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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 (A0A3B3VZH0), UniProt , Accession A0A096M087, Species POEFO (Poecilia formosa, Amazon molly), Gene TUBA1B, Length 450 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	66.6	Low	92.2	Very high	91 Å²	91	29.1 Å²	29.1	45%	0.448	13%	0.128	S	C	.	.				0	170.8	0	-84.7	-173.6	-89.3	0	0	109.8	E3 N50	M1-E3 HydrophobicContact CB-CG 4.34Å; M1-N50 HydrophobicContact CE-CB 4.41Å; M1-N50 HydrophobicContact SD-CB 3.4Å; M1-N50 WeakPolarHBondContact SD-CB 3.24Å
2	R	80.6	Confident	92.3	Very high	133 Å²	133	28.7 Å²	28.7	50%	0.502	13%	0.134	S	C	.	.			trans	-119.9	64.8	-176.1	-79.7	178.2	176.7	-146.9	-4.4	108.7	T51 Q133 D251	R2-T51 HydrophobicContact CB-CG2 4.33Å; R2-T51 WeakPolarHBondContact O-CB 3.3Å; R2-T51 VanDerWaalsContact O-CG2 3.25Å; R2-T51 WeakPolarHBondContact O-CG2 3.23Å; R2-Q133 VanDerWaalsContact CB-CD 3.44Å; R2-Q133 HydrophobicContact CB-CG 3.81Å; R2-Q133 VanDerWaalsContact CD-NE2 3.29Å; R2-Q133 HydrophobicContact CG-CG 4.21Å; R2-Q133 VanDerWaalsContact CG-NE2 3.3Å; R2-D251 IonicContact CZ-OD2 3.48Å; R2-D251 IonicContact NH1-OD2 3.29Å; R2-D251 PolarHBondContact NH1-OD2 3.01Å; R2-D251 IonicContact NH2-OD2 3.43Å
3	E	91.6	Very high	92.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.124	C	C	.	.			trans	-70.3	143.5	-172.7	-57.3	92.7	146.9	0	0	112.1	M1 T51 C129 T130 G131 L132 Q133	M1-E3 HydrophobicContact CB-CG 4.34Å; E3-T51 WeakPolarHBondContact CA-O 3.24Å; E3-C129 HydrophobicContact CB-CB 3.98Å; E3-C129 VanDerWaalsContact CB-SG 3.56Å; E3-C129 HydrophobicContact CG-CB 4.18Å; E3-T130 PolarHBondContact OE1-N 2.79Å; E3-T130 PolarHBondContact OE1-OG1 2.83Å; E3-G131 PolarHBondContact N-O 3.07Å; E3-G131 WeakPolarHBondContact OE2-CA 3.35Å; E3-G131 PolarHBondContact OE2-N 3.45Å; E3-L132 WeakPolarHBondContact O-CA 3.31Å; E3-Q133 PolarHBondContact O-N 2.99Å
4	C	93.6	Very high	93	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.2	176.1	-64.1	0	0	0	0	109.5	T51 F52 R64	C4-T51 PolarHBondContact N-O 3.34Å; C4-F52 HydrophobicContact CB-CD2 4.47Å; C4-F52 HydrophobicContact CB-CE2 3.99Å; C4-F52 HydrophobicContact CB-CZ 4.23Å; C4-R64 WeakPolarHBondContact O-CB 3.47Å
5	I	97.1	Very high	93.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.3	175.7	-64.8	168.2	0	0	0	108.5	I7 R64 L125 A126 L132 G134 F135 L136	I5-I7 HydrophobicContact CG2-CG1 4.2Å; I5-R64 WeakPolarHBondContact CA-O 3.25Å; I5-R64 HydrophobicContact CG1-CB 4.48Å; I5-L125 HydrophobicContact CD1-CB 3.78Å; I5-L125 HydrophobicContact CG1-CB 4.37Å; I5-L125 HydrophobicContact CG2-CD1 4.2Å; I5-A126 HydrophobicContact CD1-CB 4.22Å; I5-L132 HydrophobicContact CB-CD1 4.46Å; I5-L132 HydrophobicContact CD1-CD1 3.72Å; I5-L132 HydrophobicContact CD1-CD2 4.23Å; I5-L132 HydrophobicContact CG1-CD1 3.79Å; I5-G134 PolarHBondContact N-O 2.73Å; I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.21Å; I5-F135 HydrophobicContact CD1-CE1 4.08Å; I5-F135 HydrophobicContact CG2-CD1 4.23Å; I5-F135 HydrophobicContact CG2-CE1 4.49Å; I5-F135 CarbonylContact O-C 3.54Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.29Å; I5-L136 PolarHBondContact O-N 3.2Å
6	S	97.9	Very high	93.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.5	175.7	-54.6	0	0	0	0	110.6	R64 A65 V66 L136	S6-R64 PolarHBondContact N-O 2.98Å; S6-A65 CarbonylContact O-C 3.49Å; S6-A65 WeakPolarHBondContact O-CA 2.88Å; S6-V66 PolarHBondContact O-N 3.17Å; S6-L136 CarbonylContact C-O 3.53Å; S6-L136 WeakPolarHBondContact CA-O 3.5Å
7	I	98.6	Very high	93.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	179.9	-51.3	168.1	0	0	0	108.1	I5 V9 V66 I122 F135 L136 V137 F138 L153 L157	I5-I7 HydrophobicContact CG2-CG1 4.2Å; I7-V9 HydrophobicContact CG2-CG2 4.02Å; I7-V66 CarbonylContact C-O 3.59Å; I7-V66 WeakPolarHBondContact CA-O 3.47Å; I7-V66 HydrophobicContact CG2-CB 4.48Å; I7-I122 HydrophobicContact CD1-CD1 3.67Å; I7-I122 HydrophobicContact CD1-CG1 4.24Å; I7-I122 HydrophobicContact CG1-CD1 4.39Å; I7-F135 HydrophobicContact CD1-CB 4.3Å; I7-F135 HydrophobicContact CD1-CD1 3.81Å; I7-F135 HydrophobicContact CD1-CG 4.3Å; I7-L136 PolarHBondContact N-O 3.03Å; I7-V137 CarbonylContact O-C 3.54Å; I7-V137 WeakPolarHBondContact O-CA 3.36Å; I7-F138 PolarHBondContact O-N 3.32Å; I7-L153 HydrophobicContact CD1-CD2 4.31Å; I7-L153 HydrophobicContact CG2-CD2 3.83Å; I7-L157 HydrophobicContact CD1-CD1 3.83Å
8	H	98.5	Very high	93.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116	-175.8	-50.4	84.2	0	0	0	108.6	G17 W21 V66 F67 V68 F138	H8-G17 WeakPolarHBondContact CD2-CA 3.41Å; H8-G17 WeakPolarHBondContact NE2-CA 3.5Å; H8-W21 AromaticContact CE1-CD1 3.99Å; H8-W21 AromaticContact CE1-NE1 3.19Å; H8-W21 PolarHBondContact CE1-NE1 2.82Å; H8-W21 AromaticContact NE2-NE1 3.44Å; H8-W21 PolarHBondContact NE2-NE1 2.9Å; H8-V66 PolarHBondContact N-O 3.16Å; H8-V66 PolarHBondContact ND1-O 2.85Å; H8-F67 HydrophobicContact CB-CD1 3.71Å; H8-F67 HydrophobicContact CB-CE1 4.02Å; H8-F67 HydrophobicContact CB-CG 4.3Å; H8-F67 AromaticContact CE1-CZ 3.98Å; H8-F67 AromaticContact CG-CD1 3.93Å; H8-F67 AromaticContact CG-CE1 3.77Å; H8-F67 AromaticContact ND1-CD1 3.97Å; H8-F67 AromaticContact ND1-CE1 3.77Å; H8-F67 AromaticContact ND1-CE2 3.93Å; H8-F67 AromaticContact ND1-CZ 3.75Å; H8-V68 PolarHBondContact O-N 2.85Å; H8-F138 AromaticContact CD2-CD2 3.56Å; H8-F138 AromaticContact CD2-CG 3.78Å; H8-F138 AromaticContact NE2-CD2 3.66Å; H8-F138 AromaticContact NE2-CE2 3.93Å
9	V	98.3	Very high	93.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.2	-170.5	-177.5	0	0	0	0	111	I7 V68 F138 H139 T145 F149 T150 L153	I7-V9 HydrophobicContact CG2-CG2 4.02Å; V9-V68 WeakPolarHBondContact CA-O 3.07Å; V9-F138 PolarHBondContact N-O 3.08Å; V9-H139 HydrophobicContact CB-CB 4.29Å; V9-T145 HydrophobicContact CG1-CG2 3.98Å; V9-F149 HydrophobicContact CG1-CB 4.31Å; V9-F149 HydrophobicContact CG1-CD1 3.72Å; V9-F149 HydrophobicContact CG1-CG 4.49Å; V9-F149 HydrophobicContact CG2-CD1 4.49Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.21Å; V9-L153 HydrophobicContact CG2-CD2 4.24Å
10	G	96.8	Very high	94	Very high	2 Å²	2	22.2 Å²	22.2	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	69.9	174.4	179.5	0	0	0	0	0	113.7	A12 G13 V14 V68	G10-A12 PolarHBondContact O-N 3.45Å; G10-G13 PolarHBondContact O-N 3.48Å; G10-G13 VanDerWaalsContact O-N 3.14Å; G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.22Å; G10-V14 PolarHBondContact O-N 3.2Å; G10-V68 PolarHBondContact N-O 3.08Å
11	Q	94.8	Very high	94.2	Very high	91 Å²	91	21.2 Å²	21.2	43%	0.425	10%	0.102	S	C	.	.	H	α-helix	trans	-46.4	-52.3	-176.9	174.7	174.1	-25.9	0	0	114	V14 Q15 D69 V74	Q11-V14 PolarHBondContact O-N 3.36Å; Q11-Q15 HydrophobicContact CG-CG 4.47Å; Q11-Q15 WeakPolarHBondContact O-CB 3.5Å; Q11-Q15 VanDerWaalsContact O-CG 3.31Å; Q11-Q15 WeakPolarHBondContact O-CG 3.22Å; Q11-Q15 PolarHBondContact O-N 2.91Å; Q11-D69 PolarHBondContact N-OD2 3.42Å; Q11-D69 VanDerWaalsContact N-OD2 3.14Å; Q11-V74 HydrophobicContact CB-CG2 3.9Å; Q11-V74 HydrophobicContact CG-CG1 4.43Å; Q11-V74 HydrophobicContact CG-CG2 3.74Å
12	A	93.8	Very high	95.6	Very high	24 Å²	24	19.4 Å²	19.4	20%	0.198	9%	0.093	C	C	.	.	H	α-helix	trans	-62.5	-48	-177.6	0	0	0	0	0	111.7	G10 V14 Q15 I16	G10-A12 PolarHBondContact O-N 3.45Å; A12-V14 PolarHBondContact O-N 3.47Å; A12-Q15 PolarHBondContact O-N 3.33Å; A12-I16 WeakPolarHBondContact O-CB 3.35Å; A12-I16 WeakPolarHBondContact O-CD1 3.46Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.35Å; A12-I16 PolarHBondContact O-N 2.94Å
13	G	96.5	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.6	-45.7	178.1	0	0	0	0	0	111.9	G10 G17 F138	G10-G13 PolarHBondContact O-N 3.48Å; G10-G13 VanDerWaalsContact O-N 3.14Å; G13-G17 PolarHBondContact O-N 3.23Å; G13-F138 WeakPolarHBondContact CA-O 3.45Å
14	V	97.3	Very high	96.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-46.7	-180	173.1	0	0	0	0	111.5	G10 Q11 A12 G17 N18 F67 V74 I75 V78	G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.22Å; G10-V14 PolarHBondContact O-N 3.2Å; Q11-V14 PolarHBondContact O-N 3.36Å; A12-V14 PolarHBondContact O-N 3.47Å; V14-G17 PolarHBondContact O-N 2.85Å; V14-N18 PolarHBondContact O-N 3.28Å; V14-F67 HydrophobicContact CB-CD1 4.17Å; V14-F67 HydrophobicContact CG1-CD1 3.87Å; V14-F67 HydrophobicContact CG1-CE1 4.43Å; V14-F67 HydrophobicContact CG2-CB 4.43Å; V14-F67 HydrophobicContact CG2-CD1 4.07Å; V14-V74 HydrophobicContact CB-CG1 3.98Å; V14-V74 HydrophobicContact CG1-CB 4.44Å; V14-V74 HydrophobicContact CG1-CG1 3.63Å; V14-I75 HydrophobicContact CG1-CG1 4.16Å; V14-I75 HydrophobicContact CG2-CD1 4.38Å; V14-I75 HydrophobicContact CG2-CG1 4.08Å; V14-V78 HydrophobicContact CG1-CG2 3.81Å
15	Q	96.3	Very high	96.6	Very high	41 Å²	41	13 Å²	13	19%	0.192	7%	0.069	C	C	.	.	H	α-helix	trans	-67.9	-37	-179.1	-70.2	-178.7	-18.4	0	0	112.7	Q11 A12 A19 V74 N228	Q11-Q15 HydrophobicContact CG-CG 4.47Å; Q11-Q15 WeakPolarHBondContact O-CB 3.5Å; Q11-Q15 VanDerWaalsContact O-CG 3.31Å; Q11-Q15 WeakPolarHBondContact O-CG 3.22Å; Q11-Q15 PolarHBondContact O-N 2.91Å; A12-Q15 PolarHBondContact O-N 3.33Å; Q15-A19 PolarHBondContact O-N 2.76Å; Q15-V74 HydrophobicContact CG-CG1 3.69Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.32Å
16	I	96.4	Very high	96.5	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-44	172	-68.9	164.1	0	0	0	110	A12 N18 A19 C20 F138 I171 N228 I231	A12-I16 WeakPolarHBondContact O-CB 3.35Å; A12-I16 WeakPolarHBondContact O-CD1 3.46Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.35Å; A12-I16 PolarHBondContact O-N 2.94Å; I16-N18 VanDerWaalsContact C-N 3.3Å; I16-N18 PolarHBondContact O-N 2.92Å; I16-A19 PolarHBondContact O-N 3.48Å; I16-A19 VanDerWaalsContact O-N 3.1Å; I16-C20 PolarHBondContact O-N 2.89Å; I16-C20 PolarHBondContact O-SG 3.06Å; I16-F138 HydrophobicContact CG2-CD1 4.06Å; I16-I171 HydrophobicContact CD1-CD1 3.44Å; I16-I171 VanDerWaalsContact CD1-CD1 3.44Å; I16-I171 HydrophobicContact CD1-CG1 3.47Å; I16-I171 VanDerWaalsContact CD1-CG1 3.47Å; I16-N228 HydrophobicContact CG1-CB 4.44Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.45Å; I16-I231 HydrophobicContact CD1-CD1 4.08Å; I16-I231 HydrophobicContact CD1-CG2 4.4Å; I16-I231 HydrophobicContact CG1-CD1 4.31Å; I16-I231 HydrophobicContact CG1-CG2 4.43Å; I16-I231 HydrophobicContact CG2-CG2 3.8Å
17	G	96.4	Very high	96.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-53	-47.7	174.8	0	0	0	0	0	112	H8 G13 V14 A19 C20 W21	H8-G17 WeakPolarHBondContact CD2-CA 3.41Å; H8-G17 WeakPolarHBondContact NE2-CA 3.5Å; G13-G17 PolarHBondContact O-N 3.23Å; V14-G17 PolarHBondContact O-N 2.85Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 3.43Å; G17-C20 PolarHBondContact O-N 2.95Å; G17-W21 PolarHBondContact O-N 2.89Å
18	N	96.4	Very high	95.8	Very high	44 Å²	44	17.5 Å²	17.5	24%	0.235	9%	0.091	C	C	.	.	H	α-helix	trans	-55.1	-46.9	175.9	-80.8	-19.6	0	0	0	112.7	V14 I16 E22 V78	V14-N18 PolarHBondContact O-N 3.28Å; I16-N18 VanDerWaalsContact C-N 3.3Å; I16-N18 PolarHBondContact O-N 2.92Å; N18-E22 WeakPolarHBondContact O-CB 3.31Å; N18-E22 PolarHBondContact O-N 3.43Å; N18-V78 WeakPolarHBondContact ND2-CG2 3.46Å; N18-V78 WeakPolarHBondContact OD1-CG2 3.5Å
19	A	96.4	Very high	95.5	Very high	10 Å²	10	19.3 Å²	19.3	8%	0.083	11%	0.11	C	C	.	.	H	α-helix	trans	-66.5	-40.3	178.1	0	0	0	0	0	112.1	Q15 I16 G17 L23 N228	Q15-A19 PolarHBondContact O-N 2.76Å; I16-A19 PolarHBondContact O-N 3.48Å; I16-A19 VanDerWaalsContact O-N 3.1Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 3.43Å; A19-L23 WeakPolarHBondContact O-CB 3.16Å; A19-L23 PolarHBondContact O-N 2.72Å; A19-L23 VanDerWaalsContact O-N 3.08Å; A19-N228 HydrophobicContact CB-CB 4.13Å
20	C	96.9	Very high	95.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-48.7	176.4	-69.9	0	0	0	0	112	I16 G17 L23 Y24	I16-C20 PolarHBondContact O-N 2.89Å; I16-C20 PolarHBondContact O-SG 3.06Å; G17-C20 PolarHBondContact O-N 2.95Å; C20-L23 PolarHBondContact O-N 3.11Å; C20-Y24 HydrophobicContact CB-CE2 4.4Å; C20-Y24 WeakPolarHBondContact O-CD1 3.21Å; C20-Y24 PolarHBondContact O-N 3.05Å
21	W	97.1	Very high	95.1	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.011	13%	0.13	C	C	.	.	H	α-helix	trans	-72	-32.4	-178.6	-72.5	104.5	0	0	0	112.9	H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87	H8-W21 AromaticContact CE1-CD1 3.99Å; H8-W21 AromaticContact CE1-NE1 3.19Å; H8-W21 PolarHBondContact CE1-NE1 2.82Å; H8-W21 AromaticContact NE2-NE1 3.44Å; H8-W21 PolarHBondContact NE2-NE1 2.9Å; G17-W21 PolarHBondContact O-N 2.89Å; W21-L23 VanDerWaalsContact C-N 3.33Å; W21-Y24 HydrophobicContact CD2-CD2 4.02Å; W21-Y24 AromaticContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CH2-CD2 4.39Å; W21-Y24 AromaticContact CZ3-CD2 3.91Å; W21-Y24 HydrophobicContact CZ3-CD2 3.91Å; W21-Y24 PolarHBondContact O-N 3.35Å; W21-C25 WeakPolarHBondContact O-CB 3.47Å; W21-C25 PolarHBondContact O-N 3.28Å; W21-C25 PolarHBondContact O-SG 3.42Å; W21-F52 HydrophobicContact CH2-CB 4.05Å; W21-F52 AromaticContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CG 4.42Å; W21-F52 WeakPolarHBondContact CH2-O 3.41Å; W21-F52 HydrophobicContact CZ2-CD1 4.4Å; W21-F52 HydrophobicContact CZ3-CB 4.22Å; W21-F52 HydrophobicContact CZ3-CD1 4.43Å; W21-F53 HydrophobicContact CE3-CE1 4.09Å; W21-F53 AromaticContact CE3-CZ 3.83Å; W21-F53 HydrophobicContact CE3-CZ 3.83Å; W21-F53 HydrophobicContact CZ3-CD1 4.46Å; W21-F53 AromaticContact CZ3-CE1 3.92Å; W21-F53 HydrophobicContact CZ3-CE1 3.92Å; W21-F53 HydrophobicContact CZ3-CE2 4.03Å; W21-F53 AromaticContact CZ3-CZ 3.67Å; W21-F53 HydrophobicContact CZ3-CZ 3.67Å; W21-P63 HydrophobicContact CD2-CB 4Å; W21-P63 HydrophobicContact CD2-CG 4.26Å; W21-P63 HydrophobicContact CE3-CB 3.67Å; W21-P63 HydrophobicContact CE3-CG 3.77Å; W21-P63 HydrophobicContact CH2-CB 3.76Å; W21-P63 HydrophobicContact CZ2-CB 4.08Å; W21-P63 HydrophobicContact CZ3-CB 3.54Å; W21-P63 HydrophobicContact CZ3-CG 4Å; W21-A65 HydrophobicContact CZ2-CB 3.68Å; W21-F67 AromaticContact CD1-CZ 3.75Å; W21-F87 HydrophobicContact CB-CE1 4.3Å; W21-F87 HydrophobicContact CB-CZ 3.86Å; W21-F87 HydrophobicContact CD2-CE1 4.33Å; W21-F87 AromaticContact CG-CE1 3.95Å; W21-F87 HydrophobicContact CG-CE1 3.95Å; W21-F87 AromaticContact CG-CZ 3.96Å; W21-F87 HydrophobicContact CG-CZ 3.96Å
22	E	96.6	Very high	95.1	Very high	52 Å²	52	21.7 Å²	21.7	24%	0.243	13%	0.125	C	C	.	.	H	α-helix	trans	-56.2	-50.6	167.4	172.7	174.5	-140.5	0	0	110.2	N18 C25 L26 Y83 V363	N18-E22 WeakPolarHBondContact O-CB 3.31Å; N18-E22 PolarHBondContact O-N 3.43Å; E22-C25 PolarHBondContact O-N 3.13Å; E22-L26 HydrophobicContact CG-CD1 4.29Å; E22-L26 WeakPolarHBondContact O-CG 3.1Å; E22-L26 PolarHBondContact O-N 3.27Å; E22-L26 VanDerWaalsContact O-N 3.1Å; E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.8Å; E22-V363 HydrophobicContact CG-CG1 4.26Å; E22-V363 HydrophobicContact CG-CG2 4.44Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.43Å
23	L	95.9	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-42.7	179.6	-178.8	57.7	0	0	0	112.5	A19 C20 W21 C25 L26 E27 S232 Q233 T361 V363	A19-L23 WeakPolarHBondContact O-CB 3.16Å; A19-L23 PolarHBondContact O-N 2.72Å; A19-L23 VanDerWaalsContact O-N 3.08Å; C20-L23 PolarHBondContact O-N 3.11Å; W21-L23 VanDerWaalsContact C-N 3.33Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 2.87Å; L23-L26 PolarHBondContact O-N 3.11Å; L23-E27 HydrophobicContact CD1-CG 4.19Å; L23-E27 HydrophobicContact CG-CG 4.43Å; L23-E27 WeakPolarHBondContact O-CG 3.45Å; L23-E27 PolarHBondContact O-N 3.49Å; L23-S232 WeakPolarHBondContact CD2-O 3.35Å; L23-Q233 HydrophobicContact CD2-CG 4.32Å; L23-T361 HydrophobicContact CD1-CG2 4.3Å; L23-T361 WeakPolarHBondContact CD1-O 3.44Å; L23-V363 HydrophobicContact CD1-CG2 4.37Å
24	Y	95.6	Very high	94.8	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-41.8	176.8	-63.9	-14.2	0	0	0	111.8	C20 W21 L26 E27 H28 F52 V235 T239	C20-Y24 HydrophobicContact CB-CE2 4.4Å; C20-Y24 WeakPolarHBondContact O-CD1 3.21Å; C20-Y24 PolarHBondContact O-N 3.05Å; W21-Y24 HydrophobicContact CD2-CD2 4.02Å; W21-Y24 AromaticContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CH2-CD2 4.39Å; W21-Y24 AromaticContact CZ3-CD2 3.91Å; W21-Y24 HydrophobicContact CZ3-CD2 3.91Å; W21-Y24 PolarHBondContact O-N 3.35Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 3.3Å; Y24-E27 PolarHBondContact O-N 2.97Å; Y24-H28 PolarHBondContact O-CD2 3.07Å; Y24-H28 PolarHBondContact O-N 3.36Å; Y24-F52 HydrophobicContact CD2-CD1 4.25Å; Y24-F52 AromaticContact CE2-CD1 3.87Å; Y24-F52 HydrophobicContact CE2-CD1 3.87Å; Y24-F52 AromaticContact CE2-CE1 3.94Å; Y24-F52 HydrophobicContact CE2-CE1 3.94Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.41Å; Y24-T239 PolarHBondContact OH-OG1 3.28Å; Y24-T239 VanDerWaalsContact OH-OG1 3.04Å
25	C	94.8	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-44	175.9	-70	0	0	0	0	111.4	W21 E22 L23 H28 G29 I30 Y83 L86	W21-C25 WeakPolarHBondContact O-CB 3.47Å; W21-C25 PolarHBondContact O-N 3.28Å; W21-C25 PolarHBondContact O-SG 3.42Å; E22-C25 PolarHBondContact O-N 3.13Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 2.87Å; C25-H28 PolarHBondContact O-N 3.17Å; C25-G29 CarbonylContact O-C 3.54Å; C25-G29 WeakPolarHBondContact O-CA 3.46Å; C25-G29 PolarHBondContact O-N 3.5Å; C25-I30 HydrophobicContact CB-CB 4.22Å; C25-I30 WeakPolarHBondContact CB-O 3.43Å; C25-I30 PolarHBondContact O-N 2.95Å; C25-Y83 HydrophobicContact CB-CE1 3.94Å; C25-L86 VanDerWaalsContact SG-CD2 3.52Å
26	L	94.5	Very high	94.1	Very high	60 Å²	60	26 Å²	26	31%	0.314	14%	0.144	S	C	.	.	H	α-helix	trans	-64.5	-40.2	177.6	-67.7	171.2	0	0	0	112.7	E22 L23 Y24 G29 T361 V363	E22-L26 HydrophobicContact CG-CD1 4.29Å; E22-L26 WeakPolarHBondContact O-CG 3.1Å; E22-L26 PolarHBondContact O-N 3.27Å; E22-L26 VanDerWaalsContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 3.11Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 3.3Å; L26-G29 PolarHBondContact O-N 3.08Å; L26-T361 HydrophobicContact CB-CG2 3.96Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.25Å; L26-V363 HydrophobicContact CD1-CG2 4.06Å
27	E	92.4	Very high	93.4	Very high	19 Å²	19	30.3 Å²	30.3	9%	0.089	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-34.6	178.9	-73	-173.9	177	0	0	112.9	L23 Y24 S236 R243 F244 R320 T361	L23-E27 HydrophobicContact CD1-CG 4.19Å; L23-E27 HydrophobicContact CG-CG 4.43Å; L23-E27 WeakPolarHBondContact O-CG 3.45Å; L23-E27 PolarHBondContact O-N 3.49Å; Y24-E27 PolarHBondContact O-N 2.97Å; E27-S236 VanDerWaalsContact CD-OG 3.25Å; E27-S236 PolarHBondContact OE1-OG 2.88Å; E27-S236 PolarHBondContact OE2-OG 3.06Å; E27-R243 IonicContact OE2-CZ 3.53Å; E27-R243 IonicContact OE2-NH1 2.85Å; E27-R243 PolarHBondContact OE2-NH1 3.41Å; E27-R243 IonicContact OE2-NH2 3.92Å; E27-R243 PolarHBondContact OE2-NH2 3.14Å; E27-F244 HydrophobicContact CB-CZ 3.95Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.37Å; E27-R320 IonicContact OE1-CZ 2.65Å; E27-R320 IonicContact OE1-NH1 3.65Å; E27-R320 PolarHBondContact OE1-NH1 3.37Å; E27-R320 IonicContact OE1-NH2 2.71Å; E27-R320 IonicContact OE2-CZ 2.67Å; E27-R320 IonicContact OE2-NH1 3.82Å; E27-R320 PolarHBondContact OE2-NH1 3.41Å; E27-R320 IonicContact OE2-NH2 3.96Å; E27-R320 PolarHBondContact OE2-NH2 3.33Å; E27-T361 HydrophobicContact CG-CG2 4.26Å
28	H	90.9	Very high	92.4	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.069	20%	0.196	C	C	.	.	H	α-helix	trans	-94.9	-2.7	179.5	-65.8	-68.2	0	0	0	113.8	Y24 C25 I30 M36 F49 R243 F244	Y24-H28 PolarHBondContact O-CD2 3.07Å; Y24-H28 PolarHBondContact O-N 3.36Å; C25-H28 PolarHBondContact O-N 3.17Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.95Å; H28-I30 HydrophobicContact CB-CG1 4.01Å; H28-I30 PolarHBondContact O-N 3.34Å; H28-M36 VanDerWaalsContact O-CE 3.22Å; H28-M36 WeakPolarHBondContact O-CE 3.36Å; H28-F49 WeakPolarHBondContact ND1-CB 3.34Å; H28-R243 PolarHBondContact NE2-NH1 2.99Å; H28-F244 AromaticContact CE1-CD1 3.91Å; H28-F244 AromaticContact CE1-CE1 3.16Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.4Å; H28-F244 AromaticContact CE1-CZ 3.24Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.01Å; H28-F244 AromaticContact ND1-CE1 3.45Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.2Å; H28-F244 AromaticContact ND1-CZ 3.74Å; H28-F244 AromaticContact NE2-CZ 3.67Å
29	G	90.8	Very high	91	Very high	40 Å²	40	32.7 Å²	32.7	41%	0.412	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	25.4	-177.3	0	0	0	0	0	114	C25 L26	C25-G29 CarbonylContact O-C 3.54Å; C25-G29 WeakPolarHBondContact O-CA 3.46Å; C25-G29 PolarHBondContact O-N 3.5Å; L26-G29 PolarHBondContact O-N 3.08Å
30	I	93.2	Very high	89.6	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.036	23%	0.227	C	C	.	.			trans	-84.6	130.1	176.3	-59.2	171.2	0	0	0	108.6	C25 H28 M36 F53 H61 L86	C25-I30 HydrophobicContact CB-CB 4.22Å; C25-I30 WeakPolarHBondContact CB-O 3.43Å; C25-I30 PolarHBondContact O-N 2.95Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.95Å; H28-I30 HydrophobicContact CB-CG1 4.01Å; H28-I30 PolarHBondContact O-N 3.34Å; I30-M36 HydrophobicContact CG1-CB 4.27Å; I30-M36 HydrophobicContact CG1-CG 4.3Å; I30-M36 HydrophobicContact CG1-SD 3.96Å; I30-F53 HydrophobicContact CD1-CD1 3.87Å; I30-F53 HydrophobicContact CD1-CD2 3.92Å; I30-F53 HydrophobicContact CD1-CE1 3.69Å; I30-F53 HydrophobicContact CD1-CE2 3.76Å; I30-F53 HydrophobicContact CD1-CG 3.98Å; I30-F53 HydrophobicContact CD1-CZ 3.64Å; I30-H61 HydrophobicContact CD1-CB 4.12Å; I30-H61 HydrophobicContact CG2-CB 4.37Å; I30-L86 HydrophobicContact CG2-CD1 4.33Å
31	Q	94	Very high	88	Confident	87 Å²	87	44.7 Å²	44.7	41%	0.407	25%	0.246	S	C	.	.			trans	-78.1	160.8	177.8	-65.8	-173.7	5.6	0	0	111.3	D33 G34 Q35	Q31-D33 VanDerWaalsContact CB-OD1 3.22Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.37Å; Q31-D33 PolarHBondContact O-N 3.35Å; Q31-G34 WeakPolarHBondContact O-CA 3.32Å; Q31-G34 PolarHBondContact O-N 2.96Å; Q31-Q35 WeakPolarHBondContact CB-O 3.36Å; Q31-Q35 PolarHBondContact N-O 3.06Å
32	P	94.6	Very high	86.3	Confident	49 Å²	49	50.3 Å²	50.3	32%	0.318	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.6	-179.9	-25.3	35.2	0	0	0	116	G34 T82 Y83	P32-G34 VanDerWaalsContact C-N 3.34Å; P32-T82 HydrophobicContact CB-CG2 4.13Å; P32-T82 HydrophobicContact CG-CG2 4.1Å; P32-Y83 HydrophobicContact CB-CD1 3.8Å; P32-Y83 HydrophobicContact CB-CE1 3.86Å; P32-Y83 HydrophobicContact CB-CG 4.42Å; P32-Y83 HydrophobicContact CG-CD1 4.39Å; P32-Y83 HydrophobicContact CG-CE1 3.95Å
33	D	92.1	Very high	84.3	Confident	57 Å²	57	50.7 Å²	50.7	31%	0.305	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.3	173.2	66.7	-7.7	0	0	0	113.4	Q31 Q35 K60	Q31-D33 VanDerWaalsContact CB-OD1 3.22Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.37Å; Q31-D33 PolarHBondContact O-N 3.35Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.44Å; D33-Q35 PolarHBondContact OD1-N 2.9Å; D33-K60 WeakPolarHBondContact O-CE 3.47Å
34	G	91.6	Very high	82.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	86.5	5	-177.7	0	0	0	0	0	114.3	Q31 P32 K60 H61	Q31-G34 WeakPolarHBondContact O-CA 3.32Å; Q31-G34 PolarHBondContact O-N 2.96Å; P32-G34 VanDerWaalsContact C-N 3.34Å; G34-K60 WeakPolarHBondContact O-CA 3.34Å; G34-H61 WeakPolarHBondContact O-CB 3.49Å; G34-H61 PolarHBondContact O-N 2.86Å; G34-H61 PolarHBondContact O-ND1 3.05Å
35	Q	90.7	Very high	80.2	Confident	77 Å²	77	54.3 Å²	54.3	36%	0.36	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-78.7	142	175.6	-68.5	-69.5	-24.8	0	0	111.2	Q31 D33 A58	Q31-Q35 WeakPolarHBondContact CB-O 3.36Å; Q31-Q35 PolarHBondContact N-O 3.06Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.44Å; D33-Q35 PolarHBondContact OD1-N 2.9Å; Q35-A58 PolarHBondContact NE2-O 3.26Å
36	M	88.1	Confident	78.5	Confident	22 Å²	22	61.1 Å²	61.1	11%	0.108	37%	0.367	C	S	.	.			trans	-124.8	91.3	176	-174.3	170.7	167.7	0	0	109.4	H28 I30 S38 D39 F49	H28-M36 VanDerWaalsContact O-CE 3.22Å; H28-M36 WeakPolarHBondContact O-CE 3.36Å; I30-M36 HydrophobicContact CG1-CB 4.27Å; I30-M36 HydrophobicContact CG1-CG 4.3Å; I30-M36 HydrophobicContact CG1-SD 3.96Å; M36-S38 VanDerWaalsContact CE-OG 3.31Å; M36-S38 WeakPolarHBondContact CE-OG 3.33Å; M36-S38 WeakPolarHBondContact CG-OG 3.38Å; M36-S38 PolarHBondContact O-N 3.1Å; M36-S38 VanDerWaalsContact O-N 3.07Å; M36-D39 HydrophobicContact CB-CB 4.11Å; M36-D39 HydrophobicContact CE-CB 4.49Å; M36-D39 HydrophobicContact CG-CB 3.94Å; M36-D39 PolarHBondContact O-N 2.84Å; M36-D39 HydrophobicContact SD-CB 4.12Å; M36-F49 HydrophobicContact CE-CD1 4.4Å; M36-F49 HydrophobicContact CE-CE1 3.8Å; M36-F49 HydrophobicContact CE-CZ 4.08Å; M36-F49 HydrophobicContact SD-CE1 4.17Å; M36-F49 HydrophobicContact SD-CE2 4.23Å; M36-F49 HydrophobicContact SD-CZ 3.89Å
37	P	82.2	Confident	77.3	Confident	93 Å²	93	61.6 Å²	61.6	60%	0.604	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.3	-175.4	-23.6	33.2	0	0	0	114.6
38	S	75.1	Confident	76.4	Confident	75 Å²	75	63.1 Å²	63.1	52%	0.524	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21.1	176.7	46.7	0	0	0	0	113.5	M36 K40	M36-S38 VanDerWaalsContact CE-OG 3.31Å; M36-S38 WeakPolarHBondContact CE-OG 3.33Å; M36-S38 WeakPolarHBondContact CG-OG 3.38Å; M36-S38 PolarHBondContact O-N 3.1Å; M36-S38 VanDerWaalsContact O-N 3.07Å; S38-K40 PolarHBondContact O-N 3.19Å
39	D	68.4	Low	75.8	Confident	20 Å²	20	63 Å²	63	11%	0.107	38%	0.382	C	S	.	.			trans	-77.2	119.7	177.2	-178.6	13	0	0	0	109.8	M36 T41 H61	M36-D39 HydrophobicContact CB-CB 4.11Å; M36-D39 HydrophobicContact CE-CB 4.49Å; M36-D39 HydrophobicContact CG-CB 3.94Å; M36-D39 PolarHBondContact O-N 2.84Å; M36-D39 HydrophobicContact SD-CB 4.12Å; D39-T41 WeakPolarHBondContact OD1-CA 3.31Å; D39-T41 PolarHBondContact OD1-N 2.78Å; D39-T41 PolarHBondContact OD1-OG1 3.45Å; D39-H61 IonicContact OD2-CE1 2.79Å; D39-H61 PolarHBondContact OD2-CE1 2.99Å; D39-H61 IonicContact OD2-NE2 3.89Å; D39-H61 PolarHBondContact OD2-NE2 2.92Å
40	K	65.8	Low	75.5	Confident	196 Å²	196	61.6 Å²	61.6	85%	0.852	37%	0.365	S	S	*	.			trans	-100.8	-2.3	179	-65.2	-173.2	-179.7	178.9	0	112.3	S38	S38-K40 PolarHBondContact O-N 3.19Å
41	T	63.4	Low	75.2	Confident	65 Å²	65	61.9 Å²	61.9	40%	0.399	37%	0.367	S	S	.	.			trans	-110.7	53.7	-173.1	39.8	0	0	0	0	111.7	D39 G43 G44	D39-T41 WeakPolarHBondContact OD1-CA 3.31Å; D39-T41 PolarHBondContact OD1-N 2.78Å; D39-T41 PolarHBondContact OD1-OG1 3.45Å; T41-G43 PolarHBondContact O-N 3.33Å; T41-G44 PolarHBondContact O-N 3.47Å
42	I	60.8	Low	75.2	Confident	122 Å²	122	57.7 Å²	57.7	63%	0.626	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	114.6	176.3	-57.9	172.4	0	0	0	109.7	E55	I42-E55 VanDerWaalsContact CA-OE1 3.29Å; I42-E55 WeakPolarHBondContact CA-OE1 3.36Å
43	G	55.6	Low	75.1	Confident	59 Å²	59	55.4 Å²	55.4	61%	0.608	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	20.4	173.9	0	0	0	0	0	116	T41 E55	T41-G43 PolarHBondContact O-N 3.33Å; G43-E55 VanDerWaalsContact N-CD 3.28Å; G43-E55 PolarHBondContact N-OE1 3.16Å; G43-E55 PolarHBondContact N-OE2 3.42Å; G43-E55 VanDerWaalsContact N-OE2 3.13Å
44	G	53.7	Low	75.1	Confident	67 Å²	67	53.5 Å²	53.5	69%	0.691	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.9	46.9	174.5	0	0	0	0	0	118.5	T41 E55	T41-G44 PolarHBondContact O-N 3.47Å; G44-E55 PolarHBondContact N-OE2 2.78Å
45	G	52.1	Low	74.9	Confident	11 Å²	11	55.8 Å²	55.8	11%	0.113	33%	0.334	C	S	.	.			trans	-89.6	132	164.5	0	0	0	0	0	112.1	D47 N50	G45-D47 PolarHBondContact O-N 2.8Å; G45-D47 VanDerWaalsContact O-N 3.11Å; G45-N50 PolarHBondContact O-ND2 3.24Å
46	D	59	Low	74.7	Confident	142 Å²	142	54.6 Å²	54.6	76%	0.759	33%	0.332	S	S	*	.			trans	-82.9	47.2	170.1	-83.6	-28.4	0	0	0	111
47	D	69.6	Low	74.4	Confident	70 Å²	70	57.3 Å²	57.3	37%	0.374	37%	0.366	S	S	.	.			trans	-77.4	149.3	-177.6	-74.7	-24.3	0	0	0	112.1	G45 F49 N50	G45-D47 PolarHBondContact O-N 2.8Å; G45-D47 VanDerWaalsContact O-N 3.11Å; D47-F49 HydrophobicContact CB-CD1 3.65Å; D47-F49 HydrophobicContact CB-CE1 3.2Å; D47-F49 HydrophobicContact CB-CE2 4.3Å; D47-F49 HydrophobicContact CB-CG 4.38Å; D47-F49 HydrophobicContact CB-CZ 3.57Å; D47-F49 PolarHBondContact O-N 3.41Å; D47-F49 VanDerWaalsContact OD2-CE1 3.31Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.4Å; D47-F49 WeakPolarHBondContact OD2-CZ 3.46Å; D47-N50 WeakPolarHBondContact O-CB 3.49Å; D47-N50 PolarHBondContact O-N 2.99Å
48	S	73.4	Confident	74.5	Confident	52 Å²	52	56.5 Å²	56.5	36%	0.364	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.1	-19.4	-174.7	48.2	0	0	0	0	114.7	T51 R243	S48-T51 WeakPolarHBondContact O-CG2 3.2Å; S48-T51 PolarHBondContact O-OG1 3.44Å; S48-R243 CarbonylContact C-O 3.58Å; S48-R243 WeakPolarHBondContact CB-O 3.2Å; S48-R243 PolarHBondContact OG-O 3.42Å
49	F	77.2	Confident	74.9	Confident	13 Å²	13	53.1 Å²	53.1	6%	0.057	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-80.8	-15.1	177.2	60.6	-101.9	0	0	0	114	H28 M36 D47 T51 F52 F53 H61	H28-F49 WeakPolarHBondContact ND1-CB 3.34Å; M36-F49 HydrophobicContact CE-CD1 4.4Å; M36-F49 HydrophobicContact CE-CE1 3.8Å; M36-F49 HydrophobicContact CE-CZ 4.08Å; M36-F49 HydrophobicContact SD-CE1 4.17Å; M36-F49 HydrophobicContact SD-CE2 4.23Å; M36-F49 HydrophobicContact SD-CZ 3.89Å; D47-F49 HydrophobicContact CB-CD1 3.65Å; D47-F49 HydrophobicContact CB-CE1 3.2Å; D47-F49 HydrophobicContact CB-CE2 4.3Å; D47-F49 HydrophobicContact CB-CG 4.38Å; D47-F49 HydrophobicContact CB-CZ 3.57Å; D47-F49 PolarHBondContact O-N 3.41Å; D47-F49 VanDerWaalsContact OD2-CE1 3.31Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.4Å; D47-F49 WeakPolarHBondContact OD2-CZ 3.46Å; F49-T51 PolarHBondContact O-N 2.75Å; F49-T51 VanDerWaalsContact O-N 3.08Å; F49-F52 PolarHBondContact O-N 3.03Å; F49-F53 PolarHBondContact O-N 3.31Å; F49-F53 VanDerWaalsContact O-N 3.08Å; F49-H61 AromaticContact CE2-CD2 3.61Å; F49-H61 AromaticContact CE2-NE2 3.5Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.34Å
50	N	85	Confident	76	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.053	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-67.8	-6.9	175.7	-76.6	-17.5	0	0	0	113.3	M1 G45 D47 F52 F53 R64	M1-N50 HydrophobicContact CE-CB 4.41Å; M1-N50 HydrophobicContact SD-CB 3.4Å; M1-N50 WeakPolarHBondContact SD-CB 3.24Å; G45-N50 PolarHBondContact O-ND2 3.24Å; D47-N50 WeakPolarHBondContact O-CB 3.49Å; D47-N50 PolarHBondContact O-N 2.99Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-F53 CarbonylContact C-O 3.51Å; N50-F53 WeakPolarHBondContact CA-O 3.4Å; N50-R64 PolarHBondContact O-NE 2.91Å; N50-R64 PolarHBondContact O-NH2 3.14Å
51	T	87.4	Confident	77.2	Confident	12 Å²	12	45.6 Å²	45.6	7%	0.074	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-61.2	-36.6	166.9	54.6	0	0	0	0	111.9	R2 E3 C4 S48 F49 L242	R2-T51 HydrophobicContact CB-CG2 4.33Å; R2-T51 WeakPolarHBondContact O-CB 3.3Å; R2-T51 VanDerWaalsContact O-CG2 3.25Å; R2-T51 WeakPolarHBondContact O-CG2 3.23Å; E3-T51 WeakPolarHBondContact CA-O 3.24Å; C4-T51 PolarHBondContact N-O 3.34Å; S48-T51 WeakPolarHBondContact O-CG2 3.2Å; S48-T51 PolarHBondContact O-OG1 3.44Å; F49-T51 PolarHBondContact O-N 2.75Å; F49-T51 VanDerWaalsContact O-N 3.08Å; T51-L242 WeakPolarHBondContact CB-O 3.41Å; T51-L242 WeakPolarHBondContact CG2-O 3.22Å; T51-L242 PolarHBondContact OG1-O 2.74Å
52	F	92.7	Very high	78.7	Confident	0 Å²	0	43 Å²	43	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-20.9	-177.8	-83.2	-116.3	0	0	0	113.4	C4 W21 Y24 F49 N50 R64 L136 T239 L242 R243	C4-F52 HydrophobicContact CB-CD2 4.47Å; C4-F52 HydrophobicContact CB-CE2 3.99Å; C4-F52 HydrophobicContact CB-CZ 4.23Å; W21-F52 HydrophobicContact CH2-CB 4.05Å; W21-F52 AromaticContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CG 4.42Å; W21-F52 WeakPolarHBondContact CH2-O 3.41Å; W21-F52 HydrophobicContact CZ2-CD1 4.4Å; W21-F52 HydrophobicContact CZ3-CB 4.22Å; W21-F52 HydrophobicContact CZ3-CD1 4.43Å; Y24-F52 HydrophobicContact CD2-CD1 4.25Å; Y24-F52 AromaticContact CE2-CD1 3.87Å; Y24-F52 HydrophobicContact CE2-CD1 3.87Å; Y24-F52 AromaticContact CE2-CE1 3.94Å; Y24-F52 HydrophobicContact CE2-CE1 3.94Å; F49-F52 PolarHBondContact O-N 3.03Å; N50-F52 VanDerWaalsContact C-N 3.27Å; F52-R64 WeakPolarHBondContact O-CB 3.43Å; F52-R64 WeakPolarHBondContact O-CG 3.35Å; F52-R64 PolarHBondContact O-N 2.77Å; F52-L136 HydrophobicContact CE1-CD1 3.8Å; F52-L136 HydrophobicContact CZ-CD1 3.62Å; F52-T239 HydrophobicContact CE1-CG2 4.39Å; F52-T239 HydrophobicContact CZ-CG2 4.01Å; F52-L242 HydrophobicContact CE2-CB 3.81Å; F52-L242 HydrophobicContact CE2-CD1 4.13Å; F52-L242 HydrophobicContact CZ-CD1 4.21Å; F52-R243 HydrophobicContact CB-CG 4.46Å; F52-R243 HydrophobicContact CD1-CG 4.43Å; F52-R243 HydrophobicContact CD2-CG 3.46Å; F52-R243 VanDerWaalsContact CD2-CG 3.46Å; F52-R243 HydrophobicContact CE2-CG 3.68Å; F52-R243 HydrophobicContact CG-CG 3.87Å; F52-R243 HydrophobicContact CZ-CG 4.24Å
