89.6	Confident	28 Å²	28	56.2 Å²	56.2	23%	0.231	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.6	-173.7	0	0	0	0	0	115.4	I276 S277 H283 A369	I276-A281 HydrophobicContact CD1-CB 4.43Å; S277-A281 PolarHBondContact O-N 2.92Å; A281-H283 VanDerWaalsContact C-N 3.28Å; A281-H283 PolarHBondContact O-N 3.45Å; A281-A369 HydrophobicContact CB-CB 3.4Å
282	F	78.2	Confident	89.6	Confident	183 Å²	183	56.2 Å²	56.2	80%	0.803	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-77.5	-11.4	177.8	-62.2	-77.1	0	0	0	114.1	K280	K280-F282 PolarHBondContact O-N 2.88Å
283	H	79.4	Confident	89.5	Confident	162 Å²	162	57 Å²	57	75%	0.75	29%	0.291	S	S	*	.	S	Bend	trans	-111.6	-4.7	-171.5	-63	-56.9	0	0	0	114.2	K280 A281	K280-H283 PolarHBondContact O-N 3.14Å; A281-H283 VanDerWaalsContact C-N 3.28Å; A281-H283 PolarHBondContact O-N 3.45Å
284	E	79.3	Confident	89.4	Confident	106 Å²	106	58.9 Å²	58.9	50%	0.495	30%	0.304	S	S	.	.			trans	-114.8	137.3	-175.2	-66.7	-170.6	-164.2	0	0	111.9	I276 L286	I276-E284 HydrophobicContact CD1-CB 4.06Å; I276-E284 VanDerWaalsContact CD1-CD 3.47Å; I276-E284 HydrophobicContact CD1-CG 4Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.47Å; E284-L286 HydrophobicContact CB-CD2 4.38Å
285	Q	77.2	Confident	89.5	Confident	166 Å²	166	58.2 Å²	58.2	78%	0.776	30%	0.299	S	S	*	.			trans	-82.9	132.5	162.4	-70.7	-172.9	-4.4	0	0	108.2
286	L	88.7	Confident	89.6	Confident	32 Å²	32	58 Å²	58	17%	0.168	30%	0.298	C	S	.	.			trans	-117.3	65.3	-176.5	-62.2	172.4	0	0	0	108.8	P274 E284 I291 V371 R373	P274-L286 HydrophobicContact CB-CD2 3.76Å; P274-L286 HydrophobicContact CG-CD1 3.96Å; P274-L286 HydrophobicContact CG-CD2 3.95Å; P274-L286 HydrophobicContact CG-CG 4.48Å; E284-L286 HydrophobicContact CB-CD2 4.38Å; L286-I291 HydrophobicContact CB-CG2 4.41Å; L286-V371 HydrophobicContact CD1-CB 4.47Å; L286-V371 HydrophobicContact CD1-CG1 3.88Å; L286-R373 VanDerWaalsContact O-CD 3.24Å; L286-R373 WeakPolarHBondContact O-CD 3.45Å; L286-R373 PolarHBondContact O-NH1 3.42Å
287	S	94.9	Very high	89.7	Confident	43 Å²	43	61.9 Å²	61.9	30%	0.301	32%	0.316	S	S	.	.			trans	-70.6	157.9	175.9	70.3	0	0	0	0	111.4	S289 E290 I291	S287-S289 PolarHBondContact O-N 3.31Å; S287-E290 WeakPolarHBondContact CB-OE2 3.06Å; S287-E290 PolarHBondContact N-OE2 2.87Å; S287-E290 PolarHBondContact O-N 3.33Å; S287-E290 VanDerWaalsContact O-N 3.17Å; S287-E290 VanDerWaalsContact OG-CG 3.29Å; S287-E290 WeakPolarHBondContact OG-CG 3.32Å; S287-E290 PolarHBondContact OG-N 3.32Å; S287-E290 PolarHBondContact OG-OE2 2.88Å; S287-I291 WeakPolarHBondContact O-CG1 3.32Å; S287-I291 PolarHBondContact O-N 3.07Å; S287-I291 VanDerWaalsContact O-N 3.09Å
288	V	96.8	Very high	89.9	Confident	9 Å²	9	63 Å²	63	6%	0.055	32%	0.323	C	S	.	.	H	α-helix	trans	-55.9	-37.6	174.8	178.2	0	0	0	0	110.9	I291 T292 Y319 V323 D327 V328 A331	V288-I291 WeakPolarHBondContact O-CG1 3.19Å; V288-T292 VanDerWaalsContact O-CB 3.26Å; V288-T292 WeakPolarHBondContact O-CB 3.22Å; V288-T292 PolarHBondContact O-N 2.65Å; V288-T292 VanDerWaalsContact O-N 3.09Å; V288-T292 PolarHBondContact O-OG1 3.22Å; V288-Y319 HydrophobicContact CG1-CD1 4.49Å; V288-Y319 HydrophobicContact CG1-CE1 3.82Å; V288-V323 HydrophobicContact CG1-CG1 4.3Å; V288-V323 HydrophobicContact CG2-CB 4.43Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.19Å; V288-D327 HydrophobicContact CB-CB 3.96Å; V288-D327 HydrophobicContact CG1-CB 4.18Å; V288-D327 HydrophobicContact CG2-CB 4.04Å; V288-V328 HydrophobicContact CG1-CG2 3.94Å; V288-A331 HydrophobicContact CG1-CB 4.45Å
289	S	96.4	Very high	90.4	Very high	36 Å²	36	63 Å²	63	25%	0.252	32%	0.323	S	S	.	.	H	α-helix	trans	-67.9	-43.4	178.2	-169.6	0	0	0	0	112.4	S287 T292 N293	S287-S289 PolarHBondContact O-N 3.31Å; S289-T292 PolarHBondContact O-N 2.99Å; S289-N293 WeakPolarHBondContact O-CB 3.33Å; S289-N293 PolarHBondContact O-N 3.05Å; S289-N293 PolarHBondContact O-ND2 3.48Å; S289-N293 PolarHBondContact OG-ND2 3.13Å
290	E	95.3	Very high	91.1	Very high	81 Å²	81	56.3 Å²	56.3	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-45.9	-179.5	-73.8	157.2	150.5	0	0	112.4	S287 T292 N293 S294	S287-E290 WeakPolarHBondContact CB-OE2 3.06Å; S287-E290 PolarHBondContact N-OE2 2.87Å; S287-E290 PolarHBondContact O-N 3.33Å; S287-E290 VanDerWaalsContact O-N 3.17Å; S287-E290 VanDerWaalsContact OG-CG 3.29Å; S287-E290 WeakPolarHBondContact OG-CG 3.32Å; S287-E290 PolarHBondContact OG-N 3.32Å; S287-E290 PolarHBondContact OG-OE2 2.88Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 2.81Å; E290-N293 PolarHBondContact O-N 3.25Å; E290-S294 WeakPolarHBondContact O-CB 3.41Å; E290-S294 PolarHBondContact O-N 2.87Å; E290-S294 PolarHBondContact O-OG 3.47Å
291	I	96.9	Very high	91.6	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-37.4	178.6	67.7	-179.7	0	0	0	110.8	A273 P274 L286 S287 V288 S294 C295 Y319 R373 V375	A273-I291 HydrophobicContact CB-CB 4.25Å; A273-I291 VanDerWaalsContact CB-O 3.31Å; A273-I291 WeakPolarHBondContact CB-O 3.39Å; P274-I291 HydrophobicContact CB-CG2 4.44Å; P274-I291 HydrophobicContact CG-CG2 4.36Å; L286-I291 HydrophobicContact CB-CG2 4.41Å; S287-I291 WeakPolarHBondContact O-CG1 3.32Å; S287-I291 PolarHBondContact O-N 3.07Å; S287-I291 VanDerWaalsContact O-N 3.09Å; V288-I291 WeakPolarHBondContact O-CG1 3.19Å; I291-S294 WeakPolarHBondContact O-CB 3.06Å; I291-S294 PolarHBondContact O-N 3.2Å; I291-C295 PolarHBondContact O-N 3.5Å; I291-Y319 HydrophobicContact CD1-CD1 4.3Å; I291-Y319 HydrophobicContact CD1-CE1 4.3Å; I291-R373 HydrophobicContact CD1-CG 4.17Å; I291-V375 HydrophobicContact CB-CG1 3.89Å; I291-V375 HydrophobicContact CD1-CB 4.3Å; I291-V375 HydrophobicContact CD1-CG1 3.99Å; I291-V375 HydrophobicContact CG1-CB 4.48Å; I291-V375 HydrophobicContact CG1-CG1 3.7Å
292	T	97.4	Very high	92.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-46	176.2	-54.6	0	0	0	0	110.9	V288 S289 E290 S294 C295 F296 L317 Y319 A331 I335	V288-T292 VanDerWaalsContact O-CB 3.26Å; V288-T292 WeakPolarHBondContact O-CB 3.22Å; V288-T292 PolarHBondContact O-N 2.65Å; V288-T292 VanDerWaalsContact O-N 3.09Å; V288-T292 PolarHBondContact O-OG1 3.22Å; S289-T292 PolarHBondContact O-N 2.99Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 2.81Å; T292-S294 VanDerWaalsContact C-N 3.27Å; T292-S294 PolarHBondContact O-N 3.38Å; T292-C295 WeakPolarHBondContact O-CB 3.46Å; T292-C295 PolarHBondContact O-N 3.02Å; T292-C295 VanDerWaalsContact O-N 3.13Å; T292-F296 HydrophobicContact CG2-CE2 4.47Å; T292-F296 WeakPolarHBondContact O-CD2 3.44Å; T292-L317 HydrophobicContact CG2-CD1 4.23Å; T292-Y319 PolarHBondContact OG1-OH 3.22Å; T292-A331 HydrophobicContact CG2-CB 4.11Å; T292-I335 HydrophobicContact CG2-CG1 4.09Å
293	N	95.9	Very high	93.1	Very high	25 Å²	25	43.3 Å²	43.3	13%	0.134	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-41.2	176	-72.4	-40.5	0	0	0	111.5	S289 E290 C295 F296 I335 R338	S289-N293 WeakPolarHBondContact O-CB 3.33Å; S289-N293 PolarHBondContact O-N 3.05Å; S289-N293 PolarHBondContact O-ND2 3.48Å; S289-N293 PolarHBondContact OG-ND2 3.13Å; E290-N293 PolarHBondContact O-N 3.25Å; N293-C295 PolarHBondContact O-N 2.82Å; N293-F296 PolarHBondContact O-N 2.89Å; N293-I335 VanDerWaalsContact OD1-CD1 3.22Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.42Å; N293-R338 PolarHBondContact ND2-NH2 2.99Å; N293-R338 VanDerWaalsContact OD1-CZ 3.23Å; N293-R338 PolarHBondContact OD1-NH2 3.49Å
294	S	95.8	Very high	93.7	Very high	41 Å²	41	38.2 Å²	38.2	29%	0.287	21%	0.206	S	C	.	.	H	α-helix	trans	-59.5	-32.3	177.9	-61.5	0	0	0	0	112.4	E290 I291 T292 F296 E297 N300	E290-S294 WeakPolarHBondContact O-CB 3.41Å; E290-S294 PolarHBondContact O-N 2.87Å; E290-S294 PolarHBondContact O-OG 3.47Å; I291-S294 WeakPolarHBondContact O-CB 3.06Å; I291-S294 PolarHBondContact O-N 3.2Å; T292-S294 VanDerWaalsContact C-N 3.27Å; T292-S294 PolarHBondContact O-N 3.38Å; S294-F296 PolarHBondContact O-N 3.43Å; S294-E297 PolarHBondContact O-N 3.3Å; S294-N300 WeakPolarHBondContact O-CB 3.44Å; S294-N300 PolarHBondContact O-ND2 3.11Å
295	C	97	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-23.8	176.9	-74.3	0	0	0	0	114.3	T271 I291 T292 N293 Q301 V375 M377	T271-C295 HydrophobicContact CG2-CB 4.04Å; T271-C295 WeakPolarHBondContact CG2-O 3.29Å; I291-C295 PolarHBondContact O-N 3.5Å; T292-C295 WeakPolarHBondContact O-CB 3.46Å; T292-C295 PolarHBondContact O-N 3.02Å; T292-C295 VanDerWaalsContact O-N 3.13Å; N293-C295 PolarHBondContact O-N 2.82Å; C295-Q301 PolarHBondContact O-NE2 3.09Å; C295-V375 VanDerWaalsContact SG-CG1 3.56Å; C295-M377 HydrophobicContact CB-CB 3.85Å; C295-M377 HydrophobicContact CB-CE 4.15Å; C295-M377 HydrophobicContact CB-SD 3.92Å; C295-M377 WeakPolarHBondContact O-CE 3.22Å
296	F	95.9	Very high	95.1	Very high	10 Å²	10	27.4 Å²	27.4	4%	0.044	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-1.1	179.6	-71.9	-88.4	0	0	0	113.2	T292 N293 S294 Y312 I335 I341 F343 F351 M377	T292-F296 HydrophobicContact CG2-CE2 4.47Å; T292-F296 WeakPolarHBondContact O-CD2 3.44Å; N293-F296 PolarHBondContact O-N 2.89Å; S294-F296 PolarHBondContact O-N 3.43Å; F296-Y312 AromaticContact CD1-CE2 3.89Å; F296-Y312 HydrophobicContact CD1-CE2 3.89Å; F296-Y312 AromaticContact CD1-CZ 3.85Å; F296-Y312 HydrophobicContact CE1-CD2 4.45Å; F296-Y312 HydrophobicContact CE1-CE1 4.43Å; F296-Y312 HydrophobicContact CE1-CE2 4.09Å; F296-I335 HydrophobicContact CD1-CG2 4.41Å; F296-I335 HydrophobicContact CD2-CD1 3.58Å; F296-I335 HydrophobicContact CD2-CG1 4.06Å; F296-I335 HydrophobicContact CD2-CG2 4.17Å; F296-I335 HydrophobicContact CE1-CG2 4.13Å; F296-I335 HydrophobicContact CE2-CD1 4.05Å; F296-I335 HydrophobicContact CE2-CG1 4Å; F296-I335 HydrophobicContact CE2-CG2 3.88Å; F296-I335 HydrophobicContact CG-CD1 4.17Å; F296-I335 HydrophobicContact CG-CG2 4.44Å; F296-I335 HydrophobicContact CZ-CG2 3.86Å; F296-I341 HydrophobicContact CB-CD1 3.6Å; F296-I341 HydrophobicContact CB-CG1 4.37Å; F296-I341 HydrophobicContact CD1-CD1 3.84Å; F296-I341 HydrophobicContact CD1-CG1 4.35Å; F296-I341 HydrophobicContact CD1-CG2 3.8Å; F296-I341 HydrophobicContact CE1-CG2 4Å; F296-I341 HydrophobicContact CG-CD1 3.73Å; F296-F343 HydrophobicContact CE1-CZ 4.36Å; F296-F351 HydrophobicContact CE2-CE1 4.28Å; F296-F351 AromaticContact CZ-CE1 3.69Å; F296-F351 HydrophobicContact CZ-CE1 3.69Å; F296-F351 AromaticContact CZ-CZ 3.92Å; F296-F351 HydrophobicContact CZ-CZ 3.92Å; F296-M377 HydrophobicContact CD1-CE 4.34Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.09Å; F296-M377 HydrophobicContact CE1-CE 4.29Å; F296-M377 HydrophobicContact CE1-SD 3.79Å; F296-M377 HydrophobicContact CE2-SD 3.56Å; F296-M377 VanDerWaalsContact CE2-SD 3.56Å; F296-M377 HydrophobicContact CG-SD 4.42Å; F296-M377 HydrophobicContact CZ-CE 4.44Å; F296-M377 HydrophobicContact CZ-SD 3.38Å; F296-M377 WeakPolarHBondContact CZ-SD 3.25Å
297	E	95.2	Very high	95.3	Very high	86 Å²	86	26.2 Å²	26.2	40%	0.402	15%	0.152	S	C	.	.	S	Bend	trans	-75.2	128.7	175.9	-65.5	-59	149	0	0	110.1	S294 A299 N300 R338	S294-E297 PolarHBondContact O-N 3.3Å; E297-A299 PolarHBondContact O-N 2.71Å; E297-A299 VanDerWaalsContact O-N 3.12Å; E297-N300 PolarHBondContact O-N 2.98Å; E297-R338 IonicContact OE1-NH1 3.63Å
298	P	95.1	Very high	95.2	Very high	32 Å²	32	31.2 Å²	31.2	21%	0.208	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-52.8	-37.3	179.9	-29.4	35	0	0	0	113.3	N300 Q301 P307 R308	P298-N300 PolarHBondContact O-N 3.28Å; P298-Q301 WeakPolarHBondContact O-CB 3.41Å; P298-Q301 WeakPolarHBondContact O-CG 3.39Å; P298-Q301 PolarHBondContact O-N 3.34Å; P298-P307 HydrophobicContact CB-CG 4.32Å; P298-P307 HydrophobicContact CG-CG 4.16Å; P298-R308 HydrophobicContact CG-CG 4.13Å
299	A	94.6	Very high	95	Very high	57 Å²	57	35.9 Å²	35.9	47%	0.471	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-67.8	-16.5	-178.5	0	0	0	0	0	113.9	I212 R215 E297	I212-A299 WeakPolarHBondContact CG1-O 3.21Å; R215-A299 VanDerWaalsContact NH2-C 3.25Å; R215-A299 PolarHBondContact NH2-O 2.72Å; E297-A299 PolarHBondContact O-N 2.71Å; E297-A299 VanDerWaalsContact O-N 3.12Å
300	N	95.8	Very high	94.8	Very high	14 Å²	14	34.5 Å²	34.5	8%	0.075	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-98.9	-6.4	178.9	-67.5	-20.1	0	0	0	112.8	R215 T271 S294 E297 P298 M302	R215-N300 PolarHBondContact NH2-OD1 2.82Å; T271-N300 HydrophobicContact CG2-CB 3.99Å; T271-N300 WeakPolarHBondContact CG2-O 3.37Å; S294-N300 WeakPolarHBondContact O-CB 3.44Å; S294-N300 PolarHBondContact O-ND2 3.11Å; E297-N300 PolarHBondContact O-N 2.98Å; P298-N300 PolarHBondContact O-N 3.28Å; N300-M302 PolarHBondContact O-N 2.73Å
301	Q	96.1	Very high	94.8	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.019	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-62.9	135.2	173.3	-59.1	-55.6	-54.1	0	0	109.7	T271 C295 P298 V303 P307	T271-Q301 VanDerWaalsContact OG1-CD 3.26Å; T271-Q301 PolarHBondContact OG1-NE2 3.44Å; T271-Q301 PolarHBondContact OG1-OE1 2.57Å; C295-Q301 PolarHBondContact O-NE2 3.09Å; P298-Q301 WeakPolarHBondContact O-CB 3.41Å; P298-Q301 WeakPolarHBondContact O-CG 3.39Å; P298-Q301 PolarHBondContact O-N 3.34Å; Q301-V303 PolarHBondContact O-N 3.28Å; Q301-P307 HydrophobicContact CG-CG 3.89Å
302	M	96.3	Very high	94.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-87	12.3	179.1	-60.4	-153.4	-173.5	0	0	113.4	V204 D205 A208 I209 I212 I234 T270 I275 N300	V204-M302 CarbonylContact C-O 3.58Å; V204-M302 WeakPolarHBondContact CA-O 3.48Å; V204-M302 HydrophobicContact CG1-CB 4.17Å; D205-M302 PolarHBondContact N-O 2.76Å; A208-M302 VanDerWaalsContact CB-C 3.47Å; I209-M302 HydrophobicContact CD1-SD 4.13Å; I209-M302 HydrophobicContact CG1-CB 4.09Å; I209-M302 HydrophobicContact CG1-CG 4.25Å; I209-M302 HydrophobicContact CG1-SD 3.95Å; I212-M302 HydrophobicContact CD1-CG 4.1Å; I234-M302 HydrophobicContact CD1-CE 3.59Å; I234-M302 HydrophobicContact CD1-CG 4.48Å; I234-M302 HydrophobicContact CD1-SD 3.18Å; I234-M302 WeakPolarHBondContact CD1-SD 3.44Å; I234-M302 HydrophobicContact CG1-CE 4.12Å; I234-M302 HydrophobicContact CG1-SD 4.32Å; T270-M302 WeakPolarHBondContact O-CB 3.17Å; T270-M302 WeakPolarHBondContact O-CG 3.43Å; T270-M302 PolarHBondContact O-N 2.96Å; I275-M302 HydrophobicContact CD1-CE 3.96Å; N300-M302 PolarHBondContact O-N 2.73Å