53	F	93.1	Very high	80.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	150.7	177.6	-64.5	-92	0	0	0	111.4	W21 I30 F49 N50 H61 P63 R64	W21-F53 HydrophobicContact CE3-CE1 4.09Å; W21-F53 AromaticContact CE3-CZ 3.83Å; W21-F53 HydrophobicContact CE3-CZ 3.83Å; W21-F53 HydrophobicContact CZ3-CD1 4.46Å; W21-F53 AromaticContact CZ3-CE1 3.92Å; W21-F53 HydrophobicContact CZ3-CE1 3.92Å; W21-F53 HydrophobicContact CZ3-CE2 4.03Å; W21-F53 AromaticContact CZ3-CZ 3.67Å; W21-F53 HydrophobicContact CZ3-CZ 3.67Å; I30-F53 HydrophobicContact CD1-CD1 3.87Å; I30-F53 HydrophobicContact CD1-CD2 3.92Å; I30-F53 HydrophobicContact CD1-CE1 3.69Å; I30-F53 HydrophobicContact CD1-CE2 3.76Å; I30-F53 HydrophobicContact CD1-CG 3.98Å; I30-F53 HydrophobicContact CD1-CZ 3.64Å; F49-F53 PolarHBondContact O-N 3.31Å; F49-F53 VanDerWaalsContact O-N 3.08Å; N50-F53 CarbonylContact C-O 3.51Å; N50-F53 WeakPolarHBondContact CA-O 3.4Å; F53-H61 HydrophobicContact CB-CB 4.36Å; F53-H61 HydrophobicContact CD1-CB 4.17Å; F53-P63 HydrophobicContact CD1-CG 4.18Å; F53-P63 HydrophobicContact CE1-CG 3.85Å; F53-R64 PolarHBondContact O-NE 2.61Å; F53-R64 VanDerWaalsContact O-NE 3.16Å; F53-R64 PolarHBondContact O-NH2 2.92Å
54	S	91.3	Very high	82.4	Confident	17 Å²	17	35.1 Å²	35.1	12%	0.119	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.6	167.2	58.4	0	0	0	0	108.6	H61 V62	S54-H61 CarbonylContact O-C 3.42Å; S54-H61 WeakPolarHBondContact O-CA 3.47Å; S54-V62 PolarHBondContact N-O 2.85Å; S54-V62 PolarHBondContact O-N 2.95Å; S54-V62 PolarHBondContact OG-O 2.7Å
55	E	87.9	Confident	84.5	Confident	48 Å²	48	31.9 Å²	31.9	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133	178.2	-155.9	-161.4	157.9	0	0	110.2	I42 G43 G44	I42-E55 VanDerWaalsContact CA-OE1 3.29Å; I42-E55 WeakPolarHBondContact CA-OE1 3.36Å; G43-E55 VanDerWaalsContact N-CD 3.28Å; G43-E55 PolarHBondContact N-OE1 3.16Å; G43-E55 PolarHBondContact N-OE2 3.42Å; G43-E55 VanDerWaalsContact N-OE2 3.13Å; G44-E55 PolarHBondContact N-OE2 2.78Å
56	T	87	Confident	86.7	Confident	52 Å²	52	31.4 Å²	31.4	32%	0.319	20%	0.2	S	C	.	.			trans	-93.7	158	170.7	66.3	0	0	0	0	110.2	A58 G59 K60 V62	T56-A58 PolarHBondContact O-N 3.29Å; T56-G59 PolarHBondContact O-N 3.36Å; T56-K60 PolarHBondContact N-O 2.8Å; T56-K60 WeakPolarHBondContact OG1-CB 3.41Å; T56-K60 PolarHBondContact OG1-N 2.89Å; T56-K60 PolarHBondContact OG1-O 2.74Å; T56-V62 HydrophobicContact CG2-CG2 3.99Å
57	G	81.8	Confident	88.5	Confident	80 Å²	80	24.6 Å²	24.6	83%	0.825	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.7	177.5	0	0	0	0	0	115.7
58	A	84.1	Confident	89.9	Confident	75 Å²	75	21.3 Å²	21.3	62%	0.62	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	9.3	173.3	0	0	0	0	0	113.4	Q35 T56 K60	Q35-A58 PolarHBondContact NE2-O 3.26Å; T56-A58 PolarHBondContact O-N 3.29Å; A58-K60 PolarHBondContact O-N 3.39Å
59	G	83.8	Confident	91.1	Very high	4 Å²	4	19 Å²	19	4%	0.041	13%	0.13	C	C	.	.	S	Bend	trans	73.5	10.1	-176.3	0	0	0	0	0	114.1	T56 H61	T56-G59 PolarHBondContact O-N 3.36Å; G59-H61 PolarHBondContact O-ND1 3.01Å
60	K	91	Very high	91.9	Very high	58 Å²	58	18.4 Å²	18.4	25%	0.252	13%	0.127	S	C	.	.	B	Isolated β-bridge	trans	-84.4	127.4	176.5	-178.3	-171.8	179	-171.3	0	110	D33 G34 T56 A58 V62 Q85	D33-K60 WeakPolarHBondContact O-CE 3.47Å; G34-K60 WeakPolarHBondContact O-CA 3.34Å; T56-K60 PolarHBondContact N-O 2.8Å; T56-K60 WeakPolarHBondContact OG1-CB 3.41Å; T56-K60 PolarHBondContact OG1-N 2.89Å; T56-K60 PolarHBondContact OG1-O 2.74Å; A58-K60 PolarHBondContact O-N 3.39Å; K60-V62 HydrophobicContact CD-CG2 4.19Å; K60-V62 HydrophobicContact CG-CG2 4.22Å; K60-Q85 WeakPolarHBondContact CE-O 3.45Å; K60-Q85 PolarHBondContact NZ-O 3.33Å
61	H	92.1	Very high	92.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.2	175.4	-64.3	73.6	0	0	0	109.7	I30 G34 D39 F49 F53 S54 G59	I30-H61 HydrophobicContact CD1-CB 4.12Å; I30-H61 HydrophobicContact CG2-CB 4.37Å; G34-H61 WeakPolarHBondContact O-CB 3.49Å; G34-H61 PolarHBondContact O-N 2.86Å; G34-H61 PolarHBondContact O-ND1 3.05Å; D39-H61 IonicContact OD2-CE1 2.79Å; D39-H61 PolarHBondContact OD2-CE1 2.99Å; D39-H61 IonicContact OD2-NE2 3.89Å; D39-H61 PolarHBondContact OD2-NE2 2.92Å; F49-H61 AromaticContact CE2-CD2 3.61Å; F49-H61 AromaticContact CE2-NE2 3.5Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.34Å; F53-H61 HydrophobicContact CB-CB 4.36Å; F53-H61 HydrophobicContact CD1-CB 4.17Å; S54-H61 CarbonylContact O-C 3.42Å; S54-H61 WeakPolarHBondContact O-CA 3.47Å; G59-H61 PolarHBondContact O-ND1 3.01Å
62	V	94.7	Very high	92.6	Very high	10 Å²	10	21.9 Å²	21.9	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.5	-177.7	-180	0	0	0	0	109.3	S54 T56 K60 H88	S54-V62 PolarHBondContact N-O 2.85Å; S54-V62 PolarHBondContact O-N 2.95Å; S54-V62 PolarHBondContact OG-O 2.7Å; T56-V62 HydrophobicContact CG2-CG2 3.99Å; K60-V62 HydrophobicContact CD-CG2 4.19Å; K60-V62 HydrophobicContact CG-CG2 4.22Å; V62-H88 HydrophobicContact CG1-CB 4.3Å
63	P	96.5	Very high	92.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	138.7	174.7	-32	38.8	0	0	0	113.6	W21 F53 A65 L86 F87 Q91	W21-P63 HydrophobicContact CD2-CB 4Å; W21-P63 HydrophobicContact CD2-CG 4.26Å; W21-P63 HydrophobicContact CE3-CB 3.67Å; W21-P63 HydrophobicContact CE3-CG 3.77Å; W21-P63 HydrophobicContact CH2-CB 3.76Å; W21-P63 HydrophobicContact CZ2-CB 4.08Å; W21-P63 HydrophobicContact CZ3-CB 3.54Å; W21-P63 HydrophobicContact CZ3-CG 4Å; F53-P63 HydrophobicContact CD1-CG 4.18Å; F53-P63 HydrophobicContact CE1-CG 3.85Å; P63-A65 HydrophobicContact CB-CB 3.96Å; P63-A65 PolarHBondContact O-N 2.96Å; P63-L86 WeakPolarHBondContact CD-O 3.49Å; P63-L86 HydrophobicContact CG-CD1 4.24Å; P63-L86 HydrophobicContact CG-CD2 3.68Å; P63-L86 HydrophobicContact CG-CG 3.64Å; P63-F87 HydrophobicContact CB-CD1 3.9Å; P63-F87 HydrophobicContact CB-CE1 3.81Å; P63-F87 HydrophobicContact CG-CD1 3.79Å; P63-F87 HydrophobicContact CG-CE1 3.64Å; P63-Q91 PolarHBondContact O-NE2 3.13Å
64	R	96.6	Very high	92.7	Very high	15 Å²	15	25.9 Å²	25.9	6%	0.057	17%	0.171	C	C	.	.	S	Bend	trans	-80.6	62.7	166	-61.3	179.7	-169.3	-84.6	-2.1	109.2	C4 I5 S6 N50 F52 F53 C129	C4-R64 WeakPolarHBondContact O-CB 3.47Å; I5-R64 WeakPolarHBondContact CA-O 3.25Å; I5-R64 HydrophobicContact CG1-CB 4.48Å; S6-R64 PolarHBondContact N-O 2.98Å; N50-R64 PolarHBondContact O-NE 2.91Å; N50-R64 PolarHBondContact O-NH2 3.14Å; F52-R64 WeakPolarHBondContact O-CB 3.43Å; F52-R64 WeakPolarHBondContact O-CG 3.35Å; F52-R64 PolarHBondContact O-N 2.77Å; F53-R64 PolarHBondContact O-NE 2.61Å; F53-R64 VanDerWaalsContact O-NE 3.16Å; F53-R64 PolarHBondContact O-NH2 2.92Å; R64-C129 PolarHBondContact NH1-SG 2.85Å; R64-C129 VanDerWaalsContact NH1-SG 3.42Å
65	A	97.4	Very high	92.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.8	-175.2	0	0	0	0	0	111.5	S6 W21 P63 F67 F87 Q91	S6-A65 CarbonylContact O-C 3.49Å; S6-A65 WeakPolarHBondContact O-CA 2.88Å; W21-A65 HydrophobicContact CZ2-CB 3.68Å; P63-A65 HydrophobicContact CB-CB 3.96Å; P63-A65 PolarHBondContact O-N 2.96Å; A65-F67 HydrophobicContact CB-CD2 4.34Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; A65-F87 HydrophobicContact CB-CD1 4.44Å; A65-F87 HydrophobicContact CB-CE1 4.32Å; A65-Q91 VanDerWaalsContact O-CB 3.3Å; A65-Q91 WeakPolarHBondContact O-CB 3.37Å; A65-Q91 VanDerWaalsContact O-CG 3.29Å; A65-Q91 WeakPolarHBondContact O-CG 3.42Å; A65-Q91 PolarHBondContact O-OE1 3.46Å
66	V	98.3	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.7	165.3	-173.4	0	0	0	0	107.7	S6 I7 H8 V68 I93 I122 L125	S6-V66 PolarHBondContact O-N 3.17Å; I7-V66 CarbonylContact C-O 3.59Å; I7-V66 WeakPolarHBondContact CA-O 3.47Å; I7-V66 HydrophobicContact CG2-CB 4.48Å; H8-V66 PolarHBondContact N-O 3.16Å; H8-V66 PolarHBondContact ND1-O 2.85Å; V66-V68 HydrophobicContact CG1-CG2 3.74Å; V66-I93 HydrophobicContact CG1-CD1 3.85Å; V66-I122 HydrophobicContact CG2-CG1 4.04Å; V66-L125 HydrophobicContact CG2-CD1 3.54Å
67	F	98.5	Very high	93.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.3	173.6	-67.5	-101.2	0	0	0	107.7	H8 V14 W21 A65 I75 F87 Q91 L92 I93	H8-F67 HydrophobicContact CB-CD1 3.71Å; H8-F67 HydrophobicContact CB-CE1 4.02Å; H8-F67 HydrophobicContact CB-CG 4.3Å; H8-F67 AromaticContact CE1-CZ 3.98Å; H8-F67 AromaticContact CG-CD1 3.93Å; H8-F67 AromaticContact CG-CE1 3.77Å; H8-F67 AromaticContact ND1-CD1 3.97Å; H8-F67 AromaticContact ND1-CE1 3.77Å; H8-F67 AromaticContact ND1-CE2 3.93Å; H8-F67 AromaticContact ND1-CZ 3.75Å; V14-F67 HydrophobicContact CB-CD1 4.17Å; V14-F67 HydrophobicContact CG1-CD1 3.87Å; V14-F67 HydrophobicContact CG1-CE1 4.43Å; V14-F67 HydrophobicContact CG2-CB 4.43Å; V14-F67 HydrophobicContact CG2-CD1 4.07Å; W21-F67 AromaticContact CD1-CZ 3.75Å; A65-F67 HydrophobicContact CB-CD2 4.34Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; F67-I75 HydrophobicContact CB-CD1 4.21Å; F67-I75 HydrophobicContact CB-CG1 4.5Å; F67-F87 HydrophobicContact CD2-CD1 4.48Å; F67-F87 AromaticContact CE2-CD1 3.73Å; F67-F87 HydrophobicContact CE2-CD1 3.73Å; F67-F87 AromaticContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE1 3.43Å; F67-F87 VanDerWaalsContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE2 4.46Å; F67-F87 HydrophobicContact CE2-CG 4.36Å; F67-F87 AromaticContact CE2-CZ 3.84Å; F67-F87 HydrophobicContact CE2-CZ 3.84Å; F67-F87 AromaticContact CZ-CE1 3.84Å; F67-F87 HydrophobicContact CZ-CE1 3.84Å; F67-F87 AromaticContact CZ-CZ 3.83Å; F67-F87 HydrophobicContact CZ-CZ 3.83Å; F67-Q91 PolarHBondContact N-O 3.34Å; F67-L92 HydrophobicContact CB-CD2 3.78Å; F67-L92 HydrophobicContact CD2-CD2 3.61Å; F67-L92 HydrophobicContact CE2-CD2 4.45Å; F67-L92 HydrophobicContact CG-CD2 3.88Å; F67-I93 PolarHBondContact O-N 2.91Å
68	V	98	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.7	-176.9	-170.4	0	0	0	0	108.9	H8 V9 G10 V66 I93 V118 F149	H8-V68 PolarHBondContact O-N 2.85Å; V9-V68 WeakPolarHBondContact CA-O 3.07Å; G10-V68 PolarHBondContact N-O 3.08Å; V66-V68 HydrophobicContact CG1-CG2 3.74Å; V68-I93 WeakPolarHBondContact CA-O 3.47Å; V68-I93 HydrophobicContact CG2-CB 4.47Å; V68-I93 HydrophobicContact CG2-CD1 4.44Å; V68-V118 HydrophobicContact CB-CG2 4.4Å; V68-V118 HydrophobicContact CG1-CG2 3.65Å; V68-V118 HydrophobicContact CG2-CB 4.49Å; V68-V118 HydrophobicContact CG2-CG1 3.84Å; V68-V118 HydrophobicContact CG2-CG2 3.79Å; V68-F149 HydrophobicContact CB-CE1 4.28Å; V68-F149 HydrophobicContact CG1-CD1 4.25Å; V68-F149 HydrophobicContact CG1-CE1 3.64Å; V68-F149 HydrophobicContact CG1-CZ 4.04Å
69	D	97.6	Very high	94.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.9	168	-155.6	-14.4	0	0	0	109.7	Q11 E71 I75 I93 T94 G95	Q11-D69 PolarHBondContact N-OD2 3.42Å; Q11-D69 VanDerWaalsContact N-OD2 3.14Å; D69-E71 VanDerWaalsContact C-N 3.27Å; D69-E71 WeakPolarHBondContact CB-O 3.49Å; D69-I75 HydrophobicContact CB-CD1 3.7Å; D69-I75 HydrophobicContact CB-CG1 4.16Å; D69-I93 PolarHBondContact N-O 2.96Å; D69-I93 VanDerWaalsContact N-O 3.11Å; D69-T94 CarbonylContact O-C 3.5Å; D69-T94 VanDerWaalsContact O-CA 3.29Å; D69-T94 WeakPolarHBondContact O-CA 3.42Å; D69-G95 PolarHBondContact O-N 2.96Å
70	L	95.4	Very high	95.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-79.7	-16.3	179.6	-61.6	-179.2	0	0	0	111.6	G95 K96 E97 A99 I110 I114 T145	L70-G95 CarbonylContact O-C 3.02Å; L70-G95 WeakPolarHBondContact O-CA 3.31Å; L70-K96 PolarHBondContact O-N 3.24Å; L70-K96 VanDerWaalsContact O-N 3.16Å; L70-E97 CarbonylContact C-O 3.41Å; L70-E97 WeakPolarHBondContact CB-O 3.37Å; L70-E97 CarbonylContact O-C 3.53Å; L70-E97 PolarHBondContact O-N 3.08Å; L70-A99 HydrophobicContact CD1-CB 3.99Å; L70-I110 HydrophobicContact CB-CG2 4.44Å; L70-I110 HydrophobicContact CD1-CB 4.32Å; L70-I110 HydrophobicContact CD1-CG2 4Å; L70-I110 HydrophobicContact CD2-CG2 4.2Å; L70-I110 HydrophobicContact CG-CG2 4.43Å; L70-I114 HydrophobicContact CD2-CB 4.48Å; L70-I114 HydrophobicContact CD2-CG2 3.56Å; L70-T145 HydrophobicContact CB-CG2 4.46Å; L70-T145 HydrophobicContact CD1-CG2 4.14Å; L70-T145 HydrophobicContact CG-CG2 3.77Å
71	E	92.2	Very high	95.5	Very high	50 Å²	50	29.1 Å²	29.1	23%	0.234	16%	0.16	C	C	.	.	S	Bend	trans	-116.1	154.3	167.8	60.9	157.3	-126.3	0	0	112.8	D69 T73 D98	D69-E71 VanDerWaalsContact C-N 3.27Å; D69-E71 WeakPolarHBondContact CB-O 3.49Å; E71-T73 WeakPolarHBondContact OE1-CB 3.45Å; E71-T73 PolarHBondContact OE1-OG1 2.96Å; E71-T73 VanDerWaalsContact OE1-OG1 3.09Å; E71-D98 HydrophobicContact CB-CB 4.05Å; E71-D98 HydrophobicContact CG-CB 4.17Å
72	P	93.9	Very high	95.6	Very high	45 Å²	45	34.3 Å²	34.3	29%	0.292	19%	0.193	S	C	.	.	S	Bend	trans	-81.8	-20.4	-173.6	31.5	-35.9	0	0	0	114.7	V74 I75 D76 T94	P72-V74 PolarHBondContact O-N 3.29Å; P72-I75 PolarHBondContact O-N 3.28Å; P72-D76 WeakPolarHBondContact O-CB 3.47Å; P72-D76 PolarHBondContact O-N 3.31Å; P72-T94 HydrophobicContact CB-CG2 4.24Å
73	T	94.6	Very high	95.6	Very high	80 Å²	80	35.5 Å²	35.5	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-50.6	-55.4	-164.3	-44.9	0	0	0	0	113.1	E71 D76 E77	E71-T73 WeakPolarHBondContact OE1-CB 3.45Å; E71-T73 PolarHBondContact OE1-OG1 2.96Å; E71-T73 VanDerWaalsContact OE1-OG1 3.09Å; T73-D76 PolarHBondContact O-N 3.03Å; T73-E77 PolarHBondContact O-N 2.97Å
74	V	94.6	Very high	95.5	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-73.8	-34.1	-172.5	-171.5	0	0	0	0	111.3	Q11 V14 Q15 P72 E77 V78	Q11-V74 HydrophobicContact CB-CG2 3.9Å; Q11-V74 HydrophobicContact CG-CG1 4.43Å; Q11-V74 HydrophobicContact CG-CG2 3.74Å; V14-V74 HydrophobicContact CB-CG1 3.98Å; V14-V74 HydrophobicContact CG1-CB 4.44Å; V14-V74 HydrophobicContact CG1-CG1 3.63Å; Q15-V74 HydrophobicContact CG-CG1 3.69Å; P72-V74 PolarHBondContact O-N 3.29Å; V74-E77 WeakPolarHBondContact O-CB 3.29Å; V74-E77 PolarHBondContact O-N 3.29Å; V74-V78 PolarHBondContact O-N 3.22Å
75	I	95.8	Very high	95.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-74.8	-30.7	176.6	-68.4	-179.8	0	0	0	111.2	V14 F67 D69 P72 E77 V78 R79 L92 I93 T94	V14-I75 HydrophobicContact CG1-CG1 4.16Å; V14-I75 HydrophobicContact CG2-CD1 4.38Å; V14-I75 HydrophobicContact CG2-CG1 4.08Å; F67-I75 HydrophobicContact CB-CD1 4.21Å; F67-I75 HydrophobicContact CB-CG1 4.5Å; D69-I75 HydrophobicContact CB-CD1 3.7Å; D69-I75 HydrophobicContact CB-CG1 4.16Å; P72-I75 PolarHBondContact O-N 3.28Å; I75-E77 VanDerWaalsContact C-N 3.25Å; I75-E77 PolarHBondContact O-N 2.89Å; I75-V78 WeakPolarHBondContact O-CA 3.47Å; I75-V78 VanDerWaalsContact O-CB 3.24Å; I75-V78 WeakPolarHBondContact O-CB 3.35Å; I75-V78 PolarHBondContact O-N 3.39Å; I75-R79 HydrophobicContact CG2-CG 4.45Å; I75-R79 WeakPolarHBondContact O-CG 3.48Å; I75-R79 PolarHBondContact O-N 3.2Å; I75-L92 HydrophobicContact CG2-CB 3.75Å; I75-I93 WeakPolarHBondContact CD1-O 3.42Å; I75-T94 HydrophobicContact CB-CG2 3.49Å; I75-T94 VanDerWaalsContact CB-CG2 3.49Å; I75-T94 HydrophobicContact CD1-CG2 3.7Å; I75-T94 HydrophobicContact CG1-CG2 4.1Å; I75-T94 HydrophobicContact CG2-CG2 3.54Å
76	D	95.3	Very high	95.3	Very high	65 Å²	65	47.1 Å²	47.1	35%	0.348	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-30.6	174.1	-77.9	-14.9	0	0	0	111.9	P72 T73 V78 R79 T80	P72-D76 WeakPolarHBondContact O-CB 3.47Å; P72-D76 PolarHBondContact O-N 3.31Å; T73-D76 PolarHBondContact O-N 3.03Å; D76-V78 VanDerWaalsContact C-N 3.33Å; D76-R79 PolarHBondContact O-N 2.8Å; D76-R79 WeakPolarHBondContact OD1-CD 3.03Å; D76-R79 IonicContact OD1-CZ 3.92Å; D76-R79 IonicContact OD1-NE 3.74Å; D76-R79 IonicContact OD1-NH1 3.25Å; D76-R79 PolarHBondContact OD1-NH1 3.45Å; D76-T80 WeakPolarHBondContact O-CB 3.49Å; D76-T80 WeakPolarHBondContact O-CG2 3.34Å; D76-T80 PolarHBondContact O-N 3.44Å; D76-T80 PolarHBondContact O-OG1 2.89Å
77	E	95.3	Very high	95.2	Very high	107 Å²	107	47.4 Å²	47.4	50%	0.5	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-39.4	168.1	-64	-179.1	173.7	0	0	111.6	T73 V74 I75 T80 G81	T73-E77 PolarHBondContact O-N 2.97Å; V74-E77 WeakPolarHBondContact O-CB 3.29Å; V74-E77 PolarHBondContact O-N 3.29Å; I75-E77 VanDerWaalsContact C-N 3.25Å; I75-E77 PolarHBondContact O-N 2.89Å; E77-T80 PolarHBondContact O-N 2.89Å; E77-G81 WeakPolarHBondContact O-CA 3.09Å; E77-G81 PolarHBondContact O-N 2.61Å
78	V	95.3	Very high	94.9	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-44.6	173.5	-170.7	0	0	0	0	110.6	V14 N18 V74 I75 D76 T80 R84 F87 L92	V14-V78 HydrophobicContact CG1-CG2 3.81Å; N18-V78 WeakPolarHBondContact ND2-CG2 3.46Å; N18-V78 WeakPolarHBondContact OD1-CG2 3.5Å; V74-V78 PolarHBondContact O-N 3.22Å; I75-V78 WeakPolarHBondContact O-CA 3.47Å; I75-V78 VanDerWaalsContact O-CB 3.24Å; I75-V78 WeakPolarHBondContact O-CB 3.35Å; I75-V78 PolarHBondContact O-N 3.39Å; D76-V78 VanDerWaalsContact C-N 3.33Å; V78-T80 PolarHBondContact O-N 2.86Å; V78-R84 WeakPolarHBondContact O-CA 3.43Å; V78-F87 HydrophobicContact CG1-CD2 3.75Å; V78-F87 HydrophobicContact CG1-CE2 3.83Å; V78-L92 HydrophobicContact CG1-CD1 4.23Å; V78-L92 HydrophobicContact CG1-CD2 4.12Å
79	R	94.8	Very high	94.7	Very high	87 Å²	87	56.1 Å²	56.1	33%	0.328	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-22.1	-178.8	-68.6	172.1	179.1	160.5	0.5	113.2	I75 D76 R84 L92 T94	I75-R79 HydrophobicContact CG2-CG 4.45Å; I75-R79 WeakPolarHBondContact O-CG 3.48Å; I75-R79 PolarHBondContact O-N 3.2Å; D76-R79 PolarHBondContact O-N 2.8Å; D76-R79 WeakPolarHBondContact OD1-CD 3.03Å; D76-R79 IonicContact OD1-CZ 3.92Å; D76-R79 IonicContact OD1-NE 3.74Å; D76-R79 IonicContact OD1-NH1 3.25Å; D76-R79 PolarHBondContact OD1-NH1 3.45Å; R79-R84 WeakPolarHBondContact O-CB 3.44Å; R79-L92 HydrophobicContact CG-CD1 3.6Å; R79-L92 PolarHBondContact NH2-O 3.04Å; R79-T94 PolarHBondContact NH2-OG1 2.81Å; R79-T94 VanDerWaalsContact NH2-OG1 3.13Å
80	T	95.1	Very high	94.5	Very high	105 Å²	105	60.4 Å²	60.4	64%	0.644	32%	0.315	S	S	*	.	H	α-helix	trans	-112.8	-14	-176.9	57.2	0	0	0	0	113.8	D76 E77 V78	D76-T80 WeakPolarHBondContact O-CB 3.49Å; D76-T80 WeakPolarHBondContact O-CG2 3.34Å; D76-T80 PolarHBondContact O-N 3.44Å; D76-T80 PolarHBondContact O-OG1 2.89Å; E77-T80 PolarHBondContact O-N 2.89Å; V78-T80 PolarHBondContact O-N 2.86Å
81	G	93.8	Very high	94.5	Very high	32 Å²	32	61 Å²	61	33%	0.33	32%	0.318	S	S	.	.	S	Bend	trans	-73.7	-173.4	-178.5	0	0	0	0	0	114.9	E77 Y83 R84	E77-G81 WeakPolarHBondContact O-CA 3.09Å; E77-G81 PolarHBondContact O-N 2.61Å; G81-Y83 VanDerWaalsContact C-N 3.28Å; G81-Y83 PolarHBondContact O-N 3.48Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.39Å; G81-R84 VanDerWaalsContact O-CG 3.31Å; G81-R84 WeakPolarHBondContact O-CG 3.46Å; G81-R84 PolarHBondContact O-N 2.91Å; G81-R84 VanDerWaalsContact O-N 3.16Å
82	T	94.6	Very high	94.8	Very high	111 Å²	111	59.1 Å²	59.1	68%	0.681	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-41	-176.8	-52.8	0	0	0	0	112.6	P32 R84	P32-T82 HydrophobicContact CB-CG2 4.13Å; P32-T82 HydrophobicContact CG-CG2 4.1Å; T82-R84 VanDerWaalsContact C-N 3.35Å; T82-R84 PolarHBondContact O-N 3.28Å
83	Y	94.9	Very high	94.9	Very high	35 Å²	35	58 Å²	58	14%	0.137	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	19.2	-177.3	-68.9	-83.2	0	0	0	113.8	E22 C25 P32 G81 Q85 L86	E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.8Å; C25-Y83 HydrophobicContact CB-CE1 3.94Å; P32-Y83 HydrophobicContact CB-CD1 3.8Å; P32-Y83 HydrophobicContact CB-CE1 3.86Å; P32-Y83 HydrophobicContact CB-CG 4.42Å; P32-Y83 HydrophobicContact CG-CD1 4.39Å; P32-Y83 HydrophobicContact CG-CE1 3.95Å; G81-Y83 VanDerWaalsContact C-N 3.28Å; G81-Y83 PolarHBondContact O-N 3.48Å; Y83-Q85 PolarHBondContact O-N 3.47Å; Y83-L86 HydrophobicContact CD1-CB 4.23Å; Y83-L86 HydrophobicContact CD1-CD2 3.74Å; Y83-L86 HydrophobicContact CD1-CG 4.49Å; Y83-L86 HydrophobicContact CE1-CD2 4.44Å; Y83-L86 HydrophobicContact CG-CD2 4.41Å; Y83-L86 VanDerWaalsContact O-CB 3.29Å; Y83-L86 WeakPolarHBondContact O-CB 3.42Å; Y83-L86 PolarHBondContact O-N 2.91Å
84	R	94.5	Very high	95	Very high	153 Å²	153	56.1 Å²	56.1	58%	0.577	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.9	179.6	64.8	-175.2	-178.3	171.3	-1.4	115	V78 R79 G81 T82	V78-R84 WeakPolarHBondContact O-CA 3.43Å; R79-R84 WeakPolarHBondContact O-CB 3.44Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.39Å; G81-R84 VanDerWaalsContact O-CG 3.31Å; G81-R84 WeakPolarHBondContact O-CG 3.46Å; G81-R84 PolarHBondContact O-N 2.91Å; G81-R84 VanDerWaalsContact O-N 3.16Å; T82-R84 VanDerWaalsContact C-N 3.35Å; T82-R84 PolarHBondContact O-N 3.28Å
85	Q	94.2	Very high	95	Very high	105 Å²	105	56.7 Å²	56.7	49%	0.491	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.2	179.4	-68	-175.5	1.4	0	0	112.6	K60 Y83	K60-Q85 WeakPolarHBondContact CE-O 3.45Å; K60-Q85 PolarHBondContact NZ-O 3.33Å; Y83-Q85 PolarHBondContact O-N 3.47Å
86	L	95.1	Very high	94.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-49.6	-174.6	-175.3	67.8	0	0	0	111.6	C25 I30 P63 Y83	C25-L86 VanDerWaalsContact SG-CD2 3.52Å; I30-L86 HydrophobicContact CG2-CD1 4.33Å; P63-L86 WeakPolarHBondContact CD-O 3.49Å; P63-L86 HydrophobicContact CG-CD1 4.24Å; P63-L86 HydrophobicContact CG-CD2 3.68Å; P63-L86 HydrophobicContact CG-CG 3.64Å; Y83-L86 HydrophobicContact CD1-CB 4.23Å; Y83-L86 HydrophobicContact CD1-CD2 3.74Å; Y83-L86 HydrophobicContact CD1-CG 4.49Å; Y83-L86 HydrophobicContact CE1-CD2 4.44Å; Y83-L86 HydrophobicContact CG-CD2 4.41Å; Y83-L86 VanDerWaalsContact O-CB 3.29Å; Y83-L86 WeakPolarHBondContact O-CB 3.42Å; Y83-L86 PolarHBondContact O-N 2.91Å
87	F	94.9	Very high	94.5	Very high	6 Å²	6	68.6 Å²	68.6	3%	0.026	35%	0.346	C	S	.	.	S	Bend	trans	-80.9	151.9	-175	-55.2	-74.2	0	0	0	112.5	W21 P63 A65 F67 V78 L92	W21-F87 HydrophobicContact CB-CE1 4.3Å; W21-F87 HydrophobicContact CB-CZ 3.86Å; W21-F87 HydrophobicContact CD2-CE1 4.33Å; W21-F87 AromaticContact CG-CE1 3.95Å; W21-F87 HydrophobicContact CG-CE1 3.95Å; W21-F87 AromaticContact CG-CZ 3.96Å; W21-F87 HydrophobicContact CG-CZ 3.96Å; P63-F87 HydrophobicContact CB-CD1 3.9Å; P63-F87 HydrophobicContact CB-CE1 3.81Å; P63-F87 HydrophobicContact CG-CD1 3.79Å; P63-F87 HydrophobicContact CG-CE1 3.64Å; A65-F87 HydrophobicContact CB-CD1 4.44Å; A65-F87 HydrophobicContact CB-CE1 4.32Å; F67-F87 HydrophobicContact CD2-CD1 4.48Å; F67-F87 AromaticContact CE2-CD1 3.73Å; F67-F87 HydrophobicContact CE2-CD1 3.73Å; F67-F87 AromaticContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE1 3.43Å; F67-F87 VanDerWaalsContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE2 4.46Å; F67-F87 HydrophobicContact CE2-CG 4.36Å; F67-F87 AromaticContact CE2-CZ 3.84Å; F67-F87 HydrophobicContact CE2-CZ 3.84Å; F67-F87 AromaticContact CZ-CE1 3.84Å; F67-F87 HydrophobicContact CZ-CE1 3.84Å; F67-F87 AromaticContact CZ-CZ 3.83Å; F67-F87 HydrophobicContact CZ-CZ 3.83Å; V78-F87 HydrophobicContact CG1-CD2 3.75Å; V78-F87 HydrophobicContact CG1-CE2 3.83Å; F87-L92 HydrophobicContact CB-CD1 4.42Å; F87-L92 HydrophobicContact CB-CD2 4.24Å; F87-L92 HydrophobicContact CB-CG 4.4Å; F87-L92 HydrophobicContact CG-CD2 4.46Å
88	H	94	Very high	94.3	Very high	84 Å²	84	66.4 Å²	66.4	39%	0.389	34%	0.338	S	S	.	.			trans	-73.7	130.4	169.5	-165.6	-89.1	0	0	0	108.9	V62 E90 Q91	V62-H88 HydrophobicContact CG1-CB 4.3Å; H88-E90 IonicContact CE1-OE2 3.34Å; H88-E90 PolarHBondContact CE1-OE2 3.01Å; H88-E90 VanDerWaalsContact CE1-OE2 3.29Å; H88-E90 WeakPolarHBondContact ND1-CB 3.46Å; H88-E90 PolarHBondContact ND1-N 3.24Å; H88-E90 IonicContact ND1-OE2 3.44Å; H88-E90 PolarHBondContact O-N 2.63Å; H88-Q91 HydrophobicContact CB-CB 4.5Å; H88-Q91 VanDerWaalsContact CB-CD 3.47Å; H88-Q91 HydrophobicContact CB-CG 3.88Å; H88-Q91 VanDerWaalsContact O-CB 3.28Å; H88-Q91 WeakPolarHBondContact O-CB 3.41Å; H88-Q91 PolarHBondContact O-N 3.01Å
89	P	93.5	Very high	94.2	Very high	99 Å²	99	66.2 Å²	66.2	64%	0.643	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-56.6	-31.6	-175.6	-27.7	34.9	0	0	0	113.9	Q91 L92	P89-Q91 PolarHBondContact O-N 3.08Å; P89-L92 PolarHBondContact O-N 2.85Å
90	E	93.7	Very high	94.1	Very high	94 Å²	94	64.8 Å²	64.8	44%	0.439	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-75.4	-9.3	178.2	-56.2	-171.6	123.7	0	0	114.6	H88 L92 R121	H88-E90 IonicContact CE1-OE2 3.34Å; H88-E90 PolarHBondContact CE1-OE2 3.01Å; H88-E90 VanDerWaalsContact CE1-OE2 3.29Å; H88-E90 WeakPolarHBondContact ND1-CB 3.46Å; H88-E90 PolarHBondContact ND1-N 3.24Å; H88-E90 IonicContact ND1-OE2 3.44Å; H88-E90 PolarHBondContact O-N 2.63Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-R121 VanDerWaalsContact CB-CZ 3.47Å; E90-R121 WeakPolarHBondContact O-CD 3.11Å; E90-R121 WeakPolarHBondContact O-CG 3.21Å; E90-R121 IonicContact OE1-CZ 2.74Å; E90-R121 IonicContact OE1-NH1 3.53Å; E90-R121 PolarHBondContact OE1-NH1 2.79Å; E90-R121 IonicContact OE1-NH2 3.52Å; E90-R121 PolarHBondContact OE1-NH2 3.1Å; E90-R121 IonicContact OE2-CZ 3.2Å; E90-R121 IonicContact OE2-NH1 2.92Å; E90-R121 PolarHBondContact OE2-NH1 2.74Å; E90-R121 IonicContact OE2-NH2 3.67Å
91	Q	95.1	Very high	94.1	Very high	13 Å²	13	62.7 Å²	62.7	6%	0.061	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-85.5	-10.5	171.5	-68	165.1	-15.7	0	0	112.2	P63 A65 F67 H88 P89 L125	P63-Q91 PolarHBondContact O-NE2 3.13Å; A65-Q91 VanDerWaalsContact O-CB 3.3Å; A65-Q91 WeakPolarHBondContact O-CB 3.37Å; A65-Q91 VanDerWaalsContact O-CG 3.29Å; A65-Q91 WeakPolarHBondContact O-CG 3.42Å; A65-Q91 PolarHBondContact O-OE1 3.46Å; F67-Q91 PolarHBondContact N-O 3.34Å; H88-Q91 HydrophobicContact CB-CB 4.5Å; H88-Q91 VanDerWaalsContact CB-CD 3.47Å; H88-Q91 HydrophobicContact CB-CG 3.88Å; H88-Q91 VanDerWaalsContact O-CB 3.28Å; H88-Q91 WeakPolarHBondContact O-CB 3.41Å; H88-Q91 PolarHBondContact O-N 3.01Å; P89-Q91 PolarHBondContact O-N 3.08Å; Q91-L125 HydrophobicContact CG-CD1 4.48Å
92	L	97.3	Very high	94.3	Very high	11 Å²	11	61.7 Å²	61.7	6%	0.058	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	88.1	-179.3	-58.2	-177	0	0	0	109	F67 I75 V78 R79 F87 P89 E90	F67-L92 HydrophobicContact CB-CD2 3.78Å; F67-L92 HydrophobicContact CD2-CD2 3.61Å; F67-L92 HydrophobicContact CE2-CD2 4.45Å; F67-L92 HydrophobicContact CG-CD2 3.88Å; I75-L92 HydrophobicContact CG2-CB 3.75Å; V78-L92 HydrophobicContact CG1-CD1 4.23Å; V78-L92 HydrophobicContact CG1-CD2 4.12Å; R79-L92 HydrophobicContact CG-CD1 3.6Å; R79-L92 PolarHBondContact NH2-O 3.04Å; F87-L92 HydrophobicContact CB-CD1 4.42Å; F87-L92 HydrophobicContact CB-CD2 4.24Å; F87-L92 HydrophobicContact CB-CG 4.4Å; F87-L92 HydrophobicContact CG-CD2 4.46Å; P89-L92 PolarHBondContact O-N 2.85Å; E90-L92 VanDerWaalsContact C-N 3.34Å
93	I	97.4	Very high	94.4	Very high	21 Å²	21	56.4 Å²	56.4	11%	0.108	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.8	-168.5	-52.9	171.9	0	0	0	109.4	V66 F67 V68 D69 I75 I114 V118 R121	V66-I93 HydrophobicContact CG1-CD1 3.85Å; F67-I93 PolarHBondContact O-N 2.91Å; V68-I93 WeakPolarHBondContact CA-O 3.47Å; V68-I93 HydrophobicContact CG2-CB 4.47Å; V68-I93 HydrophobicContact CG2-CD1 4.44Å; D69-I93 PolarHBondContact N-O 2.96Å; D69-I93 VanDerWaalsContact N-O 3.11Å; I75-I93 WeakPolarHBondContact CD1-O 3.42Å; I93-I114 HydrophobicContact CG2-CD1 3.77Å; I93-I114 HydrophobicContact CG2-CG1 3.92Å; I93-V118 HydrophobicContact CB-CG2 4.43Å; I93-V118 HydrophobicContact CD1-CB 4.29Å; I93-V118 HydrophobicContact CD1-CG2 3.79Å; I93-V118 HydrophobicContact CG2-CG2 3.94Å; I93-R121 HydrophobicContact CD1-CB 3.86Å; I93-R121 HydrophobicContact CD1-CG 3.66Å; I93-R121 HydrophobicContact CG1-CG 4.42Å
94	T	96.6	Very high	94.6	Very high	40 Å²	40	54.8 Å²	54.8	25%	0.245	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.2	-175.8	50.3	0	0	0	0	110.7	D69 P72 I75 R79	D69-T94 CarbonylContact O-C 3.5Å; D69-T94 VanDerWaalsContact O-CA 3.29Å; D69-T94 WeakPolarHBondContact O-CA 3.42Å; P72-T94 HydrophobicContact CB-CG2 4.24Å; I75-T94 HydrophobicContact CB-CG2 3.49Å; I75-T94 VanDerWaalsContact CB-CG2 3.49Å; I75-T94 HydrophobicContact CD1-CG2 3.7Å; I75-T94 HydrophobicContact CG1-CG2 4.1Å; I75-T94 HydrophobicContact CG2-CG2 3.54Å; R79-T94 PolarHBondContact NH2-OG1 2.81Å; R79-T94 VanDerWaalsContact NH2-OG1 3.13Å
95	G	93.8	Very high	94.7	Very high	17 Å²	17	48.9 Å²	48.9	18%	0.175	25%	0.254	C	S	.	.			trans	-78	-168.8	164.5	0	0	0	0	0	112.2	D69 L70	D69-G95 PolarHBondContact O-N 2.96Å; L70-G95 CarbonylContact O-C 3.02Å; L70-G95 WeakPolarHBondContact O-CA 3.31Å
96	K	90.6	Very high	94.8	Very high	208 Å²	208	43.9 Å²	43.9	90%	0.904	23%	0.231	S	C	*	.	S	Bend	trans	-113.8	-21.4	176.3	-66.6	-178.2	-178.3	174.5	0	113.3	L70	L70-K96 PolarHBondContact O-N 3.24Å; L70-K96 VanDerWaalsContact O-N 3.16Å
97	E	90.9	Very high	94.9	Very high	107 Å²	107	44.3 Å²	44.3	50%	0.5	23%	0.233	S	C	.	.	S	Bend	trans	-137.3	131.3	-170.6	-167.8	176.8	163.5	0	0	107.4	L70 R105 I110	L70-E97 CarbonylContact C-O 3.41Å; L70-E97 WeakPolarHBondContact CB-O 3.37Å; L70-E97 CarbonylContact O-C 3.53Å; L70-E97 PolarHBondContact O-N 3.08Å; E97-R105 IonicContact OE1-CZ 3.95Å; E97-R105 IonicContact OE1-NH1 2.68Å; E97-R105 IonicContact OE1-NH2 3.76Å; E97-R105 PolarHBondContact OE1-NH2 2.75Å; E97-I110 WeakPolarHBondContact O-CG2 3.47Å
98	D	90.9	Very high	95	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	24%	0.242	S	C	.	.			trans	-79.5	170.2	-176.3	76.8	-27.1	0	0	0	112.1	E71 A100 R105	E71-D98 HydrophobicContact CB-CB 4.05Å; E71-D98 HydrophobicContact CG-CB 4.17Å; D98-A100 VanDerWaalsContact CG-N 3.29Å; D98-A100 PolarHBondContact O-N 2.96Å; D98-A100 PolarHBondContact OD1-N 2.96Å; D98-A100 WeakPolarHBondContact OD2-CA 3.41Å; D98-A100 PolarHBondContact OD2-N 3.23Å; D98-A100 VanDerWaalsContact OD2-N 3.16Å; D98-R105 PolarHBondContact O-NE 3.29Å; D98-R105 PolarHBondContact O-NH2 3.35Å
99	A	92.8	Very high	95	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	24%	0.236	C	C	.	.			trans	-78.8	-4.2	171.5	0	0	0	0	0	113.1	L70 N101 N102 R105 G144	L70-A99 HydrophobicContact CD1-CB 3.99Å; A99-N101 PolarHBondContact O-N 2.84Å; A99-N101 VanDerWaalsContact O-N 3.13Å; A99-N102 WeakPolarHBondContact O-CA 3.09Å; A99-N102 VanDerWaalsContact O-CB 3.28Å; A99-N102 WeakPolarHBondContact O-CB 3.4Å; A99-N102 PolarHBondContact O-N 2.79Å; A99-R105 HydrophobicContact CB-CB 4.08Å; A99-G144 VanDerWaalsContact CB-C 3.41Å
100	A	93.4	Very high	95.1	Very high	56 Å²	56	40.9 Å²	40.9	46%	0.463	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	41.6	177.9	0	0	0	0	0	114.3	D98 N102	D98-A100 VanDerWaalsContact CG-N 3.29Å; D98-A100 PolarHBondContact O-N 2.96Å; D98-A100 PolarHBondContact OD1-N 2.96Å; D98-A100 WeakPolarHBondContact OD2-CA 3.41Å; D98-A100 PolarHBondContact OD2-N 3.23Å; D98-A100 VanDerWaalsContact OD2-N 3.16Å; A100-N102 PolarHBondContact O-N 3.45Å
101	N	94.9	Very high	95.1	Very high	61 Å²	61	36.4 Å²	36.4	33%	0.326	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	27.7	-174.2	-58.9	-54.1	0	0	0	115.1	A99 A180 V182 N186	A99-N101 PolarHBondContact O-N 2.84Å; A99-N101 VanDerWaalsContact O-N 3.13Å; N101-A180 HydrophobicContact CB-CB 3.75Å; N101-V182 HydrophobicContact CB-CG2 4.31Å; N101-V182 WeakPolarHBondContact O-CG2 3.42Å; N101-N186 PolarHBondContact O-ND2 3.45Å
102	N	96.6	Very high	95.1	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.059	21%	0.21	C	C	.	.			trans	-116.2	114.2	178.7	-174.9	-17.9	0	0	0	110.6	A99 A100 A104 R105 G106 W407 Y408	A99-N102 WeakPolarHBondContact O-CA 3.09Å; A99-N102 VanDerWaalsContact O-CB 3.28Å; A99-N102 WeakPolarHBondContact O-CB 3.4Å; A99-N102 PolarHBondContact O-N 2.79Å; A100-N102 PolarHBondContact O-N 3.45Å; N102-A104 VanDerWaalsContact C-N 3.26Å; N102-A104 PolarHBondContact O-N 2.97Å; N102-A104 WeakPolarHBondContact OD1-CB 3.38Å; N102-A104 PolarHBondContact OD1-N 2.88Å; N102-R105 HydrophobicContact CB-CB 4.32Å; N102-R105 HydrophobicContact CB-CG 4.12Å; N102-R105 PolarHBondContact O-N 3.31Å; N102-G106 PolarHBondContact O-N 3.16Å; N102-W407 PolarHBondContact ND2-O 2.62Å; N102-Y408 VanDerWaalsContact OD1-CD1 3.3Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.46Å
103	Y	97.9	Very high	94.9	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-50.1	-45.8	174.9	174.6	-90.7	0	0	0	112.4	R105 G106 H107 Y108 G148 S151 N186 L189 T193 M413	Y103-R105 PolarHBondContact O-N 2.86Å; Y103-G106 CarbonylContact O-C 3.6Å; Y103-G106 PolarHBondContact O-N 3.5Å; Y103-H107 HydrophobicContact CD1-CB 4.3Å; Y103-H107 HydrophobicContact CE1-CB 3.85Å; Y103-H107 AromaticContact CZ-CG 3.94Å; Y103-H107 AromaticContact CZ-ND1 3.85Å; Y103-H107 WeakPolarHBondContact O-CB 3.37Å; Y103-H107 PolarHBondContact O-N 3.45Å; Y103-H107 PolarHBondContact OH-ND1 2.91Å; Y103-Y108 HydrophobicContact CE1-CE2 4.39Å; Y103-G148 VanDerWaalsContact CD2-CA 3.4Å; Y103-G148 VanDerWaalsContact CE2-CA 3.48Å; Y103-S151 WeakPolarHBondContact OH-CB 3.4Å; Y103-N186 VanDerWaalsContact CB-OD1 3.27Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.44Å; Y103-N186 PolarHBondContact N-OD1 2.91Å; Y103-L189 HydrophobicContact CD1-CB 3.93Å; Y103-L189 HydrophobicContact CD1-CD1 3.78Å; Y103-L189 HydrophobicContact CD1-CG 4.43Å; Y103-L189 HydrophobicContact CD2-CB 3.84Å; Y103-L189 HydrophobicContact CE1-CB 4.07Å; Y103-L189 HydrophobicContact CE2-CB 3.97Å; Y103-L189 HydrophobicContact CG-CB 3.84Å; Y103-L189 HydrophobicContact CG-CD1 3.91Å; Y103-T193 WeakPolarHBondContact OH-CG2 3.38Å; Y103-T193 PolarHBondContact OH-OG1 3Å; Y103-T193 VanDerWaalsContact OH-OG1 3.11Å; Y103-M413 HydrophobicContact CD1-SD 4.26Å
104	A	97.6	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-32.8	-175.6	0	0	0	0	0	112.1	N102 H107 Y108 T109 Y408 E411 M413	N102-A104 VanDerWaalsContact C-N 3.26Å; N102-A104 PolarHBondContact O-N 2.97Å; N102-A104 WeakPolarHBondContact OD1-CB 3.38Å; N102-A104 PolarHBondContact OD1-N 2.88Å; A104-H107 PolarHBondContact O-N 2.98Å; A104-Y108 HydrophobicContact CB-CD2 4.2Å; A104-Y108 WeakPolarHBondContact O-CA 3.4Å; A104-Y108 WeakPolarHBondContact O-CB 3.35Å; A104-Y108 PolarHBondContact O-N 3.4Å; A104-T109 PolarHBondContact O-N 2.72Å; A104-Y408 HydrophobicContact CB-CD1 4.23Å; A104-E411 HydrophobicContact CB-CB 3.76Å; A104-M413 HydrophobicContact CB-CB 3.76Å; A104-M413 HydrophobicContact CB-SD 4.18Å
105	R	97.3	Very high	94.8	Very high	30 Å²	30	46.4 Å²	46.4	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-67	-45	173	-71.8	-180	61.7	93.8	-2.9	112.4	E97 D98 A99 N102 Y103 H107 T109 I110 G111 E411	E97-R105 IonicContact OE1-CZ 3.95Å; E97-R105 IonicContact OE1-NH1 2.68Å; E97-R105 IonicContact OE1-NH2 3.76Å; E97-R105 PolarHBondContact OE1-NH2 2.75Å; D98-R105 PolarHBondContact O-NE 3.29Å; D98-R105 PolarHBondContact O-NH2 3.35Å; A99-R105 HydrophobicContact CB-CB 4.08Å; N102-R105 HydrophobicContact CB-CB 4.32Å; N102-R105 HydrophobicContact CB-CG 4.12Å; N102-R105 PolarHBondContact O-N 3.31Å; Y103-R105 PolarHBondContact O-N 2.86Å; R105-H107 VanDerWaalsContact C-N 3.27Å; R105-H107 PolarHBondContact O-N 3.3Å; R105-T109 WeakPolarHBondContact CA-OG1 3.37Å; R105-I110 HydrophobicContact CB-CG1 4.32Å; R105-I110 PolarHBondContact O-N 3.42Å; R105-G111 PolarHBondContact O-N 2.99Å; R105-G111 VanDerWaalsContact O-N 3.12Å; R105-E411 WeakPolarHBondContact CD-OE1 3.37Å; R105-E411 HydrophobicContact CG-CB 4.1Å; R105-E411 HydrophobicContact CG-CG 3.53Å; R105-E411 WeakPolarHBondContact CG-OE1 3.39Å; R105-E411 IonicContact CZ-OE1 3.4Å; R105-E411 IonicContact NE-OE1 2.64Å; R105-E411 IonicContact NH1-OE1 2.76Å; R105-E411 PolarHBondContact NH1-OE1 3.04Å; R105-E411 IonicContact NH1-OE2 3.62Å
106	G	96.7	Very high	95	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-31.3	177.8	0	0	0	0	0	113	N102 Y103 G111 G148 F149	N102-G106 PolarHBondContact O-N 3.16Å; Y103-G106 CarbonylContact O-C 3.6Å; Y103-G106 PolarHBondContact O-N 3.5Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.34Å; G106-G148 VanDerWaalsContact C-C 3.47Å; G106-G148 CarbonylContact O-C 3.59Å; G106-F149 VanDerWaalsContact O-CA 3.27Å; G106-F149 WeakPolarHBondContact O-CA 3.36Å; G106-F149 PolarHBondContact O-N 2.91Å
107	H	97.8	Very high	95.3	Very high	9 Å²	9	44.2 Å²	44.2	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-98.1	-46.2	-174.5	-167.1	91.2	0	0	0	113.6	Y103 A104 R105 G148 L152 E155	Y103-H107 HydrophobicContact CD1-CB 4.3Å; Y103-H107 HydrophobicContact CE1-CB 3.85Å; Y103-H107 AromaticContact CZ-CG 3.94Å; Y103-H107 AromaticContact CZ-ND1 3.85Å; Y103-H107 WeakPolarHBondContact O-CB 3.37Å; Y103-H107 PolarHBondContact O-N 3.45Å; Y103-H107 PolarHBondContact OH-ND1 2.91Å; A104-H107 PolarHBondContact O-N 2.98Å; R105-H107 VanDerWaalsContact C-N 3.27Å; R105-H107 PolarHBondContact O-N 3.3Å; H107-G148 PolarHBondContact ND1-O 2.9Å; H107-L152 PolarHBondContact ND1-N 3.18Å; H107-E155 IonicContact CE1-OE1 2.79Å; H107-E155 PolarHBondContact CE1-OE1 3.32Å; H107-E155 VanDerWaalsContact CE1-OE1 3.25Å; H107-E155 IonicContact CE1-OE2 2.91Å; H107-E155 IonicContact NE2-OE1 3.25Å
108	Y	95.6	Very high	95.6	Very high	52 Å²	52	39.1 Å²	39.1	20%	0.204	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-37.8	-166.9	-67	-68.8	0	0	0	115.5	Y103 A104 K112 M413 E417	Y103-Y108 HydrophobicContact CE1-CE2 4.39Å; A104-Y108 HydrophobicContact CB-CD2 4.2Å; A104-Y108 WeakPolarHBondContact O-CA 3.4Å; A104-Y108 WeakPolarHBondContact O-CB 3.35Å; A104-Y108 PolarHBondContact O-N 3.4Å; Y108-K112 WeakPolarHBondContact O-CD 3.34Å; Y108-K112 WeakPolarHBondContact O-CE 3.34Å; Y108-K112 WeakPolarHBondContact O-CG 3.46Å; Y108-K112 PolarHBondContact O-NZ 2.8Å; Y108-M413 HydrophobicContact CD2-CB 3.89Å; Y108-M413 HydrophobicContact CD2-CG 4.39Å; Y108-M413 HydrophobicContact CE2-CB 3.79Å; Y108-M413 HydrophobicContact CE2-CG 3.8Å; Y108-E417 PolarHBondContact OH-OE1 2.81Å; Y108-E417 VanDerWaalsContact OH-OE1 3.09Å; Y108-E417 PolarHBondContact OH-OE2 2.89Å
109	T	94.5	Very high	95.9	Very high	45 Å²	45	36.7 Å²	36.7	28%	0.276	19%	0.192	S	C	.	.	S	Bend	trans	-103.4	-80.8	-175.1	55.5	0	0	0	0	111.6	A104 R105 G111 K112 E411	A104-T109 PolarHBondContact O-N 2.72Å; R105-T109 WeakPolarHBondContact CA-OG1 3.37Å; T109-G111 PolarHBondContact O-N 2.73Å; T109-K112 PolarHBondContact O-N 2.83Å; T109-E411 WeakPolarHBondContact CB-OE2 3.3Å; T109-E411 HydrophobicContact CG2-CB 4.36Å; T109-E411 VanDerWaalsContact CG2-O 3.31Å; T109-E411 WeakPolarHBondContact CG2-O 3.3Å; T109-E411 VanDerWaalsContact CG2-OE2 3.3Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.45Å; T109-E411 PolarHBondContact OG1-OE2 3.22Å
110	I	95.3	Very high	96.1	Very high	20 Å²	20	39.4 Å²	39.4	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-40.9	-173.8	-52.2	-56.8	0	0	0	111.8	L70 E97 R105 K112 E113	L70-I110 HydrophobicContact CB-CG2 4.44Å; L70-I110 HydrophobicContact CD1-CB 4.32Å; L70-I110 HydrophobicContact CD1-CG2 4Å; L70-I110 HydrophobicContact CD2-CG2 4.2Å; L70-I110 HydrophobicContact CG-CG2 4.43Å; E97-I110 WeakPolarHBondContact O-CG2 3.47Å; R105-I110 HydrophobicContact CB-CG1 4.32Å; R105-I110 PolarHBondContact O-N 3.42Å; I110-K112 VanDerWaalsContact C-N 3.26Å; I110-K112 PolarHBondContact O-N 2.93Å; I110-E113 WeakPolarHBondContact O-CB 3.41Å; I110-E113 PolarHBondContact O-N 2.93Å; I110-E113 VanDerWaalsContact O-N 3.07Å
111	G	94.3	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-33.7	-178.9	0	0	0	0	0	114.3	R105 G106 T109 E113 I114 I115	R105-G111 PolarHBondContact O-N 2.99Å; R105-G111 VanDerWaalsContact O-N 3.12Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.34Å; T109-G111 PolarHBondContact O-N 2.73Å; G111-E113 PolarHBondContact O-N 3.23Å; G111-I114 PolarHBondContact O-N 3.41Å; G111-I115 PolarHBondContact O-N 3.24Å
112	K	94	Very high	96.4	Very high	112 Å²	112	36.4 Å²	36.4	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-66.2	-23.5	178	-68.4	-169.5	-173.5	141.9	0	113.1	Y108 T109 I110 I114 I115 L152	Y108-K112 WeakPolarHBondContact O-CD 3.34Å; Y108-K112 WeakPolarHBondContact O-CE 3.34Å; Y108-K112 WeakPolarHBondContact O-CG 3.46Å; Y108-K112 PolarHBondContact O-NZ 2.8Å; T109-K112 PolarHBondContact O-N 2.83Å; I110-K112 VanDerWaalsContact C-N 3.26Å; I110-K112 PolarHBondContact O-N 2.93Å; K112-I114 VanDerWaalsContact C-N 3.32Å; K112-I115 WeakPolarHBondContact O-CG2 3.32Å; K112-L152 HydrophobicContact CG-CD2 4.4Å
113	E	94.4	Very high	96.4	Very high	156 Å²	156	41 Å²	41	73%	0.729	20%	0.195	S	C	*	.	H	α-helix	trans	-73.8	-26.2	178.3	-58.2	-170.7	172.6	0	0	112.4	I110 G111	I110-E113 WeakPolarHBondContact O-CB 3.41Å; I110-E113 PolarHBondContact O-N 2.93Å; I110-E113 VanDerWaalsContact O-N 3.07Å; G111-E113 PolarHBondContact O-N 3.23Å
114	I	95.4	Very high	96.3	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.087	21%	0.213	C	C	.	.	H	α-helix	trans	-111.6	-12.6	-173.5	-149.8	168.9	0	0	0	114.1	L70 I93 G111 K112 D116 P117 V118 F149	L70-I114 HydrophobicContact CD2-CB 4.48Å; L70-I114 HydrophobicContact CD2-CG2 3.56Å; I93-I114 HydrophobicContact CG2-CD1 3.77Å; I93-I114 HydrophobicContact CG2-CG1 3.92Å; G111-I114 PolarHBondContact O-N 3.41Å; K112-I114 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 2.93Å; I114-P117 VanDerWaalsContact O-CD 3.26Å; I114-P117 WeakPolarHBondContact O-CD 3.36Å; I114-V118 HydrophobicContact CG1-CG2 4.39Å; I114-V118 VanDerWaalsContact O-CG2 3.26Å; I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 3.18Å; I114-V118 VanDerWaalsContact O-N 3.12Å; I114-F149 HydrophobicContact CG2-CD2 4.04Å; I114-F149 HydrophobicContact CG2-CE2 3.35Å; I114-F149 HydrophobicContact CG2-CZ 3.85Å
115	I	97.1	Very high	96.2	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-44.1	-177.1	-172.5	59.1	0	0	0	112.7	G111 K112 V118 L119 F149 L152 L153 R156	G111-I115 PolarHBondContact O-N 3.24Å; K112-I115 WeakPolarHBondContact O-CG2 3.32Å; I115-V118 PolarHBondContact O-N 3.11Å; I115-L119 HydrophobicContact CD1-CD1 4.26Å; I115-L119 HydrophobicContact CD1-CG 4.15Å; I115-L119 HydrophobicContact CG1-CD1 3.93Å; I115-L119 HydrophobicContact CG1-CG 4.27Å; I115-L119 WeakPolarHBondContact O-CG 3.29Å; I115-L119 PolarHBondContact O-N 3.15Å; I115-F149 HydrophobicContact CB-CE2 4.15Å; I115-F149 HydrophobicContact CD1-CE2 4.07Å; I115-F149 HydrophobicContact CD1-CZ 3.92Å; I115-L152 HydrophobicContact CB-CD2 3.95Å; I115-L152 HydrophobicContact CD1-CD2 4.37Å; I115-L152 HydrophobicContact CD1-CG 4.21Å; I115-L152 HydrophobicContact CG1-CD2 4.08Å; I115-L152 HydrophobicContact CG1-CG 4.14Å; I115-L152 HydrophobicContact CG2-CD2 4.33Å; I115-L153 HydrophobicContact CD1-CB 4.3Å; I115-L153 HydrophobicContact CD1-CD1 3.93Å; I115-R156 HydrophobicContact CD1-CG 4.33Å; I115-R156 HydrophobicContact CG1-CG 4.11Å
116	D	96.6	Very high	96.1	Very high	115 Å²	115	44.6 Å²	44.6	62%	0.615	21%	0.214	S	C	*	.	H	α-helix	trans	-64.1	-48.5	-178.9	-72.4	-28.4	0	0	0	112.4	I114 V118 L119 D120	I114-D116 PolarHBondContact O-N 2.93Å; D116-V118 VanDerWaalsContact C-N 3.27Å; D116-V118 PolarHBondContact O-N 3.49Å; D116-L119 PolarHBondContact O-N 3.39Å; D116-D120 PolarHBondContact O-N 3.49Å
117	P	96.3	Very high	96	Very high	63 Å²	63	50.5 Å²	50.5	41%	0.409	25%	0.246	S	C	.	.	H	α-helix	trans	-53.1	-42.2	169.5	-28	31.2	0	0	0	113.8	I114 D120 R121	I114-P117 VanDerWaalsContact O-CD 3.26Å; I114-P117 WeakPolarHBondContact O-CD 3.36Å; P117-D120 PolarHBondContact O-N 2.68Å; P117-R121 WeakPolarHBondContact O-CG 3.44Å; P117-R121 PolarHBondContact O-N 2.71Å
118	V	97.6	Very high	95.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-47	-179.5	170.7	0	0	0	0	111	V68 I93 I114 I115 D116 D120 R121 I122 F149 L153	V68-V118 HydrophobicContact CB-CG2 4.4Å; V68-V118 HydrophobicContact CG1-CG2 3.65Å; V68-V118 HydrophobicContact CG2-CB 4.49Å; V68-V118 HydrophobicContact CG2-CG1 3.84Å; V68-V118 HydrophobicContact CG2-CG2 3.79Å; I93-V118 HydrophobicContact CB-CG2 4.43Å; I93-V118 HydrophobicContact CD1-CB 4.29Å; I93-V118 HydrophobicContact CD1-CG2 3.79Å; I93-V118 HydrophobicContact CG2-CG2 3.94Å; I114-V118 HydrophobicContact CG1-CG2 4.39Å; I114-V118 VanDerWaalsContact O-CG2 3.26Å; I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 3.18Å; I114-V118 VanDerWaalsContact O-N 3.12Å; I115-V118 PolarHBondContact O-N 3.11Å; D116-V118 VanDerWaalsContact C-N 3.27Å; D116-V118 PolarHBondContact O-N 3.49Å; V118-D120 VanDerWaalsContact C-N 3.35Å; V118-D120 PolarHBondContact O-N 3.01Å; V118-R121 PolarHBondContact O-N 2.9Å; V118-R121 VanDerWaalsContact O-N 3.17Å; V118-I122 HydrophobicContact CG1-CD1 3.78Å; V118-I122 HydrophobicContact CG1-CG1 4.49Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.76Å; V118-F149 HydrophobicContact CB-CZ 4.13Å; V118-F149 HydrophobicContact CG1-CE1 4.34Å; V118-F149 HydrophobicContact CG1-CZ 4.19Å; V118-F149 HydrophobicContact CG2-CE1 4.41Å; V118-F149 HydrophobicContact CG2-CZ 3.86Å; V118-L153 HydrophobicContact CG1-CD1 4.16Å
119	L	97.6	Very high	95.6	Very high	11 Å²	11	54.1 Å²	54.1	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-38.7	177.6	-69.5	172.3	0	0	0	112.3	I115 D116 R121 I122 R123 L153 R156 L157	I115-L119 HydrophobicContact CD1-CD1 4.26Å; I115-L119 HydrophobicContact CD1-CG 4.15Å; I115-L119 HydrophobicContact CG1-CD1 3.93Å; I115-L119 HydrophobicContact CG1-CG 4.27Å; I115-L119 WeakPolarHBondContact O-CG 3.29Å; I115-L119 PolarHBondContact O-N 3.15Å; D116-L119 PolarHBondContact O-N 3.39Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.43Å; L119-I122 PolarHBondContact O-N 3.46Å; L119-R123 VanDerWaalsContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CB 3.28Å; L119-R123 PolarHBondContact O-N 3.27Å; L119-L153 HydrophobicContact CD2-CD1 3.96Å; L119-R156 HydrophobicContact CD1-CB 3.79Å; L119-R156 HydrophobicContact CD1-CG 4.04Å; L119-R156 HydrophobicContact CD2-CB 3.91Å; L119-R156 HydrophobicContact CG-CB 4.43Å; L119-L157 HydrophobicContact CD2-CD2 4.36Å
120	D	97.3	Very high	95.4	Very high	58 Å²	58	57.2 Å²	57.2	31%	0.31	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-39.3	174.5	-177.8	68	0	0	0	112	D116 P117 V118 R123 K124	D116-D120 PolarHBondContact O-N 3.49Å; P117-D120 PolarHBondContact O-N 2.68Å; V118-D120 VanDerWaalsContact C-N 3.35Å; V118-D120 PolarHBondContact O-N 3.01Å; D120-R123 PolarHBondContact O-N 3.47Å; D120-K124 WeakPolarHBondContact O-CG 3.25Å; D120-K124 PolarHBondContact O-N 2.81Å; D120-K124 WeakPolarHBondContact OD2-CE 3.3Å; D120-K124 IonicContact OD2-NZ 3.65Å; D120-K124 PolarHBondContact OD2-NZ 3.46Å
121	R	96.4	Very high	95.1	Very high	55 Å²	55	57.7 Å²	57.7	21%	0.208	30%	0.295	C	S	.	.	H	α-helix	trans	-70.6	-41	176.8	-63.8	-53.9	178.6	175.9	4.2	112.8	E90 I93 P117 V118 L119 R123 K124 L125	E90-R121 VanDerWaalsContact CB-CZ 3.47Å; E90-R121 WeakPolarHBondContact O-CD 3.11Å; E90-R121 WeakPolarHBondContact O-CG 3.21Å; E90-R121 IonicContact OE1-CZ 2.74Å; E90-R121 IonicContact OE1-NH1 3.53Å; E90-R121 PolarHBondContact OE1-NH1 2.79Å; E90-R121 IonicContact OE1-NH2 3.52Å; E90-R121 PolarHBondContact OE1-NH2 3.1Å; E90-R121 IonicContact OE2-CZ 3.2Å; E90-R121 IonicContact OE2-NH1 2.92Å; E90-R121 PolarHBondContact OE2-NH1 2.74Å; E90-R121 IonicContact OE2-NH2 3.67Å; I93-R121 HydrophobicContact CD1-CB 3.86Å; I93-R121 HydrophobicContact CD1-CG 3.66Å; I93-R121 HydrophobicContact CG1-CG 4.42Å; P117-R121 WeakPolarHBondContact O-CG 3.44Å; P117-R121 PolarHBondContact O-N 2.71Å; V118-R121 PolarHBondContact O-N 2.9Å; V118-R121 VanDerWaalsContact O-N 3.17Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.43Å; R121-R123 VanDerWaalsContact C-N 3.29Å; R121-R123 PolarHBondContact O-N 2.81Å; R121-K124 PolarHBondContact O-N 3.16Å; R121-L125 PolarHBondContact O-N 3.02Å
122	I	97.6	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-42.2	173.6	-67.4	166.3	0	0	0	110.2	I7 V66 V118 L119 K124 L125 A126 F135 L153 L157 Y161	I7-I122 HydrophobicContact CD1-CD1 3.67Å; I7-I122 HydrophobicContact CD1-CG1 4.24Å; I7-I122 HydrophobicContact CG1-CD1 4.39Å; V66-I122 HydrophobicContact CG2-CG1 4.04Å; V118-I122 HydrophobicContact CG1-CD1 3.78Å; V118-I122 HydrophobicContact CG1-CG1 4.49Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.76Å; L119-I122 PolarHBondContact O-N 3.46Å; I122-K124 PolarHBondContact O-N 3.37Å; I122-L125 WeakPolarHBondContact O-CB 3.47Å; I122-L125 PolarHBondContact O-N 3.37Å; I122-A126 PolarHBondContact O-N 2.79Å; I122-F135 HydrophobicContact CG2-CD1 4.44Å; I122-F135 HydrophobicContact CG2-CE1 3.58Å; I122-F135 HydrophobicContact CG2-CZ 4.16Å; I122-L153 HydrophobicContact CD1-CD1 3.86Å; I122-L157 HydrophobicContact CD1-CD2 4.31Å; I122-L157 HydrophobicContact CG2-CD2 4.14Å; I122-Y161 HydrophobicContact CG2-CE2 4.44Å
123	R	97.1	Very high	95	Very high	108 Å²	108	54.3 Å²	54.3	41%	0.408	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-46.6	177.5	-169.9	-177.3	-50.4	161.2	7.9	112.5	L119 D120 R121 L125 A126 D127 Y161	L119-R123 VanDerWaalsContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CB 3.28Å; L119-R123 PolarHBondContact O-N 3.27Å; D120-R123 PolarHBondContact O-N 3.47Å; R121-R123 VanDerWaalsContact C-N 3.29Å; R121-R123 PolarHBondContact O-N 2.81Å; R123-L125 VanDerWaalsContact C-N 3.25Å; R123-L125 PolarHBondContact O-N 3.3Å; R123-A126 WeakPolarHBondContact O-CB 3.43Å; R123-A126 PolarHBondContact O-N 3.24Å; R123-A126 VanDerWaalsContact O-N 3.07Å; R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 3.45Å; R123-Y161 WeakPolarHBondContact CA-OH 3.37Å
124	K	96.2	Very high	95	Very high	87 Å²	87	46.9 Å²	46.9	38%	0.378	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-37.4	175.3	-76.1	168.8	176.3	156.9	0	112.8	D120 R121 I122 Q128	D120-K124 WeakPolarHBondContact O-CG 3.25Å; D120-K124 PolarHBondContact O-N 2.81Å; D120-K124 WeakPolarHBondContact OD2-CE 3.3Å; D120-K124 IonicContact OD2-NZ 3.65Å; D120-K124 PolarHBondContact OD2-NZ 3.46Å; R121-K124 PolarHBondContact O-N 3.16Å; I122-K124 PolarHBondContact O-N 3.37Å; K124-Q128 WeakPolarHBondContact O-CG 3.48Å; K124-Q128 PolarHBondContact O-N 3.19Å
125	L	95.6	Very high	95	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-40.9	174.2	-78.1	-179.5	0	0	0	112.3	I5 V66 Q91 R121 I122 R123 D127 Q128 C129	I5-L125 HydrophobicContact CD1-CB 3.78Å; I5-L125 HydrophobicContact CG1-CB 4.37Å; I5-L125 HydrophobicContact CG2-CD1 4.2Å; V66-L125 HydrophobicContact CG2-CD1 3.54Å; Q91-L125 HydrophobicContact CG-CD1 4.48Å; R121-L125 PolarHBondContact O-N 3.02Å; I122-L125 WeakPolarHBondContact O-CB 3.47Å; I122-L125 PolarHBondContact O-N 3.37Å; R123-L125 VanDerWaalsContact C-N 3.25Å; R123-L125 PolarHBondContact O-N 3.3Å; L125-D127 VanDerWaalsContact C-N 3.33Å; L125-D127 PolarHBondContact O-N 3.12Å; L125-Q128 WeakPolarHBondContact O-CB 3.46Å; L125-Q128 PolarHBondContact O-N 2.85Å; L125-C129 PolarHBondContact O-N 3.35Å; L125-C129 PolarHBondContact O-SG 3.16Å
126	A	95.6	Very high	95	Very high	12 Å²	12	45.7 Å²	45.7	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-38.8	176.7	0	0	0	0	0	111.9	I5 I122 R123 Q128 C129 L132 Y161	I5-A126 HydrophobicContact CD1-CB 4.22Å; I122-A126 PolarHBondContact O-N 2.79Å; R123-A126 WeakPolarHBondContact O-CB 3.43Å; R123-A126 PolarHBondContact O-N 3.24Å; R123-A126 VanDerWaalsContact O-N 3.07Å; A126-Q128 PolarHBondContact O-N 2.91Å; A126-C129 WeakPolarHBondContact O-CB 3.36Å; A126-C129 PolarHBondContact O-N 3.34Å; A126-L132 HydrophobicContact CB-CD2 3.93Å; A126-Y161 HydrophobicContact CB-CE1 3.99Å
127	D	94.6	Very high	95.1	Very high	125 Å²	125	40.2 Å²	40.2	67%	0.668	21%	0.212	S	C	*	.	H	α-helix	trans	-65.7	-24.3	176.3	-68.4	-19.4	0	0	0	112.4	R123 L125 C129	R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 3.45Å; L125-D127 VanDerWaalsContact C-N 3.33Å; L125-D127 PolarHBondContact O-N 3.12Å; D127-C129 VanDerWaalsContact C-N 3.3Å
128	Q	91.3	Very high	95.2	Very high	117 Å²	117	37.3 Å²	37.3	55%	0.547	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.5	173.3	-69.7	173	0.4	0	0	113.3	K124 L125 A126	K124-Q128 WeakPolarHBondContact O-CG 3.48Å; K124-Q128 PolarHBondContact O-N 3.19Å; L125-Q128 WeakPolarHBondContact O-CB 3.46Å; L125-Q128 PolarHBondContact O-N 2.85Å; A126-Q128 PolarHBondContact O-N 2.91Å
129	C	92.6	Very high	95.2	Very high	19 Å²	19	37.4 Å²	37.4	13%	0.128	19%	0.193	C	C	.	.			trans	-96	135.2	178.7	-65.3	0	0	0	0	110.5	E3 R64 L125 A126 D127 L132	E3-C129 HydrophobicContact CB-CB 3.98Å; E3-C129 VanDerWaalsContact CB-SG 3.56Å; E3-C129 HydrophobicContact CG-CB 4.18Å; R64-C129 PolarHBondContact NH1-SG 2.85Å; R64-C129 VanDerWaalsContact NH1-SG 3.42Å; L125-C129 PolarHBondContact O-N 3.35Å; L125-C129 PolarHBondContact O-SG 3.16Å; A126-C129 WeakPolarHBondContact O-CB 3.36Å; A126-C129 PolarHBondContact O-N 3.34Å; D127-C129 VanDerWaalsContact C-N 3.3Å; C129-L132 HydrophobicContact CB-CB 3.97Å
130	T	91	Very high	95.1	Very high	111 Å²	111	37.7 Å²	37.7	68%	0.681	20%	0.196	S	C	*	.	S	Bend	trans	-79.5	-31.3	173.8	61.8	0	0	0	0	112.1	E3	E3-T130 PolarHBondContact OE1-N 2.79Å; E3-T130 PolarHBondContact OE1-OG1 2.83Å
131	G	89.4	Confident	95	Very high	30 Å²	30	35 Å²	35	31%	0.309	18%	0.181	S	C	.	.	S	Bend	trans	-152	61.6	-176.2	0	0	0	0	0	112.4	E3 Q133	E3-G131 PolarHBondContact N-O 3.07Å; E3-G131 WeakPolarHBondContact OE2-CA 3.35Å; E3-G131 PolarHBondContact OE2-N 3.45Å; G131-Q133 PolarHBondContact O-N 3.1Å; G131-Q133 VanDerWaalsContact O-N 3.16Å
132	L	93.5	Very high	94.7	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	17%	0.174	C	C	.	.			trans	-52.5	120.7	176.8	179.7	66.1	0	0	0	110.7	E3 I5 A126 C129 F135 K164	E3-L132 WeakPolarHBondContact O-CA 3.31Å; I5-L132 HydrophobicContact CB-CD1 4.46Å; I5-L132 HydrophobicContact CD1-CD1 3.72Å; I5-L132 HydrophobicContact CD1-CD2 4.23Å; I5-L132 HydrophobicContact CG1-CD1 3.79Å; A126-L132 HydrophobicContact CB-CD2 3.93Å; C129-L132 HydrophobicContact CB-CB 3.97Å; L132-F135 HydrophobicContact CD2-CE1 4.25Å; L132-F135 HydrophobicContact CD2-CZ 3.89Å; L132-K164 WeakPolarHBondContact O-CD 3.48Å; L132-K164 WeakPolarHBondContact O-CE 3.4Å; L132-K164 PolarHBondContact O-NZ 2.83Å
133	Q	91.1	Very high	94.6	Very high	28 Å²	28	33.4 Å²	33.4	13%	0.131	18%	0.182	C	C	.	.			trans	-80.9	-46.5	175	-63	-161.2	-53.7	0	0	111.4	R2 E3 G131 S165 L252	R2-Q133 VanDerWaalsContact CB-CD 3.44Å; R2-Q133 HydrophobicContact CB-CG 3.81Å; R2-Q133 VanDerWaalsContact CD-NE2 3.29Å; R2-Q133 HydrophobicContact CG-CG 4.21Å; R2-Q133 VanDerWaalsContact CG-NE2 3.3Å; E3-Q133 PolarHBondContact O-N 2.99Å; G131-Q133 PolarHBondContact O-N 3.1Å; G131-Q133 VanDerWaalsContact O-N 3.16Å; Q133-S165 PolarHBondContact O-N 3.36Å; Q133-L252 HydrophobicContact CB-CD1 3.94Å; Q133-L252 HydrophobicContact CB-CG 4.47Å
134	G	94.2	Very high	94.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.9	-171.5	-167.8	0	0	0	0	0	114.7	I5 S165	I5-G134 PolarHBondContact N-O 2.73Å; G134-S165 CarbonylContact C-O 3.38Å; G134-S165 WeakPolarHBondContact CA-O 3.42Å
135	F	96.8	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.5	-178.8	-55.1	-80	0	0	0	110.5	I5 I7 I122 L132 V137 L157 Y161 K164 S165 K166 L167	I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.21Å; I5-F135 HydrophobicContact CD1-CE1 4.08Å; I5-F135 HydrophobicContact CG2-CD1 4.23Å; I5-F135 HydrophobicContact CG2-CE1 4.49Å; I5-F135 CarbonylContact O-C 3.54Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.29Å; I7-F135 HydrophobicContact CD1-CB 4.3Å; I7-F135 HydrophobicContact CD1-CD1 3.81Å; I7-F135 HydrophobicContact CD1-CG 4.3Å; I122-F135 HydrophobicContact CG2-CD1 4.44Å; I122-F135 HydrophobicContact CG2-CE1 3.58Å; I122-F135 HydrophobicContact CG2-CZ 4.16Å; L132-F135 HydrophobicContact CD2-CE1 4.25Å; L132-F135 HydrophobicContact CD2-CZ 3.89Å; F135-V137 HydrophobicContact CB-CG2 4.33Å; F135-L157 HydrophobicContact CD2-CD1 4.32Å; F135-L157 HydrophobicContact CD2-CD2 4.5Å; F135-L157 HydrophobicContact CE1-CD2 4.28Å; F135-L157 HydrophobicContact CE2-CD2 4.11Å; F135-L157 HydrophobicContact CG-CD1 4.26Å; F135-L157 HydrophobicContact CZ-CD2 3.99Å; F135-Y161 AromaticContact CE2-CD2 3.95Å; F135-Y161 HydrophobicContact CE2-CD2 3.95Å; F135-Y161 AromaticContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CZ-CD1 4.23Å; F135-Y161 AromaticContact CZ-CD2 3.7Å; F135-Y161 HydrophobicContact CZ-CD2 3.7Å; F135-Y161 HydrophobicContact CZ-CE2 4.05Å; F135-Y161 AromaticContact CZ-CG 3.8Å; F135-Y161 HydrophobicContact CZ-CG 3.8Å; F135-K164 HydrophobicContact CE2-CB 4.27Å; F135-S165 PolarHBondContact N-O 2.68Å; F135-K166 HydrophobicContact CD2-CG 4.06Å; F135-L167 PolarHBondContact O-N 3.45Å
136	L	96.7	Very high	94.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.7	168.9	-58.2	176.9	0	0	0	107.6	I5 S6 I7 F52 F138 L167 F169 T239 L252	I5-L136 PolarHBondContact O-N 3.2Å; S6-L136 CarbonylContact C-O 3.53Å; S6-L136 WeakPolarHBondContact CA-O 3.5Å; I7-L136 PolarHBondContact N-O 3.03Å; F52-L136 HydrophobicContact CE1-CD1 3.8Å; F52-L136 HydrophobicContact CZ-CD1 3.62Å; L136-F138 HydrophobicContact CB-CE2 3.77Å; L136-F138 HydrophobicContact CB-CZ 4.38Å; L136-L167 CarbonylContact C-O 3.51Å; L136-L167 WeakPolarHBondContact CA-O 3.45Å; L136-L167 HydrophobicContact CD2-CB 3.94Å; L136-F169 HydrophobicContact CD2-CE2 4.31Å; L136-T239 HydrophobicContact CD1-CG2 3.92Å; L136-L252 HydrophobicContact CD2-CD2 4Å
137	V	98.1	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.8	-173.2	-175.8	0	0	0	0	109.7	I7 F135 T150 M154 L167 E168 F169	I7-V137 CarbonylContact O-C 3.54Å; I7-V137 WeakPolarHBondContact O-CA 3.36Å; F135-V137 HydrophobicContact CB-CG2 4.33Å; V137-T150 HydrophobicContact CG1-CG2 3.83Å; V137-M154 HydrophobicContact CG2-SD 3.94Å; V137-L167 PolarHBondContact N-O 3.27Å; V137-E168 HydrophobicContact CB-CG 4.27Å; V137-E168 CarbonylContact O-C 3.49Å; V137-E168 VanDerWaalsContact O-CA 3.31Å; V137-E168 WeakPolarHBondContact O-CA 3.45Å; V137-F169 PolarHBondContact O-N 3.44Å
138	F	98.3	Very high	94.8	Very high	2 Å²	2	18 Å²	18	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.3	-179.2	-63	-97.5	0	0	0	109.4	I7 H8 V9 G13 I16 L136 F169 V235	I7-F138 PolarHBondContact O-N 3.32Å; H8-F138 AromaticContact CD2-CD2 3.56Å; H8-F138 AromaticContact CD2-CG 3.78Å; H8-F138 AromaticContact NE2-CD2 3.66Å; H8-F138 AromaticContact NE2-CE2 3.93Å; V9-F138 PolarHBondContact N-O 3.08Å; G13-F138 WeakPolarHBondContact CA-O 3.45Å; I16-F138 HydrophobicContact CG2-CD1 4.06Å; L136-F138 HydrophobicContact CB-CE2 3.77Å; L136-F138 HydrophobicContact CB-CZ 4.38Å; F138-F169 HydrophobicContact CD1-CB 3.5Å; F138-F169 AromaticContact CD1-CD2 3.78Å; F138-F169 HydrophobicContact CD1-CD2 3.78Å; F138-F169 AromaticContact CD1-CG 3.83Å; F138-F169 HydrophobicContact CD1-CG 3.83Å; F138-F169 HydrophobicContact CD2-CD2 4.48Å; F138-F169 HydrophobicContact CE1-CB 3.75Å; F138-F169 HydrophobicContact CE1-CD1 4.32Å; F138-F169 AromaticContact CE1-CD2 3.23Å; F138-F169 HydrophobicContact CE1-CD2 3.23Å; F138-F169 AromaticContact CE1-CE2 3.85Å; F138-F169 HydrophobicContact CE1-CE2 3.85Å; F138-F169 AromaticContact CE1-CG 3.5Å; F138-F169 HydrophobicContact CE1-CG 3.5Å; F138-F169 HydrophobicContact CE2-CD2 4.04Å; F138-F169 HydrophobicContact CE2-CE2 4.43Å; F138-F169 HydrophobicContact CG-CB 4.24Å; F138-F169 HydrophobicContact CG-CD2 4.37Å; F138-F169 AromaticContact CZ-CD2 3.38Å; F138-F169 HydrophobicContact CZ-CD2 3.38Å; F138-F169 AromaticContact CZ-CE2 3.65Å; F138-F169 HydrophobicContact CZ-CE2 3.65Å; F138-F169 HydrophobicContact CZ-CG 4.14Å; F138-V235 HydrophobicContact CE1-CB 4.45Å; F138-V235 HydrophobicContact CE1-CG1 3.59Å; F138-V235 HydrophobicContact CE1-CG2 3.95Å; F138-V235 HydrophobicContact CZ-CG1 3.69Å
139	H	98	Very high	95.1	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	171	-176	75.4	116.5	0	0	0	112.1	V9 F141 G146 T150 E168 F169 S170 I171	V9-H139 HydrophobicContact CB-CB 4.29Å; H139-F141 AromaticContact CE1-CD1 3.72Å; H139-F141 AromaticContact CE1-CE1 3.72Å; H139-G146 WeakPolarHBondContact CB-O 3.28Å; H139-G146 PolarHBondContact ND1-O 3.19Å; H139-T150 HydrophobicContact CB-CG2 4.21Å; H139-T150 WeakPolarHBondContact CB-OG1 3.32Å; H139-E168 IonicContact NE2-OE1 2.61Å; H139-F169 PolarHBondContact N-O 2.91Å; H139-F169 VanDerWaalsContact N-O 3.13Å; H139-S170 WeakPolarHBondContact NE2-CB 3.38Å; H139-S170 PolarHBondContact NE2-OG 2.98Å; H139-S170 WeakPolarHBondContact O-CA 3.44Å; H139-I171 PolarHBondContact O-N 3.06Å
140	S	95.6	Very high	95.4	Very high	17 Å²	17	11.5 Å²	11.5	12%	0.119	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.2	170.7	61.9	0	0	0	0	111.1	G142 G143 G146 S147	S140-G142 VanDerWaalsContact C-N 3.35Å; S140-G143 PolarHBondContact OG-N 3.45Å; S140-G146 CarbonylContact O-C 3.52Å; S140-G146 WeakPolarHBondContact O-CA 3.36Å; S140-S147 PolarHBondContact O-N 3.27Å
141	F	94.8	Very high	95.7	Very high	1 Å²	1	6.2 Å²	6.2	0%	0.004	5%	0.047	C	C	.	.	S	Bend	trans	-70.3	-31.8	169.4	-70.8	-28	0	0	0	113.3	H139 S147 S170 I171 Y172 N186 S187 T190 M203 W388	H139-F141 AromaticContact CE1-CD1 3.72Å; H139-F141 AromaticContact CE1-CE1 3.72Å; F141-S147 WeakPolarHBondContact O-CB 3.34Å; F141-S170 VanDerWaalsContact CE1-CB 3.47Å; F141-S170 VanDerWaalsContact CZ-CB 3.41Å; F141-I171 PolarHBondContact N-O 3.16Å; F141-Y172 HydrophobicContact CD2-CD2 4.36Å; F141-N186 CarbonylContact O-C 3.53Å; F141-N186 VanDerWaalsContact O-CB 3.27Å; F141-N186 WeakPolarHBondContact O-CB 3.24Å; F141-S187 WeakPolarHBondContact CB-OG 3.33Å; F141-S187 PolarHBondContact O-N 3.32Å; F141-T190 HydrophobicContact CB-CG2 4.41Å; F141-T190 HydrophobicContact CD1-CG2 3.52Å; F141-T190 HydrophobicContact CE1-CG2 4.12Å; F141-T190 HydrophobicContact CG-CG2 4.29Å; F141-M203 HydrophobicContact CE2-CG 4.24Å; F141-M203 HydrophobicContact CE2-SD 3.87Å; F141-M203 HydrophobicContact CZ-SD 4.45Å; F141-W388 AromaticContact CE2-CH2 3.97Å; F141-W388 HydrophobicContact CE2-CH2 3.97Å; F141-W388 HydrophobicContact CE2-CZ3 4.36Å; F141-W388 HydrophobicContact CZ-CH2 4.1Å
142	G	91.6	Very high	96.1	Very high	6 Å²	6	5 Å²	5	6%	0.062	3%	0.033	C	C	.	.	S	Bend	trans	-78.3	-34.9	-172	0	0	0	0	0	115.8	S140 N186	S140-G142 VanDerWaalsContact C-N 3.35Å; G142-N186 PolarHBondContact O-ND2 2.82Å
143	G	93.8	Very high	96.4	Very high	16 Å²	16	4.4 Å²	4.4	17%	0.165	3%	0.03	C	C	.	.	S	Bend	trans	-82.9	145.2	-175.3	0	0	0	0	0	112.9	S140 T145 G146 S147	S140-G143 PolarHBondContact OG-N 3.45Å; G143-T145 PolarHBondContact O-N 3.05Å; G143-G146 PolarHBondContact O-N 2.87Å; G143-S147 VanDerWaalsContact O-CB 3.32Å; G143-S147 WeakPolarHBondContact O-CB 3.49Å; G143-S147 PolarHBondContact O-N 3.29Å; G143-S147 PolarHBondContact O-OG 3.12Å
144	G	95.5	Very high	96.7	Very high	2 Å²	2	3 Å²	3	2%	0.021	2%	0.024	C	C	.	.	H	α-helix	trans	-63.5	-36.8	-176.5	0	0	0	0	0	114.2	A99 S147 G148	A99-G144 VanDerWaalsContact CB-C 3.41Å; G144-S147 PolarHBondContact O-OG 3.37Å; G144-G148 PolarHBondContact O-N 2.87Å
145	T	97.1	Very high	96.8	Very high	12 Å²	12	5.6 Å²	5.6	7%	0.074	4%	0.036	C	C	.	.	I	π-helix	trans	-70.9	-48.5	172.6	-52.3	0	0	0	0	110.3	V9 L70 G143 S147 F149	V9-T145 HydrophobicContact CG1-CG2 3.98Å; L70-T145 HydrophobicContact CB-CG2 4.46Å; L70-T145 HydrophobicContact CD1-CG2 4.14Å; L70-T145 HydrophobicContact CG-CG2 3.77Å; G143-T145 PolarHBondContact O-N 3.05Å; T145-S147 PolarHBondContact O-N 3.44Å; T145-F149 HydrophobicContact CG2-CB 4.17Å; T145-F149 VanDerWaalsContact O-CB 3.23Å; T145-F149 WeakPolarHBondContact O-CB 3.22Å; T145-F149 PolarHBondContact O-N 3.19Å; T145-F149 VanDerWaalsContact O-N 3.15Å
146	G	96.5	Very high	96.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	6%	0.056	C	C	.	.	I	π-helix	trans	-63.4	-28.5	-178.4	0	0	0	0	0	113.7	H139 S140 G143 T150	H139-G146 WeakPolarHBondContact CB-O 3.28Å; H139-G146 PolarHBondContact ND1-O 3.19Å; S140-G146 CarbonylContact O-C 3.52Å; S140-G146 WeakPolarHBondContact O-CA 3.36Å; G143-G146 PolarHBondContact O-N 2.87Å; G146-T150 WeakPolarHBondContact O-CB 3.43Å; G146-T150 PolarHBondContact O-OG1 3.34Å
147	S	97.1	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-90.1	-69.5	176.1	64.9	0	0	0	0	110.5	S140 F141 G143 G144 T145 F149 T150 S151 T190	S140-S147 PolarHBondContact O-N 3.27Å; F141-S147 WeakPolarHBondContact O-CB 3.34Å; G143-S147 VanDerWaalsContact O-CB 3.32Å; G143-S147 WeakPolarHBondContact O-CB 3.49Å; G143-S147 PolarHBondContact O-N 3.29Å; G143-S147 PolarHBondContact O-OG 3.12Å; G144-S147 PolarHBondContact O-OG 3.37Å; T145-S147 PolarHBondContact O-N 3.44Å; S147-F149 PolarHBondContact O-N 3.21Å; S147-T150 PolarHBondContact O-N 3.05Å; S147-S151 PolarHBondContact O-N 3.31Å; S147-S151 PolarHBondContact O-OG 2.87Å; S147-T190 PolarHBondContact O-OG1 2.97Å