303	V	94.7	Very high	94.5	Very high	3 Å²	3	32 Å²	32	2%	0.018	17%	0.169	C	C	.	.	S	Bend	trans	-131.2	140.2	173.3	178.7	0	0	0	0	108.6	M203 L269 Q301 C305 I384	M203-V303 HydrophobicContact CB-CG2 3.77Å; M203-V303 WeakPolarHBondContact O-CG2 3.33Å; L269-V303 HydrophobicContact CD2-CB 3.89Å; L269-V303 HydrophobicContact CD2-CG1 4.18Å; L269-V303 HydrophobicContact CD2-CG2 3.92Å; Q301-V303 PolarHBondContact O-N 3.28Å; V303-C305 VanDerWaalsContact C-N 3.29Å; V303-C305 PolarHBondContact O-N 2.71Å; V303-I384 HydrophobicContact CG1-CD1 4.12Å
304	K	93.3	Very high	94.4	Very high	55 Å²	55	31.2 Å²	31.2	24%	0.239	17%	0.166	C	C	.	.	S	Bend	trans	-75.4	81.9	176	-66.7	-70.5	-97	-172.4	0	111.5	P175 D205 E207 A208 E211 R390	P175-K304 HydrophobicContact CG-CB 3.7Å; P175-K304 HydrophobicContact CG-CG 4.07Å; D205-K304 WeakPolarHBondContact OD2-CB 3.29Å; D205-K304 WeakPolarHBondContact OD2-CG 3.44Å; E207-K304 HydrophobicContact CB-CG 4.31Å; E207-K304 HydrophobicContact CG-CD 4.45Å; E207-K304 HydrophobicContact CG-CG 4.33Å; E207-K304 WeakPolarHBondContact OE1-CE 3.27Å; E207-K304 IonicContact OE1-NZ 3.79Å; A208-K304 HydrophobicContact CB-CD 4.16Å; A208-K304 HydrophobicContact CB-CG 4.11Å; E211-K304 IonicContact OE1-NZ 3.81Å; E211-K304 PolarHBondContact OE1-NZ 3.3Å; E211-K304 IonicContact OE2-NZ 2.76Å; E211-K304 PolarHBondContact OE2-NZ 2.78Å; K304-R390 PolarHBondContact O-NH1 3.15Å; K304-R390 PolarHBondContact O-NH2 2.78Å; K304-R390 VanDerWaalsContact O-NH2 3.08Å
305	C	91.5	Very high	94.4	Very high	13 Å²	13	29.3 Å²	29.3	9%	0.088	15%	0.152	C	C	.	.	S	Bend	trans	-148.1	152.2	164.2	53.8	0	0	0	0	108.9	L269 V303 P307 A383 E386	L269-C305 WeakPolarHBondContact CD1-SG 3.28Å; V303-C305 VanDerWaalsContact C-N 3.29Å; V303-C305 PolarHBondContact O-N 2.71Å; C305-P307 WeakPolarHBondContact O-CD 3.43Å; C305-A383 WeakPolarHBondContact CB-O 3.24Å; C305-E386 WeakPolarHBondContact CA-OE2 3.27Å; C305-E386 HydrophobicContact CB-CB 4.4Å
306	D	92.9	Very high	94.3	Very high	33 Å²	33	29.3 Å²	29.3	18%	0.176	15%	0.152	C	C	.	.			trans	-93.3	111	176.6	-168.3	-18.1	0	0	0	109.9	R308 N309 A383 E386	D306-R308 VanDerWaalsContact CG-NE 3.35Å; D306-R308 PolarHBondContact O-N 2.87Å; D306-R308 VanDerWaalsContact OD1-CB 3.25Å; D306-R308 WeakPolarHBondContact OD1-CB 3.49Å; D306-R308 VanDerWaalsContact OD1-CG 3.3Å; D306-R308 WeakPolarHBondContact OD1-CG 3.4Å; D306-R308 IonicContact OD1-CZ 3.71Å; D306-R308 PolarHBondContact OD1-N 2.95Å; D306-R308 IonicContact OD1-NE 2.84Å; D306-R308 PolarHBondContact OD1-NE 3.05Å; D306-R308 IonicContact OD1-NH2 3.73Å; D306-R308 IonicContact OD2-CZ 3.21Å; D306-R308 IonicContact OD2-NE 3.03Å; D306-R308 PolarHBondContact OD2-NE 2.77Å; D306-R308 IonicContact OD2-NH2 2.64Å; D306-R308 PolarHBondContact OD2-NH2 2.89Å; D306-N309 PolarHBondContact O-N 3.27Å; D306-A383 WeakPolarHBondContact O-CB 3.38Å; D306-E386 PolarHBondContact N-OE2 3.48Å; D306-E386 VanDerWaalsContact N-OE2 3.1Å
307	P	93.3	Very high	94.3	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.039	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61.8	-16.2	-179.4	25.6	-34.3	0	0	0	113.1	P298 Q301 C305 N309 G310 Y312	P298-P307 HydrophobicContact CB-CG 4.32Å; P298-P307 HydrophobicContact CG-CG 4.16Å; Q301-P307 HydrophobicContact CG-CG 3.89Å; C305-P307 WeakPolarHBondContact O-CD 3.43Å; P307-N309 VanDerWaalsContact C-N 3.28Å; P307-G310 PolarHBondContact O-N 3.33Å; P307-Y312 HydrophobicContact CB-CE2 4.31Å; P307-Y312 WeakPolarHBondContact CB-OH 3.17Å
308	R	92.6	Very high	94.4	Very high	148 Å²	148	25.2 Å²	25.2	56%	0.558	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	-74	-19.2	176	-58.4	173.4	-66.8	-176.9	1	113.1	P298 D306 G310	P298-R308 HydrophobicContact CG-CG 4.13Å; D306-R308 VanDerWaalsContact CG-NE 3.35Å; D306-R308 PolarHBondContact O-N 2.87Å; D306-R308 VanDerWaalsContact OD1-CB 3.25Å; D306-R308 WeakPolarHBondContact OD1-CB 3.49Å; D306-R308 VanDerWaalsContact OD1-CG 3.3Å; D306-R308 WeakPolarHBondContact OD1-CG 3.4Å; D306-R308 IonicContact OD1-CZ 3.71Å; D306-R308 PolarHBondContact OD1-N 2.95Å; D306-R308 IonicContact OD1-NE 2.84Å; D306-R308 PolarHBondContact OD1-NE 3.05Å; D306-R308 IonicContact OD1-NH2 3.73Å; D306-R308 IonicContact OD2-CZ 3.21Å; D306-R308 IonicContact OD2-NE 3.03Å; D306-R308 PolarHBondContact OD2-NE 2.77Å; D306-R308 IonicContact OD2-NH2 2.64Å; D306-R308 PolarHBondContact OD2-NH2 2.89Å; R308-G310 VanDerWaalsContact C-N 3.25Å
309	N	92.9	Very high	94.5	Very high	107 Å²	107	23.7 Å²	23.7	57%	0.572	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	-88.3	5.6	177	-64.9	-14.8	0	0	0	112.2	D306 P307 E386	D306-N309 PolarHBondContact O-N 3.27Å; P307-N309 VanDerWaalsContact C-N 3.28Å; N309-E386 WeakPolarHBondContact CB-OE1 3.45Å; N309-E386 PolarHBondContact ND2-OE1 2.61Å
310	G	93.2	Very high	94.5	Very high	8 Å²	8	21.1 Å²	21.1	8%	0.082	10%	0.102	C	C	.	.	S	Bend	trans	-141	-173	176.2	0	0	0	0	0	112.3	P307 R308 T382	P307-G310 PolarHBondContact O-N 3.33Å; R308-G310 VanDerWaalsContact C-N 3.25Å; G310-T382 WeakPolarHBondContact CA-OG1 3.34Å
311	K	94	Very high	94.4	Very high	23 Å²	23	20.6 Å²	20.6	10%	0.1	10%	0.1	C	C	.	.			trans	-120.6	137.4	177.8	-63.6	178.7	-177.1	165.8	0	109.4	Q342 V344 T381 T382 A436 D438	K311-Q342 WeakPolarHBondContact CA-O 3.42Å; K311-Q342 HydrophobicContact CG-CB 4.02Å; K311-V344 HydrophobicContact CB-CG1 3.92Å; K311-T381 WeakPolarHBondContact O-CA 3.35Å; K311-T381 PolarHBondContact O-OG1 2.81Å; K311-T382 PolarHBondContact N-OG1 3.09Å; K311-T382 PolarHBondContact O-N 3.11Å; K311-A436 WeakPolarHBondContact CE-O 3.49Å; K311-A436 PolarHBondContact NZ-O 2.94Å; K311-D438 IonicContact NZ-OD1 3.17Å; K311-D438 PolarHBondContact NZ-OD1 2.74Å; K311-D438 IonicContact NZ-OD2 2.77Å; K311-D438 PolarHBondContact NZ-OD2 3.21Å
312	Y	94.8	Very high	94.3	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.02	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.2	171.9	-70.1	-77.3	0	0	0	110	F296 P307 I341 Q342 F343 V344 M377 T381	F296-Y312 AromaticContact CD1-CE2 3.89Å; F296-Y312 HydrophobicContact CD1-CE2 3.89Å; F296-Y312 AromaticContact CD1-CZ 3.85Å; F296-Y312 HydrophobicContact CE1-CD2 4.45Å; F296-Y312 HydrophobicContact CE1-CE1 4.43Å; F296-Y312 HydrophobicContact CE1-CE2 4.09Å; P307-Y312 HydrophobicContact CB-CE2 4.31Å; P307-Y312 WeakPolarHBondContact CB-OH 3.17Å; Y312-I341 HydrophobicContact CD2-CG2 3.8Å; Y312-I341 HydrophobicContact CE2-CG2 3.78Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.49Å; Y312-Q342 PolarHBondContact N-O 3.21Å; Y312-F343 HydrophobicContact CD2-CZ 4.44Å; Y312-F343 HydrophobicContact CG-CE1 4.26Å; Y312-F343 HydrophobicContact CG-CZ 4.47Å; Y312-F343 VanDerWaalsContact O-CA 3.29Å; Y312-F343 WeakPolarHBondContact O-CA 3.46Å; Y312-V344 PolarHBondContact O-N 3.4Å; Y312-M377 HydrophobicContact CE1-CE 4.49Å; Y312-T381 HydrophobicContact CE1-CG2 4.46Å
313	M	94.1	Very high	94.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-40.3	172.4	-66.3	169.7	-85.4	0	0	111.1	P261 I265 V344 W346 C347 N380 T382 Y432 V435	P261-M313 HydrophobicContact CG-SD 3.95Å; I265-M313 HydrophobicContact CG2-CE 3.7Å; I265-M313 HydrophobicContact CG2-SD 3.82Å; M313-V344 HydrophobicContact CB-CG2 4.5Å; M313-V344 HydrophobicContact CG-CG1 3.84Å; M313-V344 HydrophobicContact CG-CG2 4.43Å; M313-W346 HydrophobicContact CB-CH2 4.14Å; M313-W346 HydrophobicContact CB-CZ2 4.43Å; M313-W346 HydrophobicContact CG-CH2 4.19Å; M313-W346 HydrophobicContact CG-CZ2 4.01Å; M313-C347 PolarHBondContact O-SG 3.3Å; M313-N380 HydrophobicContact CE-CB 4.22Å; M313-N380 WeakPolarHBondContact CE-OD1 3.39Å; M313-N380 PolarHBondContact N-O 3.09Å; M313-T382 HydrophobicContact CE-CG2 3.99Å; M313-T382 HydrophobicContact CG-CG2 4.49Å; M313-T382 HydrophobicContact SD-CG2 4.33Å; M313-Y432 HydrophobicContact CE-CD1 4.05Å; M313-Y432 HydrophobicContact CE-CE1 3.82Å; M313-V435 HydrophobicContact CG-CG1 3.85Å; M313-V435 HydrophobicContact SD-CB 4.48Å; M313-V435 HydrophobicContact SD-CG1 3.46Å; M313-V435 WeakPolarHBondContact SD-CG1 3.5Å
314	A	94.1	Very high	94.2	Very high	9 Å²	9	28.7 Å²	28.7	7%	0.074	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	144	179.3	0	0	0	0	0	111.1	N258 L259 G350 S379 N380	N258-A314 WeakPolarHBondContact O-CB 3.26Å; L259-A314 HydrophobicContact CD2-CB 4.13Å; A314-G350 CarbonylContact C-O 3.46Å; A314-S379 CarbonylContact O-C 3.37Å; A314-S379 VanDerWaalsContact O-CA 3.26Å; A314-S379 WeakPolarHBondContact O-CA 3.2Å; A314-N380 PolarHBondContact N-O 3.38Å; A314-N380 PolarHBondContact O-N 2.92Å
315	C	95.2	Very high	94.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122	176	-65.5	0	0	0	0	109.4	G350 F351 K352 L378	C315-G350 PolarHBondContact N-O 2.9Å; C315-F351 HydrophobicContact CB-CD1 3.91Å; C315-F351 HydrophobicContact CB-CE1 3.96Å; C315-F351 CarbonylContact O-C 3.5Å; C315-F351 VanDerWaalsContact O-CA 3.27Å; C315-F351 WeakPolarHBondContact O-CA 3.48Å; C315-K352 PolarHBondContact O-N 3.13Å; C315-L378 CarbonylContact C-O 3.58Å; C315-L378 WeakPolarHBondContact CA-O 3.24Å
316	C	95	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.2	169.8	-169.8	0	0	0	0	109.2	L259 K352 M377 L378	L259-C316 HydrophobicContact CD1-CB 4.32Å; L259-C316 HydrophobicContact CD2-CB 3.78Å; L259-C316 HydrophobicContact CG-CB 4.29Å; C316-K352 CarbonylContact C-O 3.58Å; C316-K352 WeakPolarHBondContact CA-O 3.41Å; C316-K352 HydrophobicContact CB-CB 4.4Å; C316-M377 WeakPolarHBondContact O-CA 3.38Å; C316-L378 HydrophobicContact CB-CB 4.25Å; C316-L378 PolarHBondContact N-O 3.14Å; C316-L378 PolarHBondContact O-N 3.38Å
317	L	96.1	Very high	94.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.2	178.9	-65.2	170.4	0	0	0	109.6	T292 Y319 I332 F351 K352 V353 G354 V375 M377	T292-L317 HydrophobicContact CG2-CD1 4.23Å; L317-Y319 HydrophobicContact CB-CD2 4.26Å; L317-Y319 HydrophobicContact CB-CE2 3.61Å; L317-Y319 HydrophobicContact CD1-CE2 4.31Å; L317-I332 HydrophobicContact CD1-CD1 3.98Å; L317-I332 HydrophobicContact CD1-CG1 3.82Å; L317-F351 HydrophobicContact CD1-CD1 3.78Å; L317-F351 HydrophobicContact CD1-CE1 4Å; L317-F351 HydrophobicContact CG-CD1 4.38Å; L317-K352 PolarHBondContact N-O 3.16Å; L317-V353 WeakPolarHBondContact O-CA 3.12Å; L317-G354 PolarHBondContact O-N 3.17Å; L317-V375 HydrophobicContact CB-CG2 4.23Å; L317-V375 HydrophobicContact CD2-CG2 4Å; L317-M377 HydrophobicContact CD2-CB 3.87Å; L317-M377 HydrophobicContact CD2-CG 3.74Å; L317-M377 HydrophobicContact CD2-SD 4Å
318	L	96.2	Very high	94.7	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	94.4	-177.8	-56.3	177.3	0	0	0	109.5	I238 V250 F255 V375 C376 L378	I238-L318 HydrophobicContact CB-CD1 4.4Å; I238-L318 HydrophobicContact CG1-CD1 4.01Å; V250-L318 HydrophobicContact CG2-CD2 4.16Å; F255-L318 HydrophobicContact CE1-CD1 4.05Å; F255-L318 HydrophobicContact CE1-CD2 4.33Å; F255-L318 HydrophobicContact CZ-CD1 4.04Å; F255-L318 HydrophobicContact CZ-CD2 4.46Å; L318-V375 WeakPolarHBondContact O-CA 3.42Å; L318-C376 HydrophobicContact CB-CB 4.25Å; L318-C376 PolarHBondContact N-O 2.97Å; L318-C376 PolarHBondContact O-N 3.45Å; L318-L378 HydrophobicContact CD1-CD1 3.99Å; L318-L378 HydrophobicContact CD1-CG 4.47Å
319	Y	97.3	Very high	94.9	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	144.2	179	-66.5	-87.3	0	0	0	111.8	V288 I291 T292 L317 V323 V328 V353 G354 I355 N356 A374 V375	V288-Y319 HydrophobicContact CG1-CD1 4.49Å; V288-Y319 HydrophobicContact CG1-CE1 3.82Å; I291-Y319 HydrophobicContact CD1-CD1 4.3Å; I291-Y319 HydrophobicContact CD1-CE1 4.3Å; T292-Y319 PolarHBondContact OG1-OH 3.22Å; L317-Y319 HydrophobicContact CB-CD2 4.26Å; L317-Y319 HydrophobicContact CB-CE2 3.61Å; L317-Y319 HydrophobicContact CD1-CE2 4.31Å; Y319-V323 HydrophobicContact CD1-CG1 3.88Å; Y319-V323 HydrophobicContact CD1-CG2 4.12Å; Y319-V323 HydrophobicContact CG-CG1 3.87Å; Y319-V323 HydrophobicContact CG-CG2 4.45Å; Y319-V328 HydrophobicContact CD1-CG2 4.49Å; Y319-V328 HydrophobicContact CD2-CG1 4.21Å; Y319-V328 HydrophobicContact CD2-CG2 3.92Å; Y319-V328 HydrophobicContact CE1-CG2 4.33Å; Y319-V328 HydrophobicContact CE2-CB 4.19Å; Y319-V328 HydrophobicContact CE2-CG1 3.42Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.42Å; Y319-V328 HydrophobicContact CE2-CG2 3.71Å; Y319-V328 HydrophobicContact CG-CG2 4.3Å; Y319-V353 HydrophobicContact CD2-CG1 4.12Å; Y319-V353 HydrophobicContact CE2-CG1 4.24Å; Y319-G354 PolarHBondContact N-O 2.74Å; Y319-I355 HydrophobicContact CD2-CG1 4.42Å; Y319-N356 PolarHBondContact O-N 3.4Å; Y319-A374 CarbonylContact C-O 3.5Å; Y319-A374 WeakPolarHBondContact CA-O 3.49Å; Y319-V375 HydrophobicContact CD1-CB 3.63Å; Y319-V375 HydrophobicContact CD1-CG2 3.84Å; Y319-V375 HydrophobicContact CD2-CG2 4.35Å; Y319-V375 HydrophobicContact CE1-CB 3.66Å; Y319-V375 HydrophobicContact CE1-CG1 4.27Å; Y319-V375 HydrophobicContact CE1-CG2 3.68Å; Y319-V375 HydrophobicContact CE2-CG2 4.21Å; Y319-V375 HydrophobicContact CG-CB 4.31Å; Y319-V375 HydrophobicContact CG-CG2 4.18Å
320	R	95.3	Very high	95.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.2	174.8	-62.8	-66.1	-58.3	-106.1	-13.5	109.4	E27 S236 N356 Q358 P360 R373 A374	E27-R320 IonicContact OE1-CZ 3.44Å; E27-R320 IonicContact OE1-NH1 3.28Å; E27-R320 IonicContact OE1-NH2 3.99Å; E27-R320 PolarHBondContact OE1-NH2 3.47Å; S236-R320 PolarHBondContact O-NH1 3.27Å; S236-R320 PolarHBondContact OG-NH1 2.93Å; S236-R320 VanDerWaalsContact OG-NH1 3.09Å; R320-N356 CarbonylContact C-O 3.47Å; R320-N356 WeakPolarHBondContact CA-O 3.36Å; R320-Q358 PolarHBondContact NE-O 2.84Å; R320-Q358 PolarHBondContact NH2-O 3.14Å; R320-P360 HydrophobicContact CB-CG 3.88Å; R320-P360 HydrophobicContact CG-CG 4.48Å; R320-R373 CarbonylContact O-C 3.57Å; R320-R373 WeakPolarHBondContact O-CA 3.4Å; R320-A374 PolarHBondContact N-O 2.9Å; R320-A374 PolarHBondContact O-N 3.2Å
321	G	94.4	Very high	95.2	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.2	-144.5	170.7	0	0	0	0	0	115	V323 N356 Q358 Q372	G321-V323 VanDerWaalsContact C-N 3.35Å; G321-V323 PolarHBondContact O-N 2.82Å; G321-N356 PolarHBondContact N-O 3.4Å; G321-Q358 PolarHBondContact N-O 2.99Å; G321-Q372 WeakPolarHBondContact CA-O 3.25Å
322	D	93.5	Very high	95.3	Very high	94 Å²	94	32.4 Å²	32.4	50%	0.503	18%	0.18	S	C	.	.	S	Bend	trans	-73.4	83.3	-175.3	177.4	34.2	0	0	0	111.5	Q372 R373	D322-Q372 PolarHBondContact N-O 3.28Å; D322-R373 WeakPolarHBondContact O-CD 3.41Å; D322-R373 PolarHBondContact O-NE 2.96Å; D322-R373 IonicContact OD2-CZ 3.8Å; D322-R373 IonicContact OD2-NH2 2.72Å; D322-R373 PolarHBondContact OD2-NH2 3.42Å