148	G	97.5	Very high	96.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-63.4	-47.6	-170.8	0	0	0	0	0	114.5	Y103 G106 H107 G144 T150 S151 L152	Y103-G148 VanDerWaalsContact CD2-CA 3.4Å; Y103-G148 VanDerWaalsContact CE2-CA 3.48Å; G106-G148 VanDerWaalsContact C-C 3.47Å; G106-G148 CarbonylContact O-C 3.59Å; H107-G148 PolarHBondContact ND1-O 2.9Å; G144-G148 PolarHBondContact O-N 2.87Å; G148-T150 VanDerWaalsContact C-N 3.34Å; G148-S151 PolarHBondContact O-N 3.27Å; G148-L152 PolarHBondContact O-N 3Å; G148-L152 VanDerWaalsContact O-N 3.09Å
149	F	98.4	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-70.7	-34.1	-179.5	-173.8	-96	0	0	0	111.5	V9 V68 G106 I114 I115 V118 T145 S147 L152 L153	V9-F149 HydrophobicContact CG1-CB 4.31Å; V9-F149 HydrophobicContact CG1-CD1 3.72Å; V9-F149 HydrophobicContact CG1-CG 4.49Å; V9-F149 HydrophobicContact CG2-CD1 4.49Å; V68-F149 HydrophobicContact CB-CE1 4.28Å; V68-F149 HydrophobicContact CG1-CD1 4.25Å; V68-F149 HydrophobicContact CG1-CE1 3.64Å; V68-F149 HydrophobicContact CG1-CZ 4.04Å; G106-F149 VanDerWaalsContact O-CA 3.27Å; G106-F149 WeakPolarHBondContact O-CA 3.36Å; G106-F149 PolarHBondContact O-N 2.91Å; I114-F149 HydrophobicContact CG2-CD2 4.04Å; I114-F149 HydrophobicContact CG2-CE2 3.35Å; I114-F149 HydrophobicContact CG2-CZ 3.85Å; I115-F149 HydrophobicContact CB-CE2 4.15Å; I115-F149 HydrophobicContact CD1-CE2 4.07Å; I115-F149 HydrophobicContact CD1-CZ 3.92Å; V118-F149 HydrophobicContact CB-CZ 4.13Å; V118-F149 HydrophobicContact CG1-CE1 4.34Å; V118-F149 HydrophobicContact CG1-CZ 4.19Å; V118-F149 HydrophobicContact CG2-CE1 4.41Å; V118-F149 HydrophobicContact CG2-CZ 3.86Å; T145-F149 HydrophobicContact CG2-CB 4.17Å; T145-F149 VanDerWaalsContact O-CB 3.23Å; T145-F149 WeakPolarHBondContact O-CB 3.22Å; T145-F149 PolarHBondContact O-N 3.19Å; T145-F149 VanDerWaalsContact O-N 3.15Å; S147-F149 PolarHBondContact O-N 3.21Å; F149-L152 HydrophobicContact CD2-CD2 4.48Å; F149-L152 PolarHBondContact O-N 2.81Å; F149-L153 HydrophobicContact CE1-CB 4.41Å; F149-L153 HydrophobicContact CE1-CD2 4.43Å; F149-L153 VanDerWaalsContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CB 3.33Å; F149-L153 PolarHBondContact O-N 3.29Å
150	T	98.4	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-47.1	174.4	-57.8	0	0	0	0	111.2	V9 V137 H139 G146 S147 G148 L152 L153 M154	V9-T150 WeakPolarHBondContact CG1-OG1 3.21Å; V137-T150 HydrophobicContact CG1-CG2 3.83Å; H139-T150 HydrophobicContact CB-CG2 4.21Å; H139-T150 WeakPolarHBondContact CB-OG1 3.32Å; G146-T150 WeakPolarHBondContact O-CB 3.43Å; G146-T150 PolarHBondContact O-OG1 3.34Å; S147-T150 PolarHBondContact O-N 3.05Å; G148-T150 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 2.88Å; T150-L153 PolarHBondContact O-N 3.43Å; T150-L153 VanDerWaalsContact O-N 3.13Å; T150-M154 HydrophobicContact CG2-CG 4.12Å; T150-M154 WeakPolarHBondContact O-CB 3.29Å; T150-M154 VanDerWaalsContact O-CG 3.26Å; T150-M154 WeakPolarHBondContact O-CG 3.3Å; T150-M154 PolarHBondContact O-N 2.98Å
151	S	97.9	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.8	-49.5	175.2	-66.9	0	0	0	0	112	Y103 S147 G148 L153 M154 E155 T190 T193	Y103-S151 WeakPolarHBondContact OH-CB 3.4Å; S147-S151 PolarHBondContact O-N 3.31Å; S147-S151 PolarHBondContact O-OG 2.87Å; G148-S151 PolarHBondContact O-N 3.27Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 3.37Å; S151-M154 PolarHBondContact O-N 2.82Å; S151-E155 WeakPolarHBondContact O-CG 3.36Å; S151-E155 PolarHBondContact O-N 3.29Å; S151-E155 VanDerWaalsContact O-N 3.11Å; S151-T190 WeakPolarHBondContact OG-CA 3.25Å; S151-T190 PolarHBondContact OG-OG1 3.4Å; S151-T193 WeakPolarHBondContact CB-OG1 3.47Å; S151-T193 PolarHBondContact OG-OG1 2.84Å
152	L	97.9	Very high	96.5	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-41.6	176.3	176.9	64.9	0	0	0	111.9	H107 K112 I115 G148 F149 T150 R156	H107-L152 PolarHBondContact ND1-N 3.18Å; K112-L152 HydrophobicContact CG-CD2 4.4Å; I115-L152 HydrophobicContact CB-CD2 3.95Å; I115-L152 HydrophobicContact CD1-CD2 4.37Å; I115-L152 HydrophobicContact CD1-CG 4.21Å; I115-L152 HydrophobicContact CG1-CD2 4.08Å; I115-L152 HydrophobicContact CG1-CG 4.14Å; I115-L152 HydrophobicContact CG2-CD2 4.33Å; G148-L152 PolarHBondContact O-N 3Å; G148-L152 VanDerWaalsContact O-N 3.09Å; F149-L152 HydrophobicContact CD2-CD2 4.48Å; F149-L152 PolarHBondContact O-N 2.81Å; T150-L152 PolarHBondContact O-N 2.88Å; L152-R156 VanDerWaalsContact O-CG 3.25Å; L152-R156 WeakPolarHBondContact O-CG 3.04Å; L152-R156 PolarHBondContact O-N 3.29Å
153	L	98.2	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-42.1	179.3	178.8	63.9	0	0	0	111.8	I7 V9 I115 V118 L119 I122 F149 T150 S151 R156 L157	I7-L153 HydrophobicContact CD1-CD2 4.31Å; I7-L153 HydrophobicContact CG2-CD2 3.83Å; V9-L153 HydrophobicContact CG2-CD2 4.24Å; I115-L153 HydrophobicContact CD1-CB 4.3Å; I115-L153 HydrophobicContact CD1-CD1 3.93Å; V118-L153 HydrophobicContact CG1-CD1 4.16Å; L119-L153 HydrophobicContact CD2-CD1 3.96Å; I122-L153 HydrophobicContact CD1-CD1 3.86Å; F149-L153 HydrophobicContact CE1-CB 4.41Å; F149-L153 HydrophobicContact CE1-CD2 4.43Å; F149-L153 VanDerWaalsContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CB 3.33Å; F149-L153 PolarHBondContact O-N 3.29Å; T150-L153 PolarHBondContact O-N 3.43Å; T150-L153 VanDerWaalsContact O-N 3.13Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 3.37Å; L153-R156 PolarHBondContact O-N 3.18Å; L153-L157 HydrophobicContact CD1-CD1 4.23Å; L153-L157 HydrophobicContact CD1-CG 4.06Å; L153-L157 HydrophobicContact CD2-CD1 4.42Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.18Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.19Å
154	M	97.9	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-39.2	-179.2	-73.5	-68.1	-79	0	0	112.2	V137 T150 S151 S158 K166 E168 T194 H197	V137-M154 HydrophobicContact CG2-SD 3.94Å; T150-M154 HydrophobicContact CG2-CG 4.12Å; T150-M154 WeakPolarHBondContact O-CB 3.29Å; T150-M154 VanDerWaalsContact O-CG 3.26Å; T150-M154 WeakPolarHBondContact O-CG 3.3Å; T150-M154 PolarHBondContact O-N 2.98Å; S151-M154 PolarHBondContact O-N 2.82Å; M154-S158 WeakPolarHBondContact O-CB 3.42Å; M154-S158 PolarHBondContact O-N 2.77Å; M154-S158 PolarHBondContact O-OG 3.19Å; M154-K166 HydrophobicContact CE-CB 3.89Å; M154-K166 HydrophobicContact CE-CD 4.36Å; M154-K166 HydrophobicContact SD-CB 4.37Å; M154-K166 HydrophobicContact SD-CD 4.45Å; M154-E168 HydrophobicContact CE-CG 4.08Å; M154-T194 HydrophobicContact CB-CG2 4.22Å; M154-T194 HydrophobicContact CG-CG2 4.15Å; M154-H197 HydrophobicContact CB-CB 3.98Å; M154-H197 HydrophobicContact CE-CB 4.4Å; M154-H197 VanDerWaalsContact CE-O 3.26Å; M154-H197 WeakPolarHBondContact CE-O 3.4Å
155	E	96.9	Very high	96.5	Very high	53 Å²	53	37.3 Å²	37.3	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-50.6	170.2	-73.3	170.8	-164.6	0	0	111.1	H107 S151 S158 V159 H197	H107-E155 IonicContact CE1-OE1 2.79Å; H107-E155 PolarHBondContact CE1-OE1 3.32Å; H107-E155 VanDerWaalsContact CE1-OE1 3.25Å; H107-E155 IonicContact CE1-OE2 2.91Å; H107-E155 IonicContact NE2-OE1 3.25Å; S151-E155 WeakPolarHBondContact O-CG 3.36Å; S151-E155 PolarHBondContact O-N 3.29Å; S151-E155 VanDerWaalsContact O-N 3.11Å; E155-S158 PolarHBondContact O-N 2.74Å; E155-V159 WeakPolarHBondContact O-CG2 3.49Å; E155-V159 PolarHBondContact O-N 3.13Å; E155-V159 VanDerWaalsContact O-N 3.08Å; E155-H197 WeakPolarHBondContact CG-NE2 3.3Å
156	R	97.7	Very high	96.4	Very high	116 Å²	116	37.2 Å²	37.2	44%	0.438	19%	0.191	S	C	.	.	H	α-helix	trans	-67.2	-40.3	-177.9	-63.3	-66.4	175.7	-164.6	-5.2	112.5	I115 L119 L152 L153 S158 V159 D160	I115-R156 HydrophobicContact CD1-CG 4.33Å; I115-R156 HydrophobicContact CG1-CG 4.11Å; L119-R156 HydrophobicContact CD1-CB 3.79Å; L119-R156 HydrophobicContact CD1-CG 4.04Å; L119-R156 HydrophobicContact CD2-CB 3.91Å; L119-R156 HydrophobicContact CG-CB 4.43Å; L152-R156 VanDerWaalsContact O-CG 3.25Å; L152-R156 WeakPolarHBondContact O-CG 3.04Å; L152-R156 PolarHBondContact O-N 3.29Å; L153-R156 PolarHBondContact O-N 3.18Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 2.8Å; R156-V159 PolarHBondContact O-N 2.94Å; R156-D160 PolarHBondContact O-N 3.01Å
157	L	97.3	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-34.8	174.6	-72.1	178	0	0	0	111.7	I7 L119 I122 F135 L153 Y161 K166	I7-L157 HydrophobicContact CD1-CD1 3.83Å; L119-L157 HydrophobicContact CD2-CD2 4.36Å; I122-L157 HydrophobicContact CD1-CD2 4.31Å; I122-L157 HydrophobicContact CG2-CD2 4.14Å; F135-L157 HydrophobicContact CD2-CD1 4.32Å; F135-L157 HydrophobicContact CD2-CD2 4.5Å; F135-L157 HydrophobicContact CE1-CD2 4.28Å; F135-L157 HydrophobicContact CE2-CD2 4.11Å; F135-L157 HydrophobicContact CG-CD1 4.26Å; F135-L157 HydrophobicContact CZ-CD2 3.99Å; L153-L157 HydrophobicContact CD1-CD1 4.23Å; L153-L157 HydrophobicContact CD1-CG 4.06Å; L153-L157 HydrophobicContact CD2-CD1 4.42Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.18Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.19Å; L157-Y161 HydrophobicContact CD2-CD2 3.9Å; L157-Y161 HydrophobicContact CD2-CE2 4.22Å; L157-Y161 CarbonylContact O-C 3.51Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.49Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 PolarHBondContact O-N 3.45Å; L157-K166 HydrophobicContact CB-CD 4.3Å
158	S	96.5	Very high	96.3	Very high	26 Å²	26	37.4 Å²	37.4	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-34.2	175.9	-62.9	0	0	0	0	112.3	M154 E155 R156 G162 K166 H197	M154-S158 WeakPolarHBondContact O-CB 3.42Å; M154-S158 PolarHBondContact O-N 2.77Å; M154-S158 PolarHBondContact O-OG 3.19Å; E155-S158 PolarHBondContact O-N 2.74Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 2.8Å; S158-G162 WeakPolarHBondContact O-CA 3.4Å; S158-G162 PolarHBondContact O-N 3.2Å; S158-G162 VanDerWaalsContact O-N 3.13Å; S158-K166 WeakPolarHBondContact OG-CE 3.48Å; S158-H197 WeakPolarHBondContact OG-CB 3.43Å; S158-H197 PolarHBondContact OG-ND1 3.18Å
159	V	97.1	Very high	96.3	Very high	111 Å²	111	37.7 Å²	37.7	67%	0.673	19%	0.193	S	C	*	.	H	α-helix	trans	-68.5	-51	173.2	174.4	0	0	0	0	111.5	E155 R156	E155-V159 WeakPolarHBondContact O-CG2 3.49Å; E155-V159 PolarHBondContact O-N 3.13Å; E155-V159 VanDerWaalsContact O-N 3.08Å; R156-V159 PolarHBondContact O-N 2.94Å
160	D	96.1	Very high	96.1	Very high	78 Å²	78	37.7 Å²	37.7	42%	0.417	19%	0.193	S	C	.	.	H	α-helix	trans	-78.2	-32.7	-173.7	-73.9	-3	0	0	0	112.5	R156	R156-D160 PolarHBondContact O-N 3.01Å
161	Y	96	Very high	95.9	Very high	39 Å²	39	38 Å²	38	15%	0.153	20%	0.195	C	C	.	.	S	Bend	trans	-130.9	39.6	-172	-58	-80.9	0	0	0	113.1	I122 R123 A126 F135 L157 K163 K164	I122-Y161 HydrophobicContact CG2-CE2 4.44Å; R123-Y161 WeakPolarHBondContact CA-OH 3.37Å; A126-Y161 HydrophobicContact CB-CE1 3.99Å; F135-Y161 AromaticContact CE2-CD2 3.95Å; F135-Y161 HydrophobicContact CE2-CD2 3.95Å; F135-Y161 AromaticContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CE2-CG 3.84Å; F135-Y161 HydrophobicContact CZ-CD1 4.23Å; F135-Y161 AromaticContact CZ-CD2 3.7Å; F135-Y161 HydrophobicContact CZ-CD2 3.7Å; F135-Y161 HydrophobicContact CZ-CE2 4.05Å; F135-Y161 AromaticContact CZ-CG 3.8Å; F135-Y161 HydrophobicContact CZ-CG 3.8Å; L157-Y161 HydrophobicContact CD2-CD2 3.9Å; L157-Y161 HydrophobicContact CD2-CE2 4.22Å; L157-Y161 CarbonylContact O-C 3.51Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.49Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 PolarHBondContact O-N 3.45Å; Y161-K163 PolarHBondContact O-N 3.32Å; Y161-K164 HydrophobicContact CD1-CG 4.43Å; Y161-K164 WeakPolarHBondContact O-CB 3.34Å; Y161-K164 PolarHBondContact O-N 3.41Å
162	G	92.1	Very high	95.6	Very high	53 Å²	53	38.3 Å²	38.3	55%	0.546	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.1	-171.8	0	0	0	0	0	117.5	S158	S158-G162 WeakPolarHBondContact O-CA 3.4Å; S158-G162 PolarHBondContact O-N 3.2Å; S158-G162 VanDerWaalsContact O-N 3.13Å
163	K	91.9	Very high	95.1	Very high	209 Å²	209	38.6 Å²	38.6	91%	0.909	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-3	175.8	-65.2	-173.8	178.9	-178.5	0	114.5	Y161	Y161-K163 PolarHBondContact O-N 3.32Å
164	K	94.3	Very high	94.2	Very high	74 Å²	74	38.7 Å²	38.7	32%	0.322	20%	0.199	S	C	.	.	S	Bend	trans	-96.5	138.7	-175.6	-57.6	-56.7	-175.5	177.7	0	109.9	L132 F135 Y161 K166	L132-K164 WeakPolarHBondContact O-CD 3.48Å; L132-K164 WeakPolarHBondContact O-CE 3.4Å; L132-K164 PolarHBondContact O-NZ 2.83Å; F135-K164 HydrophobicContact CE2-CB 4.27Å; Y161-K164 HydrophobicContact CD1-CG 4.43Å; Y161-K164 WeakPolarHBondContact O-CB 3.34Å; Y161-K164 PolarHBondContact O-N 3.41Å; K164-K166 PolarHBondContact O-NZ 3.5Å
165	S	93.6	Very high	92.8	Very high	8 Å²	8	42.4 Å²	42.4	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.9	179.7	-60.8	0	0	0	0	110.7	Q133 G134 F135 D199	Q133-S165 PolarHBondContact O-N 3.36Å; G134-S165 CarbonylContact C-O 3.38Å; G134-S165 WeakPolarHBondContact CA-O 3.42Å; F135-S165 PolarHBondContact N-O 2.68Å; S165-D199 VanDerWaalsContact CA-OD2 3.22Å; S165-D199 WeakPolarHBondContact CA-OD2 3.36Å
166	K	95.9	Very high	91.4	Very high	10 Å²	10	45.4 Å²	45.4	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.3	177.3	-63.7	159.4	-64.4	-66.7	0	107.6	F135 M154 L157 S158 K164 H197 D199	F135-K166 HydrophobicContact CD2-CG 4.06Å; M154-K166 HydrophobicContact CE-CB 3.89Å; M154-K166 HydrophobicContact CE-CD 4.36Å; M154-K166 HydrophobicContact SD-CB 4.37Å; M154-K166 HydrophobicContact SD-CD 4.45Å; L157-K166 HydrophobicContact CB-CD 4.3Å; S158-K166 WeakPolarHBondContact OG-CE 3.48Å; K164-K166 PolarHBondContact O-NZ 3.5Å; K166-H197 WeakPolarHBondContact CD-O 3.34Å; K166-H197 WeakPolarHBondContact CE-O 3.35Å; K166-D199 PolarHBondContact N-OD2 3.07Å; K166-D199 IonicContact NZ-OD2 3.67Å; K166-D199 WeakPolarHBondContact O-CB 2.93Å; K166-D199 PolarHBondContact O-N 2.87Å
167	L	94.9	Very high	90	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.1	178.5	-66.6	75.4	0	0	0	109.1	F135 L136 V137 C200 F202 L252 F255	F135-L167 PolarHBondContact O-N 3.45Å; L136-L167 CarbonylContact C-O 3.51Å; L136-L167 WeakPolarHBondContact CA-O 3.45Å; L136-L167 HydrophobicContact CD2-CB 3.94Å; V137-L167 PolarHBondContact N-O 3.27Å; L167-C200 CarbonylContact C-O 3.41Å; L167-C200 WeakPolarHBondContact CA-O 3.28Å; L167-C200 HydrophobicContact CG-CB 4.27Å; L167-F202 HydrophobicContact CD2-CE2 4Å; L167-L252 HydrophobicContact CD1-CB 4.05Å; L167-L252 HydrophobicContact CD1-CD1 4.15Å; L167-L252 HydrophobicContact CD1-CD2 3.82Å; L167-L252 HydrophobicContact CD1-CG 4.23Å; L167-L252 HydrophobicContact CD2-CD2 3.85Å; L167-L252 HydrophobicContact CG-CD2 4.47Å; L167-F255 HydrophobicContact CD2-CB 4.2Å; L167-F255 HydrophobicContact CD2-CD2 4.27Å; L167-F255 HydrophobicContact CD2-CG 4.36Å
168	E	96.6	Very high	88.8	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.5	-178.8	-66.3	173.2	122.9	0	0	111.4	V137 H139 M154 S198 C200 A201 F202	V137-E168 HydrophobicContact CB-CG 4.27Å; V137-E168 CarbonylContact O-C 3.49Å; V137-E168 VanDerWaalsContact O-CA 3.31Å; V137-E168 WeakPolarHBondContact O-CA 3.45Å; H139-E168 IonicContact NE2-OE1 2.61Å; M154-E168 HydrophobicContact CE-CG 4.08Å; E168-S198 WeakPolarHBondContact OE2-CB 3.35Å; E168-S198 PolarHBondContact OE2-OG 3.37Å; E168-C200 PolarHBondContact N-O 2.99Å; E168-A201 HydrophobicContact CB-CB 3.93Å; E168-F202 PolarHBondContact O-N 2.82Å
169	F	96.2	Very high	87.8	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	96.1	163.9	-68.6	-84	0	0	0	106.9	L136 V137 F138 H139 F202 V235 I238	L136-F169 HydrophobicContact CD2-CE2 4.31Å; V137-F169 PolarHBondContact O-N 3.44Å; F138-F169 HydrophobicContact CD1-CB 3.5Å; F138-F169 AromaticContact CD1-CD2 3.78Å; F138-F169 HydrophobicContact CD1-CD2 3.78Å; F138-F169 AromaticContact CD1-CG 3.83Å; F138-F169 HydrophobicContact CD1-CG 3.83Å; F138-F169 HydrophobicContact CD2-CD2 4.48Å; F138-F169 HydrophobicContact CE1-CB 3.75Å; F138-F169 HydrophobicContact CE1-CD1 4.32Å; F138-F169 AromaticContact CE1-CD2 3.23Å; F138-F169 HydrophobicContact CE1-CD2 3.23Å; F138-F169 AromaticContact CE1-CE2 3.85Å; F138-F169 HydrophobicContact CE1-CE2 3.85Å; F138-F169 AromaticContact CE1-CG 3.5Å; F138-F169 HydrophobicContact CE1-CG 3.5Å; F138-F169 HydrophobicContact CE2-CD2 4.04Å; F138-F169 HydrophobicContact CE2-CE2 4.43Å; F138-F169 HydrophobicContact CG-CB 4.24Å; F138-F169 HydrophobicContact CG-CD2 4.37Å; F138-F169 AromaticContact CZ-CD2 3.38Å; F138-F169 HydrophobicContact CZ-CD2 3.38Å; F138-F169 AromaticContact CZ-CE2 3.65Å; F138-F169 HydrophobicContact CZ-CE2 3.65Å; F138-F169 HydrophobicContact CZ-CG 4.14Å; H139-F169 PolarHBondContact N-O 2.91Å; H139-F169 VanDerWaalsContact N-O 3.13Å; F169-F202 HydrophobicContact CD1-CB 3.92Å; F169-F202 AromaticContact CD1-CD2 3.98Å; F169-F202 HydrophobicContact CD1-CD2 3.98Å; F169-F202 HydrophobicContact CD1-CG 4.34Å; F169-F202 HydrophobicContact CE1-CB 4.15Å; F169-F202 AromaticContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CE2 4.25Å; F169-F202 HydrophobicContact CE1-CG 4.09Å; F169-F202 HydrophobicContact CE2-CD2 4.46Å; F169-F202 AromaticContact CZ-CD2 3.81Å; F169-F202 HydrophobicContact CZ-CD2 3.81Å; F169-F202 HydrophobicContact CZ-CE2 4.18Å; F169-V235 HydrophobicContact CD1-CG2 3.86Å; F169-V235 HydrophobicContact CE1-CB 4.45Å; F169-V235 HydrophobicContact CE1-CG1 4.33Å; F169-V235 HydrophobicContact CE1-CG2 3.93Å; F169-V235 HydrophobicContact CE2-CG1 4.35Å; F169-V235 HydrophobicContact CG-CG2 4.4Å; F169-V235 HydrophobicContact CZ-CG1 4.1Å; F169-I238 HydrophobicContact CE1-CD1 3.77Å; F169-I238 HydrophobicContact CE1-CG2 4.49Å; F169-I238 HydrophobicContact CZ-CD1 4.44Å; F169-I238 HydrophobicContact CZ-CG2 4.14Å
170	S	95.4	Very high	87.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.4	-167.8	-48.5	0	0	0	0	110.3	H139 F141 Y172 F202 V204	H139-S170 WeakPolarHBondContact NE2-CB 3.38Å; H139-S170 PolarHBondContact NE2-OG 2.98Å; H139-S170 WeakPolarHBondContact O-CA 3.44Å; F141-S170 VanDerWaalsContact CE1-CB 3.47Å; F141-S170 VanDerWaalsContact CZ-CB 3.41Å; S170-Y172 PolarHBondContact O-N 2.83Å; S170-F202 PolarHBondContact N-O 3.13Å; S170-V204 PolarHBondContact O-N 3.32Å
171	I	94.4	Very high	87	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.4	177.8	-53.5	-47.8	0	0	0	109.5	I16 H139 F141 V204 N206 I231	I16-I171 HydrophobicContact CD1-CD1 3.44Å; I16-I171 VanDerWaalsContact CD1-CD1 3.44Å; I16-I171 HydrophobicContact CD1-CG1 3.47Å; I16-I171 VanDerWaalsContact CD1-CG1 3.47Å; H139-I171 PolarHBondContact O-N 3.06Å; F141-I171 PolarHBondContact N-O 3.16Å; I171-V204 CarbonylContact C-O 3.58Å; I171-V204 WeakPolarHBondContact CA-O 3.34Å; I171-V204 HydrophobicContact CD1-CB 3.69Å; I171-V204 HydrophobicContact CD1-CG1 3.83Å; I171-V204 HydrophobicContact CD1-CG2 4.44Å; I171-N206 WeakPolarHBondContact CG2-ND2 3.41Å; I171-I231 HydrophobicContact CD1-CD1 4.16Å
172	Y	91.8	Very high	86.9	Confident	5 Å²	5	43 Å²	43	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.1	177.7	179.6	-81	0	0	0	109.9	F141 S170 M203 V204 D205 N206 A387 L391	F141-Y172 HydrophobicContact CD2-CD2 4.36Å; S170-Y172 PolarHBondContact O-N 2.83Å; Y172-M203 HydrophobicContact CD2-SD 4.24Å; Y172-V204 PolarHBondContact N-O 3.25Å; Y172-D205 HydrophobicContact CD1-CB 4.19Å; Y172-N206 PolarHBondContact O-N 2.86Å; Y172-A387 HydrophobicContact CE2-CB 4.03Å; Y172-A387 PolarHBondContact OH-O 2.75Å; Y172-L391 HydrophobicContact CD2-CD1 3.99Å; Y172-L391 HydrophobicContact CE2-CD1 3.34Å; Y172-L391 HydrophobicContact CE2-CD2 4.24Å; Y172-L391 HydrophobicContact CE2-CG 3.58Å; Y172-L391 WeakPolarHBondContact OH-CG 3.39Å
173	P	86.9	Confident	87	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.071	22%	0.222	C	C	.	.			trans	-74.2	138.9	-172.3	31.2	-37	0	0	0	112.1	E183 L391	P173-E183 HydrophobicContact CB-CB 4.09Å; P173-E183 WeakPolarHBondContact CB-OE2 3.17Å; P173-L391 HydrophobicContact CG-CD2 3.77Å
174	A	78.6	Confident	87.2	Confident	2 Å²	2	32 Å²	32	2%	0.017	18%	0.182	C	C	.	.			trans	-124.9	127.3	178.2	0	0	0	0	0	110.4	Q176 V177 S178 N206 E207	A174-Q176 PolarHBondContact O-N 3.23Å; A174-V177 HydrophobicContact CB-CG2 3.94Å; A174-V177 PolarHBondContact O-N 2.88Å; A174-V177 VanDerWaalsContact O-N 3.1Å; A174-S178 WeakPolarHBondContact O-CA 3.32Å; A174-S178 WeakPolarHBondContact O-CB 3.1Å; A174-S178 PolarHBondContact O-N 2.88Å; A174-N206 HydrophobicContact CB-CB 3.73Å; A174-E207 HydrophobicContact CB-CB 3.61Å; A174-E207 HydrophobicContact CB-CG 4.45Å; A174-E207 VanDerWaalsContact CB-N 3.33Å
175	P	69.3	Low	87.4	Confident	78 Å²	78	28.5 Å²	28.5	51%	0.506	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.2	-173.2	19.4	-27.1	0	0	0	114.5
176	Q	66.5	Low	87.6	Confident	116 Å²	116	28.1 Å²	28.1	54%	0.542	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-26.8	178.7	-63.1	84.7	-13.4	0	0	113.4	A174 E207	A174-Q176 PolarHBondContact O-N 3.23Å; Q176-E207 PolarHBondContact NE2-OE1 2.98Å; Q176-E207 VanDerWaalsContact OE1-CD 3.26Å; Q176-E207 PolarHBondContact OE1-OE2 3.39Å
177	V	68.8	Low	87.6	Confident	27 Å²	27	27.6 Å²	27.6	16%	0.164	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-2.3	179.1	-61.3	0	0	0	0	112.9	A174 N206 Y210 Y224	A174-V177 HydrophobicContact CB-CG2 3.94Å; A174-V177 PolarHBondContact O-N 2.88Å; A174-V177 VanDerWaalsContact O-N 3.1Å; V177-N206 HydrophobicContact CG2-CB 3.52Å; V177-Y210 HydrophobicContact CG1-CD2 4.02Å; V177-Y210 HydrophobicContact CG1-CE2 4.4Å; V177-Y224 PolarHBondContact O-OH 2.83Å
178	S	73	Confident	87.7	Confident	43 Å²	43	27.5 Å²	27.5	30%	0.301	16%	0.162	S	C	.	.			trans	-66.4	131.2	178.1	168.2	0	0	0	0	110.3	A174 A180 E183	A174-S178 WeakPolarHBondContact O-CA 3.32Å; A174-S178 WeakPolarHBondContact O-CB 3.1Å; A174-S178 PolarHBondContact O-N 2.88Å; S178-A180 PolarHBondContact OG-N 3.43Å; S178-A180 PolarHBondContact OG-O 2.84Å; S178-A180 VanDerWaalsContact OG-O 3.14Å; S178-E183 WeakPolarHBondContact CA-OE1 3.4Å; S178-E183 WeakPolarHBondContact CB-OE1 3.45Å; S178-E183 WeakPolarHBondContact CB-OE2 3.47Å; S178-E183 PolarHBondContact OG-OE1 2.78Å; S178-E183 PolarHBondContact OG-OE2 3.02Å; S178-E183 VanDerWaalsContact OG-OE2 3.05Å
179	T	73.9	Confident	87.8	Confident	118 Å²	118	27.6 Å²	27.6	72%	0.724	16%	0.162	S	C	*	.			trans	-101.4	-10.5	175.1	52.9	0	0	0	0	112.1	E183	T179-E183 PolarHBondContact N-OE1 3.24Å
180	A	85.5	Confident	87.8	Confident	8 Å²	8	27.2 Å²	27.2	7%	0.066	16%	0.161	C	C	.	.			trans	-124.3	128.5	-174.9	0	0	0	0	0	113.1	N101 S178 V182 E183	N101-A180 HydrophobicContact CB-CB 3.75Å; S178-A180 PolarHBondContact OG-N 3.43Å; S178-A180 PolarHBondContact OG-O 2.84Å; S178-A180 VanDerWaalsContact OG-O 3.14Å; A180-V182 PolarHBondContact O-N 2.76Å; A180-E183 HydrophobicContact CB-CG 3.76Å; A180-E183 PolarHBondContact N-OE1 3.28Å; A180-E183 VanDerWaalsContact N-OE1 3.11Å; A180-E183 VanDerWaalsContact O-CG 3.23Å; A180-E183 WeakPolarHBondContact O-CG 3.48Å; A180-E183 PolarHBondContact O-N 3.2Å
181	V	91.2	Very high	87.9	Confident	103 Å²	103	27.3 Å²	27.3	62%	0.624	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.6	178.8	-179.8	0	0	0	0	111.8	P184 F404	V181-P184 WeakPolarHBondContact O-CD 3.29Å; V181-F404 HydrophobicContact CG1-CE2 3.92Å; V181-F404 HydrophobicContact CG1-CZ 4.26Å
182	V	95.2	Very high	88	Confident	21 Å²	21	28.7 Å²	28.7	13%	0.127	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.3	-174.5	-60.7	0	0	0	0	113.9	N101 A180 P184 Y185 N186 F404 Y408	N101-V182 HydrophobicContact CB-CG2 4.31Å; N101-V182 WeakPolarHBondContact O-CG2 3.42Å; A180-V182 PolarHBondContact O-N 2.76Å; V182-P184 VanDerWaalsContact C-N 3.3Å; V182-Y185 HydrophobicContact CB-CD2 4.49Å; V182-Y185 WeakPolarHBondContact O-CB 3.49Å; V182-Y185 PolarHBondContact O-N 3.5Å; V182-N186 PolarHBondContact O-N 2.91Å; V182-F404 HydrophobicContact CG1-CB 3.66Å; V182-F404 HydrophobicContact CG1-CD1 4.18Å; V182-F404 HydrophobicContact CG1-CD2 3.92Å; V182-F404 HydrophobicContact CG1-CG 3.65Å; V182-Y408 WeakPolarHBondContact CB-OH 3.42Å
183	E	94.2	Very high	88.2	Confident	18 Å²	18	29.7 Å²	29.7	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-52.9	-38.1	177.8	-70.8	177.6	-154.5	0	0	114.2	P173 S178 T179 A180 Y185 N186 S187	P173-E183 HydrophobicContact CB-CB 4.09Å; P173-E183 WeakPolarHBondContact CB-OE2 3.17Å; S178-E183 WeakPolarHBondContact CA-OE1 3.4Å; S178-E183 WeakPolarHBondContact CB-OE1 3.45Å; S178-E183 WeakPolarHBondContact CB-OE2 3.47Å; S178-E183 PolarHBondContact OG-OE1 2.78Å; S178-E183 PolarHBondContact OG-OE2 3.02Å; S178-E183 VanDerWaalsContact OG-OE2 3.05Å; T179-E183 PolarHBondContact N-OE1 3.24Å; A180-E183 HydrophobicContact CB-CG 3.76Å; A180-E183 PolarHBondContact N-OE1 3.28Å; A180-E183 VanDerWaalsContact N-OE1 3.11Å; A180-E183 VanDerWaalsContact O-CG 3.23Å; A180-E183 WeakPolarHBondContact O-CG 3.48Å; A180-E183 PolarHBondContact O-N 3.2Å; E183-Y185 VanDerWaalsContact C-N 3.32Å; E183-Y185 PolarHBondContact O-N 3.47Å; E183-N186 PolarHBondContact O-N 3.43Å; E183-S187 WeakPolarHBondContact O-CB 3.43Å; E183-S187 PolarHBondContact O-N 3.35Å; E183-S187 PolarHBondContact O-OG 3.37Å
184	P	95.6	Very high	88.7	Confident	12 Å²	12	29.2 Å²	29.2	8%	0.078	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-39.2	175.6	-22.8	32.2	0	0	0	113.1	V181 V182 S187 I188 K394 M398	V181-P184 WeakPolarHBondContact O-CD 3.29Å; V182-P184 VanDerWaalsContact C-N 3.3Å; P184-S187 PolarHBondContact O-N 3.14Å; P184-I188 WeakPolarHBondContact O-CG1 3.45Å; P184-I188 PolarHBondContact O-N 3.37Å; P184-I188 VanDerWaalsContact O-N 3.1Å; P184-K394 HydrophobicContact CB-CB 3.95Å; P184-K394 HydrophobicContact CG-CB 3.73Å; P184-K394 HydrophobicContact CG-CD 4.14Å; P184-M398 HydrophobicContact CB-CE 3.56Å; P184-M398 HydrophobicContact CG-CE 3.59Å
185	Y	97.4	Very high	89.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-50.3	175.3	-71.9	-16.3	0	0	0	111.7	V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418	V182-Y185 HydrophobicContact CB-CD2 4.49Å; V182-Y185 WeakPolarHBondContact O-CB 3.49Å; V182-Y185 PolarHBondContact O-N 3.5Å; E183-Y185 VanDerWaalsContact C-N 3.32Å; E183-Y185 PolarHBondContact O-N 3.47Å; Y185-S187 PolarHBondContact O-N 3.45Å; Y185-I188 PolarHBondContact O-N 2.98Å; Y185-L189 WeakPolarHBondContact O-CB 3.29Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.48Å; Y185-L189 PolarHBondContact O-N 3.34Å; Y185-F395 AromaticContact CD1-CD2 3.47Å; Y185-F395 HydrophobicContact CD1-CD2 3.47Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.47Å; Y185-F395 AromaticContact CD1-CE2 3.6Å; Y185-F395 HydrophobicContact CD1-CE2 3.6Å; Y185-F395 HydrophobicContact CD1-CG 4.2Å; Y185-F395 HydrophobicContact CD1-CZ 4.43Å; Y185-F395 HydrophobicContact CE1-CD2 4.01Å; Y185-F395 HydrophobicContact CE1-CE2 4.08Å; Y185-F395 HydrophobicContact CE1-CG 4.37Å; Y185-M398 HydrophobicContact CD1-CE 3.84Å; Y185-M398 HydrophobicContact CE1-CB 3.85Å; Y185-M398 HydrophobicContact CE1-CE 3.88Å; Y185-M398 HydrophobicContact CG-CE 4.23Å; Y185-M398 WeakPolarHBondContact OH-CB 3.42Å; Y185-M398 PolarHBondContact OH-O 3.4Å; Y185-Y399 VanDerWaalsContact OH-CA 3.29Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.47Å; Y185-Y399 PolarHBondContact OH-N 3.44Å; Y185-Y399 VanDerWaalsContact OH-N 3.16Å; Y185-A403 WeakPolarHBondContact CE2-O 3.21Å; Y185-A403 PolarHBondContact OH-O 3.4Å; Y185-F404 HydrophobicContact CE2-CB 4.32Å; Y185-V405 HydrophobicContact CE2-CG2 4.31Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y408 AromaticContact CD2-CE2 3.77Å; Y185-Y408 HydrophobicContact CD2-CE2 3.77Å; Y185-Y408 AromaticContact CD2-CZ 3.97Å; Y185-F418 HydrophobicContact CD1-CD1 4.37Å; Y185-F418 AromaticContact CD1-CE1 3.99Å; Y185-F418 HydrophobicContact CD1-CE1 3.99Å; Y185-F418 AromaticContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CZ 4.36Å; Y185-F418 HydrophobicContact CE1-CE1 4.39Å; Y185-F418 HydrophobicContact CE2-CE1 4.25Å; Y185-F418 AromaticContact CG-CE1 3.7Å; Y185-F418 HydrophobicContact CG-CE1 3.7Å
186	N	97.3	Very high	90.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-38.8	179	-68.2	-24.5	0	0	0	112	N101 Y103 F141 G142 V182 E183 T190 Y408	N101-N186 PolarHBondContact O-ND2 3.45Å; Y103-N186 VanDerWaalsContact CB-OD1 3.27Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.44Å; Y103-N186 PolarHBondContact N-OD1 2.91Å; F141-N186 CarbonylContact O-C 3.53Å; F141-N186 VanDerWaalsContact O-CB 3.27Å; F141-N186 WeakPolarHBondContact O-CB 3.24Å; G142-N186 PolarHBondContact O-ND2 2.82Å; V182-N186 PolarHBondContact O-N 2.91Å; E183-N186 PolarHBondContact O-N 3.43Å; N186-T190 WeakPolarHBondContact O-CB 3.48Å; N186-T190 WeakPolarHBondContact O-CG2 3.26Å; N186-T190 PolarHBondContact O-N 3.06Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.42Å; N186-Y408 PolarHBondContact OD1-OH 2.68Å
187	S	96.3	Very high	92	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-44.7	-178.7	-53.1	0	0	0	0	112.4	F141 E183 P184 Y185 T190 T191	F141-S187 WeakPolarHBondContact CB-OG 3.33Å; F141-S187 PolarHBondContact O-N 3.32Å; E183-S187 WeakPolarHBondContact O-CB 3.43Å; E183-S187 PolarHBondContact O-N 3.35Å; E183-S187 PolarHBondContact O-OG 3.37Å; P184-S187 PolarHBondContact O-N 3.14Å; Y185-S187 PolarHBondContact O-N 3.45Å; S187-T190 WeakPolarHBondContact O-CG2 3.43Å; S187-T191 WeakPolarHBondContact O-CB 3.44Å; S187-T191 PolarHBondContact O-N 2.82Å; S187-T191 PolarHBondContact O-OG1 3.26Å
188	I	97.3	Very high	93.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-45.5	178.1	-63.9	-51.3	0	0	0	110.9	P184 Y185 T190 T191 H192 L391 D392 F395 A421 M425	P184-I188 WeakPolarHBondContact O-CG1 3.45Å; P184-I188 PolarHBondContact O-N 3.37Å; P184-I188 VanDerWaalsContact O-N 3.1Å; Y185-I188 PolarHBondContact O-N 2.98Å; I188-T190 PolarHBondContact O-N 3.41Å; I188-T191 PolarHBondContact O-N 2.9Å; I188-H192 WeakPolarHBondContact O-CB 3.2Å; I188-H192 PolarHBondContact O-N 3.26Å; I188-L391 HydrophobicContact CD1-CB 4.04Å; I188-D392 WeakPolarHBondContact CD1-OD1 3.41Å; I188-F395 HydrophobicContact CB-CD2 3.79Å; I188-F395 HydrophobicContact CB-CE2 4.05Å; I188-F395 HydrophobicContact CG1-CB 4.12Å; I188-F395 HydrophobicContact CG1-CD2 3.61Å; I188-F395 HydrophobicContact CG1-CE2 4.35Å; I188-F395 HydrophobicContact CG1-CG 4.09Å; I188-F395 HydrophobicContact CG2-CD2 4.05Å; I188-F395 HydrophobicContact CG2-CE2 3.95Å; I188-A421 HydrophobicContact CG2-CB 3.91Å; I188-M425 HydrophobicContact CD1-CE 4.35Å; I188-M425 HydrophobicContact CD1-CG 4.01Å; I188-M425 HydrophobicContact CG2-CG 3.92Å
189	L	98	Very high	94.3	Very high	3 Å²	3	29 Å²	29	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-42.8	-179.1	-66.6	171.3	0	0	0	112.8	Y103 Y185 T193 Y408 M413 F418 A421	Y103-L189 HydrophobicContact CD1-CB 3.93Å; Y103-L189 HydrophobicContact CD1-CD1 3.78Å; Y103-L189 HydrophobicContact CD1-CG 4.43Å; Y103-L189 HydrophobicContact CD2-CB 3.84Å; Y103-L189 HydrophobicContact CE1-CB 4.07Å; Y103-L189 HydrophobicContact CE2-CB 3.97Å; Y103-L189 HydrophobicContact CG-CB 3.84Å; Y103-L189 HydrophobicContact CG-CD1 3.91Å; Y185-L189 WeakPolarHBondContact O-CB 3.29Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.48Å; Y185-L189 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-N 3.39Å; L189-T193 PolarHBondContact O-OG1 3.37Å; L189-Y408 HydrophobicContact CD1-CD1 4.03Å; L189-Y408 HydrophobicContact CD1-CE1 3.95Å; L189-M413 HydrophobicContact CD1-CE 3.62Å; L189-M413 HydrophobicContact CD1-SD 3.99Å; L189-M413 HydrophobicContact CD2-CE 3.34Å; L189-M413 HydrophobicContact CG-CE 4.11Å; L189-F418 HydrophobicContact CD1-CE1 3.95Å; L189-F418 HydrophobicContact CD1-CZ 4.14Å; L189-F418 HydrophobicContact CD2-CD1 4.46Å; L189-A421 HydrophobicContact CD2-CB 3.86Å
190	T	97.8	Very high	95.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70	-40.6	177.8	-166.7	0	0	0	0	111.9	F141 S147 S151 N186 S187 I188 H192 T193 T194	F141-T190 HydrophobicContact CB-CG2 4.41Å; F141-T190 HydrophobicContact CD1-CG2 3.52Å; F141-T190 HydrophobicContact CE1-CG2 4.12Å; F141-T190 HydrophobicContact CG-CG2 4.29Å; S147-T190 PolarHBondContact O-OG1 2.97Å; S151-T190 WeakPolarHBondContact OG-CA 3.25Å; S151-T190 PolarHBondContact OG-OG1 3.4Å; N186-T190 WeakPolarHBondContact O-CB 3.48Å; N186-T190 WeakPolarHBondContact O-CG2 3.26Å; N186-T190 PolarHBondContact O-N 3.06Å; S187-T190 WeakPolarHBondContact O-CG2 3.43Å; I188-T190 PolarHBondContact O-N 3.41Å; T190-H192 PolarHBondContact O-N 2.86Å; T190-T193 PolarHBondContact O-N 3.37Å; T190-T193 PolarHBondContact O-OG1 3.24Å; T190-T193 VanDerWaalsContact O-OG1 3.11Å; T190-T194 WeakPolarHBondContact O-CB 3.47Å; T190-T194 WeakPolarHBondContact O-CG2 3.46Å; T190-T194 PolarHBondContact O-N 3.23Å; T190-T194 PolarHBondContact O-OG1 3.38Å
191	T	97	Very high	95.7	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-48.1	178.4	-54.8	0	0	0	0	110.5	S187 I188 T193 T194 L195 F267 W388 M425	S187-T191 WeakPolarHBondContact O-CB 3.44Å; S187-T191 PolarHBondContact O-N 2.82Å; S187-T191 PolarHBondContact O-OG1 3.26Å; I188-T191 PolarHBondContact O-N 2.9Å; T191-T193 PolarHBondContact O-N 2.95Å; T191-T194 PolarHBondContact O-N 2.96Å; T191-L195 VanDerWaalsContact O-CB 3.29Å; T191-L195 WeakPolarHBondContact O-CB 3.4Å; T191-L195 PolarHBondContact O-N 3.43Å; T191-F267 HydrophobicContact CG2-CZ 4.08Å; T191-W388 HydrophobicContact CG2-CH2 3.59Å; T191-W388 HydrophobicContact CG2-CZ2 4.28Å; T191-W388 HydrophobicContact CG2-CZ3 3.85Å; T191-M425 HydrophobicContact CG2-CE 3.98Å; T191-M425 HydrophobicContact CG2-SD 3.53Å; T191-M425 VanDerWaalsContact CG2-SD 3.53Å
192	H	97	Very high	95.8	Very high	37 Å²	37	18.2 Å²	18.2	17%	0.171	9%	0.092	C	C	.	.	H	α-helix	trans	-54.2	-49.4	177.3	169.5	55.4	0	0	0	112.5	I188 T190 A421 D424	I188-H192 WeakPolarHBondContact O-CB 3.2Å; I188-H192 PolarHBondContact O-N 3.26Å; T190-H192 PolarHBondContact O-N 2.86Å; H192-A421 HydrophobicContact CB-CB 3.6Å; H192-D424 IonicContact CE1-OD2 3.7Å; H192-D424 IonicContact CG-OD2 3.86Å; H192-D424 WeakPolarHBondContact ND1-CB 3.26Å; H192-D424 IonicContact ND1-OD2 3.73Å; H192-D424 PolarHBondContact ND1-OD2 3.3Å
193	T	96	Very high	95.6	Very high	25 Å²	25	17.2 Å²	17.2	15%	0.153	9%	0.085	C	C	.	.	H	α-helix	trans	-76.1	-29.1	-176.3	48.3	0	0	0	0	113.7	Y103 S151 L189 T190 T191 H197	Y103-T193 WeakPolarHBondContact OH-CG2 3.38Å; Y103-T193 PolarHBondContact OH-OG1 3Å; Y103-T193 VanDerWaalsContact OH-OG1 3.11Å; S151-T193 WeakPolarHBondContact CB-OG1 3.47Å; S151-T193 PolarHBondContact OG-OG1 2.84Å; L189-T193 PolarHBondContact O-N 3.39Å; L189-T193 PolarHBondContact O-OG1 3.37Å; T190-T193 PolarHBondContact O-N 3.37Å; T190-T193 PolarHBondContact O-OG1 3.24Å; T190-T193 VanDerWaalsContact O-OG1 3.11Å; T191-T193 PolarHBondContact O-N 2.95Å; T193-H197 PolarHBondContact O-CD2 3.32Å; T193-H197 VanDerWaalsContact O-CD2 3.28Å
194	T	96.9	Very high	95.5	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.012	8%	0.083	C	C	.	.	H	α-helix	trans	-87.7	-14.2	177.6	62.1	0	0	0	0	113.7	M154 T190 T191 E196 H197 S198	M154-T194 HydrophobicContact CB-CG2 4.22Å; M154-T194 HydrophobicContact CG-CG2 4.15Å; T190-T194 WeakPolarHBondContact O-CB 3.47Å; T190-T194 WeakPolarHBondContact O-CG2 3.46Å; T190-T194 PolarHBondContact O-N 3.23Å; T190-T194 PolarHBondContact O-OG1 3.38Å; T191-T194 PolarHBondContact O-N 2.96Å; T194-E196 VanDerWaalsContact C-N 3.26Å; T194-E196 PolarHBondContact O-N 2.84Å; T194-H197 CarbonylContact O-C 3.5Å; T194-H197 WeakPolarHBondContact O-CA 3.33Å; T194-H197 PolarHBondContact O-N 2.93Å; T194-S198 PolarHBondContact O-N 3.21Å
195	L	94.8	Very high	95.3	Very high	8 Å²	8	16.1 Å²	16.1	4%	0.042	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34	-175.2	-163.4	65.8	0	0	0	113.4	T191 H197 R264 H266 F267 L428	T191-L195 VanDerWaalsContact O-CB 3.29Å; T191-L195 WeakPolarHBondContact O-CB 3.4Å; T191-L195 PolarHBondContact O-N 3.43Å; L195-H197 VanDerWaalsContact C-N 3.35Å; L195-R264 VanDerWaalsContact CD2-NH1 3.35Å; L195-H266 PolarHBondContact O-CE1 2.85Å; L195-F267 HydrophobicContact CD1-CE2 3.65Å; L195-F267 HydrophobicContact CD1-CZ 3.75Å; L195-L428 HydrophobicContact CD1-CD2 4.42Å
196	E	93.6	Very high	94.8	Very high	169 Å²	169	17 Å²	17	79%	0.79	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.4	177.2	-60.2	-167	160.7	0	0	113.4	T194	T194-E196 VanDerWaalsContact C-N 3.26Å; T194-E196 PolarHBondContact O-N 2.84Å
197	H	96	Very high	94.5	Very high	43 Å²	43	19 Å²	19	20%	0.199	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-11.4	-171.4	-61.9	-31.4	0	0	0	113.1	M154 E155 S158 K166 T193 T194 L195	M154-H197 HydrophobicContact CB-CB 3.98Å; M154-H197 HydrophobicContact CE-CB 4.4Å; M154-H197 VanDerWaalsContact CE-O 3.26Å; M154-H197 WeakPolarHBondContact CE-O 3.4Å; E155-H197 WeakPolarHBondContact CG-NE2 3.3Å; S158-H197 WeakPolarHBondContact OG-CB 3.43Å; S158-H197 PolarHBondContact OG-ND1 3.18Å; K166-H197 WeakPolarHBondContact CD-O 3.34Å; K166-H197 WeakPolarHBondContact CE-O 3.35Å; T193-H197 PolarHBondContact O-CD2 3.32Å; T193-H197 VanDerWaalsContact O-CD2 3.28Å; T194-H197 CarbonylContact O-C 3.5Å; T194-H197 WeakPolarHBondContact O-CA 3.33Å; T194-H197 PolarHBondContact O-N 2.93Å; L195-H197 VanDerWaalsContact C-N 3.35Å
198	S	95.1	Very high	94.3	Very high	8 Å²	8	19.3 Å²	19.3	6%	0.056	10%	0.097	C	C	.	.			trans	-99.1	136.3	176.1	-163	0	0	0	0	111.1	E168 T194 H266	E168-S198 WeakPolarHBondContact OE2-CB 3.35Å; E168-S198 PolarHBondContact OE2-OG 3.37Å; T194-S198 PolarHBondContact O-N 3.21Å; S198-H266 PolarHBondContact O-CE1 3.04Å; S198-H266 VanDerWaalsContact O-CE1 3.27Å; S198-H266 PolarHBondContact O-ND1 2.99Å
199	D	94	Very high	94	Very high	33 Å²	33	19.3 Å²	19.3	18%	0.176	10%	0.097	C	C	.	.	S	Bend	trans	-88.4	-29.7	174.6	-65	-74.3	0	0	0	111.5	S165 K166 Q256	S165-D199 VanDerWaalsContact CA-OD2 3.22Å; S165-D199 WeakPolarHBondContact CA-OD2 3.36Å; K166-D199 PolarHBondContact N-OD2 3.07Å; K166-D199 IonicContact NZ-OD2 3.67Å; K166-D199 WeakPolarHBondContact O-CB 2.93Å; K166-D199 PolarHBondContact O-N 2.87Å; D199-Q256 PolarHBondContact OD1-NE2 3.27Å; D199-Q256 VanDerWaalsContact OD1-NE2 3.17Å
200	C	93.4	Very high	93.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	125.4	178.4	-174	0	0	0	0	111.1	L167 E168 V260 H266 P268	L167-C200 CarbonylContact C-O 3.41Å; L167-C200 WeakPolarHBondContact CA-O 3.28Å; L167-C200 HydrophobicContact CG-CB 4.27Å; E168-C200 PolarHBondContact N-O 2.99Å; C200-V260 HydrophobicContact CB-CG2 4.19Å; C200-H266 WeakPolarHBondContact CA-O 3.32Å; C200-P268 VanDerWaalsContact SG-CD 3.51Å; C200-P268 WeakPolarHBondContact SG-CG 3.44Å
201	A	94.9	Very high	93.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.8	-177.7	0	0	0	0	0	111.7	E168 M203 H266 F267	E168-A201 HydrophobicContact CB-CB 3.93Å; A201-M203 PolarHBondContact O-N 2.64Å; A201-H266 PolarHBondContact N-O 2.76Å; A201-F267 HydrophobicContact CB-CD1 3.64Å; A201-F267 HydrophobicContact CB-CE1 3.66Å; A201-F267 WeakPolarHBondContact O-CA 3.06Å
202	F	93.8	Very high	93.3	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	107.9	174.4	-58.9	-69.3	0	0	0	109.8	L167 E168 F169 S170 I238 F255 L259 P268 L378	L167-F202 HydrophobicContact CD2-CE2 4Å; E168-F202 PolarHBondContact O-N 2.82Å; F169-F202 HydrophobicContact CD1-CB 3.92Å; F169-F202 AromaticContact CD1-CD2 3.98Å; F169-F202 HydrophobicContact CD1-CD2 3.98Å; F169-F202 HydrophobicContact CD1-CG 4.34Å; F169-F202 HydrophobicContact CE1-CB 4.15Å; F169-F202 AromaticContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CE2 4.25Å; F169-F202 HydrophobicContact CE1-CG 4.09Å; F169-F202 HydrophobicContact CE2-CD2 4.46Å; F169-F202 AromaticContact CZ-CD2 3.81Å; F169-F202 HydrophobicContact CZ-CD2 3.81Å; F169-F202 HydrophobicContact CZ-CE2 4.18Å; S170-F202 PolarHBondContact N-O 3.13Å; F202-I238 HydrophobicContact CE2-CG2 4.02Å; F202-I238 HydrophobicContact CG-CD1 4.49Å; F202-I238 HydrophobicContact CZ-CG2 4.12Å; F202-F255 HydrophobicContact CZ-CD1 4.27Å; F202-L259 HydrophobicContact CE1-CD1 4.24Å; F202-P268 HydrophobicContact CD1-CB 4.14Å; F202-P268 HydrophobicContact CD1-CG 4.32Å; F202-P268 HydrophobicContact CE1-CB 4.02Å; F202-P268 HydrophobicContact CE1-CG 3.99Å; F202-L378 HydrophobicContact CD1-CD2 3.94Å; F202-L378 HydrophobicContact CE1-CD1 3.79Å; F202-L378 HydrophobicContact CE1-CD2 3.73Å; F202-L378 HydrophobicContact CE1-CG 4.24Å; F202-L378 HydrophobicContact CZ-CD1 4.05Å
203	M	91.8	Very high	93	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.6	174.6	-69.1	-159.2	-67.3	0	0	111.4	F141 Y172 A201 F267 V303 I384 W388	F141-M203 HydrophobicContact CE2-CG 4.24Å; F141-M203 HydrophobicContact CE2-SD 3.87Å; F141-M203 HydrophobicContact CZ-SD 4.45Å; Y172-M203 HydrophobicContact CD2-SD 4.24Å; A201-M203 PolarHBondContact O-N 2.64Å; M203-F267 HydrophobicContact CE-CB 4.26Å; M203-F267 HydrophobicContact CG-CD1 4.1Å; M203-F267 HydrophobicContact SD-CD1 4.34Å; M203-V303 HydrophobicContact CB-CG2 3.82Å; M203-V303 WeakPolarHBondContact O-CG2 3.42Å; M203-I384 HydrophobicContact CE-CD1 3.22Å; M203-I384 HydrophobicContact CE-CG1 3.37Å; M203-W388 HydrophobicContact CE-CH2 4.43Å; M203-W388 HydrophobicContact CE-CZ2 3.7Å; M203-W388 HydrophobicContact SD-CH2 3.59Å; M203-W388 VanDerWaalsContact SD-CH2 3.59Å; M203-W388 HydrophobicContact SD-CZ2 3.41Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.38Å; M203-W388 HydrophobicContact SD-CZ3 4.38Å
204	V	91.1	Very high	92.9	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.03	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	103.3	-178.5	178.3	0	0	0	0	108.5	S170 I171 Y172 I209 I231	S170-V204 PolarHBondContact O-N 3.32Å; I171-V204 CarbonylContact C-O 3.58Å; I171-V204 WeakPolarHBondContact CA-O 3.34Å; I171-V204 HydrophobicContact CD1-CB 3.69Å; I171-V204 HydrophobicContact CD1-CG1 3.83Å; I171-V204 HydrophobicContact CD1-CG2 4.44Å; Y172-V204 PolarHBondContact N-O 3.25Å; V204-I209 HydrophobicContact CG1-CD1 3.16Å; V204-I209 HydrophobicContact CG1-CG1 4.37Å; V204-I231 HydrophobicContact CG1-CD1 3.93Å; V204-I231 HydrophobicContact CG1-CG1 3.9Å
205	D	91.7	Very high	92.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.011	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	117.8	-179.6	-174.4	-8.5	0	0	0	110.5	Y172 E207 A208 I209 M302 V303 K304	Y172-D205 HydrophobicContact CD1-CB 4.19Å; D205-E207 PolarHBondContact O-N 2.77Å; D205-E207 VanDerWaalsContact OD1-CB 3.31Å; D205-E207 WeakPolarHBondContact OD1-CB 3.2Å; D205-E207 PolarHBondContact OD1-N 2.72Å; D205-A208 HydrophobicContact CB-CB 3.96Å; D205-A208 PolarHBondContact O-N 3.21Å; D205-I209 PolarHBondContact O-N 2.85Å; D205-I209 VanDerWaalsContact O-N 3.13Å; D205-M302 WeakPolarHBondContact CA-O 3.3Å; D205-M302 WeakPolarHBondContact CB-O 3.4Å; D205-M302 PolarHBondContact N-O 2.88Å; D205-V303 HydrophobicContact CB-CB 4.34Å; D205-V303 HydrophobicContact CB-CG1 4.37Å; D205-V303 HydrophobicContact CB-CG2 4.38Å; D205-K304 PolarHBondContact OD2-N 2.92Å
206	N	87.6	Confident	92.5	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-33	176.2	-85.5	-31.4	0	0	0	112.7	I171 Y172 A174 V177 Y210	I171-N206 WeakPolarHBondContact CG2-ND2 3.41Å; Y172-N206 PolarHBondContact O-N 2.86Å; A174-N206 HydrophobicContact CB-CB 3.73Å; V177-N206 HydrophobicContact CG2-CB 3.52Å; N206-Y210 WeakPolarHBondContact O-CB 3.24Å; N206-Y210 PolarHBondContact O-N 2.82Å
207	E	90	Very high	92.3	Very high	42 Å²	42	27.6 Å²	27.6	20%	0.196	12%	0.122	C	C	.	.	H	α-helix	trans	-68.6	-42.2	179.4	-156.8	179.8	152.4	0	0	111	A174 Q176 D205 Y210 D211 K304	A174-E207 HydrophobicContact CB-CB 3.61Å; A174-E207 HydrophobicContact CB-CG 4.45Å; A174-E207 VanDerWaalsContact CB-N 3.33Å; Q176-E207 PolarHBondContact NE2-OE1 2.98Å; Q176-E207 VanDerWaalsContact OE1-CD 3.26Å; Q176-E207 PolarHBondContact OE1-OE2 3.39Å; D205-E207 PolarHBondContact O-N 2.77Å; D205-E207 VanDerWaalsContact OD1-CB 3.31Å; D205-E207 WeakPolarHBondContact OD1-CB 3.2Å; D205-E207 PolarHBondContact OD1-N 2.72Å; E207-Y210 PolarHBondContact O-N 3.4Å; E207-D211 PolarHBondContact O-N 3.48Å; E207-K304 HydrophobicContact CB-CD 4.21Å; E207-K304 VanDerWaalsContact CD-NZ 3.29Å; E207-K304 HydrophobicContact CG-CD 4.11Å; E207-K304 IonicContact OE1-NZ 3.61Å; E207-K304 PolarHBondContact OE1-NZ 2.95Å
208	A	91.9	Very high	92.1	Very high	6 Å²	6	29.4 Å²	29.4	5%	0.05	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-45.8	179.1	0	0	0	0	0	111	D205 D211 I212 Q301 K304	D205-A208 HydrophobicContact CB-CB 3.96Å; D205-A208 PolarHBondContact O-N 3.21Å; A208-D211 PolarHBondContact O-N 3.17Å; A208-I212 VanDerWaalsContact O-CG1 3.29Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å; A208-I212 PolarHBondContact O-N 3.44Å; A208-Q301 WeakPolarHBondContact CB-O 3.48Å; A208-K304 HydrophobicContact CB-CG 4.07Å
209	I	92.1	Very high	91.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-40.2	177.7	-63.5	165.7	0	0	0	111.3	V204 D205 D211 I212 C213 L227 L230 I231 M302	V204-I209 HydrophobicContact CG1-CD1 3.16Å; V204-I209 HydrophobicContact CG1-CG1 4.37Å; D205-I209 PolarHBondContact O-N 2.85Å; D205-I209 VanDerWaalsContact O-N 3.13Å; I209-D211 VanDerWaalsContact C-N 3.3Å; I209-D211 PolarHBondContact O-N 3.38Å; I209-I212 PolarHBondContact O-N 3.03Å; I209-C213 WeakPolarHBondContact O-CB 3.4Å; I209-C213 PolarHBondContact O-N 2.91Å; I209-C213 PolarHBondContact O-SG 2.92Å; I209-C213 VanDerWaalsContact O-SG 3.37Å; I209-L227 HydrophobicContact CB-CD2 4.33Å; I209-L227 HydrophobicContact CG2-CB 4.01Å; I209-L227 HydrophobicContact CG2-CD2 3.64Å; I209-L227 HydrophobicContact CG2-CG 4.38Å; I209-L230 HydrophobicContact CG2-CB 4.26Å; I209-L230 HydrophobicContact CG2-CD2 3.71Å; I209-L230 HydrophobicContact CG2-CG 4.46Å; I209-I231 HydrophobicContact CD1-CD1 3.69Å; I209-I231 HydrophobicContact CD1-CG1 3.37Å; I209-M302 HydrophobicContact CG1-SD 3.91Å
210	Y	91.4	Very high	91.6	Very high	53 Å²	53	36.8 Å²	36.8	21%	0.208	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-44.8	175.7	-170.1	-81.3	0	0	0	111.3	V177 N206 E207 C213 R214 P222 L227	V177-Y210 HydrophobicContact CG1-CD2 4.02Å; V177-Y210 HydrophobicContact CG1-CE2 4.4Å; N206-Y210 WeakPolarHBondContact O-CB 3.24Å; N206-Y210 PolarHBondContact O-N 2.82Å; E207-Y210 PolarHBondContact O-N 3.4Å; Y210-C213 PolarHBondContact O-N 2.8Å; Y210-R214 WeakPolarHBondContact O-CB 3.25Å; Y210-R214 PolarHBondContact O-N 2.79Å; Y210-P222 HydrophobicContact CD1-CG 4.46Å; Y210-P222 HydrophobicContact CD2-CB 3.88Å; Y210-P222 HydrophobicContact CD2-CG 4.05Å; Y210-P222 HydrophobicContact CE1-CG 4.4Å; Y210-P222 HydrophobicContact CE2-CB 3.94Å; Y210-P222 HydrophobicContact CE2-CG 4Å; Y210-P222 HydrophobicContact CG-CB 4.5Å; Y210-P222 HydrophobicContact CG-CG 4.29Å; Y210-P222 VanDerWaalsContact CZ-CD 3.49Å; Y210-L227 HydrophobicContact CD2-CD2 4.42Å
211	D	92.3	Very high	91.4	Very high	45 Å²	45	46.5 Å²	46.5	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-40.1	177	-79.3	-11.6	0	0	0	112.6	E207 A208 I209 R214 R215 K304	E207-D211 PolarHBondContact O-N 3.48Å; A208-D211 PolarHBondContact O-N 3.17Å; I209-D211 VanDerWaalsContact C-N 3.3Å; I209-D211 PolarHBondContact O-N 3.38Å; D211-R214 PolarHBondContact O-N 2.88Å; D211-R215 WeakPolarHBondContact O-CB 3.22Å; D211-R215 PolarHBondContact O-N 2.86Å; D211-K304 WeakPolarHBondContact OD2-CE 3.48Å; D211-K304 IonicContact OD2-NZ 2.82Å; D211-K304 PolarHBondContact OD2-NZ 3.18Å
212	I	93.2	Very high	91.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-47.8	175.1	-69.9	165.3	0	0	0	110.4	A208 I209 R214 R215 N216 L230 V275 A299 M302	A208-I212 VanDerWaalsContact O-CG1 3.29Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å; A208-I212 PolarHBondContact O-N 3.44Å; I209-I212 PolarHBondContact O-N 3.03Å; I212-R214 VanDerWaalsContact C-N 3.29Å; I212-R214 PolarHBondContact O-N 2.8Å; I212-R215 PolarHBondContact O-N 3.44Å; I212-N216 HydrophobicContact CG2-CB 4.48Å; I212-N216 VanDerWaalsContact O-CB 3.3Å; I212-N216 WeakPolarHBondContact O-CB 3.2Å; I212-N216 PolarHBondContact O-N 3.4Å; I212-L230 HydrophobicContact CB-CD2 4.27Å; I212-L230 HydrophobicContact CG2-CD2 3.73Å; I212-V275 HydrophobicContact CG2-CB 4.18Å; I212-V275 HydrophobicContact CG2-CG1 3.73Å; I212-V275 HydrophobicContact CG2-CG2 4.13Å; I212-A299 WeakPolarHBondContact CG1-O 3.28Å; I212-M302 HydrophobicContact CD1-CE 4.01Å; I212-M302 HydrophobicContact CD1-SD 4Å
213	C	92.2	Very high	91.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-42.1	177.2	-71.7	0	0	0	0	111.5	I209 Y210 L217 D218 I219 P222	I209-C213 WeakPolarHBondContact O-CB 3.4Å; I209-C213 PolarHBondContact O-N 2.91Å; I209-C213 PolarHBondContact O-SG 2.92Å; I209-C213 VanDerWaalsContact O-SG 3.37Å; Y210-C213 PolarHBondContact O-N 2.8Å; C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 CarbonylContact O-C 3.53Å; C213-L217 WeakPolarHBondContact O-CA 3.24Å; C213-L217 VanDerWaalsContact O-CB 3.25Å; C213-L217 WeakPolarHBondContact O-CB 3.38Å; C213-L217 PolarHBondContact O-N 3.5Å; C213-D218 PolarHBondContact O-N 2.86Å; C213-I219 PolarHBondContact O-N 2.86Å; C213-P222 HydrophobicContact CB-CB 3.88Å; C213-P222 HydrophobicContact CB-CG 3.55Å
214	R	92.4	Very high	91.1	Very high	151 Å²	151	55 Å²	55	57%	0.57	25%	0.246	S	C	*	.	H	α-helix	trans	-69.9	-40.8	-179.7	-173.4	177	172.8	-165.1	-0.9	113.1	Y210 D211 I212 I219	Y210-R214 WeakPolarHBondContact O-CB 3.25Å; Y210-R214 PolarHBondContact O-N 2.79Å; D211-R214 PolarHBondContact O-N 2.88Å; I212-R214 VanDerWaalsContact C-N 3.29Å; I212-R214 PolarHBondContact O-N 2.8Å; R214-I219 VanDerWaalsContact CA-O 3.29Å; R214-I219 WeakPolarHBondContact CA-O 3.26Å
215	R	92.6	Very high	91.1	Very high	122 Å²	122	58.6 Å²	58.6	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-82.3	-44.1	-174.8	-168.4	-167.9	-47.8	125.7	2	112.8	D211 I212 A299	D211-R215 WeakPolarHBondContact O-CB 3.22Å; D211-R215 PolarHBondContact O-N 2.86Å; I212-R215 PolarHBondContact O-N 3.44Å; R215-A299 PolarHBondContact NH1-O 3.13Å
216	N	90.9	Very high	91.1	Very high	36 Å²	36	59.5 Å²	59.5	19%	0.193	27%	0.273	C	S	.	.	H	α-helix	trans	-97.9	-30.1	-169.5	-66.5	46.3	0	0	0	112.7	I212 V275 S277	I212-N216 HydrophobicContact CG2-CB 4.48Å; I212-N216 VanDerWaalsContact O-CB 3.3Å; I212-N216 WeakPolarHBondContact O-CB 3.2Å; I212-N216 PolarHBondContact O-N 3.4Å; N216-V275 HydrophobicContact CB-CB 4.21Å; N216-V275 HydrophobicContact CB-CG1 3.82Å; N216-V275 WeakPolarHBondContact CB-O 3.35Å; N216-V275 PolarHBondContact ND2-O 2.51Å; N216-S277 PolarHBondContact O-N 2.85Å
217	L	90	Very high	91.3	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.052	27%	0.268	C	S	.	.	S	Bend	trans	-100.3	-2.3	179.7	-49.3	177.9	0	0	0	113	C213 I219 V275 D367 L368	C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 CarbonylContact O-C 3.53Å; C213-L217 WeakPolarHBondContact O-CA 3.24Å; C213-L217 VanDerWaalsContact O-CB 3.25Å; C213-L217 WeakPolarHBondContact O-CB 3.38Å; C213-L217 PolarHBondContact O-N 3.5Å; L217-I219 HydrophobicContact CB-CD1 3.83Å; L217-I219 HydrophobicContact CB-CG1 3.87Å; L217-I219 HydrophobicContact CD1-CD1 4.13Å; L217-I219 PolarHBondContact O-N 2.75Å; L217-V275 HydrophobicContact CD2-CG1 3.67Å; L217-V275 HydrophobicContact CG-CG1 4.05Å; L217-D367 HydrophobicContact CD1-CB 4.04Å; L217-L368 HydrophobicContact CD2-CD2 3.69Å; L217-L368 HydrophobicContact CD2-CG 4.47Å
218	D	90.9	Very high	91.6	Very high	80 Å²	80	57.3 Å²	57.3	43%	0.428	26%	0.262	S	S	.	.			trans	57	29.6	-177.5	-49.7	-71.8	0	0	0	113.9	C213 K280	C213-D218 PolarHBondContact O-N 2.86Å; D218-K280 IonicContact OD1-NZ 3.88Å; D218-K280 PolarHBondContact OD1-NZ 2.9Å; D218-K280 WeakPolarHBondContact OD2-CE 3.42Å; D218-K280 IonicContact OD2-NZ 2.75Å; D218-K280 PolarHBondContact OD2-NZ 3.18Å
219	I	90.7	Very high	91.6	Very high	30 Å²	30	59.6 Å²	59.6	15%	0.154	27%	0.27	C	S	.	.			trans	-89.1	110.6	178.8	-55.4	172.7	0	0	0	109	C213 R214 L217 R221 P222 N226 D367	C213-I219 PolarHBondContact O-N 2.86Å; R214-I219 VanDerWaalsContact CA-O 3.29Å; R214-I219 WeakPolarHBondContact CA-O 3.26Å; L217-I219 HydrophobicContact CB-CD1 3.83Å; L217-I219 HydrophobicContact CB-CG1 3.87Å; L217-I219 HydrophobicContact CD1-CD1 4.13Å; L217-I219 PolarHBondContact O-N 2.75Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.44Å; I219-P222 HydrophobicContact CB-CG 4.28Å; I219-P222 HydrophobicContact CG2-CB 4.44Å; I219-P222 HydrophobicContact CG2-CG 4.1Å; I219-P222 WeakPolarHBondContact O-CD 3.48Å; I219-N226 HydrophobicContact CD1-CB 4.13Å; I219-D367 HydrophobicContact CD1-CB 4Å
220	E	89.3	Confident	91.7	Very high	166 Å²	166	59.7 Å²	59.7	78%	0.776	27%	0.27	S	S	*	.	S	Bend	trans	-61.2	-39.4	-177.5	-67.9	-171.4	168.7	0	0	113.6
221	R	89.5	Confident	91.9	Very high	205 Å²	205	57.4 Å²	57.4	77%	0.774	26%	0.261	S	S	*	.	S	Bend	trans	-134	82.1	-179.2	-65.1	-175.6	-177.6	-173.4	-0.2	110.7	I219 T223	I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.44Å; R221-T223 PolarHBondContact O-N 2.9Å
222	P	90.8	Very high	92	Very high	14 Å²	14	55.2 Å²	55.2	9%	0.091	25%	0.25	C	C	.	.			trans	-54.3	132.2	175.2	-26.8	34.2	0	0	0	112.4	Y210 C213 I219 L227	Y210-P222 HydrophobicContact CD1-CG 4.46Å; Y210-P222 HydrophobicContact CD2-CB 3.88Å; Y210-P222 HydrophobicContact CD2-CG 4.05Å; Y210-P222 HydrophobicContact CE1-CG 4.4Å; Y210-P222 HydrophobicContact CE2-CB 3.94Å; Y210-P222 HydrophobicContact CE2-CG 4Å; Y210-P222 HydrophobicContact CG-CB 4.5Å; Y210-P222 HydrophobicContact CG-CG 4.29Å; Y210-P222 VanDerWaalsContact CZ-CD 3.49Å; C213-P222 HydrophobicContact CB-CB 3.88Å; C213-P222 HydrophobicContact CB-CG 3.55Å; I219-P222 HydrophobicContact CB-CG 4.28Å; I219-P222 HydrophobicContact CG2-CB 4.44Å; I219-P222 HydrophobicContact CG2-CG 4.1Å; I219-P222 WeakPolarHBondContact O-CD 3.48Å; P222-L227 HydrophobicContact CB-CD2 3.89Å
223	T	91.8	Very high	92.1	Very high	74 Å²	74	55.3 Å²	55.3	45%	0.454	25%	0.25	S	S	.	.			trans	-96.3	165.7	172.3	67.8	0	0	0	0	110.5	R221 T225 N226 L227	R221-T223 PolarHBondContact O-N 2.9Å; T223-T225 PolarHBondContact O-N 3.02Å; T223-T225 VanDerWaalsContact O-N 3.14Å; T223-T225 PolarHBondContact OG1-N 2.77Å; T223-N226 PolarHBondContact N-OD1 3.37Å; T223-N226 WeakPolarHBondContact O-CB 3.42Å; T223-N226 PolarHBondContact O-N 2.82Å; T223-N226 PolarHBondContact OG1-OD1 2.75Å; T223-L227 WeakPolarHBondContact O-CG 3.31Å; T223-L227 PolarHBondContact O-N 3.26Å
224	Y	89.8	Confident	92.1	Very high	92 Å²	92	55.6 Å²	55.6	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-55.2	-31.6	173.9	-72.8	-63.3	0	0	0	113	V177 N226 L227 N228	V177-Y224 PolarHBondContact O-OH 2.83Å; Y224-N226 VanDerWaalsContact C-N 3.33Å; Y224-N226 PolarHBondContact O-N 3.17Å; Y224-L227 HydrophobicContact CD1-CD1 4.18Å; Y224-L227 PolarHBondContact O-N 3.37Å; Y224-N228 WeakPolarHBondContact O-CB 3.22Å; Y224-N228 PolarHBondContact O-N 3.48Å; Y224-N228 PolarHBondContact O-ND2 3.37Å; Y224-N228 PolarHBondContact O-OD1 2.83Å
225	T	92.3	Very high	92.2	Very high	81 Å²	81	48.5 Å²	48.5	50%	0.497	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-40.7	173.7	-53.2	0	0	0	0	112.1	T223 R229	T223-T225 PolarHBondContact O-N 3.02Å; T223-T225 VanDerWaalsContact O-N 3.14Å; T223-T225 PolarHBondContact OG1-N 2.77Å; T225-R229 WeakPolarHBondContact O-CB 3.39Å; T225-R229 VanDerWaalsContact O-CG 3.28Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.88Å; T225-R229 VanDerWaalsContact O-N 3.12Å
226	N	91.8	Very high	92.3	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.112	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-45.8	177.3	-53	114.9	0	0	0	110.8	I219 T223 Y224 R229 L230 D367	I219-N226 HydrophobicContact CD1-CB 4.13Å; T223-N226 PolarHBondContact N-OD1 3.37Å; T223-N226 WeakPolarHBondContact O-CB 3.42Å; T223-N226 PolarHBondContact O-N 2.82Å; T223-N226 PolarHBondContact OG1-OD1 2.75Å; Y224-N226 VanDerWaalsContact C-N 3.33Å; Y224-N226 PolarHBondContact O-N 3.17Å; N226-R229 PolarHBondContact O-N 2.9Å; N226-L230 PolarHBondContact O-N 3.13Å; N226-D367 PolarHBondContact ND2-OD1 3.11Å; N226-D367 PolarHBondContact ND2-OD2 3.37Å
227	L	92.4	Very high	92.4	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-50.6	178.5	-52.8	-179.5	0	0	0	110.6	I209 Y210 P222 T223 Y224 R229 L230 I231	I209-L227 HydrophobicContact CB-CD2 4.33Å; I209-L227 HydrophobicContact CG2-CB 4.01Å; I209-L227 HydrophobicContact CG2-CD2 3.64Å; I209-L227 HydrophobicContact CG2-CG 4.38Å; Y210-L227 HydrophobicContact CD2-CD2 4.42Å; P222-L227 HydrophobicContact CB-CD2 3.89Å; T223-L227 WeakPolarHBondContact O-CG 3.31Å; T223-L227 PolarHBondContact O-N 3.26Å; Y224-L227 HydrophobicContact CD1-CD1 4.18Å; Y224-L227 PolarHBondContact O-N 3.37Å; L227-R229 VanDerWaalsContact C-N 3.3Å; L227-R229 PolarHBondContact O-N 3.34Å; L227-L230 PolarHBondContact O-N 2.83Å; L227-I231 WeakPolarHBondContact O-CG1 3.29Å; L227-I231 PolarHBondContact O-N 3.21Å
228	N	94.4	Very high	92.4	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-32.6	-176.8	-66.8	-12.6	0	0	0	112.6	Q15 I16 A19 Y224 I231 S232	Q15-N228 WeakPolarHBondContact CB-ND2 3.32Å; I16-N228 HydrophobicContact CG1-CB 4.44Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.45Å; A19-N228 HydrophobicContact CB-CB 4.13Å; Y224-N228 WeakPolarHBondContact O-CB 3.22Å; Y224-N228 PolarHBondContact O-N 3.48Å; Y224-N228 PolarHBondContact O-ND2 3.37Å; Y224-N228 PolarHBondContact O-OD1 2.83Å; N228-I231 PolarHBondContact O-N 3.25Å; N228-S232 WeakPolarHBondContact O-CB 3.15Å; N228-S232 PolarHBondContact O-N 3Å; N228-S232 PolarHBondContact O-OG 3.45Å
229	R	93.9	Very high	92.3	Very high	55 Å²	55	37.2 Å²	37.2	21%	0.208	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-39.4	172.9	-78.7	175.6	173.5	176.4	-7	111.7	T225 N226 L227 S232 Q233 G365	T225-R229 WeakPolarHBondContact O-CB 3.39Å; T225-R229 VanDerWaalsContact O-CG 3.28Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.88Å; T225-R229 VanDerWaalsContact O-N 3.12Å; N226-R229 PolarHBondContact O-N 2.9Å; L227-R229 VanDerWaalsContact C-N 3.3Å; L227-R229 PolarHBondContact O-N 3.34Å; R229-S232 WeakPolarHBondContact CA-OG 3.4Å; R229-S232 PolarHBondContact O-N 2.67Å; R229-S232 PolarHBondContact O-OG 3.13Å; R229-Q233 WeakPolarHBondContact O-CG 3.29Å; R229-Q233 PolarHBondContact O-N 3.13Å; R229-G365 PolarHBondContact NH1-O 3.35Å
230	L	93.8	Very high	92.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-44.7	173.8	-174	63.7	0	0	0	111.1	I209 I212 N226 L227 S232 Q233 I234 V275 L368	I209-L230 HydrophobicContact CG2-CB 4.26Å; I209-L230 HydrophobicContact CG2-CD2 3.71Å; I209-L230 HydrophobicContact CG2-CG 4.46Å; I212-L230 HydrophobicContact CB-CD2 4.27Å; I212-L230 HydrophobicContact CG2-CD2 3.73Å; N226-L230 PolarHBondContact O-N 3.13Å; L227-L230 PolarHBondContact O-N 2.83Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 2.82Å; L230-Q233 WeakPolarHBondContact O-CB 3.21Å; L230-Q233 PolarHBondContact O-N 3.2Å; L230-Q233 VanDerWaalsContact O-N 3.12Å; L230-I234 HydrophobicContact CG-CD1 4.32Å; L230-I234 WeakPolarHBondContact O-CD1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.1Å; L230-I234 PolarHBondContact O-N 3.42Å; L230-V275 HydrophobicContact CD1-CG1 4.32Å; L230-V275 HydrophobicContact CD1-CG2 4.05Å; L230-L368 HydrophobicContact CD1-CD1 4.24Å
231	I	94.6	Very high	92	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-55.5	-47.2	174.7	-63.8	170.3	0	0	0	110.3	I16 I171 V204 I209 L227 N228 Q233 I234 V235	I16-I231 HydrophobicContact CD1-CD1 4.08Å; I16-I231 HydrophobicContact CD1-CG2 4.4Å; I16-I231 HydrophobicContact CG1-CD1 4.31Å; I16-I231 HydrophobicContact CG1-CG2 4.43Å; I16-I231 HydrophobicContact CG2-CG2 3.8Å; I171-I231 HydrophobicContact CD1-CD1 4.16Å; V204-I231 HydrophobicContact CG1-CD1 3.93Å; V204-I231 HydrophobicContact CG1-CG1 3.9Å; I209-I231 HydrophobicContact CD1-CD1 3.69Å; I209-I231 HydrophobicContact CD1-CG1 3.37Å; L227-I231 WeakPolarHBondContact O-CG1 3.29Å; L227-I231 PolarHBondContact O-N 3.21Å; N228-I231 PolarHBondContact O-N 3.25Å; I231-Q233 PolarHBondContact O-N 3.19Å; I231-I234 WeakPolarHBondContact O-CB 3.42Å; I231-I234 PolarHBondContact O-N 2.85Å; I231-V235 HydrophobicContact CG2-CG2 3.94Å; I231-V235 VanDerWaalsContact O-CG2 3.32Å; I231-V235 WeakPolarHBondContact O-CG2 3.43Å; I231-V235 PolarHBondContact O-N 2.84Å
232	S	95.4	Very high	91.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-32.9	179.8	71.3	0	0	0	0	113.4	L23 N228 R229 L230 S236	L23-S232 WeakPolarHBondContact CD2-O 3.35Å; N228-S232 WeakPolarHBondContact O-CB 3.15Å; N228-S232 PolarHBondContact O-N 3Å; N228-S232 PolarHBondContact O-OG 3.45Å; R229-S232 WeakPolarHBondContact CA-OG 3.4Å; R229-S232 PolarHBondContact O-N 2.67Å; R229-S232 PolarHBondContact O-OG 3.13Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 2.82Å; S232-S236 WeakPolarHBondContact O-CB 3.41Å; S232-S236 PolarHBondContact O-N 2.94Å
233	Q	94.6	Very high	91.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-68.7	-37.5	176.8	-71.4	-67.3	-20.7	0	0	112	L23 R229 L230 I231 S237 T361 L368	L23-Q233 HydrophobicContact CD2-CG 4.32Å; R229-Q233 WeakPolarHBondContact O-CG 3.29Å; R229-Q233 PolarHBondContact O-N 3.13Å; L230-Q233 WeakPolarHBondContact O-CB 3.21Å; L230-Q233 PolarHBondContact O-N 3.2Å; L230-Q233 VanDerWaalsContact O-N 3.12Å; I231-Q233 PolarHBondContact O-N 3.19Å; Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 3.4Å; Q233-S237 PolarHBondContact O-OG 3.11Å; Q233-T361 PolarHBondContact NE2-O 3.01Å; Q233-T361 PolarHBondContact OE1-O 2.84Å; Q233-L368 HydrophobicContact CG-CD1 3.65Å
234	I	92.9	Very high	91.1	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-70	-51.5	177.9	-58.5	157.3	0	0	0	109.3	L230 I231 S236 S237 I238 A270 Y272 M302	L230-I234 HydrophobicContact CG-CD1 4.32Å; L230-I234 WeakPolarHBondContact O-CD1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.1Å; L230-I234 PolarHBondContact O-N 3.42Å; I231-I234 WeakPolarHBondContact O-CB 3.42Å; I231-I234 PolarHBondContact O-N 2.85Å; I234-S236 PolarHBondContact O-N 2.87Å; I234-S237 WeakPolarHBondContact O-CA 3.42Å; I234-S237 WeakPolarHBondContact O-CB 3.17Å; I234-S237 PolarHBondContact O-N 3.45Å; I234-I238 HydrophobicContact CG2-CD1 3.87Å; I234-I238 WeakPolarHBondContact O-CG1 3.26Å; I234-I238 PolarHBondContact O-N 2.89Å; I234-A270 HydrophobicContact CG2-CB 4.12Å; I234-Y272 HydrophobicContact CG1-CD2 4.43Å; I234-Y272 HydrophobicContact CG1-CG 4.15Å; I234-M302 HydrophobicContact CD1-CE 3.3Å; I234-M302 HydrophobicContact CD1-CG 3.85Å; I234-M302 HydrophobicContact CD1-SD 3.34Å; I234-M302 WeakPolarHBondContact CD1-SD 3.5Å; I234-M302 HydrophobicContact CG1-CE 4.01Å
235	V	94.3	Very high	90.4	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-57.1	-41.4	175.9	178.2	0	0	0	0	110.4	Y24 F138 F169 I231 S237 I238 T239	Y24-V235 WeakPolarHBondContact OH-CG1 3.41Å; F138-V235 HydrophobicContact CE1-CB 4.45Å; F138-V235 HydrophobicContact CE1-CG1 3.59Å; F138-V235 HydrophobicContact CE1-CG2 3.95Å; F138-V235 HydrophobicContact CZ-CG1 3.69Å; F169-V235 HydrophobicContact CD1-CG2 3.86Å; F169-V235 HydrophobicContact CE1-CB 4.45Å; F169-V235 HydrophobicContact CE1-CG1 4.33Å; F169-V235 HydrophobicContact CE1-CG2 3.93Å; F169-V235 HydrophobicContact CE2-CG1 4.35Å; F169-V235 HydrophobicContact CG-CG2 4.4Å; F169-V235 HydrophobicContact CZ-CG1 4.1Å; I231-V235 HydrophobicContact CG2-CG2 3.94Å; I231-V235 VanDerWaalsContact O-CG2 3.32Å; I231-V235 WeakPolarHBondContact O-CG2 3.43Å; I231-V235 PolarHBondContact O-N 2.84Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 3.14Å; V235-I238 PolarHBondContact O-N 2.76Å; V235-T239 HydrophobicContact CG1-CG2 4.34Å; V235-T239 WeakPolarHBondContact O-CB 3.4Å; V235-T239 WeakPolarHBondContact O-CG2 3.35Å; V235-T239 PolarHBondContact O-N 2.82Å; V235-T239 PolarHBondContact O-OG1 3.06Å
236	S	94.4	Very high	89.2	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-40.8	174.8	176.3	0	0	0	0	112.2	E27 S232 I234 T239 A240 R243 R320	E27-S236 VanDerWaalsContact CD-OG 3.25Å; E27-S236 PolarHBondContact OE1-OG 2.88Å; E27-S236 PolarHBondContact OE2-OG 3.06Å; S232-S236 WeakPolarHBondContact O-CB 3.41Å; S232-S236 PolarHBondContact O-N 2.94Å; I234-S236 PolarHBondContact O-N 2.87Å; S236-T239 PolarHBondContact O-N 3.25Å; S236-T239 PolarHBondContact O-OG1 2.87Å; S236-A240 WeakPolarHBondContact O-CA 3.31Å; S236-A240 VanDerWaalsContact O-CB 3.23Å; S236-A240 WeakPolarHBondContact O-CB 3.49Å; S236-A240 PolarHBondContact O-N 3.13Å; S236-R243 PolarHBondContact O-NH2 3.1Å; S236-R243 VanDerWaalsContact O-NH2 3.16Å; S236-R243 PolarHBondContact OG-NH2 2.85Å; S236-R320 PolarHBondContact OG-NH1 2.9Å
237	S	92.2	Very high	87.7	Confident	5 Å²	5	17 Å²	17	4%	0.035	10%	0.101	C	C	.	.	H	α-helix	trans	-68.4	-36.3	177.9	-59.8	0	0	0	0	112.7	Q233 I234 V235 Y272	Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 3.4Å; Q233-S237 PolarHBondContact O-OG 3.11Å; I234-S237 WeakPolarHBondContact O-CA 3.42Å; I234-S237 WeakPolarHBondContact O-CB 3.17Å; I234-S237 PolarHBondContact O-N 3.45Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 3.14Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.21Å