323	V	95	Very high	95.3	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.048	20%	0.2	C	C	.	.			trans	-137.1	127.8	-178.1	178.5	0	0	0	0	109.8	V288 Y319 G321 V328 I355 R373	V288-V323 HydrophobicContact CG1-CG1 4.3Å; V288-V323 HydrophobicContact CG2-CB 4.43Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.19Å; Y319-V323 HydrophobicContact CD1-CG1 3.88Å; Y319-V323 HydrophobicContact CD1-CG2 4.12Å; Y319-V323 HydrophobicContact CG-CG1 3.87Å; Y319-V323 HydrophobicContact CG-CG2 4.45Å; G321-V323 VanDerWaalsContact C-N 3.35Å; G321-V323 PolarHBondContact O-N 2.82Å; V323-V328 HydrophobicContact CG1-CG2 3.36Å; V323-I355 HydrophobicContact CB-CG2 4.27Å; V323-R373 HydrophobicContact CG2-CB 3.83Å
324	V	93.2	Very high	95.4	Very high	75 Å²	75	38.4 Å²	38.4	46%	0.455	22%	0.22	S	C	.	.			trans	-105.5	137.4	179.3	-176.7	0	0	0	0	109.9	K326 D327 V328	V324-K326 HydrophobicContact CG1-CB 4.31Å; V324-K326 PolarHBondContact O-N 3.03Å; V324-D327 PolarHBondContact O-N 2.98Å; V324-V328 PolarHBondContact O-N 3.42Å
325	P	94	Very high	95.4	Very high	58 Å²	58	38 Å²	38	38%	0.377	22%	0.217	S	C	.	.	H	α-helix	trans	-53.3	-32.2	-178.6	-27.8	32.1	0	0	0	115	D327 V328 N329 I355	P325-D327 PolarHBondContact O-N 3.29Å; P325-V328 PolarHBondContact O-N 3.2Å; P325-N329 PolarHBondContact O-N 2.81Å; P325-N329 PolarHBondContact O-ND2 3.29Å; P325-N329 VanDerWaalsContact O-ND2 3.13Å; P325-I355 HydrophobicContact CB-CD1 4.23Å; P325-I355 HydrophobicContact CG-CD1 3.83Å
326	K	96.1	Very high	95.2	Very high	163 Å²	163	43 Å²	43	71%	0.709	24%	0.238	S	C	*	.	H	α-helix	trans	-59	-45.9	177.2	-177.4	-175.4	174.7	-172.9	0	111.9	V324 V328 N329 A330	V324-K326 HydrophobicContact CG1-CB 4.31Å; V324-K326 PolarHBondContact O-N 3.03Å; K326-V328 VanDerWaalsContact C-N 3.34Å; K326-N329 PolarHBondContact O-N 3.45Å; K326-A330 PolarHBondContact O-N 3.48Å
327	D	96.4	Very high	95.1	Very high	77 Å²	77	48.2 Å²	48.2	41%	0.412	27%	0.27	S	S	.	.	H	α-helix	trans	-72.9	-33.3	-177	-61.3	-21.9	0	0	0	111	V288 V324 P325 A330 A331	V288-D327 HydrophobicContact CB-CB 3.96Å; V288-D327 HydrophobicContact CG1-CB 4.18Å; V288-D327 HydrophobicContact CG2-CB 4.04Å; V324-D327 PolarHBondContact O-N 2.98Å; P325-D327 PolarHBondContact O-N 3.29Å; D327-A330 PolarHBondContact O-N 3.22Å; D327-A331 WeakPolarHBondContact O-CB 3.29Å; D327-A331 PolarHBondContact O-N 2.79Å
328	V	96.4	Very high	94.9	Very high	2 Å²	2	52 Å²	52	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-48.8	172.5	178	0	0	0	0	110.8	V288 Y319 V323 V324 P325 K326 A330 A331 I332 V353 I355	V288-V328 HydrophobicContact CG1-CG2 3.94Å; Y319-V328 HydrophobicContact CD1-CG2 4.49Å; Y319-V328 HydrophobicContact CD2-CG1 4.21Å; Y319-V328 HydrophobicContact CD2-CG2 3.92Å; Y319-V328 HydrophobicContact CE1-CG2 4.33Å; Y319-V328 HydrophobicContact CE2-CB 4.19Å; Y319-V328 HydrophobicContact CE2-CG1 3.42Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.42Å; Y319-V328 HydrophobicContact CE2-CG2 3.71Å; Y319-V328 HydrophobicContact CG-CG2 4.3Å; V323-V328 HydrophobicContact CG1-CG2 3.36Å; V324-V328 PolarHBondContact O-N 3.42Å; P325-V328 PolarHBondContact O-N 3.2Å; K326-V328 VanDerWaalsContact C-N 3.34Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.76Å; V328-A331 PolarHBondContact O-N 2.81Å; V328-I332 HydrophobicContact CG1-CD1 3.76Å; V328-I332 HydrophobicContact CG1-CG1 4.4Å; V328-I332 WeakPolarHBondContact O-CG1 3.27Å; V328-I332 PolarHBondContact O-N 2.85Å; V328-V353 HydrophobicContact CG1-CB 4.47Å; V328-V353 HydrophobicContact CG1-CG1 3.74Å; V328-V353 HydrophobicContact CG1-CG2 3.84Å; V328-I355 HydrophobicContact CG2-CD1 4.12Å
329	N	95.2	Very high	94.6	Very high	106 Å²	106	62.8 Å²	62.8	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-61.3	-39.7	178.2	-73.1	-37.5	0	0	0	112	P325 K326 A333	P325-N329 PolarHBondContact O-N 2.81Å; P325-N329 PolarHBondContact O-ND2 3.29Å; P325-N329 VanDerWaalsContact O-ND2 3.13Å; K326-N329 PolarHBondContact O-N 3.45Å; N329-A333 WeakPolarHBondContact O-CB 3.28Å; N329-A333 PolarHBondContact O-N 2.61Å
330	A	97.1	Very high	94.2	Very high	51 Å²	51	66.3 Å²	66.3	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-41.9	174.7	0	0	0	0	0	112.2	K326 D327 V328 A333 N334	K326-A330 PolarHBondContact O-N 3.48Å; D327-A330 PolarHBondContact O-N 3.22Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.76Å; A330-A333 PolarHBondContact O-N 3.22Å; A330-N334 PolarHBondContact O-N 2.65Å; A330-N334 PolarHBondContact O-ND2 3.14Å
331	A	96.7	Very high	94	Very high	1 Å²	1	67 Å²	67	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-63	-45.3	176.4	0	0	0	0	0	111.9	V288 T292 D327 V328 A333 N334 I335	V288-A331 HydrophobicContact CG1-CB 4.45Å; T292-A331 HydrophobicContact CG2-CB 4.11Å; D327-A331 WeakPolarHBondContact O-CB 3.29Å; D327-A331 PolarHBondContact O-N 2.79Å; V328-A331 PolarHBondContact O-N 2.81Å; A331-A333 PolarHBondContact O-N 3.02Å; A331-N334 WeakPolarHBondContact O-CB 3.35Å; A331-N334 PolarHBondContact O-N 3.38Å; A331-I335 WeakPolarHBondContact O-CG1 3.09Å; A331-I335 PolarHBondContact O-N 2.82Å
332	I	95.6	Very high	93.9	Very high	13 Å²	13	71.6 Å²	71.6	7%	0.067	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-42	177.2	-67.4	168.6	0	0	0	111.1	L317 V328 N334 I335 K336 F351 V353	L317-I332 HydrophobicContact CD1-CD1 3.98Å; L317-I332 HydrophobicContact CD1-CG1 3.82Å; V328-I332 HydrophobicContact CG1-CD1 3.76Å; V328-I332 HydrophobicContact CG1-CG1 4.4Å; V328-I332 WeakPolarHBondContact O-CG1 3.27Å; V328-I332 PolarHBondContact O-N 2.85Å; I332-N334 VanDerWaalsContact C-N 3.26Å; I332-N334 PolarHBondContact O-N 3.19Å; I332-I335 PolarHBondContact O-N 2.86Å; I332-K336 HydrophobicContact CG2-CD 4.42Å; I332-K336 WeakPolarHBondContact O-CG 3.37Å; I332-K336 PolarHBondContact O-N 2.84Å; I332-F351 HydrophobicContact CD1-CB 4.39Å; I332-F351 HydrophobicContact CD1-CD1 4.26Å; I332-F351 HydrophobicContact CD1-CG 4.5Å; I332-F351 HydrophobicContact CG1-CD1 4.11Å; I332-F351 HydrophobicContact CG1-CE1 4.38Å; I332-F351 HydrophobicContact CG2-CB 4.32Å; I332-F351 HydrophobicContact CG2-CD1 4.06Å; I332-F351 HydrophobicContact CG2-CD2 3.83Å; I332-F351 HydrophobicContact CG2-CE1 4.27Å; I332-F351 HydrophobicContact CG2-CE2 4.07Å; I332-F351 HydrophobicContact CG2-CG 3.81Å; I332-F351 HydrophobicContact CG2-CZ 4.27Å; I332-V353 HydrophobicContact CD1-CG2 3.47Å; I332-V353 VanDerWaalsContact CD1-CG2 3.47Å
333	A	94.6	Very high	93.9	Very high	53 Å²	53	69.3 Å²	69.3	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-57.6	-43.2	175.4	0	0	0	0	0	111	N329 A330 A331 K336 T337	N329-A333 WeakPolarHBondContact O-CB 3.28Å; N329-A333 PolarHBondContact O-N 2.61Å; A330-A333 PolarHBondContact O-N 3.22Å; A331-A333 PolarHBondContact O-N 3.02Å; A333-K336 PolarHBondContact O-N 2.84Å; A333-T337 WeakPolarHBondContact O-CG2 3.47Å; A333-T337 PolarHBondContact O-N 2.75Å
334	N	95.1	Very high	93.7	Very high	80 Å²	80	69.1 Å²	69.1	43%	0.428	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-43.1	175.5	-69.1	-20.9	0	0	0	112.4	A330 A331 I332 K336 T337	A330-N334 PolarHBondContact O-N 2.65Å; A330-N334 PolarHBondContact O-ND2 3.14Å; A331-N334 WeakPolarHBondContact O-CB 3.35Å; A331-N334 PolarHBondContact O-N 3.38Å; I332-N334 VanDerWaalsContact C-N 3.26Å; I332-N334 PolarHBondContact O-N 3.19Å; N334-K336 VanDerWaalsContact C-N 3.32Å; N334-K336 PolarHBondContact O-N 2.79Å; N334-T337 PolarHBondContact O-N 2.96Å; N334-T337 VanDerWaalsContact O-N 3.12Å; N334-T337 PolarHBondContact O-OG1 3.25Å
335	I	94.4	Very high	93.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57.3	-45.2	176.4	-69.2	-61.8	0	0	0	111.3	T292 N293 F296 A331 I332 T337 R338 I341 F351	T292-I335 HydrophobicContact CG2-CG1 4.09Å; N293-I335 VanDerWaalsContact OD1-CD1 3.22Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.42Å; F296-I335 HydrophobicContact CD1-CG2 4.41Å; F296-I335 HydrophobicContact CD2-CD1 3.58Å; F296-I335 HydrophobicContact CD2-CG1 4.06Å; F296-I335 HydrophobicContact CD2-CG2 4.17Å; F296-I335 HydrophobicContact CE1-CG2 4.13Å; F296-I335 HydrophobicContact CE2-CD1 4.05Å; F296-I335 HydrophobicContact CE2-CG1 4Å; F296-I335 HydrophobicContact CE2-CG2 3.88Å; F296-I335 HydrophobicContact CG-CD1 4.17Å; F296-I335 HydrophobicContact CG-CG2 4.44Å; F296-I335 HydrophobicContact CZ-CG2 3.86Å; A331-I335 WeakPolarHBondContact O-CG1 3.09Å; A331-I335 PolarHBondContact O-N 2.82Å; I332-I335 PolarHBondContact O-N 2.86Å; I335-T337 PolarHBondContact O-N 3.42Å; I335-T337 VanDerWaalsContact O-N 3.13Å; I335-R338 WeakPolarHBondContact O-CB 3.37Å; I335-R338 PolarHBondContact O-N 3.23Å; I335-I341 HydrophobicContact CD1-CD1 3.98Å; I335-I341 HydrophobicContact CG2-CD1 3.81Å; I335-I341 HydrophobicContact CG2-CG2 4.23Å; I335-F351 HydrophobicContact CB-CZ 4.44Å; I335-F351 HydrophobicContact CG2-CE1 4.44Å; I335-F351 HydrophobicContact CG2-CZ 3.73Å
336	K	91.9	Very high	92.9	Very high	106 Å²	106	70.7 Å²	70.7	46%	0.461	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-20.6	179.1	-72	-175.9	174	-162.4	0	114	I332 A333 N334 P348 F351	I332-K336 HydrophobicContact CG2-CD 4.42Å; I332-K336 WeakPolarHBondContact O-CG 3.37Å; I332-K336 PolarHBondContact O-N 2.84Å; A333-K336 PolarHBondContact O-N 2.84Å; N334-K336 VanDerWaalsContact C-N 3.32Å; N334-K336 PolarHBondContact O-N 2.79Å; K336-P348 PolarHBondContact NZ-O 3.2Å; K336-F351 HydrophobicContact CG-CE2 4.02Å
337	T	92	Very high	92.1	Very high	109 Å²	109	64.1 Å²	64.1	67%	0.669	33%	0.328	S	S	*	.	H	α-helix	trans	-85.1	-13.2	176.2	67.4	0	0	0	0	114	A333 N334 I335 R339	A333-T337 WeakPolarHBondContact O-CG2 3.47Å; A333-T337 PolarHBondContact O-N 2.75Å; N334-T337 PolarHBondContact O-N 2.96Å; N334-T337 VanDerWaalsContact O-N 3.12Å; N334-T337 PolarHBondContact O-OG1 3.25Å; I335-T337 PolarHBondContact O-N 3.42Å; I335-T337 VanDerWaalsContact O-N 3.13Å; T337-R339 PolarHBondContact O-N 3.2Å
338	R	92.3	Very high	90.5	Very high	81 Å²	81	65.2 Å²	65.2	31%	0.306	34%	0.339	S	S	.	.			trans	-79.8	114.4	-176.4	-68.9	-177.5	172.9	-153.1	-3.7	110.5	N293 E297 I335 S340 I341	N293-R338 PolarHBondContact ND2-NH2 2.99Å; N293-R338 VanDerWaalsContact OD1-CZ 3.23Å; N293-R338 PolarHBondContact OD1-NH2 3.49Å; E297-R338 IonicContact OE1-NH1 3.63Å; I335-R338 WeakPolarHBondContact O-CB 3.37Å; I335-R338 PolarHBondContact O-N 3.23Å; R338-S340 PolarHBondContact O-N 3.12Å; R338-S340 VanDerWaalsContact O-N 3.14Å; R338-I341 HydrophobicContact CB-CB 4.47Å; R338-I341 HydrophobicContact CB-CD1 4Å; R338-I341 HydrophobicContact CB-CG1 4.16Å; R338-I341 HydrophobicContact CG-CD1 4.48Å; R338-I341 PolarHBondContact O-N 3.1Å
339	R	89.2	Confident	89.1	Confident	235 Å²	235	70.5 Å²	70.5	89%	0.887	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.7	178.9	-63.9	-175.3	179.8	-171.4	-1.7	114.6	T337 I341	T337-R339 PolarHBondContact O-N 3.2Å; R339-I341 PolarHBondContact O-N 2.81Å
340	S	89.6	Confident	88.5	Confident	74 Å²	74	65.7 Å²	65.7	52%	0.517	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.5	176.7	59.6	0	0	0	0	113.5	R338	R338-S340 PolarHBondContact O-N 3.12Å; R338-S340 VanDerWaalsContact O-N 3.14Å
341	I	92.2	Very high	88.2	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.087	33%	0.334	C	S	.	.	S	Bend	trans	-114.3	105.4	-179.6	-56.4	175.5	0	0	0	106.6	F296 Y312 I335 R338 R339 F343	F296-I341 HydrophobicContact CB-CD1 3.6Å; F296-I341 HydrophobicContact CB-CG1 4.37Å; F296-I341 HydrophobicContact CD1-CD1 3.84Å; F296-I341 HydrophobicContact CD1-CG1 4.35Å; F296-I341 HydrophobicContact CD1-CG2 3.8Å; F296-I341 HydrophobicContact CE1-CG2 4Å; F296-I341 HydrophobicContact CG-CD1 3.73Å; Y312-I341 HydrophobicContact CD2-CG2 3.8Å; Y312-I341 HydrophobicContact CE2-CG2 3.78Å; I335-I341 HydrophobicContact CD1-CD1 3.98Å; I335-I341 HydrophobicContact CG2-CD1 3.81Å; I335-I341 HydrophobicContact CG2-CG2 4.23Å; R338-I341 HydrophobicContact CB-CB 4.47Å; R338-I341 HydrophobicContact CB-CD1 4Å; R338-I341 HydrophobicContact CB-CG1 4.16Å; R338-I341 HydrophobicContact CG-CD1 4.48Å; R338-I341 PolarHBondContact O-N 3.1Å; R339-I341 PolarHBondContact O-N 2.81Å; I341-F343 HydrophobicContact CG2-CD2 4.34Å; I341-F343 HydrophobicContact CG2-CE2 3.53Å; I341-F343 HydrophobicContact CG2-CZ 4.03Å
342	Q	92	Very high	88	Confident	100 Å²	100	68 Å²	68	47%	0.467	35%	0.347	S	S	.	.			trans	-101.5	137.3	-177.4	-61.8	-173.4	-3.6	0	0	110.2	K311 Y312	K311-Q342 WeakPolarHBondContact CA-O 3.42Å; K311-Q342 HydrophobicContact CG-CB 4.02Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.49Å; Y312-Q342 PolarHBondContact N-O 3.21Å
343	F	92	Very high	87.9	Confident	47 Å²	47	68.3 Å²	68.3	21%	0.206	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-113.2	152.7	172	-70.4	-94.4	0	0	0	108.7	F296 Y312 I341 F351	F296-F343 HydrophobicContact CE1-CZ 4.36Å; Y312-F343 HydrophobicContact CD2-CZ 4.44Å; Y312-F343 HydrophobicContact CG-CE1 4.26Å; Y312-F343 HydrophobicContact CG-CZ 4.47Å; Y312-F343 VanDerWaalsContact O-CA 3.29Å; Y312-F343 WeakPolarHBondContact O-CA 3.46Å; I341-F343 HydrophobicContact CG2-CD2 4.34Å; I341-F343 HydrophobicContact CG2-CE2 3.53Å; I341-F343 HydrophobicContact CG2-CZ 4.03Å; F343-F351 HydrophobicContact CE1-CD2 4.37Å; F343-F351 AromaticContact CE1-CE2 3.66Å; F343-F351 HydrophobicContact CE1-CE2 3.66Å; F343-F351 AromaticContact CE1-CZ 3.96Å; F343-F351 HydrophobicContact CE1-CZ 3.96Å; F343-F351 AromaticContact CE2-CE2 3.96Å; F343-F351 HydrophobicContact CE2-CE2 3.96Å; F343-F351 HydrophobicContact CE2-CZ 4.12Å; F343-F351 HydrophobicContact CZ-CD2 4.39Å; F343-F351 HydrophobicContact CZ-CE1 4.41Å; F343-F351 AromaticContact CZ-CE2 3.3Å; F343-F351 HydrophobicContact CZ-CE2 3.3Å; F343-F351 AromaticContact CZ-CZ 3.32Å; F343-F351 HydrophobicContact CZ-CZ 3.32Å
344	V	91.3	Very high	87.8	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.024	33%	0.332	C	S	.	.			trans	-60.6	144.7	167.8	-60.8	0	0	0	0	110.4	K311 Y312 M313 W346 C347 V435	K311-V344 HydrophobicContact CB-CG1 3.92Å; Y312-V344 PolarHBondContact O-N 3.4Å; M313-V344 HydrophobicContact CB-CG2 4.5Å; M313-V344 HydrophobicContact CG-CG1 3.84Å; M313-V344 HydrophobicContact CG-CG2 4.43Å; V344-W346 HydrophobicContact CB-CD2 4.26Å; V344-W346 HydrophobicContact CB-CG 4.48Å; V344-W346 HydrophobicContact CB-CZ2 4Å; V344-W346 HydrophobicContact CG1-CZ2 4.1Å; V344-W346 HydrophobicContact CG2-CD2 3.76Å; V344-W346 VanDerWaalsContact CG2-CE2 3.43Å; V344-W346 HydrophobicContact CG2-CE3 4.12Å; V344-W346 HydrophobicContact CG2-CG 4.35Å; V344-W346 HydrophobicContact CG2-CH2 3.88Å; V344-W346 HydrophobicContact CG2-CZ2 3.51Å; V344-W346 HydrophobicContact CG2-CZ3 4.18Å; V344-C347 HydrophobicContact CG2-CB 3.52Å; V344-C347 PolarHBondContact O-N 2.99Å; V344-V435 HydrophobicContact CG1-CG1 4.38Å
345	D	86.4	Confident	87.8	Confident	64 Å²	64	62.4 Å²	62.4	34%	0.342	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-34.4	-174.9	57.1	-9.2	0	0	0	113.1	C347 T439	D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3.23Å; D345-T439 WeakPolarHBondContact OD2-CB 3.31Å; D345-T439 WeakPolarHBondContact OD2-CG2 3.46Å; D345-T439 PolarHBondContact OD2-N 3.43Å; D345-T439 VanDerWaalsContact OD2-N 3.11Å; D345-T439 PolarHBondContact OD2-OG1 2.89Å
346	W	85.5	Confident	87.7	Confident	101 Å²	101	62.7 Å²	62.7	38%	0.383	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10	179.8	54.9	-101	0	0	0	114.1	P261 M313 V344 P348 V435	P261-W346 HydrophobicContact CB-CH2 3.79Å; P261-W346 HydrophobicContact CB-CZ3 4.28Å; P261-W346 HydrophobicContact CG-CH2 4.14Å; M313-W346 HydrophobicContact CB-CH2 4.14Å; M313-W346 HydrophobicContact CB-CZ2 4.43Å; M313-W346 HydrophobicContact CG-CH2 4.19Å; M313-W346 HydrophobicContact CG-CZ2 4.01Å; V344-W346 HydrophobicContact CB-CD2 4.26Å; V344-W346 HydrophobicContact CB-CG 4.48Å; V344-W346 HydrophobicContact CB-CZ2 4Å; V344-W346 HydrophobicContact CG1-CZ2 4.1Å; V344-W346 HydrophobicContact CG2-CD2 3.76Å; V344-W346 VanDerWaalsContact CG2-CE2 3.43Å; V344-W346 HydrophobicContact CG2-CE3 4.12Å; V344-W346 HydrophobicContact CG2-CG 4.35Å; V344-W346 HydrophobicContact CG2-CH2 3.88Å; V344-W346 HydrophobicContact CG2-CZ2 3.51Å; V344-W346 HydrophobicContact CG2-CZ3 4.18Å; W346-P348 VanDerWaalsContact C-CD 3.44Å; W346-P348 VanDerWaalsContact O-CD 3.29Å; W346-P348 WeakPolarHBondContact O-CD 3.21Å; W346-V435 HydrophobicContact CZ2-CG1 3.67Å
347	C	78.3	Confident	87.7	Confident	26 Å²	26	64.3 Å²	64.3	18%	0.176	32%	0.318	C	S	.	.			trans	-118.4	72.2	177.2	-164.1	0	0	0	0	112.6	M313 V344 D345 T349 G350	M313-C347 PolarHBondContact O-SG 3.3Å; V344-C347 HydrophobicContact CG2-CB 3.52Å; V344-C347 PolarHBondContact O-N 2.99Å; D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3.23Å; C347-T349 PolarHBondContact O-N 2.72Å; C347-G350 PolarHBondContact O-N 3.15Å
348	P	63.1	Low	87.7	Confident	99 Å²	99	62.8 Å²	62.8	64%	0.643	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.6	-177.7	24.9	-33.5	0	0	0	113.6	K336 W346	K336-P348 PolarHBondContact NZ-O 3.2Å; W346-P348 VanDerWaalsContact C-CD 3.44Å; W346-P348 VanDerWaalsContact O-CD 3.29Å; W346-P348 WeakPolarHBondContact O-CD 3.21Å
349	T	67.3	Low	87.8	Confident	113 Å²	113	60.6 Å²	60.6	69%	0.693	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	41.9	179.9	57	0	0	0	0	112.2	C347 F351	C347-T349 PolarHBondContact O-N 2.72Å; T349-F351 PolarHBondContact O-N 3.43Å
350	G	81.2	Confident	88	Confident	6 Å²	6	49.7 Å²	49.7	6%	0.062	26%	0.259	C	S	.	.			trans	-66.2	20.9	-176.8	0	0	0	0	0	117	A314 C315 C347	A314-G350 CarbonylContact C-O 3.46Å; C315-G350 PolarHBondContact N-O 2.9Å; C347-G350 PolarHBondContact O-N 3.15Å
351	F	91.6	Very high	88.3	Confident	34 Å²	34	47.6 Å²	47.6	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.7	178.4	-74	-93.3	0	0	0	112	F296 C315 L317 I332 I335 K336 F343 T349	F296-F351 HydrophobicContact CE2-CE1 4.28Å; F296-F351 AromaticContact CZ-CE1 3.69Å; F296-F351 HydrophobicContact CZ-CE1 3.69Å; F296-F351 AromaticContact CZ-CZ 3.92Å; F296-F351 HydrophobicContact CZ-CZ 3.92Å; C315-F351 HydrophobicContact CB-CD1 3.91Å; C315-F351 HydrophobicContact CB-CE1 3.96Å; C315-F351 CarbonylContact O-C 3.5Å; C315-F351 VanDerWaalsContact O-CA 3.27Å; C315-F351 WeakPolarHBondContact O-CA 3.48Å; L317-F351 HydrophobicContact CD1-CD1 3.78Å; L317-F351 HydrophobicContact CD1-CE1 4Å; L317-F351 HydrophobicContact CG-CD1 4.38Å; I332-F351 HydrophobicContact CD1-CB 4.39Å; I332-F351 HydrophobicContact CD1-CD1 4.26Å; I332-F351 HydrophobicContact CD1-CG 4.5Å; I332-F351 HydrophobicContact CG1-CD1 4.11Å; I332-F351 HydrophobicContact CG1-CE1 4.38Å; I332-F351 HydrophobicContact CG2-CB 4.32Å; I332-F351 HydrophobicContact CG2-CD1 4.06Å; I332-F351 HydrophobicContact CG2-CD2 3.83Å; I332-F351 HydrophobicContact CG2-CE1 4.27Å; I332-F351 HydrophobicContact CG2-CE2 4.07Å; I332-F351 HydrophobicContact CG2-CG 3.81Å; I332-F351 HydrophobicContact CG2-CZ 4.27Å; I335-F351 HydrophobicContact CB-CZ 4.44Å; I335-F351 HydrophobicContact CG2-CE1 4.44Å; I335-F351 HydrophobicContact CG2-CZ 3.73Å; K336-F351 HydrophobicContact CG-CE2 4.02Å; F343-F351 HydrophobicContact CE1-CD2 4.37Å; F343-F351 AromaticContact CE1-CE2 3.66Å; F343-F351 HydrophobicContact CE1-CE2 3.66Å; F343-F351 AromaticContact CE1-CZ 3.96Å; F343-F351 HydrophobicContact CE1-CZ 3.96Å; F343-F351 AromaticContact CE2-CE2 3.96Å; F343-F351 HydrophobicContact CE2-CE2 3.96Å; F343-F351 HydrophobicContact CE2-CZ 4.12Å; F343-F351 HydrophobicContact CZ-CD2 4.39Å; F343-F351 HydrophobicContact CZ-CE1 4.41Å; F343-F351 AromaticContact CZ-CE2 3.3Å; F343-F351 HydrophobicContact CZ-CE2 3.3Å; F343-F351 AromaticContact CZ-CZ 3.32Å; F343-F351 HydrophobicContact CZ-CZ 3.32Å; T349-F351 PolarHBondContact O-N 3.43Å
352	K	92.3	Very high	88.3	Confident	66 Å²	66	48.5 Å²	48.5	29%	0.287	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.8	163.7	-175.8	72.3	175.5	-156	0	108.8	V250 E254 N258 C315 C316 L317	V250-K352 HydrophobicContact CG2-CG 4.33Å; E254-K352 VanDerWaalsContact OE2-CE 3.24Å; E254-K352 WeakPolarHBondContact OE2-CE 3.46Å; E254-K352 IonicContact OE2-NZ 3.2Å; E254-K352 PolarHBondContact OE2-NZ 2.73Å; N258-K352 HydrophobicContact CB-CB 4.45Å; N258-K352 HydrophobicContact CB-CG 4.49Å; C315-K352 PolarHBondContact O-N 3.13Å; C316-K352 CarbonylContact C-O 3.58Å; C316-K352 WeakPolarHBondContact CA-O 3.41Å; C316-K352 HydrophobicContact CB-CB 4.4Å; L317-K352 PolarHBondContact N-O 3.16Å
353	V	93.5	Very high	88.3	Confident	20 Å²	20	44.6 Å²	44.6	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.4	-178.4	175.9	0	0	0	0	109.3	L248 L317 Y319 V328 I332 I355	L248-V353 VanDerWaalsContact CB-O 3.27Å; L248-V353 WeakPolarHBondContact CB-O 3.47Å; L248-V353 HydrophobicContact CD1-CB 4.25Å; L248-V353 HydrophobicContact CD1-CG1 4.06Å; L317-V353 WeakPolarHBondContact O-CA 3.12Å; Y319-V353 HydrophobicContact CD2-CG1 4.12Å; Y319-V353 HydrophobicContact CE2-CG1 4.24Å; V328-V353 HydrophobicContact CG1-CB 4.47Å; V328-V353 HydrophobicContact CG1-CG1 3.74Å; V328-V353 HydrophobicContact CG1-CG2 3.84Å; I332-V353 HydrophobicContact CD1-CG2 3.47Å; I332-V353 VanDerWaalsContact CD1-CG2 3.47Å; V353-I355 HydrophobicContact CG1-CD1 4.23Å; V353-I355 HydrophobicContact CG1-CG1 3.89Å
354	G	93.6	Very high	88.1	Confident	7 Å²	7	47.3 Å²	47.3	7%	0.072	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.8	163.8	0	0	0	0	0	110.5	L248 L317 Y319	L248-G354 WeakPolarHBondContact O-CA 3.45Å; L317-G354 PolarHBondContact O-N 3.17Å; Y319-G354 PolarHBondContact N-O 2.74Å
355	I	94.6	Very high	87.8	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.6	179.9	-57.6	173.3	0	0	0	109.2	G246 A247 Y319 V323 P325 V328 V353 Y357	G246-I355 CarbonylContact C-O 3.59Å; G246-I355 WeakPolarHBondContact CA-O 3.41Å; A247-I355 HydrophobicContact CB-CB 4.45Å; A247-I355 PolarHBondContact N-O 2.88Å; A247-I355 CarbonylContact O-C 3.44Å; A247-I355 PolarHBondContact O-N 2.83Å; Y319-I355 HydrophobicContact CD2-CG1 4.42Å; V323-I355 HydrophobicContact CB-CG2 4.27Å; P325-I355 HydrophobicContact CB-CD1 4.23Å; P325-I355 HydrophobicContact CG-CD1 3.83Å; V328-I355 HydrophobicContact CG2-CD1 4.12Å; V353-I355 HydrophobicContact CG1-CD1 4.23Å; V353-I355 HydrophobicContact CG1-CG1 3.89Å; I355-Y357 HydrophobicContact CG2-CD1 4.46Å; I355-Y357 HydrophobicContact CG2-CE1 4.34Å
356	N	92.7	Very high	87.8	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.027	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.4	172.8	-158.7	-80.6	0	0	0	110.7	A240 F244 Y319 R320 G321 Q358	A240-N356 HydrophobicContact CB-CB 4.15Å; A240-N356 PolarHBondContact O-ND2 2.92Å; F244-N356 WeakPolarHBondContact CB-ND2 3.48Å; F244-N356 WeakPolarHBondContact CB-OD1 3.34Å; F244-N356 PolarHBondContact O-ND2 3.22Å; Y319-N356 PolarHBondContact O-N 3.4Å; R320-N356 CarbonylContact C-O 3.47Å; R320-N356 WeakPolarHBondContact CA-O 3.36Å; G321-N356 PolarHBondContact N-O 3.4Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 3.08Å; N356-Q358 VanDerWaalsContact OD1-CB 3.26Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.45Å; N356-Q358 PolarHBondContact OD1-N 2.9Å
357	Y	91.5	Very high	88	Confident	141 Å²	141	46.8 Å²	46.8	55%	0.553	29%	0.285	S	S	*	.	S	Bend	trans	-76.1	-16.1	-177.7	-56	-43.7	0	0	0	113.5	I355 P359	I355-Y357 HydrophobicContact CG2-CD1 4.46Å; I355-Y357 HydrophobicContact CG2-CE1 4.34Å; Y357-P359 WeakPolarHBondContact O-CD 2.96Å
358	Q	91.8	Very high	88.6	Confident	76 Å²	76	46.7 Å²	46.7	36%	0.355	28%	0.283	S	S	.	.	S	Bend	trans	-76.7	118.4	177	-173.4	63.7	20.5	0	0	109.8	F244 R320 G321 N356	F244-Q358 HydrophobicContact CB-CB 4.26Å; F244-Q358 HydrophobicContact CD2-CB 4.13Å; F244-Q358 HydrophobicContact CD2-CG 4.27Å; F244-Q358 HydrophobicContact CE2-CG 4.34Å; F244-Q358 HydrophobicContact CG-CB 4.07Å; F244-Q358 HydrophobicContact CG-CG 4.38Å; R320-Q358 PolarHBondContact NE-O 2.84Å; R320-Q358 PolarHBondContact NH2-O 3.14Å; G321-Q358 PolarHBondContact N-O 2.99Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 3.08Å; N356-Q358 VanDerWaalsContact OD1-CB 3.26Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.45Å; N356-Q358 PolarHBondContact OD1-N 2.9Å
359	P	94.2	Very high	89.9	Confident	35 Å²	35	42.3 Å²	42.3	23%	0.227	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.8	160.1	174.1	28.2	-34.6	0	0	0	111	Y357 T361	Y357-P359 WeakPolarHBondContact O-CD 2.96Å; P359-T361 PolarHBondContact O-N 3.44Å
360	P	94.6	Very high	91.1	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.039	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-60	138	174.4	-19.7	31.6	0	0	0	111.6	Y272 R320 V371 A374	Y272-P360 WeakPolarHBondContact OH-CB 3.32Å; Y272-P360 WeakPolarHBondContact OH-CG 3.35Å; R320-P360 HydrophobicContact CB-CG 3.88Å; R320-P360 HydrophobicContact CG-CG 4.48Å; P360-V371 HydrophobicContact CB-CG2 4.47Å; P360-V371 HydrophobicContact CG-CG2 4.05Å; P360-A374 HydrophobicContact CG-CB 3.46Å; P360-A374 VanDerWaalsContact CG-CB 3.46Å
361	T	94.5	Very high	91.6	Very high	30 Å²	30	44.9 Å²	44.9	18%	0.184	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-91.2	145.7	170.6	-64.3	0	0	0	0	109.4	L23 L26 E27 Q233 P359	L23-T361 HydrophobicContact CD1-CG2 4.09Å; L23-T361 VanDerWaalsContact CD1-O 3.24Å; L23-T361 WeakPolarHBondContact CD1-O 3.39Å; L26-T361 HydrophobicContact CB-CG2 3.76Å; E27-T361 HydrophobicContact CG-CG2 4.25Å; E27-T361 WeakPolarHBondContact CG-OG1 3.3Å; Q233-T361 PolarHBondContact NE2-O 3.12Å; P359-T361 PolarHBondContact O-N 3.44Å
362	V	91.7	Very high	91.7	Very high	36 Å²	36	49 Å²	49	22%	0.218	28%	0.276	C	S	.	.			trans	-116.5	146.9	174.9	-65.3	0	0	0	0	110	L368 A369 K370	V362-L368 HydrophobicContact CG1-CB 3.95Å; V362-A369 WeakPolarHBondContact CG1-O 3.23Å; V362-K370 HydrophobicContact CG2-CB 4.08Å
363	V	92	Very high	91.8	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.115	27%	0.273	C	S	.	.			trans	-69.2	128.1	174.3	-178.4	0	0	0	0	108.7	E22 L26 G365 G366	E22-V363 HydrophobicContact CG-CG1 4.41Å; E22-V363 HydrophobicContact CG-CG2 4.05Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.41Å; L26-V363 HydrophobicContact CD1-CG2 3.98Å; V363-G365 PolarHBondContact O-N 3.2Å; V363-G366 WeakPolarHBondContact O-CA 3.37Å; V363-G366 PolarHBondContact O-N 3.49Å
364	P	88.9	Confident	92	Very high	104 Å²	104	47.9 Å²	47.9	68%	0.675	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.3	175.8	-26.4	34.9	0	0	0	111.9	G366	P364-G366 PolarHBondContact O-N 2.96Å
365	G	85.5	Confident	92.2	Very high	89 Å²	89	47.5 Å²	47.5	92%	0.918	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	8.8	-175.2	0	0	0	0	0	114.7	V363	V363-G365 PolarHBondContact O-N 3.2Å
366	G	86.1	Confident	92.3	Very high	20 Å²	20	47.4 Å²	47.4	21%	0.206	26%	0.263	C	S	.	.			trans	-77.9	174.3	172.5	0	0	0	0	0	113.4	V363 P364	V363-G366 WeakPolarHBondContact O-CA 3.37Å; V363-G366 PolarHBondContact O-N 3.49Å; P364-G366 PolarHBondContact O-N 2.96Å
367	D	88.4	Confident	92.5	Very high	49 Å²	49	47.2 Å²	47.2	26%	0.262	26%	0.262	S	S	.	.	S	Bend	trans	-83.1	-18.6	-171.4	-43.5	-83.2	0	0	0	113.8	L217 I219 N226 R229	L217-D367 HydrophobicContact CD1-CB 4.16Å; I219-D367 HydrophobicContact CD1-CB 3.85Å; N226-D367 PolarHBondContact ND2-OD1 2.8Å; N226-D367 PolarHBondContact ND2-OD2 3.36Å; R229-D367 IonicContact NH1-OD2 3.51Å; R229-D367 PolarHBondContact NH1-OD2 2.91Å
368	L	91.5	Very high	92.7	Very high	23 Å²	23	40.5 Å²	40.5	12%	0.12	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-85.8	136.1	-177.6	-69.8	168.1	0	0	0	111.3	L217 L230 Q233 I275 V362	L217-L368 HydrophobicContact CD1-CD2 4.33Å; L217-L368 HydrophobicContact CD2-CD2 3.91Å; L230-L368 HydrophobicContact CD2-CD1 4.19Å; L230-L368 HydrophobicContact CD2-CD2 3.84Å; L230-L368 HydrophobicContact CD2-CG 4.45Å; Q233-L368 HydrophobicContact CG-CD1 3.71Å; I275-L368 HydrophobicContact CG2-CD2 4.35Å; V362-L368 HydrophobicContact CG1-CB 3.95Å
369	A	91	Very high	92.9	Very high	7 Å²	7	36.9 Å²	36.9	6%	0.058	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-69.2	148.2	170.2	0	0	0	0	0	111.9	I276 A281 V362 V371	I276-A369 HydrophobicContact CG2-CB 3.89Å; I276-A369 PolarHBondContact O-N 3.17Å; A281-A369 HydrophobicContact CB-CB 3.4Å; V362-A369 WeakPolarHBondContact CG1-O 3.23Å; A369-V371 PolarHBondContact O-N 3.37Å
370	K	91.4	Very high	93	Very high	162 Å²	162	35.2 Å²	35.2	70%	0.704	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-69.2	120.7	166.3	-171.9	177.1	-176.1	176.2	0	109.3	V362	V362-K370 HydrophobicContact CG2-CB 4.08Å