238	I	89.8	Confident	86.3	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-43.5	176.4	-64	166.7	0	0	0	110.6	F169 F202 I234 V235 F255 L378	F169-I238 HydrophobicContact CE1-CD1 3.77Å; F169-I238 HydrophobicContact CE1-CG2 4.49Å; F169-I238 HydrophobicContact CZ-CD1 4.44Å; F169-I238 HydrophobicContact CZ-CG2 4.14Å; F202-I238 HydrophobicContact CE2-CG2 4.02Å; F202-I238 HydrophobicContact CG-CD1 4.49Å; F202-I238 HydrophobicContact CZ-CG2 4.12Å; I234-I238 HydrophobicContact CG2-CD1 3.87Å; I234-I238 WeakPolarHBondContact O-CG1 3.26Å; I234-I238 PolarHBondContact O-N 2.89Å; V235-I238 PolarHBondContact O-N 2.76Å; I238-F255 HydrophobicContact CG2-CE1 4.2Å; I238-F255 HydrophobicContact CG2-CZ 3.9Å; I238-F255 WeakPolarHBondContact O-CZ 3.35Å; I238-L378 HydrophobicContact CD1-CD2 3.8Å; I238-L378 HydrophobicContact CG1-CD1 4.18Å; I238-L378 HydrophobicContact CG1-CD2 3.96Å; I238-L378 HydrophobicContact CG1-CG 4.45Å; I238-L378 HydrophobicContact CG2-CD1 4.35Å
239	T	90.4	Very high	84.8	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-85.3	-5.9	-178.7	61.3	0	0	0	0	113.8	Y24 F52 L136 V235 S236 S241 L242 R243	Y24-T239 PolarHBondContact OH-OG1 3.28Å; Y24-T239 VanDerWaalsContact OH-OG1 3.04Å; F52-T239 HydrophobicContact CE1-CG2 4.39Å; F52-T239 HydrophobicContact CZ-CG2 4.01Å; L136-T239 HydrophobicContact CD1-CG2 3.92Å; V235-T239 HydrophobicContact CG1-CG2 4.34Å; V235-T239 WeakPolarHBondContact O-CB 3.4Å; V235-T239 WeakPolarHBondContact O-CG2 3.35Å; V235-T239 PolarHBondContact O-N 2.82Å; V235-T239 PolarHBondContact O-OG1 3.06Å; S236-T239 PolarHBondContact O-N 3.25Å; S236-T239 PolarHBondContact O-OG1 2.87Å; T239-S241 PolarHBondContact O-N 2.82Å; T239-L242 WeakPolarHBondContact O-CB 3.18Å; T239-L242 PolarHBondContact O-N 2.97Å; T239-R243 PolarHBondContact O-N 3.41Å; T239-R243 PolarHBondContact OG1-NE 2.97Å
240	A	89	Confident	83.5	Confident	3 Å²	3	21.3 Å²	21.3	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-35.1	-175.9	0	0	0	0	0	112.6	S236 L242 R243 F244	S236-A240 WeakPolarHBondContact O-CA 3.31Å; S236-A240 VanDerWaalsContact O-CB 3.23Å; S236-A240 WeakPolarHBondContact O-CB 3.49Å; S236-A240 PolarHBondContact O-N 3.13Å; A240-L242 PolarHBondContact O-N 2.81Å; A240-R243 PolarHBondContact O-N 2.99Å; A240-F244 HydrophobicContact CB-CD2 4.33Å; A240-F244 PolarHBondContact O-N 3.44Å
241	S	82.9	Confident	82.4	Confident	19 Å²	19	22.2 Å²	22.2	13%	0.133	13%	0.133	C	C	.	.	H	α-helix	trans	-67.6	-18.4	177.5	57.2	0	0	0	0	113.8	T239 V250	T239-S241 PolarHBondContact O-N 2.82Å; S241-V250 WeakPolarHBondContact CB-O 3.33Å; S241-V250 PolarHBondContact OG-O 2.92Å
242	L	82.8	Confident	81.6	Confident	15 Å²	15	22.1 Å²	22.1	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-91.2	-26.6	177.2	-53.4	172.2	0	0	0	111.9	T51 F52 T239 A240 L252	T51-L242 WeakPolarHBondContact CB-O 3.41Å; T51-L242 WeakPolarHBondContact CG2-O 3.22Å; T51-L242 PolarHBondContact OG1-O 2.74Å; F52-L242 HydrophobicContact CE2-CB 3.81Å; F52-L242 HydrophobicContact CE2-CD1 4.13Å; F52-L242 HydrophobicContact CZ-CD1 4.21Å; T239-L242 WeakPolarHBondContact O-CB 3.18Å; T239-L242 PolarHBondContact O-N 2.97Å; A240-L242 PolarHBondContact O-N 2.81Å; L242-L252 HydrophobicContact CD1-CD2 3.54Å; L242-L252 HydrophobicContact CD1-CG 4.12Å; L242-L252 HydrophobicContact CD2-CD2 4.41Å; L242-L252 HydrophobicContact CD2-CG 4.37Å
243	R	87	Confident	80.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-100	-23	-173.2	-66.6	-174.1	-62.1	104.9	-0.5	113.8	E27 H28 S48 F52 S236 T239 A240	E27-R243 IonicContact OE2-CZ 3.53Å; E27-R243 IonicContact OE2-NH1 2.85Å; E27-R243 PolarHBondContact OE2-NH1 3.41Å; E27-R243 IonicContact OE2-NH2 3.92Å; E27-R243 PolarHBondContact OE2-NH2 3.14Å; H28-R243 PolarHBondContact NE2-NH1 2.99Å; S48-R243 CarbonylContact C-O 3.58Å; S48-R243 WeakPolarHBondContact CB-O 3.2Å; S48-R243 PolarHBondContact OG-O 3.42Å; F52-R243 HydrophobicContact CB-CG 4.46Å; F52-R243 HydrophobicContact CD1-CG 4.43Å; F52-R243 HydrophobicContact CD2-CG 3.46Å; F52-R243 VanDerWaalsContact CD2-CG 3.46Å; F52-R243 HydrophobicContact CE2-CG 3.68Å; F52-R243 HydrophobicContact CG-CG 3.87Å; F52-R243 HydrophobicContact CZ-CG 4.24Å; S236-R243 PolarHBondContact O-NH2 3.1Å; S236-R243 VanDerWaalsContact O-NH2 3.16Å; S236-R243 PolarHBondContact OG-NH2 2.85Å; T239-R243 PolarHBondContact O-N 3.41Å; T239-R243 PolarHBondContact OG1-NE 2.97Å; A240-R243 PolarHBondContact O-N 2.99Å
244	F	84.8	Confident	80.3	Confident	9 Å²	9	28.8 Å²	28.8	4%	0.039	17%	0.169	C	C	.	.	S	Bend	trans	-124.7	153.5	-180	-62.6	-66.6	0	0	0	110.8	E27 H28 A240 N356 Q358	E27-F244 HydrophobicContact CB-CZ 3.95Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.37Å; H28-F244 AromaticContact CE1-CD1 3.91Å; H28-F244 AromaticContact CE1-CE1 3.16Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.4Å; H28-F244 AromaticContact CE1-CZ 3.24Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.01Å; H28-F244 AromaticContact ND1-CE1 3.45Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.2Å; H28-F244 AromaticContact ND1-CZ 3.74Å; H28-F244 AromaticContact NE2-CZ 3.67Å; A240-F244 HydrophobicContact CB-CD2 4.33Å; A240-F244 PolarHBondContact O-N 3.44Å; F244-N356 WeakPolarHBondContact CB-ND2 3.45Å; F244-N356 VanDerWaalsContact CD2-ND2 3.3Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.25Å; F244-Q358 VanDerWaalsContact CD1-NE2 3.26Å
245	D	75.1	Confident	79.6	Confident	130 Å²	130	28.7 Å²	28.7	70%	0.695	17%	0.168	S	C	*	.			trans	-77.3	134.3	166	-162	21.2	0	0	0	109.5	N249	D245-N249 PolarHBondContact OD1-ND2 3.48Å; D245-N249 VanDerWaalsContact OD1-ND2 3.14Å
246	G	66.7	Low	79	Confident	17 Å²	17	31.6 Å²	31.6	18%	0.175	18%	0.181	C	C	.	.			trans	-140.3	164.8	-174.8	0	0	0	0	0	110.9	L248 N249	G246-L248 VanDerWaalsContact C-N 3.25Å; G246-L248 PolarHBondContact O-N 2.89Å; G246-N249 WeakPolarHBondContact CA-OD1 3.14Å; G246-N249 PolarHBondContact N-OD1 2.99Å; G246-N249 PolarHBondContact O-OD1 3.35Å
247	A	61.1	Low	78.6	Confident	65 Å²	65	36.6 Å²	36.6	54%	0.537	21%	0.212	S	C	.	.	S	Bend	trans	-70.4	-26.8	-178.1	0	0	0	0	0	112.4	I355 Y357	A247-I355 PolarHBondContact N-O 3.24Å; A247-I355 VanDerWaalsContact N-O 3.17Å; A247-Y357 HydrophobicContact CB-CE2 3.98Å
248	L	62.3	Low	78.3	Confident	100 Å²	100	38 Å²	38	52%	0.524	22%	0.219	S	C	.	.	S	Bend	trans	-140.6	98.2	172.5	-154.1	81.9	0	0	0	108.4	G246 V353	G246-L248 VanDerWaalsContact C-N 3.25Å; G246-L248 PolarHBondContact O-N 2.89Å; L248-V353 WeakPolarHBondContact CD2-O 3.5Å
249	N	62	Low	78.1	Confident	57 Å²	57	37.9 Å²	37.9	31%	0.305	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-88.5	121.5	-179.7	-64.1	-26.4	0	0	0	109.3	D245 G246	D245-N249 PolarHBondContact OD1-ND2 3.48Å; D245-N249 VanDerWaalsContact OD1-ND2 3.14Å; G246-N249 WeakPolarHBondContact CA-OD1 3.14Å; G246-N249 PolarHBondContact N-OD1 2.99Å; G246-N249 PolarHBondContact O-OD1 3.35Å
250	V	66.6	Low	78.1	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.03	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-91.2	123.3	170.8	-174.4	0	0	0	0	108.1	S241 E254 F255 L318	S241-V250 WeakPolarHBondContact CB-O 3.33Å; S241-V250 PolarHBondContact OG-O 2.92Å; V250-E254 WeakPolarHBondContact CA-OE2 3.35Å; V250-E254 HydrophobicContact CG1-CB 3.7Å; V250-F255 HydrophobicContact CB-CE2 4.42Å; V250-F255 HydrophobicContact CB-CZ 4.36Å; V250-F255 HydrophobicContact CG1-CD1 4.17Å; V250-F255 HydrophobicContact CG1-CD2 4Å; V250-F255 HydrophobicContact CG1-CE1 4.14Å; V250-F255 HydrophobicContact CG1-CE2 4Å; V250-F255 HydrophobicContact CG1-CG 4.09Å; V250-F255 HydrophobicContact CG1-CZ 4.06Å; V250-L318 HydrophobicContact CG2-CD2 4.28Å
251	D	71.9	Confident	78.1	Confident	20 Å²	20	40.9 Å²	40.9	11%	0.107	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-90.7	171.9	171.8	71.2	31.8	0	0	0	113.3	R2 T253 E254 F255	R2-D251 IonicContact CZ-OD2 3.48Å; R2-D251 IonicContact NH1-OD2 3.29Å; R2-D251 PolarHBondContact NH1-OD2 3.01Å; R2-D251 IonicContact NH2-OD2 3.43Å; D251-T253 VanDerWaalsContact C-N 3.26Å; D251-T253 PolarHBondContact O-N 3.34Å; D251-T253 PolarHBondContact OD1-N 2.91Å; D251-T253 VanDerWaalsContact OD1-N 3.1Å; D251-E254 WeakPolarHBondContact O-CB 3.18Å; D251-E254 PolarHBondContact O-N 3.17Å; D251-E254 VanDerWaalsContact O-N 3.13Å; D251-E254 WeakPolarHBondContact OD1-CB 3.39Å; D251-E254 VanDerWaalsContact OD1-CG 3.32Å; D251-E254 WeakPolarHBondContact OD1-CG 3.24Å; D251-E254 PolarHBondContact OD1-N 2.59Å; D251-F255 VanDerWaalsContact O-CD2 3.28Å; D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 2.86Å
252	L	76.8	Confident	78.4	Confident	2 Å²	2	45 Å²	45	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-38	-178.7	-67.3	-171.2	0	0	0	113.1	Q133 L136 L167 L242 F255	Q133-L252 HydrophobicContact CB-CD1 3.94Å; Q133-L252 HydrophobicContact CB-CG 4.47Å; L136-L252 HydrophobicContact CD2-CD2 4Å; L167-L252 HydrophobicContact CD1-CB 4.05Å; L167-L252 HydrophobicContact CD1-CD1 4.15Å; L167-L252 HydrophobicContact CD1-CD2 3.82Å; L167-L252 HydrophobicContact CD1-CG 4.23Å; L167-L252 HydrophobicContact CD2-CD2 3.85Å; L167-L252 HydrophobicContact CG-CD2 4.47Å; L242-L252 HydrophobicContact CD1-CD2 3.54Å; L242-L252 HydrophobicContact CD1-CG 4.12Å; L242-L252 HydrophobicContact CD2-CD2 4.41Å; L242-L252 HydrophobicContact CD2-CG 4.37Å; L252-F255 HydrophobicContact CD2-CD2 4.41Å; L252-F255 PolarHBondContact O-N 3.43Å
253	T	80.7	Confident	78.7	Confident	71 Å²	71	49.4 Å²	49.4	44%	0.436	28%	0.281	S	S	.	.	H	α-helix	trans	-73.6	-32.4	178.5	-53.5	0	0	0	0	111.3	D251 F255 Q256 T257	D251-T253 VanDerWaalsContact C-N 3.26Å; D251-T253 PolarHBondContact O-N 3.34Å; D251-T253 PolarHBondContact OD1-N 2.91Å; D251-T253 VanDerWaalsContact OD1-N 3.1Å; T253-F255 VanDerWaalsContact C-N 3.34Å; T253-Q256 PolarHBondContact O-N 3.1Å; T253-T257 PolarHBondContact O-N 3.27Å; T253-T257 PolarHBondContact O-OG1 3.21Å
254	E	81.9	Confident	79	Confident	73 Å²	73	52.9 Å²	52.9	34%	0.341	29%	0.294	S	S	.	.	H	α-helix	trans	-69.2	-29.4	172.8	-76	-176.1	-162.3	0	0	112.4	V250 D251 T257 N258	V250-E254 WeakPolarHBondContact CA-OE2 3.35Å; V250-E254 HydrophobicContact CG1-CB 3.7Å; D251-E254 WeakPolarHBondContact O-CB 3.18Å; D251-E254 PolarHBondContact O-N 3.17Å; D251-E254 VanDerWaalsContact O-N 3.13Å; D251-E254 WeakPolarHBondContact OD1-CB 3.39Å; D251-E254 VanDerWaalsContact OD1-CG 3.32Å; D251-E254 WeakPolarHBondContact OD1-CG 3.24Å; D251-E254 PolarHBondContact OD1-N 2.59Å; E254-T257 PolarHBondContact O-N 3.31Å; E254-N258 WeakPolarHBondContact O-CB 3.28Å; E254-N258 PolarHBondContact O-N 3.2Å; E254-N258 PolarHBondContact O-ND2 2.95Å
255	F	78.5	Confident	79.5	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.013	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-48.4	170.7	-81.9	-69.9	0	0	0	111.1	L167 F202 I238 V250 D251 L252 T253 N258 L259 L318 L378	L167-F255 HydrophobicContact CD2-CB 4.2Å; L167-F255 HydrophobicContact CD2-CD2 4.27Å; L167-F255 HydrophobicContact CD2-CG 4.36Å; F202-F255 HydrophobicContact CZ-CD1 4.27Å; I238-F255 HydrophobicContact CG2-CE1 4.2Å; I238-F255 HydrophobicContact CG2-CZ 3.9Å; I238-F255 WeakPolarHBondContact O-CZ 3.35Å; V250-F255 HydrophobicContact CB-CE2 4.42Å; V250-F255 HydrophobicContact CB-CZ 4.36Å; V250-F255 HydrophobicContact CG1-CD1 4.17Å; V250-F255 HydrophobicContact CG1-CD2 4Å; V250-F255 HydrophobicContact CG1-CE1 4.14Å; V250-F255 HydrophobicContact CG1-CE2 4Å; V250-F255 HydrophobicContact CG1-CG 4.09Å; V250-F255 HydrophobicContact CG1-CZ 4.06Å; D251-F255 VanDerWaalsContact O-CD2 3.28Å; D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 2.86Å; L252-F255 HydrophobicContact CD2-CD2 4.41Å; L252-F255 PolarHBondContact O-N 3.43Å; T253-F255 VanDerWaalsContact C-N 3.34Å; F255-N258 PolarHBondContact O-N 2.94Å; F255-L259 HydrophobicContact CD1-CD1 3.83Å; F255-L259 VanDerWaalsContact O-CB 3.25Å; F255-L259 WeakPolarHBondContact O-CB 3.3Å; F255-L259 PolarHBondContact O-N 3.22Å; F255-L318 HydrophobicContact CE1-CD1 4.25Å; F255-L318 HydrophobicContact CZ-CD1 4.31Å; F255-L378 HydrophobicContact CD1-CD1 3.98Å; F255-L378 HydrophobicContact CE1-CD1 3.44Å; F255-L378 VanDerWaalsContact CE1-CD1 3.44Å; F255-L378 HydrophobicContact CZ-CD1 4.46Å
256	Q	82.3	Confident	80.4	Confident	63 Å²	63	46.5 Å²	46.5	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-52.1	175.2	-175.6	177.8	19.2	0	0	110.8	D199 T253 N258 L259 V260	D199-Q256 PolarHBondContact OD1-NE2 3.27Å; D199-Q256 VanDerWaalsContact OD1-NE2 3.17Å; T253-Q256 PolarHBondContact O-N 3.1Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.83Å; Q256-L259 PolarHBondContact O-N 2.79Å; Q256-V260 HydrophobicContact CG-CB 4.37Å; Q256-V260 WeakPolarHBondContact O-CA 3.26Å; Q256-V260 VanDerWaalsContact O-CB 3.32Å; Q256-V260 WeakPolarHBondContact O-CB 2.73Å; Q256-V260 PolarHBondContact O-N 2.8Å
257	T	85.6	Confident	81.8	Confident	106 Å²	106	45.8 Å²	45.8	65%	0.65	25%	0.252	S	S	*	.	H	α-helix	trans	-62.3	-33.4	-177.1	-52.4	0	0	0	0	112.9	T253 E254	T253-T257 PolarHBondContact O-N 3.27Å; T253-T257 PolarHBondContact O-OG1 3.21Å; E254-T257 PolarHBondContact O-N 3.31Å
258	N	85.4	Confident	83.3	Confident	34 Å²	34	42.7 Å²	42.7	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-91.5	-29.5	-176	-70.4	-47.1	0	0	0	113.8	E254 F255 Q256 A314 K352	E254-N258 WeakPolarHBondContact O-CB 3.28Å; E254-N258 PolarHBondContact O-N 3.2Å; E254-N258 PolarHBondContact O-ND2 2.95Å; F255-N258 PolarHBondContact O-N 2.94Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.83Å; N258-A314 WeakPolarHBondContact O-CB 3.49Å; N258-K352 HydrophobicContact CB-CG 4.17Å; N258-K352 WeakPolarHBondContact OD1-CE 3.45Å
259	L	86.8	Confident	84.7	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-110.5	-21.2	-172.8	-63.1	175.8	0	0	0	113.8	F202 F255 Q256 P261 P268 A314 C316 L378 N380	F202-L259 HydrophobicContact CE1-CD1 4.24Å; F255-L259 HydrophobicContact CD1-CD1 3.83Å; F255-L259 VanDerWaalsContact O-CB 3.25Å; F255-L259 WeakPolarHBondContact O-CB 3.3Å; F255-L259 PolarHBondContact O-N 3.22Å; Q256-L259 PolarHBondContact O-N 2.79Å; L259-P261 VanDerWaalsContact O-CD 3.24Å; L259-P261 WeakPolarHBondContact O-CD 3.43Å; L259-P268 HydrophobicContact CB-CG 3.96Å; L259-P268 HydrophobicContact CD1-CB 4.19Å; L259-P268 HydrophobicContact CD1-CG 3.91Å; L259-A314 HydrophobicContact CD2-CB 4.26Å; L259-C316 HydrophobicContact CD2-CB 3.88Å; L259-L378 HydrophobicContact CD1-CB 3.79Å; L259-L378 HydrophobicContact CD1-CD1 3.89Å; L259-L378 HydrophobicContact CD2-CB 4.15Å; L259-L378 WeakPolarHBondContact CD2-O 3.17Å; L259-N380 VanDerWaalsContact O-CB 3.22Å; L259-N380 WeakPolarHBondContact O-CB 3.44Å; L259-N380 PolarHBondContact O-ND2 2.95Å
260	V	90.5	Very high	86.2	Confident	18 Å²	18	35.3 Å²	35.3	11%	0.109	19%	0.188	C	C	.	.			trans	-114.8	90.8	-170.5	-175.5	0	0	0	0	109.5	C200 Q256 Y262 H266	C200-V260 HydrophobicContact CB-CG2 4.19Å; Q256-V260 HydrophobicContact CG-CB 4.37Å; Q256-V260 WeakPolarHBondContact O-CA 3.26Å; Q256-V260 VanDerWaalsContact O-CB 3.32Å; Q256-V260 WeakPolarHBondContact O-CB 2.73Å; Q256-V260 PolarHBondContact O-N 2.8Å; V260-Y262 WeakPolarHBondContact CG1-O 3.49Å; V260-H266 HydrophobicContact CB-CB 4.4Å; V260-H266 HydrophobicContact CG1-CB 3.58Å; V260-H266 HydrophobicContact CG2-CB 3.89Å
261	P	87.9	Confident	87.6	Confident	51 Å²	51	35 Å²	35	33%	0.331	19%	0.186	S	C	.	.	S	Bend	trans	-71.4	-34.7	179.1	29.7	-35.9	0	0	0	112.3	L259 M313 W346	L259-P261 VanDerWaalsContact O-CD 3.24Å; L259-P261 WeakPolarHBondContact O-CD 3.43Å; P261-M313 HydrophobicContact CG-CB 4.05Å; P261-M313 HydrophobicContact CG-CG 4.37Å; P261-M313 HydrophobicContact CG-SD 3.83Å; P261-W346 HydrophobicContact CB-CH2 3.51Å; P261-W346 HydrophobicContact CB-CZ3 3.92Å; P261-W346 HydrophobicContact CG-CH2 3.86Å
262	Y	89.6	Confident	88.7	Confident	105 Å²	105	34.4 Å²	34.4	41%	0.412	18%	0.182	S	C	.	.	S	Bend	trans	-126	136.3	179.2	-61.5	-73.1	0	0	0	109.4	V260 R264 I265 W346 V435	V260-Y262 WeakPolarHBondContact CG1-O 3.49Å; Y262-R264 VanDerWaalsContact C-N 3.27Å; Y262-R264 PolarHBondContact O-N 3.13Å; Y262-R264 VanDerWaalsContact O-N 3.15Å; Y262-I265 HydrophobicContact CD2-CD1 4.17Å; Y262-I265 CarbonylContact O-C 3.5Å; Y262-I265 PolarHBondContact O-N 2.91Å; Y262-W346 HydrophobicContact CE2-CH2 4.18Å; Y262-W346 AromaticContact CE2-CZ2 3.85Å; Y262-W346 HydrophobicContact CE2-CZ2 3.85Å; Y262-V435 HydrophobicContact CD2-CG2 4.08Å; Y262-V435 HydrophobicContact CE2-CG2 3.84Å
263	P	89.8	Confident	89.6	Confident	108 Å²	108	34.3 Å²	34.3	70%	0.701	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.5	-174.4	-29.8	36	0	0	0	115.4	H266	P263-H266 PolarHBondContact O-ND1 3.15Å
264	R	93.4	Very high	90.2	Very high	73 Å²	73	31.6 Å²	31.6	28%	0.275	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-26.4	178.1	-69.9	176.5	60	87.1	-1	113.4	L195 Y262 H266 D424 L428 D431	L195-R264 VanDerWaalsContact CD2-NH1 3.35Å; Y262-R264 VanDerWaalsContact C-N 3.27Å; Y262-R264 PolarHBondContact O-N 3.13Å; Y262-R264 VanDerWaalsContact O-N 3.15Å; R264-H266 VanDerWaalsContact C-N 3.31Å; R264-H266 PolarHBondContact O-N 3.43Å; R264-D424 IonicContact CZ-OD1 3.25Å; R264-D424 VanDerWaalsContact CZ-OD1 3.25Å; R264-D424 IonicContact NH1-OD1 2.78Å; R264-D424 PolarHBondContact NH1-OD1 2.82Å; R264-D424 PolarHBondContact NH2-O 2.98Å; R264-D424 IonicContact NH2-OD1 2.79Å; R264-D424 PolarHBondContact NH2-OD1 3.06Å; R264-L428 HydrophobicContact CB-CD1 4.28Å; R264-L428 WeakPolarHBondContact O-CD1 3.48Å; R264-D431 IonicContact CZ-OD2 3.29Å; R264-D431 IonicContact NE-OD2 3.44Å; R264-D431 PolarHBondContact NE-OD2 3.23Å; R264-D431 IonicContact NH2-OD2 3.85Å
265	I	94.4	Very high	90.7	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.152	C	C	.	.			trans	-95.6	64.3	-178.6	-59.8	171.9	0	0	0	108.8	Y262 M313 N380 D431 Y432 V435	Y262-I265 HydrophobicContact CD2-CD1 4.17Å; Y262-I265 CarbonylContact O-C 3.5Å; Y262-I265 PolarHBondContact O-N 2.91Å; I265-M313 HydrophobicContact CG2-CE 3.63Å; I265-M313 HydrophobicContact CG2-SD 3.75Å; I265-N380 PolarHBondContact O-ND2 3.38Å; I265-D431 HydrophobicContact CD1-CB 4.2Å; I265-D431 HydrophobicContact CG1-CB 4.4Å; I265-Y432 HydrophobicContact CB-CE1 4.37Å; I265-Y432 HydrophobicContact CG1-CE1 4.33Å; I265-Y432 HydrophobicContact CG2-CD1 4.1Å; I265-Y432 HydrophobicContact CG2-CE1 3.35Å; I265-V435 HydrophobicContact CD1-CB 4.34Å; I265-V435 HydrophobicContact CD1-CG2 3.61Å
266	H	94.9	Very high	91.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.161	C	C	.	.			trans	-112	28.8	-172.6	64.1	-147.5	0	0	0	113.9	L195 S198 C200 A201 V260 P263 R264 P268	L195-H266 PolarHBondContact O-CE1 2.85Å; S198-H266 PolarHBondContact O-CE1 3.04Å; S198-H266 VanDerWaalsContact O-CE1 3.27Å; S198-H266 PolarHBondContact O-ND1 2.99Å; C200-H266 WeakPolarHBondContact CA-O 3.32Å; A201-H266 PolarHBondContact N-O 2.76Å; V260-H266 HydrophobicContact CB-CB 4.4Å; V260-H266 HydrophobicContact CG1-CB 3.58Å; V260-H266 HydrophobicContact CG2-CB 3.89Å; P263-H266 PolarHBondContact O-ND1 3.15Å; R264-H266 VanDerWaalsContact C-N 3.31Å; R264-H266 PolarHBondContact O-N 3.43Å; H266-P268 VanDerWaalsContact C-CD 3.45Å; H266-P268 WeakPolarHBondContact O-CD 3.27Å
267	F	95.4	Very high	91.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	15%	0.15	C	C	.	.			trans	-111.3	79	-177.5	-58.2	-85	0	0	0	112.7	T191 L195 A201 M203 I384 W388 L428	T191-F267 HydrophobicContact CG2-CZ 4.08Å; L195-F267 HydrophobicContact CD1-CE2 3.65Å; L195-F267 HydrophobicContact CD1-CZ 3.75Å; A201-F267 HydrophobicContact CB-CD1 3.64Å; A201-F267 HydrophobicContact CB-CE1 3.66Å; A201-F267 WeakPolarHBondContact O-CA 3.06Å; M203-F267 HydrophobicContact CE-CB 4.26Å; M203-F267 HydrophobicContact CG-CD1 4.1Å; M203-F267 HydrophobicContact SD-CD1 4.34Å; F267-I384 HydrophobicContact CB-CD1 4.13Å; F267-I384 WeakPolarHBondContact O-CD1 3.5Å; F267-W388 HydrophobicContact CD1-CH2 4.42Å; F267-W388 AromaticContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD2-CZ2 4.08Å; F267-W388 HydrophobicContact CE1-CH2 4.04Å; F267-W388 AromaticContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE2-CZ2 4.01Å; F267-W388 AromaticContact CG-CZ2 3.93Å; F267-W388 HydrophobicContact CG-CZ2 3.93Å; F267-W388 HydrophobicContact CZ-CH2 4.26Å; F267-W388 AromaticContact CZ-CZ2 3.79Å; F267-W388 HydrophobicContact CZ-CZ2 3.79Å; F267-L428 HydrophobicContact CE2-CD2 4.09Å
268	P	92.9	Very high	91.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-67.5	138.6	175.4	-18.2	31	0	0	0	112.1	C200 F202 L259 H266	C200-P268 VanDerWaalsContact SG-CD 3.51Å; C200-P268 WeakPolarHBondContact SG-CG 3.44Å; F202-P268 HydrophobicContact CD1-CB 4.14Å; F202-P268 HydrophobicContact CD1-CG 4.32Å; F202-P268 HydrophobicContact CE1-CB 4.02Å; F202-P268 HydrophobicContact CE1-CG 3.99Å; L259-P268 HydrophobicContact CB-CG 3.96Å; L259-P268 HydrophobicContact CD1-CB 4.19Å; L259-P268 HydrophobicContact CD1-CG 3.91Å; H266-P268 VanDerWaalsContact C-CD 3.45Å; H266-P268 WeakPolarHBondContact O-CD 3.27Å
269	L	91.3	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.7	166.8	179.6	69.5	0	0	0	110	Q301 V303 L378 S379 T381	L269-Q301 HydrophobicContact CD1-CB 4.41Å; L269-Q301 HydrophobicContact CD2-CB 4.36Å; L269-Q301 HydrophobicContact CD2-CG 3.93Å; L269-V303 HydrophobicContact CD1-CB 3.48Å; L269-V303 VanDerWaalsContact CD1-CB 3.48Å; L269-V303 HydrophobicContact CD1-CG2 3.78Å; L269-L378 CarbonylContact O-C 3.58Å; L269-L378 WeakPolarHBondContact O-CA 3.42Å; L269-S379 WeakPolarHBondContact CB-O 3.04Å; L269-S379 PolarHBondContact N-O 3.49Å; L269-S379 PolarHBondContact O-N 3.48Å; L269-T381 HydrophobicContact CB-CG2 4.36Å; L269-T381 HydrophobicContact CD2-CG2 4.25Å
270	A	93.1	Very high	91.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.5	168.3	0	0	0	0	0	111.2	I234 M302 M377 L378	I234-A270 HydrophobicContact CG2-CB 4.12Å; A270-M302 HydrophobicContact CB-CB 4.28Å; A270-M302 HydrophobicContact CB-CG 4.06Å; A270-M302 VanDerWaalsContact O-CB 3.26Å; A270-M302 WeakPolarHBondContact O-CB 3.48Å; A270-M302 WeakPolarHBondContact O-CG 3.19Å; A270-M302 PolarHBondContact O-N 3.46Å; A270-M377 CarbonylContact C-O 3.56Å; A270-M377 WeakPolarHBondContact CA-O 3.43Å; A270-L378 HydrophobicContact CB-CD2 3.9Å
271	T	95.4	Very high	90.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.3	171.9	-49.6	0	0	0	0	108.7	C295 N300 Q301 C376 M377	T271-C295 HydrophobicContact CG2-CB 4.41Å; T271-C295 WeakPolarHBondContact CG2-O 3.26Å; T271-N300 HydrophobicContact CG2-CB 3.87Å; T271-N300 WeakPolarHBondContact CG2-O 3.39Å; T271-Q301 HydrophobicContact CG2-CG 4.07Å; T271-Q301 WeakPolarHBondContact OG1-CG 3.32Å; T271-C376 CarbonylContact O-C 3.59Å; T271-C376 WeakPolarHBondContact O-CA 3.41Å; T271-M377 PolarHBondContact N-O 3.11Å; T271-M377 PolarHBondContact O-N 2.71Å
272	Y	95.4	Very high	89	Confident	6 Å²	6	44.3 Å²	44.3	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.2	-177.4	-176.9	-95.6	0	0	0	111.7	I234 S237 P274 V275 A374 C376	I234-Y272 HydrophobicContact CG1-CD2 4.43Å; I234-Y272 HydrophobicContact CG1-CG 4.15Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.21Å; Y272-P274 WeakPolarHBondContact CE1-O 3.26Å; Y272-V275 HydrophobicContact CD1-CG2 3.81Å; Y272-V275 HydrophobicContact CE1-CG2 4.42Å; Y272-A374 HydrophobicContact CE2-CB 4.06Å; Y272-A374 VanDerWaalsContact OH-CB 3.31Å; Y272-A374 WeakPolarHBondContact OH-CB 3.15Å; Y272-C376 HydrophobicContact CD2-CB 4.1Å
273	A	95.3	Very high	87.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.4	175.9	0	0	0	0	0	111.5	A294 A374 V375	A273-A294 HydrophobicContact CB-CB 3.75Å; A273-A374 CarbonylContact O-C 3.55Å; A273-A374 WeakPolarHBondContact O-CA 3.49Å; A273-V375 HydrophobicContact CB-CG1 4.25Å; A273-V375 PolarHBondContact N-O 2.65Å; A273-V375 PolarHBondContact O-N 3.2Å
274	P	93.8	Very high	86.2	Confident	14 Å²	14	48.9 Å²	48.9	9%	0.091	23%	0.234	C	C	.	.			cis	-89.1	153.6	-3.6	37.6	-35.5	0	0	0	112.2	Y272 I276 L286 I291 V371 R373	Y272-P274 WeakPolarHBondContact CE1-O 3.26Å; P274-I276 HydrophobicContact CB-CD1 3.96Å; P274-I276 HydrophobicContact CB-CG1 4.02Å; P274-I276 HydrophobicContact CG-CD1 4.15Å; P274-L286 HydrophobicContact CB-CD1 3.4Å; P274-L286 HydrophobicContact CG-CD1 3.95Å; P274-I291 HydrophobicContact CB-CG2 4.36Å; P274-I291 HydrophobicContact CG-CG2 4.22Å; P274-V371 HydrophobicContact CG-CB 4.49Å; P274-V371 HydrophobicContact CG-CG1 4.1Å; P274-R373 WeakPolarHBondContact CD-O 3.17Å
275	V	92.5	Very high	85.3	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.055	26%	0.258	C	S	.	.			trans	-111	106.1	169.1	179.8	0	0	0	0	107.3	I212 N216 L217 L230 Y272 L368	I212-V275 HydrophobicContact CG2-CB 4.18Å; I212-V275 HydrophobicContact CG2-CG1 3.73Å; I212-V275 HydrophobicContact CG2-CG2 4.13Å; N216-V275 HydrophobicContact CB-CB 4.21Å; N216-V275 HydrophobicContact CB-CG1 3.82Å; N216-V275 WeakPolarHBondContact CB-O 3.35Å; N216-V275 PolarHBondContact ND2-O 2.51Å; L217-V275 HydrophobicContact CD2-CG1 3.67Å; L217-V275 HydrophobicContact CG-CG1 4.05Å; L230-V275 HydrophobicContact CD1-CG1 4.32Å; L230-V275 HydrophobicContact CD1-CG2 4.05Å; Y272-V275 HydrophobicContact CD1-CG2 3.81Å; Y272-V275 HydrophobicContact CE1-CG2 4.42Å; V275-L368 HydrophobicContact CG1-CD2 3.91Å
276	I	91.1	Very high	85	Confident	38 Å²	38	55.3 Å²	55.3	20%	0.195	27%	0.269	C	S	.	.			trans	-129.5	133.4	-174.6	-55.9	173.7	0	0	0	109	P274 K280 L286 A369 V371	P274-I276 HydrophobicContact CB-CD1 3.96Å; P274-I276 HydrophobicContact CB-CG1 4.02Å; P274-I276 HydrophobicContact CG-CD1 4.15Å; I276-K280 HydrophobicContact CG2-CB 4Å; I276-L286 HydrophobicContact CD1-CD1 3.92Å; I276-A369 HydrophobicContact CB-CB 4.19Å; I276-A369 HydrophobicContact CG2-CB 4.15Å; I276-A369 PolarHBondContact O-N 2.93Å; I276-V371 HydrophobicContact CD1-CG1 4.39Å
277	S	90.2	Very high	84.9	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.063	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-58.7	140.2	172.2	177.5	0	0	0	0	111.9	N216 E279 K280 A281 D367	N216-S277 PolarHBondContact O-N 2.85Å; S277-E279 PolarHBondContact O-N 3.15Å; S277-E279 PolarHBondContact OG-N 3.1Å; S277-K280 PolarHBondContact O-N 3.29Å; S277-A281 PolarHBondContact O-N 3.16Å; S277-D367 CarbonylContact C-O 3.5Å; S277-D367 WeakPolarHBondContact CA-O 3.09Å
278	A	86	Confident	84.9	Confident	46 Å²	46	58.3 Å²	58.3	38%	0.38	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-27.4	173.8	0	0	0	0	0	113.5	D367	A278-D367 PolarHBondContact N-O 3.09Å
279	E	82.6	Confident	85	Confident	164 Å²	164	60.3 Å²	60.3	77%	0.766	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.7	177.9	-59.5	-171.5	165.9	0	0	113.2	S277	S277-E279 PolarHBondContact O-N 3.15Å; S277-E279 PolarHBondContact OG-N 3.1Å
280	K	79.8	Confident	85.2	Confident	98 Å²	98	64.9 Å²	64.9	43%	0.426	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.3	-175.2	-68	176.6	176.4	164.6	0	113.5	D218 I276 S277 Y282 H283	D218-K280 IonicContact OD1-NZ 3.88Å; D218-K280 PolarHBondContact OD1-NZ 2.9Å; D218-K280 WeakPolarHBondContact OD2-CE 3.42Å; D218-K280 IonicContact OD2-NZ 2.75Å; D218-K280 PolarHBondContact OD2-NZ 3.18Å; I276-K280 HydrophobicContact CG2-CB 4Å; S277-K280 PolarHBondContact O-N 3.29Å; K280-Y282 PolarHBondContact O-N 3.14Å; K280-Y282 VanDerWaalsContact O-N 3.08Å; K280-H283 PolarHBondContact O-N 2.71Å
281	A	67.3	Low	85.3	Confident	40 Å²	40	64.9 Å²	64.9	33%	0.331	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.7	-171.5	0	0	0	0	0	115.4	S277 A369	S277-A281 PolarHBondContact O-N 3.16Å; A281-A369 HydrophobicContact CB-CB 3.52Å
282	Y	63.9	Low	85.3	Confident	212 Å²	212	64.9 Å²	64.9	83%	0.831	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.7	-172.8	-64.8	-79.2	0	0	0	114.5	K280	K280-Y282 PolarHBondContact O-N 3.14Å; K280-Y282 VanDerWaalsContact O-N 3.08Å
283	H	60.8	Low	85.2	Confident	158 Å²	158	66.7 Å²	66.7	73%	0.731	34%	0.335	S	S	*	.	S	Bend	trans	-91.2	-33.2	-165.2	-73.8	-64.8	0	0	0	114.3	K280	K280-H283 PolarHBondContact O-N 2.71Å
284	E	61.3	Low	85.2	Confident	150 Å²	150	67.6 Å²	67.6	70%	0.701	34%	0.343	S	S	*	.			trans	-150.2	127.9	-175.8	-64.8	-178.3	171.2	0	0	112.8
285	Q	73.8	Confident	85.2	Confident	165 Å²	165	66.9 Å²	66.9	77%	0.771	34%	0.338	S	S	*	.			trans	-90.5	108.1	164.9	-71.9	-170.9	-7.8	0	0	108.6
286	L	87.4	Confident	85.2	Confident	47 Å²	47	67.6 Å²	67.6	25%	0.246	34%	0.34	C	S	.	.			trans	-70.9	135.2	179.5	-64	169.3	0	0	0	111.1	P274 I276 E290 I291 R373	P274-L286 HydrophobicContact CB-CD1 3.4Å; P274-L286 HydrophobicContact CG-CD1 3.95Å; I276-L286 HydrophobicContact CD1-CD1 3.92Å; L286-E290 HydrophobicContact CB-CB 4.45Å; L286-E290 HydrophobicContact CD2-CB 4.2Å; L286-I291 HydrophobicContact CB-CG2 3.64Å; L286-I291 HydrophobicContact CD1-CG2 4.11Å; L286-R373 WeakPolarHBondContact O-CD 3.43Å
287	T	93.9	Very high	85.2	Confident	64 Å²	64	70.6 Å²	70.6	39%	0.393	35%	0.354	S	S	.	.			trans	-74.4	164.7	175	63.8	0	0	0	0	111.4	A289 E290 I291	T287-A289 VanDerWaalsContact C-N 3.26Å; T287-A289 PolarHBondContact O-N 2.85Å; T287-E290 WeakPolarHBondContact CB-OE2 3.24Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.16Å; T287-E290 PolarHBondContact N-OE2 3.39Å; T287-E290 PolarHBondContact O-N 3.01Å; T287-E290 VanDerWaalsContact OG1-CD 3.29Å; T287-E290 WeakPolarHBondContact OG1-CG 3.44Å; T287-E290 PolarHBondContact OG1-N 3.27Å; T287-E290 PolarHBondContact OG1-OE2 3.12Å; T287-I291 PolarHBondContact O-N 2.65Å; T287-I291 VanDerWaalsContact O-N 3.16Å
288	V	94.9	Very high	85.2	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.018	37%	0.365	C	S	.	.	H	α-helix	trans	-56.8	-44.4	174.7	178.7	0	0	0	0	110.2	E290 I291 T292 Y319 V323 D327 V328	V288-E290 PolarHBondContact O-N 2.75Å; V288-I291 WeakPolarHBondContact O-CG1 3.26Å; V288-I291 PolarHBondContact O-N 3.32Å; V288-T292 WeakPolarHBondContact O-CB 3.31Å; V288-T292 PolarHBondContact O-N 3.22Å; V288-T292 PolarHBondContact O-OG1 2.77Å; V288-Y319 HydrophobicContact CG1-CE1 3.91Å; V288-V323 HydrophobicContact CG1-CG1 4.45Å; V288-V323 HydrophobicContact CG2-CG1 4.09Å; V288-D327 HydrophobicContact CB-CB 4.12Å; V288-D327 HydrophobicContact CG1-CB 4.42Å; V288-D327 HydrophobicContact CG2-CB 4.14Å; V288-V328 HydrophobicContact CG1-CB 4.49Å; V288-V328 HydrophobicContact CG1-CG2 3.8Å
289	A	95.5	Very high	85.5	Confident	42 Å²	42	72 Å²	72	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-39.7	-179.7	0	0	0	0	0	113.1	T287 N293 A331	T287-A289 VanDerWaalsContact C-N 3.26Å; T287-A289 PolarHBondContact O-N 2.85Å; A289-N293 WeakPolarHBondContact O-CB 3.41Å; A289-N293 VanDerWaalsContact O-CG 3.27Å; A289-N293 PolarHBondContact O-N 3.35Å; A289-N293 PolarHBondContact O-ND2 3.35Å; A289-A331 HydrophobicContact CB-CB 4.29Å
290	E	94.6	Very high	86	Confident	95 Å²	95	64.8 Å²	64.8	44%	0.444	33%	0.329	S	S	.	.	H	α-helix	trans	-66.5	-47.7	178.7	-73.6	160.6	150.1	0	0	111.8	L286 T287 V288 T292 N293 A294	L286-E290 HydrophobicContact CB-CB 4.45Å; L286-E290 HydrophobicContact CD2-CB 4.2Å; T287-E290 WeakPolarHBondContact CB-OE2 3.24Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.16Å; T287-E290 PolarHBondContact N-OE2 3.39Å; T287-E290 PolarHBondContact O-N 3.01Å; T287-E290 VanDerWaalsContact OG1-CD 3.29Å; T287-E290 WeakPolarHBondContact OG1-CG 3.44Å; T287-E290 PolarHBondContact OG1-N 3.27Å; T287-E290 PolarHBondContact OG1-OE2 3.12Å; V288-E290 PolarHBondContact O-N 2.75Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 2.9Å; E290-N293 PolarHBondContact O-N 3.19Å; E290-A294 PolarHBondContact O-N 3.11Å
291	I	95.4	Very high	86.6	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-35.9	178.7	67.6	174.7	0	0	0	111.6	P274 L286 T287 V288 A294 C295 Y319 R373 V375	P274-I291 HydrophobicContact CB-CG2 4.36Å; P274-I291 HydrophobicContact CG-CG2 4.22Å; L286-I291 HydrophobicContact CB-CG2 3.64Å; L286-I291 HydrophobicContact CD1-CG2 4.11Å; T287-I291 PolarHBondContact O-N 2.65Å; T287-I291 VanDerWaalsContact O-N 3.16Å; V288-I291 WeakPolarHBondContact O-CG1 3.26Å; V288-I291 PolarHBondContact O-N 3.32Å; I291-A294 PolarHBondContact O-N 3.15Å; I291-C295 PolarHBondContact O-N 3.28Å; I291-Y319 HydrophobicContact CD1-CD1 4.27Å; I291-Y319 HydrophobicContact CD1-CE1 4.29Å; I291-R373 HydrophobicContact CD1-CB 4.33Å; I291-R373 HydrophobicContact CD1-CG 4.03Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.25Å; I291-V375 HydrophobicContact CD1-CG1 3.92Å; I291-V375 HydrophobicContact CG1-CG1 3.79Å