371	V	93.1	Very high	93	Very high	12 Å²	12	35 Å²	35	7%	0.073	21%	0.206	C	C	.	.			trans	-118.6	150.7	179.9	-64.4	0	0	0	0	111.2	P274 I276 L286 P360 A369 R373 A374	P274-V371 HydrophobicContact CG-CG1 4.03Å; I276-V371 HydrophobicContact CG2-CG1 4.08Å; L286-V371 HydrophobicContact CD1-CB 4.47Å; L286-V371 HydrophobicContact CD1-CG1 3.88Å; P360-V371 HydrophobicContact CB-CG2 4.47Å; P360-V371 HydrophobicContact CG-CG2 4.05Å; A369-V371 PolarHBondContact O-N 3.37Å; V371-R373 WeakPolarHBondContact CG2-O 3.22Å; V371-A374 HydrophobicContact CG2-CB 4.44Å
372	Q	92.8	Very high	93.1	Very high	121 Å²	121	33.7 Å²	33.7	57%	0.565	20%	0.199	S	C	*	.	S	Bend	trans	-83.6	-16.2	177.8	-63.1	-58.9	-33.4	0	0	112.9	G321 D322	G321-Q372 WeakPolarHBondContact CA-O 3.25Å; D322-Q372 PolarHBondContact N-O 3.28Å
373	R	95.3	Very high	93.2	Very high	61 Å²	61	32 Å²	32	23%	0.23	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.3	176.7	63.9	-175.4	76.4	115.2	-4.9	112	L286 I291 R320 D322 V323 V371	L286-R373 VanDerWaalsContact O-CD 3.24Å; L286-R373 WeakPolarHBondContact O-CD 3.45Å; L286-R373 PolarHBondContact O-NH1 3.42Å; I291-R373 HydrophobicContact CD1-CG 4.17Å; R320-R373 CarbonylContact O-C 3.57Å; R320-R373 WeakPolarHBondContact O-CA 3.4Å; D322-R373 WeakPolarHBondContact O-CD 3.41Å; D322-R373 PolarHBondContact O-NE 2.96Å; D322-R373 IonicContact OD2-CZ 3.8Å; D322-R373 IonicContact OD2-NH2 2.72Å; D322-R373 PolarHBondContact OD2-NH2 3.42Å; V323-R373 HydrophobicContact CG2-CB 3.83Å; V371-R373 WeakPolarHBondContact CG2-O 3.22Å
374	A	96.7	Very high	93.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	170.1	170.8	0	0	0	0	0	110.2	Y272 A273 Y319 R320 P360 V371	Y272-A374 HydrophobicContact CE1-CB 4.15Å; Y272-A374 HydrophobicContact CE2-CB 4.27Å; Y272-A374 VanDerWaalsContact OH-CB 3.31Å; Y272-A374 WeakPolarHBondContact OH-CB 3.44Å; A273-A374 CarbonylContact O-C 3.56Å; A273-A374 VanDerWaalsContact O-CA 3.25Å; A273-A374 WeakPolarHBondContact O-CA 3.38Å; A273-A374 WeakPolarHBondContact O-CB 3.45Å; Y319-A374 CarbonylContact C-O 3.5Å; Y319-A374 WeakPolarHBondContact CA-O 3.49Å; R320-A374 PolarHBondContact N-O 2.9Å; R320-A374 PolarHBondContact O-N 3.2Å; P360-A374 HydrophobicContact CG-CB 3.46Å; P360-A374 VanDerWaalsContact CG-CB 3.46Å; V371-A374 HydrophobicContact CG2-CB 4.44Å
375	V	97.5	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.7	174.3	57.4	0	0	0	0	109.4	A273 I291 C295 L317 L318 Y319	A273-V375 HydrophobicContact CB-CG1 4.17Å; A273-V375 PolarHBondContact N-O 2.61Å; A273-V375 PolarHBondContact O-N 3.18Å; I291-V375 HydrophobicContact CB-CG1 3.89Å; I291-V375 HydrophobicContact CD1-CB 4.3Å; I291-V375 HydrophobicContact CD1-CG1 3.99Å; I291-V375 HydrophobicContact CG1-CB 4.48Å; I291-V375 HydrophobicContact CG1-CG1 3.7Å; C295-V375 VanDerWaalsContact SG-CG1 3.56Å; L317-V375 HydrophobicContact CB-CG2 4.23Å; L317-V375 HydrophobicContact CD2-CG2 4Å; L318-V375 WeakPolarHBondContact O-CA 3.42Å; Y319-V375 HydrophobicContact CD1-CB 3.63Å; Y319-V375 HydrophobicContact CD1-CG2 3.84Å; Y319-V375 HydrophobicContact CD2-CG2 4.35Å; Y319-V375 HydrophobicContact CE1-CB 3.66Å; Y319-V375 HydrophobicContact CE1-CG1 4.27Å; Y319-V375 HydrophobicContact CE1-CG2 3.68Å; Y319-V375 HydrophobicContact CE2-CG2 4.21Å; Y319-V375 HydrophobicContact CG-CB 4.31Å; Y319-V375 HydrophobicContact CG-CG2 4.18Å
376	C	97.3	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.5	165.1	179.5	0	0	0	0	107.9	T271 Y272 L318	T271-C376 CarbonylContact O-C 3.5Å; T271-C376 WeakPolarHBondContact O-CA 3.34Å; Y272-C376 HydrophobicContact CD2-CB 3.99Å; Y272-C376 HydrophobicContact CE2-CB 4.46Å; L318-C376 HydrophobicContact CB-CB 4.25Å; L318-C376 PolarHBondContact N-O 2.97Å; L318-C376 PolarHBondContact O-N 3.45Å
377	M	97.2	Very high	94.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.5	173.5	-174.1	175.9	78	0	0	109.7	T271 C295 F296 Y312 C316 L317	T271-M377 PolarHBondContact N-O 2.89Å; T271-M377 PolarHBondContact O-N 2.97Å; C295-M377 HydrophobicContact CB-CB 3.85Å; C295-M377 HydrophobicContact CB-CE 4.15Å; C295-M377 HydrophobicContact CB-SD 3.92Å; C295-M377 WeakPolarHBondContact O-CE 3.22Å; F296-M377 HydrophobicContact CD1-CE 4.34Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.09Å; F296-M377 HydrophobicContact CE1-CE 4.29Å; F296-M377 HydrophobicContact CE1-SD 3.79Å; F296-M377 HydrophobicContact CE2-SD 3.56Å; F296-M377 VanDerWaalsContact CE2-SD 3.56Å; F296-M377 HydrophobicContact CG-SD 4.42Å; F296-M377 HydrophobicContact CZ-CE 4.44Å; F296-M377 HydrophobicContact CZ-SD 3.38Å; F296-M377 WeakPolarHBondContact CZ-SD 3.25Å; Y312-M377 HydrophobicContact CE1-CE 4.49Å; C316-M377 WeakPolarHBondContact O-CA 3.38Å; L317-M377 HydrophobicContact CD2-CB 3.87Å; L317-M377 HydrophobicContact CD2-CG 3.74Å; L317-M377 HydrophobicContact CD2-SD 4Å
378	L	96.3	Very high	94.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.7	167.5	-49.1	171.5	0	0	0	106.6	F202 I238 F255 L259 L269 T270 C315 C316 L318	F202-L378 HydrophobicContact CD1-CD1 4.29Å; F202-L378 HydrophobicContact CD1-CD2 3.96Å; F202-L378 HydrophobicContact CE1-CD1 3.66Å; F202-L378 HydrophobicContact CE1-CD2 4.2Å; F202-L378 HydrophobicContact CE1-CG 4.34Å; F202-L378 HydrophobicContact CZ-CD1 4.08Å; I238-L378 HydrophobicContact CD1-CD1 3.85Å; I238-L378 HydrophobicContact CD1-CD2 3.54Å; I238-L378 HydrophobicContact CD1-CG 4.28Å; I238-L378 HydrophobicContact CG1-CD1 4.02Å; I238-L378 HydrophobicContact CG1-CD2 4.1Å; F255-L378 HydrophobicContact CD1-CD1 3.75Å; F255-L378 HydrophobicContact CE1-CD1 3.48Å; F255-L378 VanDerWaalsContact CE1-CD1 3.48Å; F255-L378 HydrophobicContact CZ-CD1 4.31Å; L259-L378 HydrophobicContact CD1-CB 3.76Å; L259-L378 HydrophobicContact CD1-CD1 4.02Å; L259-L378 HydrophobicContact CD2-CB 4.42Å; L259-L378 WeakPolarHBondContact CD2-O 3.2Å; L269-L378 WeakPolarHBondContact O-CA 3.19Å; T270-L378 HydrophobicContact CG2-CD2 3.85Å; C315-L378 CarbonylContact C-O 3.58Å; C315-L378 WeakPolarHBondContact CA-O 3.24Å; C316-L378 HydrophobicContact CB-CB 4.25Å; C316-L378 PolarHBondContact N-O 3.14Å; C316-L378 PolarHBondContact O-N 3.38Å; L318-L378 HydrophobicContact CD1-CD1 3.99Å; L318-L378 HydrophobicContact CD1-CG 4.47Å
379	S	95.5	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	119.8	-174.4	59.6	0	0	0	0	111.7	P268 L269 A314	P268-S379 WeakPolarHBondContact CA-O 3.37Å; L269-S379 PolarHBondContact N-O 3.48Å; L269-S379 PolarHBondContact O-N 3.06Å; A314-S379 CarbonylContact O-C 3.37Å; A314-S379 VanDerWaalsContact O-CA 3.26Å; A314-S379 WeakPolarHBondContact O-CA 3.2Å
380	N	95.3	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.3	169	-159.2	-9.7	0	0	0	108.3	L259 I265 P268 M313 A314	L259-N380 VanDerWaalsContact O-CB 3.25Å; L259-N380 WeakPolarHBondContact O-CB 3.48Å; L259-N380 PolarHBondContact O-ND2 3.22Å; I265-N380 PolarHBondContact O-ND2 3.5Å; P268-N380 HydrophobicContact CG-CB 4.46Å; M313-N380 HydrophobicContact CE-CB 4.22Å; M313-N380 WeakPolarHBondContact CE-OD1 3.39Å; M313-N380 PolarHBondContact N-O 3.09Å; A314-N380 PolarHBondContact N-O 3.38Å; A314-N380 PolarHBondContact O-N 2.92Å
381	T	95.3	Very high	95.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.1	-174.4	173.6	0	0	0	0	110	L269 K311 Y312 A383 I384	L269-T381 HydrophobicContact CD1-CG2 3.32Å; L269-T381 HydrophobicContact CG-CG2 3.68Å; K311-T381 WeakPolarHBondContact O-CA 3.35Å; K311-T381 PolarHBondContact O-OG1 2.81Å; Y312-T381 HydrophobicContact CE1-CG2 4.46Å; T381-A383 HydrophobicContact CG2-CB 4.13Å; T381-A383 PolarHBondContact O-N 2.67Å; T381-A383 PolarHBondContact OG1-N 2.83Å; T381-I384 VanDerWaalsContact O-CG2 3.28Å; T381-I384 WeakPolarHBondContact O-CG2 3.49Å; T381-I384 PolarHBondContact O-N 3.23Å
382	T	95.6	Very high	95.2	Very high	4 Å²	4	18 Å²	18	3%	0.025	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-68.1	-12.3	177.3	63.5	0	0	0	0	112.9	G310 K311 M313 I384 S385 Y432 V435 A436	G310-T382 WeakPolarHBondContact CA-OG1 3.34Å; K311-T382 PolarHBondContact N-OG1 3.09Å; K311-T382 PolarHBondContact O-N 3.11Å; M313-T382 HydrophobicContact CE-CG2 3.99Å; M313-T382 HydrophobicContact CG-CG2 4.49Å; M313-T382 HydrophobicContact SD-CG2 4.33Å; T382-I384 PolarHBondContact O-N 3.28Å; T382-I384 VanDerWaalsContact O-N 3.17Å; T382-S385 VanDerWaalsContact O-CB 3.29Å; T382-S385 WeakPolarHBondContact O-CB 3.43Å; T382-S385 PolarHBondContact O-N 2.96Å; T382-S385 VanDerWaalsContact O-N 3.09Å; T382-S385 PolarHBondContact O-OG 2.92Å; T382-Y432 HydrophobicContact CG2-CD1 4.39Å; T382-Y432 WeakPolarHBondContact CG2-O 3.39Å; T382-V435 HydrophobicContact CG2-CB 4.43Å; T382-V435 HydrophobicContact CG2-CG1 4.21Å; T382-A436 HydrophobicContact CG2-CB 3.9Å
383	A	95.5	Very high	95.3	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-62.1	-19.5	174.7	0	0	0	0	0	113.8	C305 D306 T381 S385 E386	C305-A383 WeakPolarHBondContact CB-O 3.24Å; D306-A383 WeakPolarHBondContact O-CB 3.38Å; T381-A383 HydrophobicContact CG2-CB 4.13Å; T381-A383 PolarHBondContact O-N 2.67Å; T381-A383 PolarHBondContact OG1-N 2.83Å; A383-S385 PolarHBondContact O-N 3.46Å; A383-E386 PolarHBondContact O-N 3.49Å
384	I	95.4	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-63.2	-21.5	174.1	-168.9	66	0	0	0	112.4	L269 V303 T381 T382 E386 A387 W388 Y432	L269-I384 HydrophobicContact CD2-CB 4.34Å; L269-I384 HydrophobicContact CD2-CD1 3.59Å; L269-I384 HydrophobicContact CD2-CG1 4.36Å; V303-I384 HydrophobicContact CG1-CD1 4.12Å; T381-I384 VanDerWaalsContact O-CG2 3.28Å; T381-I384 WeakPolarHBondContact O-CG2 3.49Å; T381-I384 PolarHBondContact O-N 3.23Å; T382-I384 PolarHBondContact O-N 3.28Å; T382-I384 VanDerWaalsContact O-N 3.17Å; I384-E386 PolarHBondContact O-N 3.3Å; I384-E386 VanDerWaalsContact O-N 3.15Å; I384-A387 HydrophobicContact CD1-CB 3.89Å; I384-A387 WeakPolarHBondContact O-CA 3.45Å; I384-A387 VanDerWaalsContact O-CB 3.27Å; I384-A387 WeakPolarHBondContact O-CB 3.26Å; I384-A387 PolarHBondContact O-N 2.82Å; I384-W388 HydrophobicContact CD1-CZ2 4.3Å; I384-W388 HydrophobicContact CG1-CZ2 3.6Å; I384-W388 PolarHBondContact O-N 2.84Å; I384-Y432 HydrophobicContact CG2-CD1 3.86Å; I384-Y432 HydrophobicContact CG2-CD2 4.21Å; I384-Y432 HydrophobicContact CG2-CE1 3.34Å; I384-Y432 HydrophobicContact CG2-CE2 3.81Å; I384-Y432 HydrophobicContact CG2-CG 4.25Å
385	S	94.4	Very high	95.3	Very high	25 Å²	25	21 Å²	21	18%	0.175	10%	0.096	C	C	.	.	H	α-helix	trans	-51.8	-34.9	172.7	58.4	0	0	0	0	113.1	T382 A383 A387 W388 A389	T382-S385 VanDerWaalsContact O-CB 3.29Å; T382-S385 WeakPolarHBondContact O-CB 3.43Å; T382-S385 PolarHBondContact O-N 2.96Å; T382-S385 VanDerWaalsContact O-N 3.09Å; T382-S385 PolarHBondContact O-OG 2.92Å; A383-S385 PolarHBondContact O-N 3.46Å; S385-A387 PolarHBondContact O-N 3.09Å; S385-W388 PolarHBondContact O-N 3.19Å; S385-W388 VanDerWaalsContact O-N 3.15Å; S385-A389 WeakPolarHBondContact O-CB 3.41Å; S385-A389 PolarHBondContact O-N 3.39Å
386	E	93.3	Very high	95.2	Very high	62 Å²	62	24 Å²	24	29%	0.29	11%	0.113	S	C	.	.	H	α-helix	trans	-60.8	-33.1	175.4	-62	-173.6	155.3	0	0	113	C305 D306 N309 A383 I384 R390	C305-E386 WeakPolarHBondContact CA-OE2 3.27Å; C305-E386 HydrophobicContact CB-CB 4.4Å; D306-E386 PolarHBondContact N-OE2 3.48Å; D306-E386 VanDerWaalsContact N-OE2 3.1Å; N309-E386 WeakPolarHBondContact CB-OE1 3.45Å; N309-E386 PolarHBondContact ND2-OE1 2.61Å; A383-E386 PolarHBondContact O-N 3.49Å; I384-E386 PolarHBondContact O-N 3.3Å; I384-E386 VanDerWaalsContact O-N 3.15Å; E386-R390 WeakPolarHBondContact O-CB 3.48Å; E386-R390 PolarHBondContact O-N 3.06Å; E386-R390 PolarHBondContact O-NH1 3.24Å
387	A	93.6	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71.6	-42.8	176.8	0	0	0	0	0	110.6	Y172 I384 S385 R390 L391	Y172-A387 HydrophobicContact CE1-CB 3.96Å; I384-A387 HydrophobicContact CD1-CB 3.89Å; I384-A387 WeakPolarHBondContact O-CA 3.45Å; I384-A387 VanDerWaalsContact O-CB 3.27Å; I384-A387 WeakPolarHBondContact O-CB 3.26Å; I384-A387 PolarHBondContact O-N 2.82Å; S385-A387 PolarHBondContact O-N 3.09Å; A387-R390 PolarHBondContact O-N 2.88Å; A387-L391 PolarHBondContact O-N 3.46Å
388	W	94.7	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-50.2	175.7	-50.5	140.1	0	0	0	111.9	Y172 T191 M203 F267 I384 S385 R390 L391 N392 L425 Y432	Y172-W388 HydrophobicContact CD2-CZ3 4.28Å; Y172-W388 HydrophobicContact CE1-CZ3 4.28Å; Y172-W388 HydrophobicContact CE2-CE3 4.13Å; Y172-W388 AromaticContact CE2-CH2 3.85Å; Y172-W388 HydrophobicContact CE2-CH2 3.85Å; Y172-W388 AromaticContact CE2-CZ3 3.25Å; Y172-W388 HydrophobicContact CE2-CZ3 3.25Å; Y172-W388 AromaticContact CZ-CE3 3.65Å; Y172-W388 AromaticContact CZ-CZ3 3.23Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.42Å; T191-W388 HydrophobicContact CG2-CZ3 4.44Å; M203-W388 HydrophobicContact CE-CH2 3.82Å; F267-W388 HydrophobicContact CB-CZ2 3.9Å; F267-W388 AromaticContact CD1-CH2 3.86Å; F267-W388 HydrophobicContact CD1-CH2 3.86Å; F267-W388 AromaticContact CD1-CZ2 3.97Å; F267-W388 HydrophobicContact CD1-CZ2 3.97Å; F267-W388 HydrophobicContact CD2-CH2 4.43Å; F267-W388 AromaticContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CE1-CH2 4.12Å; F267-W388 HydrophobicContact CE1-CZ2 4.48Å; F267-W388 HydrophobicContact CE2-CZ2 4.38Å; F267-W388 HydrophobicContact CG-CH2 4.02Å; F267-W388 AromaticContact CG-CZ2 3.63Å; F267-W388 HydrophobicContact CG-CZ2 3.63Å; I384-W388 HydrophobicContact CD1-CZ2 4.3Å; I384-W388 HydrophobicContact CG1-CZ2 3.6Å; I384-W388 PolarHBondContact O-N 2.84Å; S385-W388 PolarHBondContact O-N 3.19Å; S385-W388 VanDerWaalsContact O-N 3.15Å; W388-R390 VanDerWaalsContact C-N 3.26Å; W388-R390 PolarHBondContact O-N 3.4Å; W388-L391 WeakPolarHBondContact O-CB 3.39Å; W388-L391 PolarHBondContact O-N 2.91Å; W388-N392 WeakPolarHBondContact O-CB 3.22Å; W388-N392 PolarHBondContact O-N 2.92Å; W388-L425 HydrophobicContact CD2-CD1 4.23Å; W388-L425 HydrophobicContact CE3-CD1 3.91Å; W388-L425 HydrophobicContact CG-CD1 4.46Å; W388-L425 HydrophobicContact CZ3-CD1 4.47Å; W388-Y432 AromaticContact CD1-CD2 3.91Å; W388-Y432 AromaticContact NE1-CD2 3.76Å; W388-Y432 AromaticContact NE1-CE2 3.38Å
389	A	94.6	Very high	95.1	Very high	36 Å²	36	33 Å²	33	30%	0.298	16%	0.156	S	C	.	.	H	α-helix	trans	-56.3	-41.3	178.8	0	0	0	0	0	112.1	S385 R393 E429	S385-A389 WeakPolarHBondContact O-CB 3.41Å; S385-A389 PolarHBondContact O-N 3.39Å; A389-R393 WeakPolarHBondContact O-CB 3.28Å; A389-R393 PolarHBondContact O-N 3.17Å; A389-E429 WeakPolarHBondContact CB-OE1 3.5Å