292	T	95.9	Very high	87.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-40.8	174.4	-51.5	0	0	0	0	111.2	V288 E290 A294 C295 F296 L317 Y319 A331 I335	V288-T292 WeakPolarHBondContact O-CB 3.31Å; V288-T292 PolarHBondContact O-N 3.22Å; V288-T292 PolarHBondContact O-OG1 2.77Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 2.9Å; T292-A294 VanDerWaalsContact C-N 3.34Å; T292-C295 WeakPolarHBondContact O-CB 3.39Å; T292-C295 PolarHBondContact O-N 3.25Å; T292-F296 WeakPolarHBondContact O-CD2 3.23Å; T292-L317 HydrophobicContact CG2-CD1 4.22Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.15Å; T292-Y319 PolarHBondContact OG1-OH 2.94Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; T292-I335 HydrophobicContact CG2-CG1 4.02Å
293	N	94.1	Very high	89	Confident	44 Å²	44	48.4 Å²	48.4	24%	0.235	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-40.8	176.1	-79.3	-51.3	0	0	0	111.8	A289 E290 C295 F296 I335 K338	A289-N293 WeakPolarHBondContact O-CB 3.41Å; A289-N293 VanDerWaalsContact O-CG 3.27Å; A289-N293 PolarHBondContact O-N 3.35Å; A289-N293 PolarHBondContact O-ND2 3.35Å; E290-N293 PolarHBondContact O-N 3.19Å; N293-C295 PolarHBondContact O-N 2.83Å; N293-F296 PolarHBondContact O-N 3.22Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.34Å; N293-K338 PolarHBondContact OD1-NZ 3.21Å
294	A	94.4	Very high	90.5	Very high	20 Å²	20	44 Å²	44	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-28.4	178.1	0	0	0	0	0	112.9	A273 E290 I291 T292 F296 E297 N300	A273-A294 HydrophobicContact CB-CB 3.75Å; E290-A294 PolarHBondContact O-N 3.11Å; I291-A294 PolarHBondContact O-N 3.15Å; T292-A294 VanDerWaalsContact C-N 3.34Å; A294-F296 PolarHBondContact O-N 3.2Å; A294-E297 WeakPolarHBondContact O-CB 3.3Å; A294-E297 PolarHBondContact O-N 3.29Å; A294-N300 PolarHBondContact O-ND2 3.44Å
295	C	94.3	Very high	91.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22	173	-69.3	0	0	0	0	114.1	T271 I291 T292 N293 V375 M377	T271-C295 HydrophobicContact CG2-CB 4.41Å; T271-C295 WeakPolarHBondContact CG2-O 3.26Å; I291-C295 PolarHBondContact O-N 3.28Å; T292-C295 WeakPolarHBondContact O-CB 3.39Å; T292-C295 PolarHBondContact O-N 3.25Å; N293-C295 PolarHBondContact O-N 2.83Å; C295-V375 WeakPolarHBondContact SG-CG1 3.29Å; C295-M377 HydrophobicContact CB-CB 3.81Å; C295-M377 HydrophobicContact CB-CE 4.23Å; C295-M377 HydrophobicContact CB-CG 4.43Å; C295-M377 HydrophobicContact CB-SD 3.8Å; C295-M377 WeakPolarHBondContact O-CE 3.34Å
296	F	91.8	Very high	92.6	Very high	23 Å²	23	31.4 Å²	31.4	10%	0.101	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7.2	177.7	-68.8	-82.4	0	0	0	112.7	T292 N293 A294 I335 I341 F351 M377	T292-F296 WeakPolarHBondContact O-CD2 3.23Å; N293-F296 PolarHBondContact O-N 3.22Å; A294-F296 PolarHBondContact O-N 3.2Å; F296-I335 HydrophobicContact CD2-CD1 3.69Å; F296-I335 HydrophobicContact CD2-CG1 4.2Å; F296-I335 HydrophobicContact CD2-CG2 4.06Å; F296-I335 HydrophobicContact CE1-CG2 4.41Å; F296-I335 HydrophobicContact CE2-CD1 4.14Å; F296-I335 HydrophobicContact CE2-CG1 4.14Å; F296-I335 HydrophobicContact CE2-CG2 3.63Å; F296-I335 HydrophobicContact CG-CD1 4.44Å; F296-I335 HydrophobicContact CZ-CG2 3.84Å; F296-I341 HydrophobicContact CB-CD1 4.12Å; F296-I341 HydrophobicContact CD1-CD1 3.49Å; F296-I341 VanDerWaalsContact CD1-CD1 3.49Å; F296-I341 HydrophobicContact CD1-CG1 4.03Å; F296-I341 HydrophobicContact CD2-CD1 4.24Å; F296-I341 HydrophobicContact CE1-CD1 3.95Å; F296-I341 HydrophobicContact CE1-CG2 4.23Å; F296-I341 HydrophobicContact CG-CD1 3.66Å; F296-F351 HydrophobicContact CE1-CZ 4.32Å; F296-F351 HydrophobicContact CE2-CE1 4.2Å; F296-F351 HydrophobicContact CE2-CZ 4.37Å; F296-F351 AromaticContact CZ-CE1 3.58Å; F296-F351 HydrophobicContact CZ-CE1 3.58Å; F296-F351 AromaticContact CZ-CZ 3.6Å; F296-F351 HydrophobicContact CZ-CZ 3.6Å; F296-M377 HydrophobicContact CD1-CE 4.35Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.32Å; F296-M377 HydrophobicContact CE1-CE 4.16Å; F296-M377 HydrophobicContact CE1-SD 3.69Å; F296-M377 HydrophobicContact CE2-SD 3.72Å; F296-M377 HydrophobicContact CZ-CE 4.39Å; F296-M377 HydrophobicContact CZ-SD 3.34Å; F296-M377 WeakPolarHBondContact CZ-SD 3.48Å
297	E	91.6	Very high	92.6	Very high	102 Å²	102	29.5 Å²	29.5	48%	0.477	17%	0.167	S	C	.	.	S	Bend	trans	-90.1	124.3	173	-64.2	-174.4	172	0	0	109.9	A294 A299 N300	A294-E297 WeakPolarHBondContact O-CB 3.3Å; A294-E297 PolarHBondContact O-N 3.29Å; E297-A299 PolarHBondContact O-N 3.35Å; E297-N300 PolarHBondContact O-N 2.87Å
298	P	90.4	Very high	92.3	Very high	47 Å²	47	33.9 Å²	33.9	31%	0.305	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-55.9	-24.6	178.1	-26.4	34.6	0	0	0	113.6	N300 Q301	P298-N300 PolarHBondContact O-N 3.11Å; P298-Q301 PolarHBondContact O-N 3.43Å
299	A	91.3	Very high	92	Very high	38 Å²	38	40.4 Å²	40.4	31%	0.314	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.4	177.5	0	0	0	0	0	114.5	I212 R215 E297	I212-A299 WeakPolarHBondContact CG1-O 3.28Å; R215-A299 PolarHBondContact NH1-O 3.13Å; E297-A299 PolarHBondContact O-N 3.35Å
300	N	92.9	Very high	91.8	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.064	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-106.1	3	-175.3	-59.7	-44.8	0	0	0	113.2	T271 A294 E297 P298	T271-N300 HydrophobicContact CG2-CB 3.87Å; T271-N300 WeakPolarHBondContact CG2-O 3.39Å; A294-N300 PolarHBondContact O-ND2 3.44Å; E297-N300 PolarHBondContact O-N 2.87Å; P298-N300 PolarHBondContact O-N 3.11Å
301	Q	92.8	Very high	91.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-77.6	146.5	-176.6	-72.8	173.1	-5.9	0	0	111.5	A208 L269 T271 P298 V303 C305	A208-Q301 WeakPolarHBondContact CB-O 3.48Å; L269-Q301 HydrophobicContact CD1-CB 4.41Å; L269-Q301 HydrophobicContact CD2-CB 4.36Å; L269-Q301 HydrophobicContact CD2-CG 3.93Å; T271-Q301 HydrophobicContact CG2-CG 4.07Å; T271-Q301 WeakPolarHBondContact OG1-CG 3.32Å; P298-Q301 PolarHBondContact O-N 3.43Å; Q301-V303 VanDerWaalsContact C-N 3.33Å; Q301-C305 PolarHBondContact OE1-O 3.08Å
302	M	90.8	Very high	91.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-87.4	-4.3	-179.3	-58.2	-58.4	157.8	0	0	113.2	D205 I209 I212 I234 A270	D205-M302 WeakPolarHBondContact CA-O 3.3Å; D205-M302 WeakPolarHBondContact CB-O 3.4Å; D205-M302 PolarHBondContact N-O 2.88Å; I209-M302 HydrophobicContact CG1-SD 3.91Å; I212-M302 HydrophobicContact CD1-CE 4.01Å; I212-M302 HydrophobicContact CD1-SD 4Å; I234-M302 HydrophobicContact CD1-CE 3.3Å; I234-M302 HydrophobicContact CD1-CG 3.85Å; I234-M302 HydrophobicContact CD1-SD 3.34Å; I234-M302 WeakPolarHBondContact CD1-SD 3.5Å; I234-M302 HydrophobicContact CG1-CE 4.01Å; A270-M302 HydrophobicContact CB-CB 4.28Å; A270-M302 HydrophobicContact CB-CG 4.06Å; A270-M302 VanDerWaalsContact O-CB 3.26Å; A270-M302 WeakPolarHBondContact O-CB 3.48Å; A270-M302 WeakPolarHBondContact O-CG 3.19Å; A270-M302 PolarHBondContact O-N 3.46Å
303	V	92	Very high	91.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.178	C	C	.	.	S	Bend	trans	-130.5	136.3	170.1	-176.7	0	0	0	0	107.8	M203 D205 L269 Q301 C305 A387	M203-V303 HydrophobicContact CB-CG2 3.82Å; M203-V303 WeakPolarHBondContact O-CG2 3.42Å; D205-V303 HydrophobicContact CB-CB 4.34Å; D205-V303 HydrophobicContact CB-CG1 4.37Å; D205-V303 HydrophobicContact CB-CG2 4.38Å; L269-V303 HydrophobicContact CD1-CB 3.48Å; L269-V303 VanDerWaalsContact CD1-CB 3.48Å; L269-V303 HydrophobicContact CD1-CG2 3.78Å; Q301-V303 VanDerWaalsContact C-N 3.33Å; V303-C305 PolarHBondContact O-N 3.05Å; V303-A387 HydrophobicContact CG1-CB 3.82Å
304	K	91.1	Very high	91	Very high	67 Å²	67	33.9 Å²	33.9	29%	0.291	17%	0.17	S	C	.	.			trans	-72.2	99.8	173.7	-71.3	-166.2	170.8	-169.7	0	110.5	D205 E207 A208 D211 R390	D205-K304 PolarHBondContact OD2-N 2.92Å; E207-K304 HydrophobicContact CB-CD 4.21Å; E207-K304 VanDerWaalsContact CD-NZ 3.29Å; E207-K304 HydrophobicContact CG-CD 4.11Å; E207-K304 IonicContact OE1-NZ 3.61Å; E207-K304 PolarHBondContact OE1-NZ 2.95Å; A208-K304 HydrophobicContact CB-CG 4.07Å; D211-K304 WeakPolarHBondContact OD2-CE 3.48Å; D211-K304 IonicContact OD2-NZ 2.82Å; D211-K304 PolarHBondContact OD2-NZ 3.18Å; K304-R390 VanDerWaalsContact O-CZ 3.24Å; K304-R390 PolarHBondContact O-NH1 2.96Å; K304-R390 PolarHBondContact O-NH2 2.79Å
305	C	90.4	Very high	90.9	Very high	11 Å²	11	33 Å²	33	7%	0.074	16%	0.163	C	C	.	.			trans	-147.8	163.6	164.3	54.5	0	0	0	0	108.8	Q301 V303 P307 A383 E386	Q301-C305 PolarHBondContact OE1-O 3.08Å; V303-C305 PolarHBondContact O-N 3.05Å; C305-P307 WeakPolarHBondContact O-CD 3.36Å; C305-A383 HydrophobicContact CB-CB 4.3Å; C305-A383 WeakPolarHBondContact CB-O 3.5Å; C305-E386 VanDerWaalsContact CA-OE2 3.32Å; C305-E386 WeakPolarHBondContact CA-OE2 3.44Å; C305-E386 HydrophobicContact CB-CB 4.32Å
306	D	89.7	Confident	90.7	Very high	39 Å²	39	33 Å²	33	21%	0.209	16%	0.163	C	C	.	.			trans	-102.8	102.6	169.2	-166.3	-15.1	0	0	0	110.6	R308 H309 A383 E386	D306-R308 PolarHBondContact O-N 3.22Å; D306-R308 WeakPolarHBondContact OD1-CB 3.48Å; D306-R308 WeakPolarHBondContact OD1-CD 3.26Å; D306-R308 WeakPolarHBondContact OD1-CG 3.44Å; D306-R308 PolarHBondContact OD1-N 3.27Å; D306-H309 PolarHBondContact O-N 2.89Å; D306-H309 IonicContact OD2-CE1 3.66Å; D306-H309 IonicContact OD2-NE2 3.83Å; D306-A383 WeakPolarHBondContact O-CB 3.25Å; D306-E386 PolarHBondContact N-OE2 2.82Å; D306-E386 VanDerWaalsContact N-OE2 3.1Å
307	P	87.4	Confident	90.8	Very high	6 Å²	6	32 Å²	32	4%	0.039	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-62.9	-10.4	177.9	-4.1	8.6	0	0	0	114.4	C305 G310 Y312 A383	C305-P307 WeakPolarHBondContact O-CD 3.36Å; P307-G310 PolarHBondContact O-N 2.97Å; P307-Y312 HydrophobicContact CB-CE2 4.14Å; P307-Y312 WeakPolarHBondContact CB-OH 3.4Å; P307-A383 HydrophobicContact CB-CB 4.46Å
308	R	87.6	Confident	90.8	Very high	156 Å²	156	27.6 Å²	27.6	59%	0.589	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-72.6	-20.5	173.7	-59.3	167.1	-177.2	169.9	2.2	112.2	D306 G310	D306-R308 PolarHBondContact O-N 3.22Å; D306-R308 WeakPolarHBondContact OD1-CB 3.48Å; D306-R308 WeakPolarHBondContact OD1-CD 3.26Å; D306-R308 WeakPolarHBondContact OD1-CG 3.44Å; D306-R308 PolarHBondContact OD1-N 3.27Å; R308-G310 VanDerWaalsContact C-N 3.34Å
309	H	88.6	Confident	91	Very high	140 Å²	140	25.4 Å²	25.4	65%	0.648	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	-89.8	-2.4	173.3	-56.4	153	0	0	0	112.8	D306 E386	D306-H309 PolarHBondContact O-N 2.89Å; D306-H309 IonicContact OD2-CE1 3.66Å; D306-H309 IonicContact OD2-NE2 3.83Å; H309-E386 IonicContact ND1-OE1 2.67Å; H309-E386 PolarHBondContact ND1-OE1 2.86Å
310	G	90.1	Very high	91.1	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	11%	0.11	C	C	.	.	S	Bend	trans	-121.1	-179.7	179	0	0	0	0	0	112.7	P307 R308 T382	P307-G310 PolarHBondContact O-N 2.97Å; R308-G310 VanDerWaalsContact C-N 3.34Å; G310-T382 VanDerWaalsContact CA-OG1 3.28Å; G310-T382 WeakPolarHBondContact CA-OG1 3.47Å
311	K	91.4	Very high	91.1	Very high	23 Å²	23	23.3 Å²	23.3	10%	0.1	11%	0.107	C	C	.	.			trans	-115.6	146.4	172.2	-66.5	-179.1	-179.2	169.1	0	109.5	Q342 V344 T381 T382 G436 D438	K311-Q342 WeakPolarHBondContact CA-O 2.96Å; K311-V344 HydrophobicContact CB-CG1 3.83Å; K311-V344 HydrophobicContact CD-CG1 4.41Å; K311-T381 VanDerWaalsContact O-CA 3.24Å; K311-T381 WeakPolarHBondContact O-CA 3.3Å; K311-T381 PolarHBondContact O-OG1 2.82Å; K311-T381 VanDerWaalsContact O-OG1 3.1Å; K311-T382 PolarHBondContact N-OG1 2.89Å; K311-T382 PolarHBondContact O-N 2.9Å; K311-G436 WeakPolarHBondContact CD-O 3.24Å; K311-G436 VanDerWaalsContact CE-O 3.27Å; K311-G436 WeakPolarHBondContact CE-O 3.25Å; K311-G436 PolarHBondContact NZ-O 2.83Å; K311-D438 IonicContact NZ-OD1 2.68Å; K311-D438 PolarHBondContact NZ-OD1 3.14Å; K311-D438 IonicContact NZ-OD2 2.79Å; K311-D438 PolarHBondContact NZ-OD2 2.94Å
312	Y	91.7	Very high	91	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.02	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.9	173.3	-71.8	-84.9	0	0	0	109.7	P307 I341 Q342 F343 V344	P307-Y312 HydrophobicContact CB-CE2 4.14Å; P307-Y312 WeakPolarHBondContact CB-OH 3.4Å; Y312-I341 HydrophobicContact CD2-CG2 4.02Å; Y312-I341 HydrophobicContact CE2-CG2 4.07Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.39Å; Y312-Q342 PolarHBondContact N-O 3.41Å; Y312-F343 VanDerWaalsContact O-CA 3.26Å; Y312-F343 WeakPolarHBondContact O-CA 3.34Å; Y312-F343 WeakPolarHBondContact O-CD1 3.23Å; Y312-V344 PolarHBondContact O-N 3.28Å
313	M	91.4	Very high	91.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-38.5	170.8	-66.5	165.7	-88.7	0	0	111.1	P261 I265 V344 W346 C347 N380 T382 Y432 V435	P261-M313 HydrophobicContact CG-CB 4.05Å; P261-M313 HydrophobicContact CG-CG 4.37Å; P261-M313 HydrophobicContact CG-SD 3.83Å; I265-M313 HydrophobicContact CG2-CE 3.63Å; I265-M313 HydrophobicContact CG2-SD 3.75Å; M313-V344 HydrophobicContact CG-CG1 4.06Å; M313-V344 HydrophobicContact CG-CG2 4.45Å; M313-W346 HydrophobicContact CB-CH2 4.08Å; M313-W346 HydrophobicContact CG-CH2 4.05Å; M313-W346 HydrophobicContact CG-CZ2 4.03Å; M313-C347 PolarHBondContact O-SG 3.49Å; M313-N380 HydrophobicContact CB-CB 4.47Å; M313-N380 HydrophobicContact CE-CB 4.38Å; M313-N380 WeakPolarHBondContact CE-OD1 3.36Å; M313-N380 PolarHBondContact N-O 2.97Å; M313-T382 HydrophobicContact CE-CG2 3.96Å; M313-Y432 HydrophobicContact CE-CE1 4.24Å; M313-V435 HydrophobicContact CG-CG1 3.87Å; M313-V435 HydrophobicContact SD-CG1 3.62Å
314	A	90.1	Very high	91.2	Very high	9 Å²	9	30.6 Å²	30.6	7%	0.074	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	149.3	-179.3	0	0	0	0	0	111.1	N258 L259 S379 N380	N258-A314 WeakPolarHBondContact O-CB 3.49Å; L259-A314 HydrophobicContact CD2-CB 4.26Å; A314-S379 CarbonylContact O-C 2.99Å; A314-S379 VanDerWaalsContact O-CA 3.24Å; A314-S379 WeakPolarHBondContact O-CA 3.38Å; A314-N380 HydrophobicContact CB-CB 4.26Å; A314-N380 PolarHBondContact N-O 2.96Å; A314-N380 PolarHBondContact O-N 3.22Å
315	C	91.3	Very high	91.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	127	175.5	-172.6	0	0	0	0	110.3	F343 G350 F351 K352 L378	C315-F343 HydrophobicContact CB-CE1 4.23Å; C315-F343 HydrophobicContact CB-CZ 4.11Å; C315-G350 CarbonylContact C-O 3.34Å; C315-G350 WeakPolarHBondContact CA-O 3.27Å; C315-G350 WeakPolarHBondContact CB-O 3.32Å; C315-G350 PolarHBondContact N-O 2.88Å; C315-F351 HydrophobicContact CB-CD1 4Å; C315-F351 HydrophobicContact CB-CE1 4Å; C315-F351 HydrophobicContact CB-CG 4.47Å; C315-F351 HydrophobicContact CB-CZ 4.45Å; C315-F351 CarbonylContact O-C 3.55Å; C315-F351 VanDerWaalsContact O-CA 3.29Å; C315-F351 WeakPolarHBondContact O-CA 3.42Å; C315-F351 WeakPolarHBondContact SG-CE1 3.48Å; C315-K352 PolarHBondContact O-N 3.14Å; C315-L378 CarbonylContact C-O 3.37Å; C315-L378 WeakPolarHBondContact CA-O 3.5Å
316	C	91	Very high	91.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.6	174.6	-170.3	0	0	0	0	109.1	L259 K352 M377 L378	L259-C316 HydrophobicContact CD2-CB 3.88Å; C316-K352 CarbonylContact C-O 3.52Å; C316-K352 WeakPolarHBondContact CA-O 3.38Å; C316-K352 HydrophobicContact CB-CB 4.18Å; C316-M377 CarbonylContact O-C 3.41Å; C316-M377 VanDerWaalsContact O-CA 3.3Å; C316-M377 WeakPolarHBondContact O-CA 3.46Å; C316-L378 HydrophobicContact CB-CB 4.35Å; C316-L378 PolarHBondContact N-O 3.34Å; C316-L378 PolarHBondContact O-N 2.89Å
317	L	93.1	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.8	177.7	-68.3	164.9	0	0	0	109	T292 Y319 I332 F351 K352 V353 G354 V375 M377	T292-L317 HydrophobicContact CG2-CD1 4.22Å; L317-Y319 HydrophobicContact CB-CD2 4.21Å; L317-Y319 HydrophobicContact CB-CE2 3.53Å; L317-Y319 HydrophobicContact CD1-CE2 4.33Å; L317-Y319 HydrophobicContact CG-CE2 4.47Å; L317-I332 HydrophobicContact CD1-CD1 3.86Å; L317-I332 HydrophobicContact CD1-CG1 3.78Å; L317-F351 HydrophobicContact CD1-CD1 3.72Å; L317-F351 HydrophobicContact CD1-CE1 3.9Å; L317-F351 HydrophobicContact CG-CD1 4.32Å; L317-K352 PolarHBondContact N-O 2.89Å; L317-V353 CarbonylContact O-C 3.56Å; L317-V353 WeakPolarHBondContact O-CA 3.46Å; L317-G354 PolarHBondContact O-N 3.21Å; L317-V375 HydrophobicContact CB-CG2 4.27Å; L317-V375 HydrophobicContact CD2-CG2 3.92Å; L317-M377 HydrophobicContact CD2-CB 3.74Å; L317-M377 HydrophobicContact CD2-CG 3.65Å; L317-M377 HydrophobicContact CD2-SD 4.03Å; L317-M377 HydrophobicContact CG-CG 4.48Å
318	L	93	Very high	91.9	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	96	-179.3	-57.2	175.5	0	0	0	109.3	V250 F255 V375 C376 L378	V250-L318 HydrophobicContact CG2-CD2 4.28Å; F255-L318 HydrophobicContact CE1-CD1 4.25Å; F255-L318 HydrophobicContact CZ-CD1 4.31Å; L318-V375 WeakPolarHBondContact O-CA 3.39Å; L318-C376 HydrophobicContact CB-CB 4.32Å; L318-C376 WeakPolarHBondContact CB-O 3.44Å; L318-C376 PolarHBondContact N-O 2.81Å; L318-C376 PolarHBondContact O-N 3.11Å; L318-L378 HydrophobicContact CD1-CD1 3.87Å; L318-L378 HydrophobicContact CD1-CG 4.42Å
319	Y	94.3	Very high	92.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	143.7	178.8	-67.4	-88.1	0	0	0	111.9	V288 I291 T292 L317 V323 V328 V353 G354 I355 N356 A374 V375	V288-Y319 HydrophobicContact CG1-CE1 3.91Å; I291-Y319 HydrophobicContact CD1-CD1 4.27Å; I291-Y319 HydrophobicContact CD1-CE1 4.29Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.15Å; T292-Y319 PolarHBondContact OG1-OH 2.94Å; L317-Y319 HydrophobicContact CB-CD2 4.21Å; L317-Y319 HydrophobicContact CB-CE2 3.53Å; L317-Y319 HydrophobicContact CD1-CE2 4.33Å; L317-Y319 HydrophobicContact CG-CE2 4.47Å; Y319-V323 HydrophobicContact CD1-CG1 3.97Å; Y319-V323 HydrophobicContact CD1-CG2 4.26Å; Y319-V323 HydrophobicContact CG-CG1 3.97Å; Y319-V328 HydrophobicContact CD1-CG2 4.43Å; Y319-V328 HydrophobicContact CD2-CG1 4.12Å; Y319-V328 HydrophobicContact CD2-CG2 4.04Å; Y319-V328 HydrophobicContact CE1-CG2 4.29Å; Y319-V328 HydrophobicContact CE2-CB 4.29Å; Y319-V328 HydrophobicContact CE2-CG1 3.39Å; Y319-V328 HydrophobicContact CE2-CG2 3.88Å; Y319-V328 HydrophobicContact CG-CG2 4.31Å; Y319-V353 HydrophobicContact CD2-CG1 4.09Å; Y319-V353 HydrophobicContact CE2-CG1 4.18Å; Y319-G354 PolarHBondContact N-O 2.94Å; Y319-I355 HydrophobicContact CD2-CG1 4.47Å; Y319-N356 PolarHBondContact O-N 3.19Å; Y319-A374 WeakPolarHBondContact CA-O 3.34Å; Y319-V375 HydrophobicContact CD1-CB 3.68Å; Y319-V375 HydrophobicContact CD1-CG2 3.84Å; Y319-V375 HydrophobicContact CD2-CG2 4.36Å; Y319-V375 HydrophobicContact CE1-CB 3.72Å; Y319-V375 HydrophobicContact CE1-CG1 4.33Å; Y319-V375 HydrophobicContact CE1-CG2 3.67Å; Y319-V375 HydrophobicContact CE2-CG2 4.22Å; Y319-V375 HydrophobicContact CG-CB 4.34Å; Y319-V375 HydrophobicContact CG-CG2 4.18Å
320	R	92.8	Very high	92.5	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.7	171.8	-65.8	-167	69.7	177.2	1.6	111.4	E27 S236 N356 P360 R373 A374	E27-R320 IonicContact OE1-CZ 2.65Å; E27-R320 IonicContact OE1-NH1 3.65Å; E27-R320 PolarHBondContact OE1-NH1 3.37Å; E27-R320 IonicContact OE1-NH2 2.71Å; E27-R320 IonicContact OE2-CZ 2.67Å; E27-R320 IonicContact OE2-NH1 3.82Å; E27-R320 PolarHBondContact OE2-NH1 3.41Å; E27-R320 IonicContact OE2-NH2 3.96Å; E27-R320 PolarHBondContact OE2-NH2 3.33Å; S236-R320 PolarHBondContact OG-NH1 2.9Å; R320-N356 CarbonylContact C-O 3.59Å; R320-N356 WeakPolarHBondContact CA-O 3.36Å; R320-N356 HydrophobicContact CG-CB 4.32Å; R320-P360 HydrophobicContact CB-CG 4.02Å; R320-R373 CarbonylContact O-C 3.6Å; R320-R373 WeakPolarHBondContact O-CA 3.42Å; R320-A374 PolarHBondContact N-O 3.25Å; R320-A374 PolarHBondContact O-N 3.21Å
321	G	92.2	Very high	92.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.6	-148.2	173.4	0	0	0	0	0	114.7	V323 N356 Q358 Q372	G321-V323 VanDerWaalsContact C-N 3.34Å; G321-V323 PolarHBondContact O-N 2.8Å; G321-N356 PolarHBondContact N-O 2.98Å; G321-Q358 PolarHBondContact N-O 3.27Å; G321-Q372 WeakPolarHBondContact CA-O 3.33Å
322	D	92.2	Very high	92.8	Very high	87 Å²	87	31.6 Å²	31.6	47%	0.465	18%	0.175	S	C	.	.	S	Bend	trans	-73.8	84.5	-177.8	176.1	39.2	0	0	0	111.1	Q372 R373	D322-Q372 PolarHBondContact N-O 3.1Å; D322-R373 PolarHBondContact O-NE 3.09Å; D322-R373 PolarHBondContact O-NH2 3.39Å; D322-R373 IonicContact OD2-CZ 3.67Å; D322-R373 IonicContact OD2-NH2 2.75Å; D322-R373 PolarHBondContact OD2-NH2 3.14Å
323	V	92.7	Very high	92.8	Very high	2 Å²	2	34 Å²	34	1%	0.012	20%	0.196	C	C	.	.			trans	-130.7	119.7	-175.2	179	0	0	0	0	110.2	V288 Y319 G321 V328 I355 R373	V288-V323 HydrophobicContact CG1-CG1 4.45Å; V288-V323 HydrophobicContact CG2-CG1 4.09Å; Y319-V323 HydrophobicContact CD1-CG1 3.97Å; Y319-V323 HydrophobicContact CD1-CG2 4.26Å; Y319-V323 HydrophobicContact CG-CG1 3.97Å; G321-V323 VanDerWaalsContact C-N 3.34Å; G321-V323 PolarHBondContact O-N 2.8Å; V323-V328 HydrophobicContact CG1-CG2 3.33Å; V323-I355 HydrophobicContact CB-CG2 4.32Å; V323-R373 HydrophobicContact CG2-CB 3.82Å
324	V	92.6	Very high	92.8	Very high	69 Å²	69	37.5 Å²	37.5	42%	0.418	22%	0.218	S	C	.	.			trans	-89.8	126.4	178.2	-177.5	0	0	0	0	109.6	K326 D327 V328	V324-K326 HydrophobicContact CG1-CB 4.11Å; V324-K326 PolarHBondContact O-N 3.3Å; V324-K326 VanDerWaalsContact O-N 3.11Å; V324-D327 HydrophobicContact CB-CB 4.48Å; V324-D327 PolarHBondContact O-N 3.24Å; V324-V328 PolarHBondContact O-N 3.28Å
325	P	92.2	Very high	92.9	Very high	57 Å²	57	37.1 Å²	37.1	37%	0.37	22%	0.215	S	C	.	.	H	α-helix	trans	-56.2	-32.3	-178.1	-27.4	33.3	0	0	0	114.5	D327 V328 N329 I355	P325-D327 VanDerWaalsContact C-N 3.34Å; P325-D327 PolarHBondContact O-N 3.08Å; P325-V328 PolarHBondContact O-N 2.82Å; P325-N329 PolarHBondContact O-N 3.44Å; P325-N329 VanDerWaalsContact O-N 3.08Å; P325-N329 PolarHBondContact O-ND2 3.15Å; P325-I355 HydrophobicContact CB-CD1 4.09Å; P325-I355 HydrophobicContact CG-CD1 3.88Å
326	K	93.9	Very high	92.7	Very high	165 Å²	165	42.3 Å²	42.3	72%	0.717	24%	0.237	S	C	*	.	H	α-helix	trans	-61.4	-42.1	175.7	-176.4	-175.9	174.1	-172.4	0	112.1	V324 V328 N329 A330	V324-K326 HydrophobicContact CG1-CB 4.11Å; V324-K326 PolarHBondContact O-N 3.3Å; V324-K326 VanDerWaalsContact O-N 3.11Å; K326-V328 VanDerWaalsContact C-N 3.35Å; K326-N329 PolarHBondContact O-N 3.36Å; K326-A330 PolarHBondContact O-N 3.05Å
327	D	94.6	Very high	92.5	Very high	72 Å²	72	47.7 Å²	47.7	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-72.1	-34.5	-177.9	-62.8	-16.9	0	0	0	110.8	V288 V324 P325 A330 A331	V288-D327 HydrophobicContact CB-CB 4.12Å; V288-D327 HydrophobicContact CG1-CB 4.42Å; V288-D327 HydrophobicContact CG2-CB 4.14Å; V324-D327 HydrophobicContact CB-CB 4.48Å; V324-D327 PolarHBondContact O-N 3.24Å; P325-D327 VanDerWaalsContact C-N 3.34Å; P325-D327 PolarHBondContact O-N 3.08Å; D327-A330 PolarHBondContact O-N 2.95Å; D327-A331 WeakPolarHBondContact O-CB 3.24Å; D327-A331 PolarHBondContact O-N 3.48Å
328	V	93.9	Very high	92.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-48.5	172.4	177.2	0	0	0	0	110.9	V288 Y319 V323 V324 P325 K326 A330 A331 I332 V353 I355	V288-V328 HydrophobicContact CG1-CB 4.49Å; V288-V328 HydrophobicContact CG1-CG2 3.8Å; Y319-V328 HydrophobicContact CD1-CG2 4.43Å; Y319-V328 HydrophobicContact CD2-CG1 4.12Å; Y319-V328 HydrophobicContact CD2-CG2 4.04Å; Y319-V328 HydrophobicContact CE1-CG2 4.29Å; Y319-V328 HydrophobicContact CE2-CB 4.29Å; Y319-V328 HydrophobicContact CE2-CG1 3.39Å; Y319-V328 HydrophobicContact CE2-CG2 3.88Å; Y319-V328 HydrophobicContact CG-CG2 4.31Å; V323-V328 HydrophobicContact CG1-CG2 3.33Å; V324-V328 PolarHBondContact O-N 3.28Å; P325-V328 PolarHBondContact O-N 2.82Å; K326-V328 VanDerWaalsContact C-N 3.35Å; V328-A330 VanDerWaalsContact C-N 3.3Å; V328-A330 PolarHBondContact O-N 3.07Å; V328-A331 PolarHBondContact O-N 3.16Å; V328-I332 HydrophobicContact CG1-CD1 3.71Å; V328-I332 HydrophobicContact CG1-CG1 4.36Å; V328-I332 WeakPolarHBondContact O-CG1 3.49Å; V328-I332 PolarHBondContact O-N 2.62Å; V328-V353 HydrophobicContact CG1-CG1 3.65Å; V328-V353 HydrophobicContact CG1-CG2 4.14Å; V328-I355 HydrophobicContact CG2-CD1 4.25Å
329	N	92.3	Very high	91.7	Very high	106 Å²	106	62.1 Å²	62.1	57%	0.567	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-39.2	178.1	-73.7	-33.1	0	0	0	112.1	P325 K326 A333	P325-N329 PolarHBondContact O-N 3.44Å; P325-N329 VanDerWaalsContact O-N 3.08Å; P325-N329 PolarHBondContact O-ND2 3.15Å; K326-N329 PolarHBondContact O-N 3.36Å; N329-A333 WeakPolarHBondContact O-CB 3.4Å; N329-A333 PolarHBondContact O-N 2.96Å
330	A	95.1	Very high	91.2	Very high	55 Å²	55	65.1 Å²	65.1	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-44.8	174.8	0	0	0	0	0	111.9	K326 D327 V328 A333 T334	K326-A330 PolarHBondContact O-N 3.05Å; D327-A330 PolarHBondContact O-N 2.95Å; V328-A330 VanDerWaalsContact C-N 3.3Å; V328-A330 PolarHBondContact O-N 3.07Å; A330-A333 PolarHBondContact O-N 3.44Å; A330-T334 PolarHBondContact O-N 3.46Å; A330-T334 PolarHBondContact O-OG1 2.79Å
331	A	95	Very high	90.9	Very high	4 Å²	4	65.9 Å²	65.9	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-46	177.2	0	0	0	0	0	111.8	A289 T292 D327 V328 A333 T334 I335	A289-A331 HydrophobicContact CB-CB 4.29Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; D327-A331 WeakPolarHBondContact O-CB 3.24Å; D327-A331 PolarHBondContact O-N 3.48Å; V328-A331 PolarHBondContact O-N 3.16Å; A331-A333 VanDerWaalsContact C-N 3.34Å; A331-A333 PolarHBondContact O-N 2.85Å; A331-T334 WeakPolarHBondContact O-CB 3.42Å; A331-T334 PolarHBondContact O-N 3.05Å; A331-I335 WeakPolarHBondContact O-CG1 3.5Å; A331-I335 PolarHBondContact O-N 3.11Å
332	I	92.8	Very high	90.6	Very high	10 Å²	10	70.9 Å²	70.9	5%	0.051	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-40.8	176.6	-67.3	169.6	0	0	0	111	L317 V328 T334 I335 K336 F351 V353	L317-I332 HydrophobicContact CD1-CD1 3.86Å; L317-I332 HydrophobicContact CD1-CG1 3.78Å; V328-I332 HydrophobicContact CG1-CD1 3.71Å; V328-I332 HydrophobicContact CG1-CG1 4.36Å; V328-I332 WeakPolarHBondContact O-CG1 3.49Å; V328-I332 PolarHBondContact O-N 2.62Å; I332-T334 VanDerWaalsContact C-N 3.29Å; I332-T334 PolarHBondContact O-N 3.49Å; I332-I335 PolarHBondContact O-N 3.14Å; I332-K336 HydrophobicContact CG2-CD 4.2Å; I332-K336 HydrophobicContact CG2-CG 4.37Å; I332-K336 WeakPolarHBondContact O-CG 3.44Å; I332-K336 PolarHBondContact O-N 3.38Å; I332-F351 HydrophobicContact CG1-CD1 4.47Å; I332-F351 HydrophobicContact CG2-CB 4.14Å; I332-F351 HydrophobicContact CG2-CD1 4.26Å; I332-F351 HydrophobicContact CG2-CD2 4.03Å; I332-F351 HydrophobicContact CG2-CE2 4.49Å; I332-F351 HydrophobicContact CG2-CG 3.89Å; I332-V353 HydrophobicContact CD1-CG2 3.37Å
333	A	91.8	Very high	90.5	Very high	56 Å²	56	69 Å²	69	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-41.7	175.6	0	0	0	0	0	111.3	N329 A330 A331 K336 T337	N329-A333 WeakPolarHBondContact O-CB 3.4Å; N329-A333 PolarHBondContact O-N 2.96Å; A330-A333 PolarHBondContact O-N 3.44Å; A331-A333 VanDerWaalsContact C-N 3.34Å; A331-A333 PolarHBondContact O-N 2.85Å; A333-K336 PolarHBondContact O-N 2.68Å; A333-T337 WeakPolarHBondContact O-CG2 3.31Å; A333-T337 PolarHBondContact O-N 3.31Å
334	T	92.6	Very high	90.2	Very high	76 Å²	76	69 Å²	69	47%	0.466	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-45.1	173.9	-55.7	0	0	0	0	112.1	A330 A331 I332 K336 T337	A330-T334 PolarHBondContact O-N 3.46Å; A330-T334 PolarHBondContact O-OG1 2.79Å; A331-T334 WeakPolarHBondContact O-CB 3.42Å; A331-T334 PolarHBondContact O-N 3.05Å; I332-T334 VanDerWaalsContact C-N 3.29Å; I332-T334 PolarHBondContact O-N 3.49Å; T334-K336 VanDerWaalsContact C-N 3.33Å; T334-K336 PolarHBondContact O-N 3.39Å; T334-T337 PolarHBondContact O-N 2.91Å; T334-T337 VanDerWaalsContact O-N 3.11Å; T334-T337 PolarHBondContact O-OG1 2.83Å
335	I	91.2	Very high	89.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-56.7	-45.2	177.1	-73.3	-60.2	0	0	0	111.6	T292 N293 F296 A331 I332 T337 K338 I341 F351	T292-I335 HydrophobicContact CG2-CG1 4.02Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.34Å; F296-I335 HydrophobicContact CD2-CD1 3.69Å; F296-I335 HydrophobicContact CD2-CG1 4.2Å; F296-I335 HydrophobicContact CD2-CG2 4.06Å; F296-I335 HydrophobicContact CE1-CG2 4.41Å; F296-I335 HydrophobicContact CE2-CD1 4.14Å; F296-I335 HydrophobicContact CE2-CG1 4.14Å; F296-I335 HydrophobicContact CE2-CG2 3.63Å; F296-I335 HydrophobicContact CG-CD1 4.44Å; F296-I335 HydrophobicContact CZ-CG2 3.84Å; A331-I335 WeakPolarHBondContact O-CG1 3.5Å; A331-I335 PolarHBondContact O-N 3.11Å; I332-I335 PolarHBondContact O-N 3.14Å; I335-T337 PolarHBondContact O-N 3.42Å; I335-T337 VanDerWaalsContact O-N 3.15Å; I335-K338 HydrophobicContact CD1-CD 4.25Å; I335-K338 WeakPolarHBondContact O-CB 3.38Å; I335-K338 PolarHBondContact O-N 2.68Å; I335-I341 HydrophobicContact CD1-CD1 4.4Å; I335-I341 HydrophobicContact CG2-CD1 3.51Å; I335-F351 HydrophobicContact CG2-CE1 4.36Å; I335-F351 HydrophobicContact CG2-CE2 4.37Å; I335-F351 HydrophobicContact CG2-CZ 3.65Å
336	K	87	Confident	89.3	Confident	111 Å²	111	71.2 Å²	71.2	48%	0.483	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-21.4	178.8	-74.1	-179.9	175.5	-172.7	0	114.2	I332 A333 T334 F351	I332-K336 HydrophobicContact CG2-CD 4.2Å; I332-K336 HydrophobicContact CG2-CG 4.37Å; I332-K336 WeakPolarHBondContact O-CG 3.44Å; I332-K336 PolarHBondContact O-N 3.38Å; A333-K336 PolarHBondContact O-N 2.68Å; T334-K336 VanDerWaalsContact C-N 3.33Å; T334-K336 PolarHBondContact O-N 3.39Å; K336-F351 VanDerWaalsContact CE-CD2 3.48Å; K336-F351 HydrophobicContact CG-CD2 4.33Å; K336-F351 HydrophobicContact CG-CE2 4.04Å
337	T	88.4	Confident	88.6	Confident	113 Å²	113	64.6 Å²	64.6	69%	0.693	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.9	176.3	66.2	0	0	0	0	113.5	A333 T334 I335 R339	A333-T337 WeakPolarHBondContact O-CG2 3.31Å; A333-T337 PolarHBondContact O-N 3.31Å; T334-T337 PolarHBondContact O-N 2.91Å; T334-T337 VanDerWaalsContact O-N 3.11Å; T334-T337 PolarHBondContact O-OG1 2.83Å; I335-T337 PolarHBondContact O-N 3.42Å; I335-T337 VanDerWaalsContact O-N 3.15Å; T337-R339 PolarHBondContact O-N 3.28Å
338	K	87.3	Confident	86.8	Confident	80 Å²	80	66.4 Å²	66.4	35%	0.348	35%	0.351	S	S	.	.			trans	-76.5	121.5	-179.3	-68.6	-178.2	170.1	178.7	0	110.5	N293 I335 S340 I341	N293-K338 PolarHBondContact OD1-NZ 3.21Å; I335-K338 HydrophobicContact CD1-CD 4.25Å; I335-K338 WeakPolarHBondContact O-CB 3.38Å; I335-K338 PolarHBondContact O-N 2.68Å; K338-S340 PolarHBondContact O-N 3.21Å; K338-S340 VanDerWaalsContact O-N 3.13Å; K338-I341 HydrophobicContact CB-CD1 4.3Å; K338-I341 HydrophobicContact CB-CG1 4.47Å; K338-I341 HydrophobicContact CD-CD1 4.39Å; K338-I341 PolarHBondContact O-N 3.07Å
339	R	81.9	Confident	85.3	Confident	233 Å²	233	71.4 Å²	71.4	88%	0.879	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.6	178.2	-65.3	-173.7	178.9	-165.3	-1.8	114.6	T337 I341	T337-R339 PolarHBondContact O-N 3.28Å; R339-I341 PolarHBondContact O-N 3.25Å
340	S	83.1	Confident	84.2	Confident	65 Å²	65	66.8 Å²	66.8	46%	0.455	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.4	180	60.9	0	0	0	0	113.8	K338	K338-S340 PolarHBondContact O-N 3.21Å; K338-S340 VanDerWaalsContact O-N 3.13Å
341	I	86.2	Confident	83.7	Confident	20 Å²	20	65.4 Å²	65.4	10%	0.103	34%	0.343	C	S	.	.			trans	-116.8	101.2	-179	-58.7	175.1	0	0	0	106.4	F296 Y312 I335 K338 R339 F343	F296-I341 HydrophobicContact CB-CD1 4.12Å; F296-I341 HydrophobicContact CD1-CD1 3.49Å; F296-I341 VanDerWaalsContact CD1-CD1 3.49Å; F296-I341 HydrophobicContact CD1-CG1 4.03Å; F296-I341 HydrophobicContact CD2-CD1 4.24Å; F296-I341 HydrophobicContact CE1-CD1 3.95Å; F296-I341 HydrophobicContact CE1-CG2 4.23Å; F296-I341 HydrophobicContact CG-CD1 3.66Å; Y312-I341 HydrophobicContact CD2-CG2 4.02Å; Y312-I341 HydrophobicContact CE2-CG2 4.07Å; I335-I341 HydrophobicContact CD1-CD1 4.4Å; I335-I341 HydrophobicContact CG2-CD1 3.51Å; K338-I341 HydrophobicContact CB-CD1 4.3Å; K338-I341 HydrophobicContact CB-CG1 4.47Å; K338-I341 HydrophobicContact CD-CD1 4.39Å; K338-I341 PolarHBondContact O-N 3.07Å; R339-I341 PolarHBondContact O-N 3.25Å; I341-F343 HydrophobicContact CG2-CD2 4.26Å; I341-F343 HydrophobicContact CG2-CE2 3.73Å
342	Q	86.9	Confident	83.4	Confident	106 Å²	106	69.9 Å²	69.9	50%	0.495	36%	0.361	S	S	.	.			trans	-107.6	125.9	-177.9	-61.8	-175.9	4	0	0	108.8	K311 Y312	K311-Q342 WeakPolarHBondContact CA-O 2.96Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.39Å; Y312-Q342 PolarHBondContact N-O 3.41Å