390	R	93.4	Very high	95.2	Very high	59 Å²	59	37.1 Å²	37.1	22%	0.223	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-42.2	176.6	-179.7	174.7	61.5	-111.9	12.5	112	K304 E386 A387 W388 K394	K304-R390 PolarHBondContact O-NH1 3.15Å; K304-R390 PolarHBondContact O-NH2 2.78Å; K304-R390 VanDerWaalsContact O-NH2 3.08Å; E386-R390 WeakPolarHBondContact O-CB 3.48Å; E386-R390 PolarHBondContact O-N 3.06Å; E386-R390 PolarHBondContact O-NH1 3.24Å; A387-R390 PolarHBondContact O-N 2.88Å; W388-R390 VanDerWaalsContact C-N 3.26Å; W388-R390 PolarHBondContact O-N 3.4Å; R390-K394 PolarHBondContact O-N 3.47Å
391	L	94	Very high	95.2	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-49.2	176.6	-179.3	62.6	0	0	0	110.8	Y172 P184 I188 A387 W388 R393 K394 F395 L425	Y172-L391 HydrophobicContact CE2-CD2 4.46Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.15Å; P184-L391 HydrophobicContact CB-CD1 3.99Å; I188-L391 HydrophobicContact CD1-CG 4.22Å; I188-L391 HydrophobicContact CG1-CD1 4.42Å; I188-L391 HydrophobicContact CG1-CD2 3.64Å; I188-L391 HydrophobicContact CG1-CG 3.73Å; A387-L391 PolarHBondContact O-N 3.46Å; W388-L391 WeakPolarHBondContact O-CB 3.39Å; W388-L391 PolarHBondContact O-N 2.91Å; L391-R393 VanDerWaalsContact C-N 3.33Å; L391-R393 PolarHBondContact O-N 3.16Å; L391-K394 PolarHBondContact O-N 2.91Å; L391-K394 VanDerWaalsContact O-N 3.08Å; L391-F395 PolarHBondContact O-N 3.33Å; L391-L425 HydrophobicContact CD2-CD2 3.86Å; L391-L425 HydrophobicContact CG-CD2 4.4Å
392	N	95.4	Very high	95.3	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-51.9	-49.1	175.6	-81.8	-20.4	0	0	0	111.6	W388 K394 F395 D396 R422 L425 E429	W388-N392 WeakPolarHBondContact O-CB 3.22Å; W388-N392 PolarHBondContact O-N 2.92Å; N392-K394 PolarHBondContact O-N 3.27Å; N392-F395 WeakPolarHBondContact O-CB 3.14Å; N392-F395 PolarHBondContact O-N 3.44Å; N392-D396 PolarHBondContact O-N 3.11Å; N392-R422 VanDerWaalsContact CG-CZ 3.46Å; N392-R422 VanDerWaalsContact CG-NH1 3.27Å; N392-R422 PolarHBondContact ND2-NH1 3.47Å; N392-R422 PolarHBondContact OD1-NH1 3.25Å; N392-L425 VanDerWaalsContact OD1-CD2 3.32Å; N392-L425 WeakPolarHBondContact OD1-CD2 3.33Å; N392-E429 PolarHBondContact ND2-OE2 3.19Å
393	R	95.2	Very high	95.3	Very high	183 Å²	183	53.8 Å²	53.8	69%	0.691	26%	0.264	S	S	*	.	H	α-helix	trans	-61	-42.5	177.1	-177.2	-179.9	175.4	-177	0.4	113	A389 L391 D396 L397	A389-R393 WeakPolarHBondContact O-CB 3.28Å; A389-R393 PolarHBondContact O-N 3.17Å; L391-R393 VanDerWaalsContact C-N 3.33Å; L391-R393 PolarHBondContact O-N 3.16Å; R393-D396 PolarHBondContact O-N 3.29Å; R393-L397 HydrophobicContact CG-CD1 4.43Å; R393-L397 VanDerWaalsContact O-CG 3.31Å; R393-L397 WeakPolarHBondContact O-CG 3.31Å; R393-L397 PolarHBondContact O-N 3.18Å
394	K	94.6	Very high	95.3	Very high	60 Å²	60	56.6 Å²	56.6	26%	0.261	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-43.3	178	-74.6	-178.6	178.4	-176.9	0	110.6	A174 P175 P184 R390 L391 N392 M398	A174-K394 PolarHBondContact O-NZ 3.39Å; A174-K394 VanDerWaalsContact O-NZ 3.14Å; P175-K394 PolarHBondContact O-NZ 3Å; P184-K394 HydrophobicContact CB-CB 4.09Å; P184-K394 HydrophobicContact CG-CB 3.83Å; P184-K394 HydrophobicContact CG-CD 4.31Å; R390-K394 PolarHBondContact O-N 3.47Å; L391-K394 PolarHBondContact O-N 2.91Å; L391-K394 VanDerWaalsContact O-N 3.08Å; N392-K394 PolarHBondContact O-N 3.27Å; K394-M398 WeakPolarHBondContact O-CG 3.38Å; K394-M398 PolarHBondContact O-N 2.9Å
395	F	96.1	Very high	95.4	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-52.5	174.5	177.8	-80.5	0	0	0	111.4	Y185 I188 L391 N392 L397 M398 Y399 F418 R422	Y185-F395 AromaticContact CD1-CD2 3.36Å; Y185-F395 HydrophobicContact CD1-CD2 3.36Å; Y185-F395 AromaticContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CE2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CG 4.23Å; Y185-F395 HydrophobicContact CD1-CZ 4.39Å; Y185-F395 AromaticContact CE1-CD2 3.77Å; Y185-F395 HydrophobicContact CE1-CD2 3.77Å; Y185-F395 AromaticContact CE1-CE2 3.8Å; Y185-F395 HydrophobicContact CE1-CE2 3.8Å; Y185-F395 HydrophobicContact CE1-CG 4.28Å; Y185-F395 HydrophobicContact CE1-CZ 4.32Å; Y185-F395 HydrophobicContact CG-CE2 4.5Å; I188-F395 HydrophobicContact CB-CD2 4.11Å; I188-F395 HydrophobicContact CB-CE2 4.4Å; I188-F395 HydrophobicContact CD1-CB 3.44Å; I188-F395 VanDerWaalsContact CD1-CB 3.44Å; I188-F395 HydrophobicContact CD1-CD1 4.31Å; I188-F395 HydrophobicContact CD1-CD2 3.49Å; I188-F395 VanDerWaalsContact CD1-CD2 3.49Å; I188-F395 HydrophobicContact CD1-CE2 4.3Å; I188-F395 HydrophobicContact CD1-CG 3.51Å; I188-F395 HydrophobicContact CG1-CB 4.4Å; I188-F395 HydrophobicContact CG1-CD2 4.01Å; I188-F395 HydrophobicContact CG1-CG 4.47Å; I188-F395 HydrophobicContact CG2-CD2 4.4Å; I188-F395 HydrophobicContact CG2-CE2 4.33Å; L391-F395 PolarHBondContact O-N 3.33Å; N392-F395 WeakPolarHBondContact O-CB 3.14Å; N392-F395 PolarHBondContact O-N 3.44Å; F395-L397 VanDerWaalsContact C-N 3.29Å; F395-L397 PolarHBondContact O-N 2.93Å; F395-M398 WeakPolarHBondContact O-CB 3.35Å; F395-M398 PolarHBondContact O-N 3.31Å; F395-Y399 HydrophobicContact CE1-CD1 4.26Å; F395-Y399 HydrophobicContact CE1-CD2 4.39Å; F395-Y399 AromaticContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CZ-CD2 4.22Å; F395-Y399 HydrophobicContact CZ-CG 4.18Å; F395-Y399 WeakPolarHBondContact O-CB 3.47Å; F395-Y399 PolarHBondContact O-N 3.28Å; F395-F418 AromaticContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CZ-CB 4.1Å; F395-F418 HydrophobicContact CZ-CD1 4.02Å; F395-F418 WeakPolarHBondContact CZ-O 3.39Å; F395-R422 HydrophobicContact CD1-CB 4.23Å; F395-R422 HydrophobicContact CD1-CG 3.89Å; F395-R422 HydrophobicContact CE1-CB 3.67Å; F395-R422 HydrophobicContact CE1-CG 3.7Å; F395-R422 HydrophobicContact CZ-CB 3.94Å; F395-R422 HydrophobicContact CZ-CG 4.45Å
396	D	97.3	Very high	95.5	Very high	64 Å²	64	61.4 Å²	61.4	34%	0.342	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-41.5	-175.5	-67.1	-21.6	0	0	0	111.6	N392 R393 M398 Y399 A400 R422	N392-D396 PolarHBondContact O-N 3.11Å; R393-D396 PolarHBondContact O-N 3.29Å; D396-M398 VanDerWaalsContact C-N 3.3Å; D396-M398 PolarHBondContact O-N 3.17Å; D396-Y399 PolarHBondContact O-N 3.07Å; D396-A400 WeakPolarHBondContact O-CB 3.5Å; D396-A400 PolarHBondContact O-N 3.38Å; D396-R422 IonicContact OD1-CZ 3.97Å; D396-R422 IonicContact OD1-NE 3.34Å; D396-R422 PolarHBondContact OD1-NE 3.02Å; D396-R422 IonicContact OD1-NH2 3.57Å; D396-R422 IonicContact OD2-CZ 2.68Å; D396-R422 IonicContact OD2-NE 2.75Å; D396-R422 IonicContact OD2-NH2 3.37Å; D396-R422 PolarHBondContact OD2-NH2 2.69Å
397	L	95.7	Very high	95.7	Very high	108 Å²	108	64.8 Å²	64.8	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-62.5	-36.2	176.8	-71.7	172.5	0	0	0	113	R393 F395	R393-L397 HydrophobicContact CG-CD1 4.43Å; R393-L397 VanDerWaalsContact O-CG 3.31Å; R393-L397 WeakPolarHBondContact O-CG 3.31Å; R393-L397 PolarHBondContact O-N 3.18Å; F395-L397 VanDerWaalsContact C-N 3.29Å; F395-L397 PolarHBondContact O-N 2.93Å
398	M	95.4	Very high	95.9	Very high	27 Å²	27	64.8 Å²	64.8	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-76.7	-46.3	178	-68.4	-179	60.3	0	0	111.4	V181 V182 P184 Y185 K394 F395 D396 K401 R402 A403 F404	V181-M398 VanDerWaalsContact O-CE 3.29Å; V181-M398 WeakPolarHBondContact O-CE 3.4Å; V182-M398 HydrophobicContact CG1-CE 4.5Å; P184-M398 HydrophobicContact CB-SD 4.15Å; P184-M398 HydrophobicContact CG-SD 3.79Å; Y185-M398 HydrophobicContact CD2-CE 4.43Å; Y185-M398 HydrophobicContact CE1-CB 3.92Å; Y185-M398 HydrophobicContact CE2-CE 4.18Å; Y185-M398 PolarHBondContact OH-O 2.91Å; K394-M398 WeakPolarHBondContact O-CG 3.38Å; K394-M398 PolarHBondContact O-N 2.9Å; F395-M398 WeakPolarHBondContact O-CB 3.35Å; F395-M398 PolarHBondContact O-N 3.31Å; D396-M398 VanDerWaalsContact C-N 3.3Å; D396-M398 PolarHBondContact O-N 3.17Å; M398-K401 PolarHBondContact O-N 3.22Å; M398-R402 PolarHBondContact O-N 3.27Å; M398-A403 PolarHBondContact O-N 3.17Å; M398-F404 HydrophobicContact CE-CD2 3.86Å; M398-F404 HydrophobicContact CE-CE2 4.34Å
399	Y	96.9	Very high	96	Very high	53 Å²	53	67.6 Å²	67.6	21%	0.208	32%	0.323	C	S	.	.	H	α-helix	trans	-69.3	-38.1	-175.1	-167.5	-108.5	0	0	0	112.1	Y185 F395 D396 K401 R402 V405 F418 S419	Y185-Y399 HydrophobicContact CE1-CD2 4.46Å; Y185-Y399 VanDerWaalsContact OH-CA 3.27Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.44Å; Y185-Y399 PolarHBondContact OH-N 2.9Å; F395-Y399 HydrophobicContact CE1-CD1 4.26Å; F395-Y399 HydrophobicContact CE1-CD2 4.39Å; F395-Y399 AromaticContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CZ-CD2 4.22Å; F395-Y399 HydrophobicContact CZ-CG 4.18Å; F395-Y399 WeakPolarHBondContact O-CB 3.47Å; F395-Y399 PolarHBondContact O-N 3.28Å; D396-Y399 PolarHBondContact O-N 3.07Å; Y399-K401 PolarHBondContact O-N 3.38Å; Y399-K401 VanDerWaalsContact O-N 3.09Å; Y399-R402 WeakPolarHBondContact O-CA 3.34Å; Y399-R402 PolarHBondContact O-N 3Å; Y399-V405 HydrophobicContact CD2-CG2 3.84Å; Y399-V405 HydrophobicContact CE2-CG2 4.01Å; Y399-F418 HydrophobicContact CD2-CB 4.22Å; Y399-F418 HydrophobicContact CD2-CG 4.31Å; Y399-F418 HydrophobicContact CE2-CB 3.56Å; Y399-F418 HydrophobicContact CE2-CD1 4.48Å; Y399-F418 HydrophobicContact CE2-CD2 4.09Å; Y399-F418 AromaticContact CE2-CG 3.83Å; Y399-F418 HydrophobicContact CE2-CG 3.83Å; Y399-S419 PolarHBondContact OH-OG 3.06Å
400	A	96.7	Very high	96.1	Very high	87 Å²	87	69.1 Å²	69.1	72%	0.719	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.8	173.6	0	0	0	0	0	113.2	D396	D396-A400 WeakPolarHBondContact O-CB 3.5Å; D396-A400 PolarHBondContact O-N 3.38Å
401	K	96.7	Very high	96.3	Very high	173 Å²	173	68.3 Å²	68.3	75%	0.752	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	0.3	175.5	-64.6	-178.2	-179.3	178.5	0	113.3	M398 Y399 A403	M398-K401 PolarHBondContact O-N 3.22Å; Y399-K401 PolarHBondContact O-N 3.38Å; Y399-K401 VanDerWaalsContact O-N 3.09Å; K401-A403 HydrophobicContact CB-CB 4.49Å; K401-A403 PolarHBondContact O-N 2.89Å; K401-A403 VanDerWaalsContact O-N 3.11Å
402	R	96.1	Very high	96.4	Very high	152 Å²	152	70.7 Å²	70.7	57%	0.574	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	30.6	-169.9	-53.9	-174.6	71	163.8	1.2	112.5	M398 Y399 F404 V405 E415	M398-R402 PolarHBondContact O-N 3.27Å; Y399-R402 WeakPolarHBondContact O-CA 3.34Å; Y399-R402 PolarHBondContact O-N 3Å; R402-F404 PolarHBondContact O-N 3.31Å; R402-V405 HydrophobicContact CB-CG2 4.37Å; R402-E415 IonicContact CZ-OE1 3.65Å; R402-E415 IonicContact NE-OE1 2.76Å; R402-E415 PolarHBondContact NE-OE1 3.27Å; R402-E415 IonicContact NH2-OE1 3.71Å; R402-E415 PolarHBondContact NH2-OE1 3.39Å; R402-E415 IonicContact NH2-OE2 2.89Å; R402-E415 PolarHBondContact NH2-OE2 3.19Å
403	A	96.1	Very high	96.5	Very high	30 Å²	30	70.7 Å²	70.7	25%	0.248	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	127.4	-178.3	0	0	0	0	0	108.8	Y185 M398 K401 V405	Y185-A403 WeakPolarHBondContact CE2-O 3.42Å; Y185-A403 PolarHBondContact OH-O 3.23Å; M398-A403 PolarHBondContact O-N 3.17Å; K401-A403 HydrophobicContact CB-CB 4.49Å; K401-A403 PolarHBondContact O-N 2.89Å; K401-A403 VanDerWaalsContact O-N 3.11Å; A403-V405 PolarHBondContact O-N 2.85Å
404	F	96.3	Very high	96.6	Very high	58 Å²	58	68.9 Å²	68.9	25%	0.254	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-2.4	178.6	-47.7	-73.1	0	0	0	117.2	V181 V182 Y185 M398 R402 H406 W407	V181-F404 HydrophobicContact CB-CE2 4.34Å; V181-F404 HydrophobicContact CB-CZ 4.48Å; V181-F404 HydrophobicContact CG1-CD2 4.35Å; V181-F404 HydrophobicContact CG1-CE2 3.45Å; V181-F404 VanDerWaalsContact CG1-CE2 3.45Å; V181-F404 HydrophobicContact CG1-CZ 3.87Å; V182-F404 HydrophobicContact CG1-CB 3.7Å; V182-F404 HydrophobicContact CG1-CD1 4.33Å; V182-F404 HydrophobicContact CG1-CD2 3.78Å; V182-F404 HydrophobicContact CG1-CG 3.67Å; Y185-F404 HydrophobicContact CE2-CB 4.45Å; M398-F404 HydrophobicContact CE-CD2 3.86Å; M398-F404 HydrophobicContact CE-CE2 4.34Å; R402-F404 PolarHBondContact O-N 3.31Å; F404-H406 PolarHBondContact O-N 2.73Å; F404-W407 HydrophobicContact CB-CD2 4.41Å; F404-W407 HydrophobicContact CB-CE3 4.12Å; F404-W407 AromaticContact CD1-CD2 3.92Å; F404-W407 HydrophobicContact CD1-CD2 3.92Å; F404-W407 AromaticContact CD1-CE3 3.5Å; F404-W407 HydrophobicContact CD1-CE3 3.5Å; F404-W407 VanDerWaalsContact CD1-CE3 3.5Å; F404-W407 AromaticContact CD1-CH2 3.45Å; F404-W407 HydrophobicContact CD1-CH2 3.45Å; F404-W407 VanDerWaalsContact CD1-CH2 3.45Å; F404-W407 AromaticContact CD1-CZ2 3.86Å; F404-W407 HydrophobicContact CD1-CZ2 3.86Å; F404-W407 AromaticContact CD1-CZ3 3.25Å; F404-W407 HydrophobicContact CD1-CZ3 3.25Å; F404-W407 HydrophobicContact CE1-CE3 4.32Å; F404-W407 AromaticContact CE1-CH2 3.47Å; F404-W407 HydrophobicContact CE1-CH2 3.47Å; F404-W407 VanDerWaalsContact CE1-CH2 3.47Å; F404-W407 HydrophobicContact CE1-CZ2 4.07Å; F404-W407 AromaticContact CE1-CZ3 3.62Å; F404-W407 HydrophobicContact CE1-CZ3 3.62Å; F404-W407 HydrophobicContact CG-CE3 4.18Å; F404-W407 HydrophobicContact CG-CZ3 4.22Å; F404-W407 WeakPolarHBondContact O-CB 3.32Å; F404-W407 PolarHBondContact O-N 3.17Å
405	V	96.8	Very high	96.6	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.024	37%	0.369	C	S	.	.	H	α-helix	trans	-53.3	-41.8	-179.4	174	0	0	0	0	111.9	Y185 Y399 R402 A403 W407 Y408 V409 E415 F418	Y185-V405 HydrophobicContact CE2-CG2 4.24Å; Y399-V405 HydrophobicContact CD2-CG2 3.84Å; Y399-V405 HydrophobicContact CE2-CG2 4.01Å; R402-V405 HydrophobicContact CB-CG2 4.37Å; A403-V405 PolarHBondContact O-N 2.85Å; V405-W407 PolarHBondContact O-N 2.8Å; V405-Y408 PolarHBondContact O-N 2.74Å; V405-V409 HydrophobicContact CG1-CG2 4.16Å; V405-V409 PolarHBondContact O-N 3.5Å; V405-V409 VanDerWaalsContact O-N 3.09Å; V405-E415 HydrophobicContact CG1-CG 4.16Å; V405-F418 HydrophobicContact CB-CE2 4.45Å; V405-F418 HydrophobicContact CG1-CD2 4.26Å; V405-F418 HydrophobicContact CG1-CE2 3.84Å
406	H	96.6	Very high	96.6	Very high	122 Å²	122	71 Å²	71	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-62.3	-22.1	178.1	65.3	-78.1	0	0	0	114.3	F404 Y408 G410	F404-H406 PolarHBondContact O-N 2.73Å; H406-Y408 VanDerWaalsContact C-N 3.35Å; H406-G410 PolarHBondContact O-N 2.76Å
407	W	96.6	Very high	96.6	Very high	134 Å²	134	69.7 Å²	69.7	51%	0.508	38%	0.379	S	S	.	.	H	α-helix	trans	-73.3	-28.2	173.3	-65.9	-8.8	0	0	0	112.3	N102 F404 V405 E411	N102-W407 PolarHBondContact ND2-O 3.23Å; F404-W407 HydrophobicContact CB-CD2 4.41Å; F404-W407 HydrophobicContact CB-CE3 4.12Å; F404-W407 AromaticContact CD1-CD2 3.92Å; F404-W407 HydrophobicContact CD1-CD2 3.92Å; F404-W407 AromaticContact CD1-CE3 3.5Å; F404-W407 HydrophobicContact CD1-CE3 3.5Å; F404-W407 VanDerWaalsContact CD1-CE3 3.5Å; F404-W407 AromaticContact CD1-CH2 3.45Å; F404-W407 HydrophobicContact CD1-CH2 3.45Å; F404-W407 VanDerWaalsContact CD1-CH2 3.45Å; F404-W407 AromaticContact CD1-CZ2 3.86Å; F404-W407 HydrophobicContact CD1-CZ2 3.86Å; F404-W407 AromaticContact CD1-CZ3 3.25Å; F404-W407 HydrophobicContact CD1-CZ3 3.25Å; F404-W407 HydrophobicContact CE1-CE3 4.32Å; F404-W407 AromaticContact CE1-CH2 3.47Å; F404-W407 HydrophobicContact CE1-CH2 3.47Å; F404-W407 VanDerWaalsContact CE1-CH2 3.47Å; F404-W407 HydrophobicContact CE1-CZ2 4.07Å; F404-W407 AromaticContact CE1-CZ3 3.62Å; F404-W407 HydrophobicContact CE1-CZ3 3.62Å; F404-W407 HydrophobicContact CG-CE3 4.18Å; F404-W407 HydrophobicContact CG-CZ3 4.22Å; F404-W407 WeakPolarHBondContact O-CB 3.32Å; F404-W407 PolarHBondContact O-N 3.17Å; V405-W407 PolarHBondContact O-N 2.8Å; W407-E411 WeakPolarHBondContact O-CG 3.05Å
408	Y	98.3	Very high	96.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-82.9	-46.3	177.9	-70.9	-115.7	0	0	0	110	N102 A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418	N102-Y408 WeakPolarHBondContact OD1-CD1 3.27Å; A104-Y408 HydrophobicContact CB-CD1 3.98Å; A104-Y408 HydrophobicContact CB-CG 4.29Å; A104-Y408 WeakPolarHBondContact CB-O 3.32Å; V182-Y408 HydrophobicContact CB-CE2 4.29Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.34Å; V182-Y408 HydrophobicContact CG1-CE2 4.35Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.29Å; Y185-Y408 HydrophobicContact CD2-CD2 4.34Å; Y185-Y408 AromaticContact CD2-CE2 3.79Å; Y185-Y408 HydrophobicContact CD2-CE2 3.79Å; Y185-Y408 AromaticContact CD2-CZ 3.99Å; N186-Y408 PolarHBondContact OD1-OH 3.12Å; L189-Y408 HydrophobicContact CD1-CD1 3.86Å; L189-Y408 HydrophobicContact CD1-CE1 3.77Å; V405-Y408 PolarHBondContact O-N 2.74Å; H406-Y408 VanDerWaalsContact C-N 3.35Å; Y408-G410 VanDerWaalsContact C-N 3.27Å; Y408-G410 PolarHBondContact O-N 2.92Å; Y408-E411 PolarHBondContact O-N 3.43Å; Y408-M413 HydrophobicContact CD1-CE 4.18Å; Y408-M413 HydrophobicContact CD1-SD 4Å; Y408-M413 WeakPolarHBondContact O-CB 3.49Å; Y408-M413 PolarHBondContact O-N 2.85Å; Y408-F418 HydrophobicContact CD1-CE1 4.22Å; Y408-F418 AromaticContact CD1-CZ 3.75Å; Y408-F418 HydrophobicContact CD1-CZ 3.75Å; Y408-F418 AromaticContact CD2-CZ 3.94Å; Y408-F418 HydrophobicContact CD2-CZ 3.94Å; Y408-F418 HydrophobicContact CE1-CZ 4.42Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.27Å; Y408-F418 AromaticContact CG-CZ 3.49Å; Y408-F418 HydrophobicContact CG-CZ 3.49Å; Y408-F418 VanDerWaalsContact CG-CZ 3.49Å
409	V	97.6	Very high	96.8	Very high	59 Å²	59	65.5 Å²	65.5	36%	0.358	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-35.4	176.7	179.1	0	0	0	0	111.7	V405 E411 G412 M413 E415	V405-V409 HydrophobicContact CG1-CG2 4.16Å; V405-V409 PolarHBondContact O-N 3.5Å; V405-V409 VanDerWaalsContact O-N 3.09Å; V409-E411 PolarHBondContact O-N 3.22Å; V409-G412 PolarHBondContact O-N 3.21Å; V409-M413 WeakPolarHBondContact CA-O 3.43Å; V409-E415 HydrophobicContact CG2-CB 4.05Å
410	G	96.8	Very high	96.8	Very high	67 Å²	67	68.5 Å²	68.5	69%	0.691	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.9	174.7	0	0	0	0	0	114.4	H406 Y408 G412	H406-G410 PolarHBondContact O-N 2.76Å; Y408-G410 VanDerWaalsContact C-N 3.27Å; Y408-G410 PolarHBondContact O-N 2.92Å; G410-G412 VanDerWaalsContact C-N 3.32Å
411	E	96.9	Very high	96.9	Very high	42 Å²	42	64.3 Å²	64.3	20%	0.196	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8.2	175.2	-61.5	-73.9	167.5	0	0	111.8	A104 R105 Y108 T109 W407 Y408 V409	A104-E411 HydrophobicContact CB-CB 3.81Å; R105-E411 HydrophobicContact CB-CG 4.04Å; R105-E411 IonicContact NH1-OE1 2.74Å; R105-E411 PolarHBondContact NH1-OE1 2.96Å; Y108-E411 WeakPolarHBondContact CB-O 3.4Å; T109-E411 WeakPolarHBondContact CB-OE2 3.37Å; T109-E411 HydrophobicContact CG2-CB 4.15Å; T109-E411 WeakPolarHBondContact CG2-O 3.02Å; T109-E411 VanDerWaalsContact CG2-OE2 3.25Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.49Å; T109-E411 PolarHBondContact OG1-OE2 3.31Å; W407-E411 WeakPolarHBondContact O-CG 3.05Å; Y408-E411 PolarHBondContact O-N 3.43Å; V409-E411 PolarHBondContact O-N 3.22Å
412	G	95.4	Very high	96.9	Very high	57 Å²	57	58.4 Å²	58.4	59%	0.588	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	4.2	174.5	0	0	0	0	0	115.6	V409 G410	V409-G412 PolarHBondContact O-N 3.21Å; G410-G412 VanDerWaalsContact C-N 3.32Å
413	M	97.7	Very high	97	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	32%	0.319	C	S	.	.			trans	-71.9	139.6	171.6	-168.6	178.6	107.2	0	0	110.8	Y103 A104 Y108 L189 Y408 V409 E417 F418	Y103-M413 HydrophobicContact CD1-SD 4.37Å; A104-M413 HydrophobicContact CB-CB 3.87Å; A104-M413 HydrophobicContact CB-SD 4.07Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.16Å; Y108-M413 HydrophobicContact CE2-CB 3.69Å; Y108-M413 HydrophobicContact CE2-CG 3.5Å; Y108-M413 HydrophobicContact CE2-SD 4.1Å; L189-M413 HydrophobicContact CD1-CE 3.97Å; L189-M413 HydrophobicContact CD1-SD 3.89Å; L189-M413 HydrophobicContact CD2-CE 4.04Å; L189-M413 HydrophobicContact CD2-SD 4.24Å; Y408-M413 HydrophobicContact CD1-CE 4.18Å; Y408-M413 HydrophobicContact CD1-SD 4Å; Y408-M413 WeakPolarHBondContact O-CB 3.49Å; Y408-M413 PolarHBondContact O-N 2.85Å; V409-M413 WeakPolarHBondContact CA-O 3.43Å; M413-E417 HydrophobicContact CE-CB 4.34Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 VanDerWaalsContact CG-CD 3.49Å; M413-E417 HydrophobicContact CG-CG 4.47Å; M413-E417 WeakPolarHBondContact CG-OE1 3.26Å; M413-E417 WeakPolarHBondContact CG-OE2 3.43Å; M413-F418 HydrophobicContact CE-CD1 4.03Å; M413-F418 HydrophobicContact CE-CD2 3.33Å; M413-F418 HydrophobicContact CE-CE1 3.84Å; M413-F418 HydrophobicContact CE-CE2 3.11Å; M413-F418 HydrophobicContact CE-CG 3.81Å; M413-F418 HydrophobicContact CE-CZ 3.41Å; M413-F418 VanDerWaalsContact CE-CZ 3.41Å
414	E	97.1	Very high	97	Very high	145 Å²	145	57.6 Å²	57.6	68%	0.678	31%	0.314	S	S	*	.			trans	-77.3	140.3	175.9	-62.5	-171	177.4	0	0	110.8	G416 E417	E414-G416 PolarHBondContact O-N 3.17Å; E414-E417 HydrophobicContact CB-CG 4.21Å; E414-E417 PolarHBondContact N-OE1 3.39Å; E414-E417 WeakPolarHBondContact O-CB 3.45Å; E414-E417 PolarHBondContact O-N 2.86Å
415	E	95.3	Very high	97	Very high	68 Å²	68	55 Å²	55	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-25.1	-179.2	-174.2	167.6	-164.5	0	0	112.4	R402 V405 V409 E417 F418	R402-E415 IonicContact CZ-OE1 3.65Å; R402-E415 IonicContact NE-OE1 2.76Å; R402-E415 PolarHBondContact NE-OE1 3.27Å; R402-E415 IonicContact NH2-OE1 3.71Å; R402-E415 PolarHBondContact NH2-OE1 3.39Å; R402-E415 IonicContact NH2-OE2 2.89Å; R402-E415 PolarHBondContact NH2-OE2 3.19Å; V405-E415 HydrophobicContact CG1-CG 4.16Å; V409-E415 HydrophobicContact CG2-CB 4.05Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.15Å; E415-F418 PolarHBondContact O-N 2.99Å
416	G	96.6	Very high	96.9	Very high	38 Å²	38	55.7 Å²	55.7	39%	0.392	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-32.9	176.6	0	0	0	0	0	113.5	E414 F418 S419 E420	E414-G416 PolarHBondContact O-N 3.17Å; G416-F418 PolarHBondContact O-N 2.8Å; G416-S419 WeakPolarHBondContact O-CB 3.11Å; G416-S419 PolarHBondContact O-N 3.01Å; G416-E420 PolarHBondContact O-N 3.43Å
417	E	97.8	Very high	96.9	Very high	37 Å²	37	51 Å²	51	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-31.6	-179.2	-63.5	177.4	-128.2	0	0	112.5	Y108 M413 E414 E415 S419 A421	Y108-E417 VanDerWaalsContact OH-CD 3.25Å; Y108-E417 PolarHBondContact OH-OE1 3.33Å; Y108-E417 PolarHBondContact OH-OE2 3.2Å; M413-E417 HydrophobicContact CE-CB 4.34Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 VanDerWaalsContact CG-CD 3.49Å; M413-E417 HydrophobicContact CG-CG 4.47Å; M413-E417 WeakPolarHBondContact CG-OE1 3.26Å; M413-E417 WeakPolarHBondContact CG-OE2 3.43Å; E414-E417 HydrophobicContact CB-CG 4.21Å; E414-E417 PolarHBondContact N-OE1 3.39Å; E414-E417 WeakPolarHBondContact O-CB 3.45Å; E414-E417 PolarHBondContact O-N 2.86Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.15Å; E417-S419 VanDerWaalsContact C-N 3.29Å; E417-S419 PolarHBondContact O-N 3.45Å; E417-A421 VanDerWaalsContact O-CB 3.22Å; E417-A421 WeakPolarHBondContact O-CB 3.3Å; E417-A421 PolarHBondContact O-N 3.19Å
418	F	97.9	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-41.8	173.1	-80.5	-70.3	0	0	0	112.1	Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422	Y185-F418 HydrophobicContact CD1-CD1 4.34Å; Y185-F418 AromaticContact CD1-CE1 3.99Å; Y185-F418 HydrophobicContact CD1-CE1 3.99Å; Y185-F418 AromaticContact CD2-CE1 3.71Å; Y185-F418 HydrophobicContact CD2-CE1 3.71Å; Y185-F418 HydrophobicContact CD2-CZ 4.13Å; Y185-F418 HydrophobicContact CE1-CE1 4.37Å; Y185-F418 HydrophobicContact CE2-CE1 4.11Å; Y185-F418 HydrophobicContact CE2-CZ 4.35Å; Y185-F418 HydrophobicContact CG-CD1 4.41Å; Y185-F418 AromaticContact CG-CE1 3.64Å; Y185-F418 HydrophobicContact CG-CE1 3.64Å; Y185-F418 HydrophobicContact CG-CZ 4.48Å; L189-F418 HydrophobicContact CD1-CD1 4.46Å; L189-F418 HydrophobicContact CD1-CE1 4.07Å; F395-F418 AromaticContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CZ-CB 4.1Å; F395-F418 HydrophobicContact CZ-CD1 4.02Å; F395-F418 WeakPolarHBondContact CZ-O 3.39Å; Y399-F418 HydrophobicContact CD2-CB 4.22Å; Y399-F418 HydrophobicContact CD2-CG 4.31Å; Y399-F418 HydrophobicContact CE2-CB 3.56Å; Y399-F418 HydrophobicContact CE2-CD1 4.48Å; Y399-F418 HydrophobicContact CE2-CD2 4.09Å; Y399-F418 AromaticContact CE2-CG 3.83Å; Y399-F418 HydrophobicContact CE2-CG 3.83Å; V405-F418 HydrophobicContact CB-CE2 4.45Å; V405-F418 HydrophobicContact CG1-CD2 4.26Å; V405-F418 HydrophobicContact CG1-CE2 3.84Å; Y408-F418 HydrophobicContact CD1-CE1 4.22Å; Y408-F418 AromaticContact CD1-CZ 3.75Å; Y408-F418 HydrophobicContact CD1-CZ 3.75Å; Y408-F418 AromaticContact CD2-CZ 3.94Å; Y408-F418 HydrophobicContact CD2-CZ 3.94Å; Y408-F418 HydrophobicContact CE1-CZ 4.42Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.27Å; Y408-F418 AromaticContact CG-CZ 3.49Å; Y408-F418 HydrophobicContact CG-CZ 3.49Å; Y408-F418 VanDerWaalsContact CG-CZ 3.49Å; M413-F418 HydrophobicContact CE-CD1 4.03Å; M413-F418 HydrophobicContact CE-CD2 3.33Å; M413-F418 HydrophobicContact CE-CE1 3.84Å; M413-F418 HydrophobicContact CE-CE2 3.11Å; M413-F418 HydrophobicContact CE-CG 3.81Å; M413-F418 HydrophobicContact CE-CZ 3.41Å; M413-F418 VanDerWaalsContact CE-CZ 3.41Å; E415-F418 PolarHBondContact O-N 2.99Å; G416-F418 PolarHBondContact O-N 2.8Å; F418-R422 VanDerWaalsContact O-CB 3.23Å; F418-R422 WeakPolarHBondContact O-CB 3.37Å; F418-R422 PolarHBondContact O-N 3.43Å; F418-R422 VanDerWaalsContact O-N 3.17Å
419	S	96.8	Very high	96.7	Very high	47 Å²	47	46.5 Å²	46.5	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-74	-43.4	-177.8	-59.3	0	0	0	0	110.4	Y399 G416 E417 R422 E423	Y399-S419 PolarHBondContact OH-OG 3.06Å; G416-S419 WeakPolarHBondContact O-CB 3.11Å; G416-S419 PolarHBondContact O-N 3.01Å; E417-S419 VanDerWaalsContact C-N 3.29Å; E417-S419 PolarHBondContact O-N 3.45Å; S419-R422 PolarHBondContact O-N 2.93Å; S419-E423 WeakPolarHBondContact O-CB 3.35Å; S419-E423 WeakPolarHBondContact O-CG 3.46Å; S419-E423 PolarHBondContact O-N 3.33Å
420	E	97.8	Very high	96.5	Very high	115 Å²	115	50.2 Å²	50.2	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-50.1	176.6	-67.5	175.9	-165.3	0	0	111.6	G416 R422 E423 D424	G416-E420 PolarHBondContact O-N 3.43Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 2.91Å; E420-E423 PolarHBondContact O-N 2.7Å; E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 2.52Å
421	A	97.7	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-36	178.7	0	0	0	0	0	112.4	I188 L189 H192 E417 L425	I188-A421 HydrophobicContact CG2-CB 3.77Å; I188-A421 WeakPolarHBondContact CG2-O 3.4Å; L189-A421 HydrophobicContact CD2-CB 3.97Å; H192-A421 HydrophobicContact CB-CB 3.53Å; E417-A421 VanDerWaalsContact O-CB 3.22Å; E417-A421 WeakPolarHBondContact O-CB 3.3Å; E417-A421 PolarHBondContact O-N 3.19Å; A421-L425 PolarHBondContact O-N 3.48Å; A421-L425 VanDerWaalsContact O-N 3.08Å
422	R	97.6	Very high	96.4	Very high	49 Å²	49	47 Å²	47	19%	0.185	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-39.9	176.9	175.9	58.7	-175.3	91.5	1.4	112.5	N392 F395 D396 F418 S419 E420 A426	N392-R422 VanDerWaalsContact CG-CZ 3.46Å; N392-R422 VanDerWaalsContact CG-NH1 3.27Å; N392-R422 PolarHBondContact ND2-NH1 3.47Å; N392-R422 PolarHBondContact OD1-NH1 3.25Å; F395-R422 HydrophobicContact CD1-CB 4.23Å; F395-R422 HydrophobicContact CD1-CG 3.89Å; F395-R422 HydrophobicContact CE1-CB 3.67Å; F395-R422 HydrophobicContact CE1-CG 3.7Å; F395-R422 HydrophobicContact CZ-CB 3.94Å; F395-R422 HydrophobicContact CZ-CG 4.45Å; D396-R422 IonicContact OD1-CZ 3.97Å; D396-R422 IonicContact OD1-NE 3.34Å; D396-R422 PolarHBondContact OD1-NE 3.02Å; D396-R422 IonicContact OD1-NH2 3.57Å; D396-R422 IonicContact OD2-CZ 2.68Å; D396-R422 IonicContact OD2-NE 2.75Å; D396-R422 IonicContact OD2-NH2 3.37Å; D396-R422 PolarHBondContact OD2-NH2 2.69Å; F418-R422 VanDerWaalsContact O-CB 3.23Å; F418-R422 WeakPolarHBondContact O-CB 3.37Å; F418-R422 PolarHBondContact O-N 3.43Å; F418-R422 VanDerWaalsContact O-N 3.17Å; S419-R422 PolarHBondContact O-N 2.93Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 2.91Å; R422-A426 VanDerWaalsContact NH1-CB 3.35Å; R422-A426 PolarHBondContact O-N 2.82Å; R422-A426 VanDerWaalsContact O-N 3.09Å
423	E	97.3	Very high	96.2	Very high	136 Å²	136	49.2 Å²	49.2	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	-66	-42.2	175.7	-76.3	-179.9	-174.1	0	0	111.4	S419 E420 A426 A427	S419-E423 WeakPolarHBondContact O-CB 3.35Å; S419-E423 WeakPolarHBondContact O-CG 3.46Å; S419-E423 PolarHBondContact O-N 3.33Å; E420-E423 PolarHBondContact O-N 2.7Å; E423-A426 VanDerWaalsContact O-CB 3.32Å; E423-A426 WeakPolarHBondContact O-CB 3.5Å; E423-A426 PolarHBondContact O-N 3.47Å; E423-A426 VanDerWaalsContact O-N 3.16Å; E423-A427 PolarHBondContact O-N 3.1Å
424	D	96.3	Very high	96	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-41.8	177.9	-171.5	34.6	0	0	0	111.9	H192 R264 E420 A426 A427 L428	H192-D424 IonicContact CE1-OD2 3.47Å; H192-D424 IonicContact CG-OD2 2.85Å; H192-D424 WeakPolarHBondContact ND1-CB 3.43Å; H192-D424 IonicContact ND1-OD2 3.75Å; H192-D424 PolarHBondContact ND1-OD2 3.43Å; R264-D424 IonicContact CZ-OD1 3.42Å; R264-D424 IonicContact NH1-OD1 3.17Å; R264-D424 PolarHBondContact NH1-OD1 2.86Å; R264-D424 PolarHBondContact NH2-O 3.36Å; R264-D424 VanDerWaalsContact NH2-O 3.13Å; R264-D424 IonicContact NH2-OD1 2.73Å; R264-D424 PolarHBondContact NH2-OD1 3.2Å; E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 2.52Å; D424-A426 VanDerWaalsContact C-N 3.3Å; D424-A426 PolarHBondContact O-N 3.38Å; D424-A427 WeakPolarHBondContact O-CB 3.35Å; D424-A427 PolarHBondContact O-N 2.76Å; D424-A427 VanDerWaalsContact O-N 3.15Å; D424-L428 PolarHBondContact O-N 2.99Å
425	L	95.8	Very high	95.7	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-68.3	-30.6	174.3	-166.3	60.8	0	0	0	112.5	I188 T191 W388 L391 N392 A421 A427 L428 E429	I188-L425 HydrophobicContact CB-CD2 4.41Å; I188-L425 HydrophobicContact CD1-CD2 3.8Å; I188-L425 HydrophobicContact CG1-CD2 3.63Å; I188-L425 HydrophobicContact CG2-CD2 4.48Å; T191-L425 HydrophobicContact CG2-CD1 3.86Å; W388-L425 HydrophobicContact CD2-CD1 4.23Å; W388-L425 HydrophobicContact CE3-CD1 3.91Å; W388-L425 HydrophobicContact CG-CD1 4.46Å; W388-L425 HydrophobicContact CZ3-CD1 4.47Å; L391-L425 HydrophobicContact CD2-CD2 3.86Å; L391-L425 HydrophobicContact CG-CD2 4.4Å; N392-L425 VanDerWaalsContact OD1-CD2 3.32Å; N392-L425 WeakPolarHBondContact OD1-CD2 3.33Å; A421-L425 PolarHBondContact O-N 3.48Å; A421-L425 VanDerWaalsContact O-N 3.08Å; L425-A427 VanDerWaalsContact C-N 3.34Å; L425-L428 HydrophobicContact CD1-CB 4.34Å; L425-L428 HydrophobicContact CD1-CD2 3.81Å; L425-L428 PolarHBondContact O-N 3.36Å; L425-E429 PolarHBondContact O-N 2.98Å
426	A	95.8	Very high	95.4	Very high	17 Å²	17	47.8 Å²	47.8	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-36.5	171.4	0	0	0	0	0	111.8	R422 E423 D424 E429 R430	R422-A426 VanDerWaalsContact NH1-CB 3.35Å; R422-A426 PolarHBondContact O-N 2.82Å; R422-A426 VanDerWaalsContact O-N 3.09Å; E423-A426 VanDerWaalsContact O-CB 3.32Å; E423-A426 WeakPolarHBondContact O-CB 3.5Å; E423-A426 PolarHBondContact O-N 3.47Å; E423-A426 VanDerWaalsContact O-N 3.16Å; D424-A426 VanDerWaalsContact C-N 3.3Å; D424-A426 PolarHBondContact O-N 3.38Å; A426-E429 PolarHBondContact O-N 3.09Å; A426-R430 WeakPolarHBondContact O-CG 3.29Å; A426-R430 PolarHBondContact O-N 3.47Å; A426-R430 PolarHBondContact O-NH1 3.41Å
427	A	96	Very high	95	Very high	23 Å²	23	49.1 Å²	49.1	19%	0.19	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-43.5	173.4	0	0	0	0	0	110.8	E423 D424 L425 E429 R430 D431	E423-A427 PolarHBondContact O-N 3.1Å; D424-A427 WeakPolarHBondContact O-CB 3.35Å; D424-A427 PolarHBondContact O-N 2.76Å; D424-A427 VanDerWaalsContact O-N 3.15Å; L425-A427 VanDerWaalsContact C-N 3.34Å; A427-E429 VanDerWaalsContact C-N 3.31Å; A427-E429 PolarHBondContact O-N 3.01Å; A427-R430 VanDerWaalsContact CA-NH2 3.34Å; A427-R430 WeakPolarHBondContact O-CB 3.38Å; A427-R430 PolarHBondContact O-N 3.05Å; A427-R430 VanDerWaalsContact O-N 3.13Å; A427-D431 PolarHBondContact O-N 2.75Å
428	L	95.6	Very high	93.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-41.9	174.6	-177.5	63.3	0	0	0	112.4	T191 L195 R264 F267 D424 L425 R430 D431 Y432	T191-L428 HydrophobicContact CG2-CD2 4.39Å; L195-L428 HydrophobicContact CD1-CD2 4.32Å; R264-L428 HydrophobicContact CB-CD1 4.1Å; R264-L428 WeakPolarHBondContact O-CD1 3.35Å; F267-L428 HydrophobicContact CD2-CD2 4.29Å; F267-L428 HydrophobicContact CE2-CD2 3.72Å; F267-L428 HydrophobicContact CZ-CD2 4.44Å; D424-L428 PolarHBondContact O-N 2.99Å; L425-L428 HydrophobicContact CD1-CB 4.34Å; L425-L428 HydrophobicContact CD1-CD2 3.81Å; L425-L428 PolarHBondContact O-N 3.36Å; L428-R430 VanDerWaalsContact C-N 3.34Å; L428-R430 PolarHBondContact O-N 3.36Å; L428-D431 WeakPolarHBondContact O-CB 3.13Å; L428-D431 PolarHBondContact O-N 3.24Å; L428-Y432 HydrophobicContact CD1-CD2 4.18Å; L428-Y432 HydrophobicContact CD1-CE2 3.76Å; L428-Y432 HydrophobicContact CD2-CE2 4.4Å; L428-Y432 HydrophobicContact CG-CD2 4.16Å; L428-Y432 VanDerWaalsContact O-CD2 3.27Å; L428-Y432 HydrophobicContact CG-CE2 3.9Å; L428-Y432 VanDerWaalsContact O-N 3.17Å; L428-Y432 WeakPolarHBondContact O-CD2 3.37Å; L428-Y432 PolarHBondContact O-N 3.32Å
429	E	94.7	Very high	92	Very high	39 Å²	39	54 Å²	54	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-57.3	-47.2	174.6	-173.2	176.5	166.7	0	0	111.3	A389 N392 L425 A426 A427 D431 Y432 E433	A389-E429 WeakPolarHBondContact CB-OE1 3.5Å; N392-E429 PolarHBondContact ND2-OE2 3.19Å; L425-E429 PolarHBondContact O-N 2.98Å; A426-E429 PolarHBondContact O-N 3.09Å; A427-E429 VanDerWaalsContact C-N 3.31Å; A427-E429 PolarHBondContact O-N 3.01Å; E429-D431 PolarHBondContact O-N 3.26Å; E429-Y432 PolarHBondContact O-N 3Å; E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 3.25Å; E429-E433 VanDerWaalsContact O-N 3.08Å
430	R	94.4	Very high	90	Very high	137 Å²	137	56.7 Å²	56.7	52%	0.517	29%	0.294	S	S	.	.	H	α-helix	trans	-63.4	-37.8	175.6	-69.4	-173.6	-62.4	-89.8	3.9	113	A426 A427 L428 Y432 E433 E434	A426-R430 WeakPolarHBondContact O-CG 3.29Å; A426-R430 PolarHBondContact O-N 3.47Å; A426-R430 PolarHBondContact O-NH1 3.41Å; A427-R430 VanDerWaalsContact CA-NH2 3.34Å; A427-R430 WeakPolarHBondContact O-CB 3.38Å; A427-R430 PolarHBondContact O-N 3.05Å; A427-R430 VanDerWaalsContact O-N 3.13Å; L428-R430 VanDerWaalsContact C-N 3.34Å; L428-R430 PolarHBondContact O-N 3.36Å; R430-Y432 VanDerWaalsContact C-N 3.26Å; R430-Y432 PolarHBondContact O-N 3.42Å; R430-E433 PolarHBondContact O-N 2.96Å; R430-E433 VanDerWaalsContact O-N 3.13Å; R430-E434 WeakPolarHBondContact O-CB 3.34Å; R430-E434 PolarHBondContact O-N 3.12Å
431	D	95	Very high	87.7	Confident	42 Å²	42	56.2 Å²	56.2	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-41	176.1	-62.4	-23.7	0	0	0	110.4	R264 I265 A427 L428 E429 V435	R264-D431 IonicContact CZ-OD2 2.72Å; R264-D431 IonicContact NE-OD2 2.73Å; R264-D431 PolarHBondContact NE-OD2 3.02Å; R264-D431 IonicContact NH2-OD2 3.2Å; I265-D431 HydrophobicContact CD1-CB 4.13Å; I265-D431 HydrophobicContact CG1-CB 4.32Å; A427-D431 PolarHBondContact O-N 2.75Å; L428-D431 WeakPolarHBondContact O-CB 3.13Å; L428-D431 PolarHBondContact O-N 3.24Å; E429-D431 PolarHBondContact O-N 3.26Å; D431-V435 VanDerWaalsContact O-CG2 3.27Å; D431-V435 WeakPolarHBondContact O-CG2 3.36Å; D431-V435 PolarHBondContact O-N 3.37Å; D431-V435 VanDerWaalsContact O-N 3.17Å
432	Y	95.1	Very high	85.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.2	-35.7	175.1	-80.7	-75	0	0	0	113.3	I265 M313 T382 I384 W388 L428 E429 R430 A436	I265-Y432 HydrophobicContact CB-CE1 4.29Å; I265-Y432 HydrophobicContact CG1-CE1 4.48Å; I265-Y432 HydrophobicContact CG2-CD1 3.94Å; I265-Y432 HydrophobicContact CG2-CE1 3.26Å; I265-Y432 HydrophobicContact CG2-CE2 4.48Å; M313-Y432 HydrophobicContact CE-CD1 4.05Å; M313-Y432 HydrophobicContact CE-CE1 3.82Å; T382-Y432 HydrophobicContact CG2-CD1 4.39Å; T382-Y432 WeakPolarHBondContact CG2-O 3.39Å; I384-Y432 HydrophobicContact CG2-CD1 3.86Å; I384-Y432 HydrophobicContact CG2-CD2 4.21Å; I384-Y432 HydrophobicContact CG2-CE1 3.34Å; I384-Y432 HydrophobicContact CG2-CE2 3.81Å; I384-Y432 HydrophobicContact CG2-CG 4.25Å; W388-Y432 AromaticContact CD1-CD2 3.91Å; W388-Y432 AromaticContact NE1-CD2 3.76Å; W388-Y432 AromaticContact NE1-CE2 3.38Å; L428-Y432 HydrophobicContact CD1-CD2 4.18Å; L428-Y432 HydrophobicContact CD1-CE2 3.76Å; L428-Y432 HydrophobicContact CD2-CE2 4.4Å; L428-Y432 HydrophobicContact CG-CD2 4.16Å; L428-Y432 VanDerWaalsContact O-CD2 3.27Å; L428-Y432 HydrophobicContact CG-CE2 3.9Å; L428-Y432 VanDerWaalsContact O-N 3.17Å; L428-Y432 WeakPolarHBondContact O-CD2 3.37Å; L428-Y432 PolarHBondContact O-N 3.32Å; E429-Y432 PolarHBondContact O-N 3Å; R430-Y432 VanDerWaalsContact C-N 3.26Å; R430-Y432 PolarHBondContact O-N 3.42Å; Y432-A436 VanDerWaalsContact O-N 3.08Å; Y432-A436 PolarHBondContact O-N 3.18Å; Y432-A436 WeakPolarHBondContact O-CB 3.18Å
433	E	92.7	Very high	82.7	Confident	104 Å²	104	65.2 Å²	65.2	49%	0.486	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-44.8	175.5	-70	176.2	162.6	0	0	111.7	E429 R430 V435 A436 S437	E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 3.25Å; E429-E433 VanDerWaalsContact O-N 3.08Å; R430-E433 PolarHBondContact O-N 2.96Å; R430-E433 VanDerWaalsContact O-N 3.13Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.22Å; E433-A436 WeakPolarHBondContact O-CB 3.25Å; E433-A436 PolarHBondContact O-N 3.27Å; E433-A436 VanDerWaalsContact O-N 3.1Å; E433-S437 PolarHBondContact O-N 2.97Å; E433-S437 VanDerWaalsContact O-N 3.12Å
434	E	92.5	Very high	80.2	Confident	142 Å²	142	62.4 Å²	62.4	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-59.4	-45.9	176.8	-175.9	177.9	168.6	0	0	110.5	R430 A436 S437	R430-E434 WeakPolarHBondContact O-CB 3.34Å; R430-E434 PolarHBondContact O-N 3.12Å; E434-A436 PolarHBondContact O-N 2.65Å; E434-S437 PolarHBondContact O-N 3.3Å; E434-S437 PolarHBondContact O-OG 2.66Å; E434-S437 VanDerWaalsContact O-N 3.14Å; E434-S437 WeakPolarHBondContact O-CB 3.43Å
435	V	91	Very high	77.6	Confident	15 Å²	15	68.2 Å²	68.2	9%	0.091	38%	0.378	C	S	.	.	H	α-helix	trans	-67.3	-25.5	177.6	174.9	0	0	0	0	113	Y262 I265 M313 V344 W346 T382 D431 E433	Y262-V435 HydrophobicContact CD2-CG2 4.17Å; Y262-V435 HydrophobicContact CE2-CG2 3.83Å; I265-V435 HydrophobicContact CD1-CB 4.42Å; I265-V435 HydrophobicContact CD1-CG2 3.66Å; M313-V435 HydrophobicContact CG-CG1 3.85Å; M313-V435 HydrophobicContact SD-CB 4.48Å; M313-V435 HydrophobicContact SD-CG1 3.46Å; M313-V435 WeakPolarHBondContact SD-CG1 3.5Å; V344-V435 HydrophobicContact CG1-CG1 4.38Å; W346-V435 HydrophobicContact CZ2-CG1 3.67Å; T382-V435 HydrophobicContact CG2-CB 4.43Å; T382-V435 HydrophobicContact CG2-CG1 4.21Å; D431-V435 VanDerWaalsContact O-CG2 3.27Å; D431-V435 WeakPolarHBondContact O-CG2 3.36Å; D431-V435 PolarHBondContact O-N 3.37Å; D431-V435 VanDerWaalsContact O-N 3.17Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.22Å
436	A	89.1	Confident	75.1	Confident	29 Å²	29	75.9 Å²	75.9	24%	0.24	42%	0.419	C	S	.	.	H	α-helix	trans	-76.6	-24.4	175.1	0	0	0	0	0	113	K311 T382 Y432 E433 E434	K311-A436 WeakPolarHBondContact CE-O 3.49Å; K311-A436 PolarHBondContact NZ-O 2.94Å; T382-A436 HydrophobicContact CG2-CB 3.9Å; Y432-A436 VanDerWaalsContact O-N 3.08Å; Y432-A436 PolarHBondContact O-N 3.18Å; Y432-A436 WeakPolarHBondContact O-CB 3.18Å; E433-A436 WeakPolarHBondContact O-CB 3.25Å; E433-A436 PolarHBondContact O-N 3.27Å; E433-A436 VanDerWaalsContact O-N 3.1Å; E434-A436 PolarHBondContact O-N 2.65Å
437	S	87.4	Confident	72.2	Confident	66 Å²	66	78.2 Å²	78.2	46%	0.462	45%	0.445	S	S	.	.	S	Bend	trans	-64.6	136.7	178.8	74.1	0	0	0	0	110.9	E433 E434	E433-S437 PolarHBondContact O-N 2.97Å; E433-S437 VanDerWaalsContact O-N 3.12Å; E434-S437 PolarHBondContact O-N 3.3Å; E434-S437 PolarHBondContact O-OG 2.66Å; E434-S437 VanDerWaalsContact O-N 3.14Å; E434-S437 WeakPolarHBondContact O-CB 3.43Å
438	D	70.8	Confident	69.5	Low	63 Å²	63	80.5 Å²	80.5	34%	0.337	47%	0.47	S	S	.	.			trans	-71.9	138.6	178	-75.2	-50.8	0	0	0	109.7	K311 V440 D441	K311-D438 IonicContact NZ-OD1 3.17Å; K311-D438 PolarHBondContact NZ-OD1 2.74Å; K311-D438 IonicContact NZ-OD2 2.77Å; K311-D438 PolarHBondContact NZ-OD2 3.21Å; D438-V440 PolarHBondContact O-N 3.21Å; D438-D441 PolarHBondContact O-N 3.22Å; D438-D441 VanDerWaalsContact O-N 3.09Å
439	T	63.6	Low	66.9	Low	76 Å²	76	94 Å²	94	47%	0.466	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.2	177	61.1	0	0	0	0	112.5	D345	D345-T439 WeakPolarHBondContact OD2-CB 3.31Å; D345-T439 WeakPolarHBondContact OD2-CG2 3.46Å; D345-T439 PolarHBondContact OD2-N 3.43Å; D345-T439 VanDerWaalsContact OD2-N 3.11Å; D345-T439 PolarHBondContact OD2-OG1 2.89Å
440	V	54.6	Low	65.5	Low	104 Å²	104	96.8 Å²	96.8	63%	0.63	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.5	179.5	-164.5	0	0	0	0	112.1	D438 H443	D438-V440 PolarHBondContact O-N 3.21Å; V440-H443 PolarHBondContact O-N 2.84Å
441	D	49.2	Very low	64	Low	105 Å²	105	94.7 Å²	94.7	56%	0.561	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-70.8	-36.7	-179.6	-73.7	-22.1	0	0	0	110.9	D438 H443 S444	D438-D441 PolarHBondContact O-N 3.22Å; D438-D441 VanDerWaalsContact O-N 3.09Å; D441-H443 PolarHBondContact O-N 2.98Å; D441-S444 PolarHBondContact O-N 3.37Å; D441-S444 PolarHBondContact O-OG 3.27Å
442	A	46.9	Very low	62.3	Low	76 Å²	76	97.6 Å²	97.6	63%	0.628	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-66.5	-15.5	178.5	0	0	0	0	0	114.9
443	H	42.7	Very low	60.3	Low	162 Å²	162	103.4 Å²	103.4	75%	0.75	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-106.6	-0.8	177.5	-70.3	-25.7	0	0	0	113.8	V440 D441	V440-H443 PolarHBondContact O-N 2.84Å; D441-H443 PolarHBondContact O-N 2.98Å
444	S	44	Very low	58.3	Low	77 Å²	77	103.3 Å²	103.3	54%	0.538	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-11.9	177.4	65.9	0	0	0	0	114.1	D441	D441-S444 PolarHBondContact O-N 3.37Å; D441-S444 PolarHBondContact O-OG 3.27Å
445	D	43.3	Very low	56	Low	150 Å²	150	100.7 Å²	100.7	80%	0.802	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-5.3	178.4	-88.5	-13.3	0	0	0	114.9	G447	D445-G447 VanDerWaalsContact C-N 3.32Å
446	D	42.2	Very low	53.5	Low	166 Å²	166	106.9 Å²	106.9	89%	0.888	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	20.6	172.4	-89.7	-20.6	0	0	0	113.3
447	G	34.7	Very low	50.8	Low	66 Å²	66	112.8 Å²	112.8	68%	0.68	67%	0.671	S	S	*	*			trans	-110	57.5	-178.9	0	0	0	0	0	114.2	D445	D445-G447 VanDerWaalsContact C-N 3.32Å
448	G	39.5	Very low	47.8	Very low	70 Å²	70	116.8 Å²	116.8	72%	0.722	69%	0.688	S	S	*	*			trans	-144.8	74.2	-177.5	0	0	0	0	0	114.6
449	F	41.7	Very low	45.7	Very low	286 Å²	286	121.6 Å²	121.6	100%	1.254	72%	0.72	S	S	*	*			trans	16.7	0	159.2	-68	-82.3	0	0	0	120.6

Retrieved 449 of 449 residues in 107.3 ms (Link to these results)

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