343	F	88.7	Confident	83.2	Confident	47 Å²	47	70.8 Å²	70.8	21%	0.206	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-96.8	154.4	169.7	-77.2	-100	0	0	0	109	Y312 C315 I341 F351	Y312-F343 VanDerWaalsContact O-CA 3.26Å; Y312-F343 WeakPolarHBondContact O-CA 3.34Å; Y312-F343 WeakPolarHBondContact O-CD1 3.23Å; C315-F343 HydrophobicContact CB-CE1 4.23Å; C315-F343 HydrophobicContact CB-CZ 4.11Å; I341-F343 HydrophobicContact CG2-CD2 4.26Å; I341-F343 HydrophobicContact CG2-CE2 3.73Å; F343-F351 HydrophobicContact CE2-CD2 4.31Å; F343-F351 AromaticContact CE2-CE2 3.52Å; F343-F351 HydrophobicContact CE2-CE2 3.52Å; F343-F351 HydrophobicContact CE2-CZ 4.1Å; F343-F351 AromaticContact CZ-CD2 3.87Å; F343-F351 HydrophobicContact CZ-CD2 3.87Å; F343-F351 AromaticContact CZ-CE2 3.35Å; F343-F351 HydrophobicContact CZ-CE2 3.35Å; F343-F351 AromaticContact CZ-CZ 3.83Å; F343-F351 HydrophobicContact CZ-CZ 3.83Å
344	V	87.1	Confident	83.1	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.024	35%	0.348	C	S	.	.			trans	-58.7	146.1	166.2	-62.3	0	0	0	0	110.5	K311 Y312 M313 W346 C347 V435	K311-V344 HydrophobicContact CB-CG1 3.83Å; K311-V344 HydrophobicContact CD-CG1 4.41Å; Y312-V344 PolarHBondContact O-N 3.28Å; M313-V344 HydrophobicContact CG-CG1 4.06Å; M313-V344 HydrophobicContact CG-CG2 4.45Å; V344-W346 VanDerWaalsContact C-N 3.32Å; V344-W346 HydrophobicContact CB-CD2 4.32Å; V344-W346 HydrophobicContact CB-CZ2 4.14Å; V344-W346 HydrophobicContact CG1-CZ2 4.29Å; V344-W346 HydrophobicContact CG2-CD2 3.66Å; V344-W346 HydrophobicContact CG2-CE3 4.01Å; V344-W346 HydrophobicContact CG2-CG 4.24Å; V344-W346 HydrophobicContact CG2-CH2 3.87Å; V344-W346 HydrophobicContact CG2-CZ2 3.53Å; V344-W346 HydrophobicContact CG2-CZ3 4.11Å; V344-W346 PolarHBondContact O-N 3.05Å; V344-C347 HydrophobicContact CG2-CB 3.5Å; V344-C347 PolarHBondContact O-N 3.12Å; V344-C347 VanDerWaalsContact O-N 3.11Å; V344-V435 HydrophobicContact CG1-CG1 4.3Å
345	D	83.8	Confident	83	Confident	64 Å²	64	65.3 Å²	65.3	34%	0.342	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-35.9	-175	52.8	11.1	0	0	0	113.8	C347 S439	D345-C347 VanDerWaalsContact C-N 3.25Å; D345-C347 PolarHBondContact O-N 3.26Å; D345-S439 VanDerWaalsContact OD2-CB 3.26Å; D345-S439 WeakPolarHBondContact OD2-CB 3.47Å; D345-S439 PolarHBondContact OD2-N 3.47Å; D345-S439 PolarHBondContact OD2-OG 2.84Å
346	W	82.7	Confident	82.9	Confident	107 Å²	107	65.8 Å²	65.8	41%	0.405	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.6	178.3	54.7	-99.9	0	0	0	113.6	P261 Y262 M313 V344 P348 V435	P261-W346 HydrophobicContact CB-CH2 3.51Å; P261-W346 HydrophobicContact CB-CZ3 3.92Å; P261-W346 HydrophobicContact CG-CH2 3.86Å; Y262-W346 HydrophobicContact CE2-CH2 4.18Å; Y262-W346 AromaticContact CE2-CZ2 3.85Å; Y262-W346 HydrophobicContact CE2-CZ2 3.85Å; M313-W346 HydrophobicContact CB-CH2 4.08Å; M313-W346 HydrophobicContact CG-CH2 4.05Å; M313-W346 HydrophobicContact CG-CZ2 4.03Å; V344-W346 VanDerWaalsContact C-N 3.32Å; V344-W346 HydrophobicContact CB-CD2 4.32Å; V344-W346 HydrophobicContact CB-CZ2 4.14Å; V344-W346 HydrophobicContact CG1-CZ2 4.29Å; V344-W346 HydrophobicContact CG2-CD2 3.66Å; V344-W346 HydrophobicContact CG2-CE3 4.01Å; V344-W346 HydrophobicContact CG2-CG 4.24Å; V344-W346 HydrophobicContact CG2-CH2 3.87Å; V344-W346 HydrophobicContact CG2-CZ2 3.53Å; V344-W346 HydrophobicContact CG2-CZ3 4.11Å; V344-W346 PolarHBondContact O-N 3.05Å; W346-P348 WeakPolarHBondContact O-CD 3.36Å; W346-V435 HydrophobicContact CZ2-CG1 4.16Å
347	C	77.7	Confident	83	Confident	26 Å²	26	66.5 Å²	66.5	18%	0.176	33%	0.332	C	S	.	.			trans	-120.1	70.6	175.2	-167.3	0	0	0	0	112.8	M313 V344 D345 T349	M313-C347 PolarHBondContact O-SG 3.49Å; V344-C347 HydrophobicContact CG2-CB 3.5Å; V344-C347 PolarHBondContact O-N 3.12Å; V344-C347 VanDerWaalsContact O-N 3.11Å; D345-C347 VanDerWaalsContact C-N 3.25Å; D345-C347 PolarHBondContact O-N 3.26Å; C347-T349 VanDerWaalsContact C-N 3.27Å; C347-T349 PolarHBondContact O-N 3.48Å
348	P	57.8	Low	83	Confident	110 Å²	110	65 Å²	65	71%	0.714	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.7	-174.1	25.1	-33.2	0	0	0	115.1	W346	W346-P348 WeakPolarHBondContact O-CD 3.36Å
349	T	62.1	Low	83.1	Confident	107 Å²	107	64.6 Å²	64.6	66%	0.656	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	58	-178.6	51.5	0	0	0	0	113.1	C347 F351	C347-T349 VanDerWaalsContact C-N 3.27Å; C347-T349 PolarHBondContact O-N 3.48Å; T349-F351 VanDerWaalsContact C-N 3.35Å; T349-F351 PolarHBondContact O-N 3.43Å; T349-F351 VanDerWaalsContact O-N 3.16Å
350	G	69.1	Low	83.6	Confident	9 Å²	9	54 Å²	54	9%	0.093	28%	0.283	C	S	.	.			trans	-80.1	18.8	-169.3	0	0	0	0	0	118.6	C315	C315-G350 CarbonylContact C-O 3.34Å; C315-G350 WeakPolarHBondContact CA-O 3.27Å; C315-G350 WeakPolarHBondContact CB-O 3.32Å; C315-G350 PolarHBondContact N-O 2.88Å
351	F	85.8	Confident	84.1	Confident	25 Å²	25	52.9 Å²	52.9	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.2	178.7	-78.9	-88.5	0	0	0	112.8	F296 C315 L317 I332 I335 K336 F343 T349	F296-F351 HydrophobicContact CE1-CZ 4.32Å; F296-F351 HydrophobicContact CE2-CE1 4.2Å; F296-F351 HydrophobicContact CE2-CZ 4.37Å; F296-F351 AromaticContact CZ-CE1 3.58Å; F296-F351 HydrophobicContact CZ-CE1 3.58Å; F296-F351 AromaticContact CZ-CZ 3.6Å; F296-F351 HydrophobicContact CZ-CZ 3.6Å; C315-F351 HydrophobicContact CB-CD1 4Å; C315-F351 HydrophobicContact CB-CE1 4Å; C315-F351 HydrophobicContact CB-CG 4.47Å; C315-F351 HydrophobicContact CB-CZ 4.45Å; C315-F351 CarbonylContact O-C 3.55Å; C315-F351 VanDerWaalsContact O-CA 3.29Å; C315-F351 WeakPolarHBondContact O-CA 3.42Å; C315-F351 WeakPolarHBondContact SG-CE1 3.48Å; L317-F351 HydrophobicContact CD1-CD1 3.72Å; L317-F351 HydrophobicContact CD1-CE1 3.9Å; L317-F351 HydrophobicContact CG-CD1 4.32Å; I332-F351 HydrophobicContact CG1-CD1 4.47Å; I332-F351 HydrophobicContact CG2-CB 4.14Å; I332-F351 HydrophobicContact CG2-CD1 4.26Å; I332-F351 HydrophobicContact CG2-CD2 4.03Å; I332-F351 HydrophobicContact CG2-CE2 4.49Å; I332-F351 HydrophobicContact CG2-CG 3.89Å; I335-F351 HydrophobicContact CG2-CE1 4.36Å; I335-F351 HydrophobicContact CG2-CE2 4.37Å; I335-F351 HydrophobicContact CG2-CZ 3.65Å; K336-F351 VanDerWaalsContact CE-CD2 3.48Å; K336-F351 HydrophobicContact CG-CD2 4.33Å; K336-F351 HydrophobicContact CG-CE2 4.04Å; F343-F351 HydrophobicContact CE2-CD2 4.31Å; F343-F351 AromaticContact CE2-CE2 3.52Å; F343-F351 HydrophobicContact CE2-CE2 3.52Å; F343-F351 HydrophobicContact CE2-CZ 4.1Å; F343-F351 AromaticContact CZ-CD2 3.87Å; F343-F351 HydrophobicContact CZ-CD2 3.87Å; F343-F351 AromaticContact CZ-CE2 3.35Å; F343-F351 HydrophobicContact CZ-CE2 3.35Å; F343-F351 AromaticContact CZ-CZ 3.83Å; F343-F351 HydrophobicContact CZ-CZ 3.83Å; T349-F351 VanDerWaalsContact C-N 3.35Å; T349-F351 PolarHBondContact O-N 3.43Å; T349-F351 VanDerWaalsContact O-N 3.16Å
352	K	87.9	Confident	84.3	Confident	98 Å²	98	53 Å²	53	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.5	168	-58.6	-65.6	-178.3	164.6	0	109.6	N258 C315 C316 L317	N258-K352 HydrophobicContact CB-CG 4.17Å; N258-K352 WeakPolarHBondContact OD1-CE 3.45Å; C315-K352 PolarHBondContact O-N 3.14Å; C316-K352 CarbonylContact C-O 3.52Å; C316-K352 WeakPolarHBondContact CA-O 3.38Å; C316-K352 HydrophobicContact CB-CB 4.18Å; L317-K352 PolarHBondContact N-O 2.89Å
353	V	88.8	Confident	84.5	Confident	29 Å²	29	48.4 Å²	48.4	18%	0.176	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	110.5	-171.4	178.6	0	0	0	0	110.6	L248 L317 Y319 V328 I332 I355	L248-V353 WeakPolarHBondContact CD2-O 3.5Å; L317-V353 CarbonylContact O-C 3.56Å; L317-V353 WeakPolarHBondContact O-CA 3.46Å; Y319-V353 HydrophobicContact CD2-CG1 4.09Å; Y319-V353 HydrophobicContact CE2-CG1 4.18Å; V328-V353 HydrophobicContact CG1-CG1 3.65Å; V328-V353 HydrophobicContact CG1-CG2 4.14Å; I332-V353 HydrophobicContact CD1-CG2 3.37Å; V353-I355 HydrophobicContact CG1-CD1 4.24Å; V353-I355 HydrophobicContact CG1-CG1 3.98Å
354	G	88.5	Confident	84.5	Confident	5 Å²	5	50.8 Å²	50.8	5%	0.052	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.2	167.1	0	0	0	0	0	110.7	L317 Y319	L317-G354 PolarHBondContact O-N 3.21Å; Y319-G354 PolarHBondContact N-O 2.94Å
355	I	90.3	Very high	84.4	Confident	13 Å²	13	54.1 Å²	54.1	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.5	173	-55.2	175.4	0	0	0	109.4	A247 Y319 V323 P325 V328 V353 Y357	A247-I355 PolarHBondContact N-O 3.24Å; A247-I355 VanDerWaalsContact N-O 3.17Å; Y319-I355 HydrophobicContact CD2-CG1 4.47Å; V323-I355 HydrophobicContact CB-CG2 4.32Å; P325-I355 HydrophobicContact CB-CD1 4.09Å; P325-I355 HydrophobicContact CG-CD1 3.88Å; V328-I355 HydrophobicContact CG2-CD1 4.25Å; V353-I355 HydrophobicContact CG1-CD1 4.24Å; V353-I355 HydrophobicContact CG1-CG1 3.98Å; I355-Y357 HydrophobicContact CG2-CD1 4.21Å; I355-Y357 HydrophobicContact CG2-CE1 3.87Å
356	N	89.8	Confident	84.5	Confident	9 Å²	9	52 Å²	52	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.2	168.6	-179.5	-21.2	0	0	0	109	F244 Y319 R320 G321 Q358	F244-N356 WeakPolarHBondContact CB-ND2 3.45Å; F244-N356 VanDerWaalsContact CD2-ND2 3.3Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.25Å; Y319-N356 PolarHBondContact O-N 3.19Å; R320-N356 CarbonylContact C-O 3.59Å; R320-N356 WeakPolarHBondContact CA-O 3.36Å; R320-N356 HydrophobicContact CG-CB 4.32Å; G321-N356 PolarHBondContact N-O 2.98Å; N356-Q358 VanDerWaalsContact C-N 3.25Å; N356-Q358 PolarHBondContact O-N 3.06Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.27Å; N356-Q358 PolarHBondContact OD1-N 2.68Å
357	Y	88.4	Confident	84.8	Confident	126 Å²	126	49 Å²	49	49%	0.494	30%	0.295	S	S	.	.			trans	-78.2	-8.1	-175.6	-63.1	-69.5	0	0	0	114.1	A247 I355	A247-Y357 HydrophobicContact CB-CE2 3.98Å; I355-Y357 HydrophobicContact CG2-CD1 4.21Å; I355-Y357 HydrophobicContact CG2-CE1 3.87Å
358	Q	88.4	Confident	85.4	Confident	82 Å²	82	49 Å²	49	38%	0.383	29%	0.293	S	S	.	.	S	Bend	trans	-73.4	130.1	174.5	-64.2	-166.6	-2.5	0	0	110.8	F244 G321 N356	F244-Q358 VanDerWaalsContact CD1-NE2 3.26Å; G321-Q358 PolarHBondContact N-O 3.27Å; N356-Q358 VanDerWaalsContact C-N 3.25Å; N356-Q358 PolarHBondContact O-N 3.06Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.27Å; N356-Q358 PolarHBondContact OD1-N 2.68Å
359	P	90.1	Very high	87	Confident	71 Å²	71	44.1 Å²	44.1	46%	0.461	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-64.6	148	178.4	27.7	-33.9	0	0	0	110.9	T361	P359-T361 PolarHBondContact O-N 3.4Å
360	P	91.9	Very high	88.3	Confident	10 Å²	10	47.4 Å²	47.4	7%	0.065	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-56	129.7	172	-23.1	33	0	0	0	111.2	R320 V371 A374	R320-P360 HydrophobicContact CB-CG 4.02Å; P360-V371 HydrophobicContact CB-CG2 4.38Å; P360-V371 HydrophobicContact CG-CG2 4.14Å; P360-A374 HydrophobicContact CG-CB 3.57Å
361	T	93.7	Very high	89.3	Confident	43 Å²	43	48.3 Å²	48.3	26%	0.264	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-90.2	140.7	175.1	-62.9	0	0	0	0	109.2	L23 L26 E27 Q233 P359	L23-T361 HydrophobicContact CD1-CG2 4.3Å; L23-T361 WeakPolarHBondContact CD1-O 3.44Å; L26-T361 HydrophobicContact CB-CG2 3.96Å; E27-T361 HydrophobicContact CG-CG2 4.26Å; Q233-T361 PolarHBondContact NE2-O 3.01Å; Q233-T361 PolarHBondContact OE1-O 2.84Å; P359-T361 PolarHBondContact O-N 3.4Å
362	V	90.4	Very high	89.5	Confident	22 Å²	22	52.4 Å²	52.4	13%	0.133	29%	0.29	C	S	.	.			trans	-113.8	143.7	174.3	-58.6	0	0	0	0	109.9	L368 K370	V362-L368 HydrophobicContact CG1-CB 4.2Å; V362-K370 HydrophobicContact CG2-CD 4.35Å; V362-K370 HydrophobicContact CG2-CG 3.45Å; V362-K370 VanDerWaalsContact CG2-CG 3.45Å
363	V	91	Very high	89.8	Confident	9 Å²	9	50 Å²	50	6%	0.055	28%	0.279	C	S	.	.			trans	-67.3	130.9	177.3	-178.8	0	0	0	0	109.3	E22 L23 L26 G365 G366	E22-V363 HydrophobicContact CG-CG1 4.26Å; E22-V363 HydrophobicContact CG-CG2 4.44Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.43Å; L23-V363 HydrophobicContact CD1-CG2 4.37Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.25Å; L26-V363 HydrophobicContact CD1-CG2 4.06Å; V363-G365 PolarHBondContact O-N 3.08Å; V363-G366 WeakPolarHBondContact O-CA 3.2Å; V363-G366 PolarHBondContact O-N 3.2Å
364	P	89.4	Confident	90.1	Very high	98 Å²	98	48.6 Å²	48.6	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130.3	172.5	-25.8	34.7	0	0	0	111.8	G366	P364-G366 PolarHBondContact O-N 3.39Å
365	G	84.8	Confident	90.5	Very high	73 Å²	73	48.3 Å²	48.3	75%	0.753	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	16.6	-173.3	0	0	0	0	0	113.9	R229 V363	R229-G365 PolarHBondContact NH1-O 3.35Å; V363-G365 PolarHBondContact O-N 3.08Å
366	G	87.1	Confident	90.7	Very high	19 Å²	19	47.7 Å²	47.7	20%	0.196	27%	0.265	C	S	.	.			trans	-80.5	164.4	166.5	0	0	0	0	0	112.7	V363 P364 L368	V363-G366 WeakPolarHBondContact O-CA 3.2Å; V363-G366 PolarHBondContact O-N 3.2Å; P364-G366 PolarHBondContact O-N 3.39Å; G366-L368 VanDerWaalsContact C-N 3.35Å
367	D	88.9	Confident	90.9	Very high	45 Å²	45	47.3 Å²	47.3	24%	0.241	26%	0.262	C	S	.	.	S	Bend	trans	-84.1	-13.1	-175.7	-47.9	-67.4	0	0	0	113	L217 I219 N226 S277 A278	L217-D367 HydrophobicContact CD1-CB 4.04Å; I219-D367 HydrophobicContact CD1-CB 4Å; N226-D367 PolarHBondContact ND2-OD1 3.11Å; N226-D367 PolarHBondContact ND2-OD2 3.37Å; S277-D367 CarbonylContact C-O 3.5Å; S277-D367 WeakPolarHBondContact CA-O 3.09Å; A278-D367 PolarHBondContact N-O 3.09Å
368	L	89.6	Confident	91.2	Very high	25 Å²	25	41.3 Å²	41.3	13%	0.131	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-88.8	135.6	-175.6	-72.4	167.9	0	0	0	112.5	L217 L230 Q233 V275 V362 G366	L217-L368 HydrophobicContact CD2-CD2 3.69Å; L217-L368 HydrophobicContact CD2-CG 4.47Å; L230-L368 HydrophobicContact CD1-CD1 4.24Å; Q233-L368 HydrophobicContact CG-CD1 3.65Å; V275-L368 HydrophobicContact CG1-CD2 3.91Å; V362-L368 HydrophobicContact CG1-CB 4.2Å; G366-L368 VanDerWaalsContact C-N 3.35Å
369	A	90.2	Very high	91.3	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-65.9	147.4	170.4	0	0	0	0	0	112.2	I276 A281 V371	I276-A369 HydrophobicContact CB-CB 4.19Å; I276-A369 HydrophobicContact CG2-CB 4.15Å; I276-A369 PolarHBondContact O-N 2.93Å; A281-A369 HydrophobicContact CB-CB 3.52Å; A369-V371 PolarHBondContact O-N 2.89Å
370	K	90.3	Very high	91.5	Very high	176 Å²	176	34 Å²	34	77%	0.765	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-67.7	123	165.1	-71.4	-176.5	-180	-175.5	0	109.2	V362	V362-K370 HydrophobicContact CG2-CD 4.35Å; V362-K370 HydrophobicContact CG2-CG 3.45Å; V362-K370 VanDerWaalsContact CG2-CG 3.45Å
371	V	90.9	Very high	91.6	Very high	28 Å²	28	33.5 Å²	33.5	17%	0.17	20%	0.195	C	C	.	.			trans	-119	147.4	179	-63.7	0	0	0	0	110.6	P274 I276 P360 A369 R373 A374	P274-V371 HydrophobicContact CG-CB 4.49Å; P274-V371 HydrophobicContact CG-CG1 4.1Å; I276-V371 HydrophobicContact CD1-CG1 4.39Å; P360-V371 HydrophobicContact CB-CG2 4.38Å; P360-V371 HydrophobicContact CG-CG2 4.14Å; A369-V371 PolarHBondContact O-N 2.89Å; V371-R373 VanDerWaalsContact C-N 3.29Å; V371-A374 HydrophobicContact CG2-CB 4.39Å
372	Q	90.1	Very high	91.7	Very high	111 Å²	111	32.2 Å²	32.2	52%	0.519	19%	0.187	S	C	.	.	S	Bend	trans	-74.3	-24.9	178.1	-67.4	-63.7	-27.7	0	0	112.4	G321 D322	G321-Q372 WeakPolarHBondContact CA-O 3.33Å; D322-Q372 PolarHBondContact N-O 3.1Å
373	R	93.2	Very high	91.8	Very high	47 Å²	47	31.3 Å²	31.3	18%	0.177	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.7	-176.8	58.6	-171.4	76.3	169.3	-0.9	111.3	P274 L286 I291 R320 D322 V323 V371	P274-R373 WeakPolarHBondContact CD-O 3.17Å; L286-R373 WeakPolarHBondContact O-CD 3.43Å; I291-R373 HydrophobicContact CD1-CB 4.33Å; I291-R373 HydrophobicContact CD1-CG 4.03Å; R320-R373 CarbonylContact O-C 3.6Å; R320-R373 WeakPolarHBondContact O-CA 3.42Å; D322-R373 PolarHBondContact O-NE 3.09Å; D322-R373 PolarHBondContact O-NH2 3.39Å; D322-R373 IonicContact OD2-CZ 3.67Å; D322-R373 IonicContact OD2-NH2 2.75Å; D322-R373 PolarHBondContact OD2-NH2 3.14Å; V323-R373 HydrophobicContact CG2-CB 3.82Å; V371-R373 VanDerWaalsContact C-N 3.29Å
374	A	95.3	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	166.2	171.8	0	0	0	0	0	110.2	Y272 A273 Y319 R320 P360 V371	Y272-A374 HydrophobicContact CE2-CB 4.06Å; Y272-A374 VanDerWaalsContact OH-CB 3.31Å; Y272-A374 WeakPolarHBondContact OH-CB 3.15Å; A273-A374 CarbonylContact O-C 3.55Å; A273-A374 WeakPolarHBondContact O-CA 3.49Å; Y319-A374 WeakPolarHBondContact CA-O 3.34Å; R320-A374 PolarHBondContact N-O 3.25Å; R320-A374 PolarHBondContact O-N 3.21Å; P360-A374 HydrophobicContact CG-CB 3.57Å; V371-A374 HydrophobicContact CG2-CB 4.39Å
375	V	96	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.5	177.1	56.2	0	0	0	0	109.6	A273 I291 C295 L317 L318 Y319	A273-V375 HydrophobicContact CB-CG1 4.25Å; A273-V375 PolarHBondContact N-O 2.65Å; A273-V375 PolarHBondContact O-N 3.2Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.25Å; I291-V375 HydrophobicContact CD1-CG1 3.92Å; I291-V375 HydrophobicContact CG1-CG1 3.79Å; C295-V375 WeakPolarHBondContact SG-CG1 3.29Å; L317-V375 HydrophobicContact CB-CG2 4.27Å; L317-V375 HydrophobicContact CD2-CG2 3.92Å; L318-V375 WeakPolarHBondContact O-CA 3.39Å; Y319-V375 HydrophobicContact CD1-CB 3.68Å; Y319-V375 HydrophobicContact CD1-CG2 3.84Å; Y319-V375 HydrophobicContact CD2-CG2 4.36Å; Y319-V375 HydrophobicContact CE1-CB 3.72Å; Y319-V375 HydrophobicContact CE1-CG1 4.33Å; Y319-V375 HydrophobicContact CE1-CG2 3.67Å; Y319-V375 HydrophobicContact CE2-CG2 4.22Å; Y319-V375 HydrophobicContact CG-CB 4.34Å; Y319-V375 HydrophobicContact CG-CG2 4.18Å
376	C	95.3	Very high	92.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.8	166.5	-174.7	0	0	0	0	107.9	T271 Y272 L318	T271-C376 CarbonylContact O-C 3.59Å; T271-C376 WeakPolarHBondContact O-CA 3.41Å; Y272-C376 HydrophobicContact CD2-CB 4.1Å; L318-C376 HydrophobicContact CB-CB 4.32Å; L318-C376 WeakPolarHBondContact CB-O 3.44Å; L318-C376 PolarHBondContact N-O 2.81Å; L318-C376 PolarHBondContact O-N 3.11Å
377	M	94.9	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.6	171.6	-171.9	177.9	77.3	0	0	109.5	A270 T271 C295 F296 C316 L317	A270-M377 CarbonylContact C-O 3.56Å; A270-M377 WeakPolarHBondContact CA-O 3.43Å; T271-M377 PolarHBondContact N-O 3.11Å; T271-M377 PolarHBondContact O-N 2.71Å; C295-M377 HydrophobicContact CB-CB 3.81Å; C295-M377 HydrophobicContact CB-CE 4.23Å; C295-M377 HydrophobicContact CB-CG 4.43Å; C295-M377 HydrophobicContact CB-SD 3.8Å; C295-M377 WeakPolarHBondContact O-CE 3.34Å; F296-M377 HydrophobicContact CD1-CE 4.35Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.32Å; F296-M377 HydrophobicContact CE1-CE 4.16Å; F296-M377 HydrophobicContact CE1-SD 3.69Å; F296-M377 HydrophobicContact CE2-SD 3.72Å; F296-M377 HydrophobicContact CZ-CE 4.39Å; F296-M377 HydrophobicContact CZ-SD 3.34Å; F296-M377 WeakPolarHBondContact CZ-SD 3.48Å; C316-M377 CarbonylContact O-C 3.41Å; C316-M377 VanDerWaalsContact O-CA 3.3Å; C316-M377 WeakPolarHBondContact O-CA 3.46Å; L317-M377 HydrophobicContact CD2-CB 3.74Å; L317-M377 HydrophobicContact CD2-CG 3.65Å; L317-M377 HydrophobicContact CD2-SD 4.03Å; L317-M377 HydrophobicContact CG-CG 4.48Å
378	L	92.8	Very high	93.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.6	168.3	-59.3	174.9	0	0	0	107.6	F202 I238 F255 L259 L269 A270 C315 C316 L318	F202-L378 HydrophobicContact CD1-CD2 3.94Å; F202-L378 HydrophobicContact CE1-CD1 3.79Å; F202-L378 HydrophobicContact CE1-CD2 3.73Å; F202-L378 HydrophobicContact CE1-CG 4.24Å; F202-L378 HydrophobicContact CZ-CD1 4.05Å; I238-L378 HydrophobicContact CD1-CD2 3.8Å; I238-L378 HydrophobicContact CG1-CD1 4.18Å; I238-L378 HydrophobicContact CG1-CD2 3.96Å; I238-L378 HydrophobicContact CG1-CG 4.45Å; I238-L378 HydrophobicContact CG2-CD1 4.35Å; F255-L378 HydrophobicContact CD1-CD1 3.98Å; F255-L378 HydrophobicContact CE1-CD1 3.44Å; F255-L378 VanDerWaalsContact CE1-CD1 3.44Å; F255-L378 HydrophobicContact CZ-CD1 4.46Å; L259-L378 HydrophobicContact CD1-CB 3.79Å; L259-L378 HydrophobicContact CD1-CD1 3.89Å; L259-L378 HydrophobicContact CD2-CB 4.15Å; L259-L378 WeakPolarHBondContact CD2-O 3.17Å; L269-L378 CarbonylContact O-C 3.58Å; L269-L378 WeakPolarHBondContact O-CA 3.42Å; A270-L378 HydrophobicContact CB-CD2 3.9Å; C315-L378 CarbonylContact C-O 3.37Å; C315-L378 WeakPolarHBondContact CA-O 3.5Å; C316-L378 HydrophobicContact CB-CB 4.35Å; C316-L378 PolarHBondContact N-O 3.34Å; C316-L378 PolarHBondContact O-N 2.89Å; L318-L378 HydrophobicContact CD1-CD1 3.87Å; L318-L378 HydrophobicContact CD1-CG 4.42Å
379	S	92.4	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.2	-176.2	56.9	0	0	0	0	110.8	L269 A314	L269-S379 WeakPolarHBondContact CB-O 3.04Å; L269-S379 PolarHBondContact N-O 3.49Å; L269-S379 PolarHBondContact O-N 3.48Å; A314-S379 CarbonylContact O-C 2.99Å; A314-S379 VanDerWaalsContact O-CA 3.24Å; A314-S379 WeakPolarHBondContact O-CA 3.38Å
380	N	93.3	Very high	93.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.5	170	-162	-15.1	0	0	0	108.2	L259 I265 M313 A314	L259-N380 VanDerWaalsContact O-CB 3.22Å; L259-N380 WeakPolarHBondContact O-CB 3.44Å; L259-N380 PolarHBondContact O-ND2 2.95Å; I265-N380 PolarHBondContact O-ND2 3.38Å; M313-N380 HydrophobicContact CB-CB 4.47Å; M313-N380 HydrophobicContact CE-CB 4.38Å; M313-N380 WeakPolarHBondContact CE-OD1 3.36Å; M313-N380 PolarHBondContact N-O 2.97Å; A314-N380 HydrophobicContact CB-CB 4.26Å; A314-N380 PolarHBondContact N-O 2.96Å; A314-N380 PolarHBondContact O-N 3.22Å
381	T	93.9	Very high	93.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.4	-175.3	178.4	0	0	0	0	110.5	L269 K311 A383 I384	L269-T381 HydrophobicContact CB-CG2 4.36Å; L269-T381 HydrophobicContact CD2-CG2 4.25Å; K311-T381 VanDerWaalsContact O-CA 3.24Å; K311-T381 WeakPolarHBondContact O-CA 3.3Å; K311-T381 PolarHBondContact O-OG1 2.82Å; K311-T381 VanDerWaalsContact O-OG1 3.1Å; T381-A383 HydrophobicContact CG2-CB 4.28Å; T381-A383 PolarHBondContact O-N 3.38Å; T381-A383 PolarHBondContact OG1-N 3.44Å; T381-I384 WeakPolarHBondContact O-CG2 3.28Å; T381-I384 PolarHBondContact O-N 3.39Å
382	T	94.9	Very high	93.8	Very high	15 Å²	15	19 Å²	19	9%	0.092	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-65.1	-19.2	178.2	61.6	0	0	0	0	113.2	G310 K311 M313 I384 A385 Y432 V435	G310-T382 VanDerWaalsContact CA-OG1 3.28Å; G310-T382 WeakPolarHBondContact CA-OG1 3.47Å; K311-T382 PolarHBondContact N-OG1 2.89Å; K311-T382 PolarHBondContact O-N 2.9Å; M313-T382 HydrophobicContact CE-CG2 3.96Å; T382-I384 PolarHBondContact O-N 3.18Å; T382-I384 VanDerWaalsContact O-N 3.08Å; T382-A385 VanDerWaalsContact O-CB 3.24Å; T382-A385 WeakPolarHBondContact O-CB 3.4Å; T382-A385 PolarHBondContact O-N 3.2Å; T382-Y432 HydrophobicContact CG2-CD1 4.29Å; T382-V435 HydrophobicContact CG2-CB 4.36Å; T382-V435 HydrophobicContact CG2-CG1 4.03Å
383	A	94.3	Very high	94	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.033	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.7	176.8	0	0	0	0	0	113.5	C305 D306 P307 T381 A385 E386	C305-A383 HydrophobicContact CB-CB 4.3Å; C305-A383 WeakPolarHBondContact CB-O 3.5Å; D306-A383 WeakPolarHBondContact O-CB 3.25Å; P307-A383 HydrophobicContact CB-CB 4.46Å; T381-A383 HydrophobicContact CG2-CB 4.28Å; T381-A383 PolarHBondContact O-N 3.38Å; T381-A383 PolarHBondContact OG1-N 3.44Å; A383-A385 PolarHBondContact O-N 3.26Å; A383-E386 WeakPolarHBondContact O-CB 3.48Å; A383-E386 WeakPolarHBondContact O-CG 3.27Å; A383-E386 PolarHBondContact O-N 2.87Å; A383-E386 VanDerWaalsContact O-N 3.11Å
384	I	94.2	Very high	94.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.5	-19.2	176.1	-148.8	169.3	0	0	0	112.6	M203 F267 T381 T382 E386 A387 Y432	M203-I384 HydrophobicContact CE-CD1 3.22Å; M203-I384 HydrophobicContact CE-CG1 3.37Å; F267-I384 HydrophobicContact CB-CD1 4.13Å; F267-I384 WeakPolarHBondContact O-CD1 3.5Å; T381-I384 WeakPolarHBondContact O-CG2 3.28Å; T381-I384 PolarHBondContact O-N 3.39Å; T382-I384 PolarHBondContact O-N 3.18Å; T382-I384 VanDerWaalsContact O-N 3.08Å; I384-E386 PolarHBondContact O-N 3.46Å; I384-A387 VanDerWaalsContact O-CB 3.3Å; I384-A387 WeakPolarHBondContact O-CB 3.39Å; I384-A387 PolarHBondContact O-N 3.23Å; I384-Y432 HydrophobicContact CG2-CE1 3.73Å; I384-Y432 HydrophobicContact CG2-CE2 4.38Å
385	A	94	Very high	94.1	Very high	21 Å²	21	20.4 Å²	20.4	17%	0.174	10%	0.103	C	C	.	.	H	α-helix	trans	-56.7	-28.8	171.1	0	0	0	0	0	113	T382 A383 A387 W388 A389 Y432	T382-A385 VanDerWaalsContact O-CB 3.24Å; T382-A385 WeakPolarHBondContact O-CB 3.4Å; T382-A385 PolarHBondContact O-N 3.2Å; A383-A385 PolarHBondContact O-N 3.26Å; A385-A387 PolarHBondContact O-N 3.04Å; A385-W388 PolarHBondContact O-N 3.13Å; A385-W388 VanDerWaalsContact O-N 3.1Å; A385-A389 PolarHBondContact O-N 3.33Å; A385-Y432 HydrophobicContact CB-CD2 4.13Å; A385-Y432 HydrophobicContact CB-CG 3.98Å
386	E	92.6	Very high	94.2	Very high	65 Å²	65	23.3 Å²	23.3	30%	0.304	12%	0.119	S	C	.	.	H	α-helix	trans	-60	-30.2	173.4	-65.8	-177.5	170.6	0	0	112.3	C305 D306 H309 A383 I384 R390	C305-E386 VanDerWaalsContact CA-OE2 3.32Å; C305-E386 WeakPolarHBondContact CA-OE2 3.44Å; C305-E386 HydrophobicContact CB-CB 4.32Å; D306-E386 PolarHBondContact N-OE2 2.82Å; D306-E386 VanDerWaalsContact N-OE2 3.1Å; H309-E386 IonicContact ND1-OE1 2.67Å; H309-E386 PolarHBondContact ND1-OE1 2.86Å; A383-E386 WeakPolarHBondContact O-CB 3.48Å; A383-E386 WeakPolarHBondContact O-CG 3.27Å; A383-E386 PolarHBondContact O-N 2.87Å; A383-E386 VanDerWaalsContact O-N 3.11Å; I384-E386 PolarHBondContact O-N 3.46Å; E386-R390 WeakPolarHBondContact O-CG 3.34Å; E386-R390 PolarHBondContact O-N 3.47Å; E386-R390 PolarHBondContact O-NH1 3.38Å
387	A	92.3	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73.7	-36.5	176.5	0	0	0	0	0	111.9	Y172 V303 I384 A385 L391	Y172-A387 HydrophobicContact CE2-CB 4.03Å; Y172-A387 PolarHBondContact OH-O 2.75Å; V303-A387 HydrophobicContact CG1-CB 3.82Å; I384-A387 VanDerWaalsContact O-CB 3.3Å; I384-A387 WeakPolarHBondContact O-CB 3.39Å; I384-A387 PolarHBondContact O-N 3.23Å; A385-A387 PolarHBondContact O-N 3.04Å; A387-L391 PolarHBondContact O-N 2.68Å
388	W	94.5	Very high	94.3	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-49.1	174.3	-62.2	126.7	0	0	0	111.2	F141 T191 M203 F267 A385 R390 L391 D392 M425 E429	F141-W388 AromaticContact CE2-CH2 3.97Å; F141-W388 HydrophobicContact CE2-CH2 3.97Å; F141-W388 HydrophobicContact CE2-CZ3 4.36Å; F141-W388 HydrophobicContact CZ-CH2 4.1Å; T191-W388 HydrophobicContact CG2-CH2 3.59Å; T191-W388 HydrophobicContact CG2-CZ2 4.28Å; T191-W388 HydrophobicContact CG2-CZ3 3.85Å; M203-W388 HydrophobicContact CE-CH2 4.43Å; M203-W388 HydrophobicContact CE-CZ2 3.7Å; M203-W388 HydrophobicContact SD-CH2 3.59Å; M203-W388 VanDerWaalsContact SD-CH2 3.59Å; M203-W388 HydrophobicContact SD-CZ2 3.41Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.38Å; M203-W388 HydrophobicContact SD-CZ3 4.38Å; F267-W388 HydrophobicContact CD1-CH2 4.42Å; F267-W388 AromaticContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD2-CZ2 4.08Å; F267-W388 HydrophobicContact CE1-CH2 4.04Å; F267-W388 AromaticContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE2-CZ2 4.01Å; F267-W388 AromaticContact CG-CZ2 3.93Å; F267-W388 HydrophobicContact CG-CZ2 3.93Å; F267-W388 HydrophobicContact CZ-CH2 4.26Å; F267-W388 AromaticContact CZ-CZ2 3.79Å; F267-W388 HydrophobicContact CZ-CZ2 3.79Å; A385-W388 PolarHBondContact O-N 3.13Å; A385-W388 VanDerWaalsContact O-N 3.1Å; W388-R390 PolarHBondContact O-N 3.33Å; W388-R390 VanDerWaalsContact O-N 3.08Å; W388-L391 HydrophobicContact CE3-CD1 4Å; W388-L391 HydrophobicContact CZ3-CD1 4Å; W388-L391 WeakPolarHBondContact O-CA 3.26Å; W388-L391 WeakPolarHBondContact O-CB 3.42Å; W388-L391 PolarHBondContact O-N 2.88Å; W388-D392 PolarHBondContact O-N 3.19Å; W388-M425 HydrophobicContact CB-CE 4.37Å; W388-M425 HydrophobicContact CD2-CE 3.71Å; W388-M425 HydrophobicContact CE3-CE 3.32Å; W388-M425 HydrophobicContact CG-CE 4.16Å; W388-M425 HydrophobicContact CZ3-CE 3.81Å; W388-E429 HydrophobicContact CB-CG 4.33Å
389	A	94.4	Very high	94.5	Very high	45 Å²	45	31 Å²	31	37%	0.372	16%	0.157	S	C	.	.	H	α-helix	trans	-55.1	-35.4	177.5	0	0	0	0	0	113.4	A385 H393 E429	A385-A389 PolarHBondContact O-N 3.33Å; A389-H393 VanDerWaalsContact O-CB 3.26Å; A389-H393 WeakPolarHBondContact O-CB 3.42Å; A389-H393 PolarHBondContact O-N 3.04Å; A389-E429 WeakPolarHBondContact CA-OE1 3.37Å; A389-E429 PolarHBondContact N-OE1 3.08Å
390	R	92.4	Very high	94.7	Very high	85 Å²	85	34.3 Å²	34.3	32%	0.321	19%	0.185	S	C	.	.	H	α-helix	trans	-68.7	-35.9	174.6	-74	-171.9	-51	-99.1	12	113.3	K304 E386 W388 K394	K304-R390 VanDerWaalsContact O-CZ 3.24Å; K304-R390 PolarHBondContact O-NH1 2.96Å; K304-R390 PolarHBondContact O-NH2 2.79Å; E386-R390 WeakPolarHBondContact O-CG 3.34Å; E386-R390 PolarHBondContact O-N 3.47Å; E386-R390 PolarHBondContact O-NH1 3.38Å; W388-R390 PolarHBondContact O-N 3.33Å; W388-R390 VanDerWaalsContact O-N 3.08Å; R390-K394 WeakPolarHBondContact O-CG 3.23Å; R390-K394 PolarHBondContact O-N 3.48Å
391	L	92.4	Very high	94.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-71.2	-48.8	175	-77.8	178.8	0	0	0	110.5	Y172 P173 I188 A387 W388 H393 K394 F395	Y172-L391 HydrophobicContact CD2-CD1 3.99Å; Y172-L391 HydrophobicContact CE2-CD1 3.34Å; Y172-L391 HydrophobicContact CE2-CD2 4.24Å; Y172-L391 HydrophobicContact CE2-CG 3.58Å; Y172-L391 WeakPolarHBondContact OH-CG 3.39Å; P173-L391 HydrophobicContact CG-CD2 3.77Å; I188-L391 HydrophobicContact CD1-CB 4.04Å; A387-L391 PolarHBondContact O-N 2.68Å; W388-L391 HydrophobicContact CE3-CD1 4Å; W388-L391 HydrophobicContact CZ3-CD1 4Å; W388-L391 WeakPolarHBondContact O-CA 3.26Å; W388-L391 WeakPolarHBondContact O-CB 3.42Å; W388-L391 PolarHBondContact O-N 2.88Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 2.67Å; L391-K394 PolarHBondContact O-N 3.13Å; L391-F395 PolarHBondContact O-N 3.34Å
392	D	95.6	Very high	94.9	Very high	2 Å²	2	48 Å²	48	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-45	-179.9	-81.1	24.7	0	0	0	111	I188 W388 K394 F395 D396 R422 E429	I188-D392 WeakPolarHBondContact CD1-OD1 3.41Å; W388-D392 PolarHBondContact O-N 3.19Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.29Å; D392-F395 WeakPolarHBondContact O-CB 3.46Å; D392-F395 PolarHBondContact O-N 3.48Å; D392-D396 WeakPolarHBondContact O-CB 3.07Å; D392-D396 PolarHBondContact O-N 2.79Å; D392-R422 IonicContact OD2-CZ 3.15Å; D392-R422 IonicContact OD2-NE 3.87Å; D392-R422 IonicContact OD2-NH1 2.72Å; D392-R422 PolarHBondContact OD2-NH1 3.17Å; D392-R422 IonicContact OD2-NH2 3.54Å; D392-E429 VanDerWaalsContact CG-OE1 3.3Å; D392-E429 VanDerWaalsContact OD2-OE1 3.09Å
393	H	95.7	Very high	95	Very high	115 Å²	115	48.9 Å²	48.9	53%	0.532	25%	0.25	S	C	.	.	H	α-helix	trans	-58.9	-43.2	175.4	-178.2	63.1	0	0	0	113	A389 L391 D396 L397	A389-H393 VanDerWaalsContact O-CB 3.26Å; A389-H393 WeakPolarHBondContact O-CB 3.42Å; A389-H393 PolarHBondContact O-N 3.04Å; L391-H393 VanDerWaalsContact C-N 3.31Å; L391-H393 PolarHBondContact O-N 2.67Å; H393-D396 PolarHBondContact O-N 3.3Å; H393-L397 WeakPolarHBondContact O-CG 3.14Å; H393-L397 PolarHBondContact O-N 3.31Å; H393-L397 VanDerWaalsContact O-N 3.16Å
394	K	94.2	Very high	95.1	Very high	73 Å²	73	52.7 Å²	52.7	32%	0.317	27%	0.266	S	S	.	.	H	α-helix	trans	-68.5	-39.2	177.8	-70.8	175	-177.4	175.1	0	111.4	P184 R390 L391 D392 M398	P184-K394 HydrophobicContact CB-CB 3.95Å; P184-K394 HydrophobicContact CG-CB 3.73Å; P184-K394 HydrophobicContact CG-CD 4.14Å; R390-K394 WeakPolarHBondContact O-CG 3.23Å; R390-K394 PolarHBondContact O-N 3.48Å; L391-K394 PolarHBondContact O-N 3.13Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.29Å; K394-M398 WeakPolarHBondContact O-CG 3.39Å; K394-M398 PolarHBondContact O-N 2.97Å
395	F	96.2	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-51.5	173.9	179.2	-78.1	0	0	0	110.2	Y185 I188 L391 D392 L397 M398 Y399 F418 R422	Y185-F395 AromaticContact CD1-CD2 3.47Å; Y185-F395 HydrophobicContact CD1-CD2 3.47Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.47Å; Y185-F395 AromaticContact CD1-CE2 3.6Å; Y185-F395 HydrophobicContact CD1-CE2 3.6Å; Y185-F395 HydrophobicContact CD1-CG 4.2Å; Y185-F395 HydrophobicContact CD1-CZ 4.43Å; Y185-F395 HydrophobicContact CE1-CD2 4.01Å; Y185-F395 HydrophobicContact CE1-CE2 4.08Å; Y185-F395 HydrophobicContact CE1-CG 4.37Å; I188-F395 HydrophobicContact CB-CD2 3.79Å; I188-F395 HydrophobicContact CB-CE2 4.05Å; I188-F395 HydrophobicContact CG1-CB 4.12Å; I188-F395 HydrophobicContact CG1-CD2 3.61Å; I188-F395 HydrophobicContact CG1-CE2 4.35Å; I188-F395 HydrophobicContact CG1-CG 4.09Å; I188-F395 HydrophobicContact CG2-CD2 4.05Å; I188-F395 HydrophobicContact CG2-CE2 3.95Å; L391-F395 PolarHBondContact O-N 3.34Å; D392-F395 WeakPolarHBondContact O-CB 3.46Å; D392-F395 PolarHBondContact O-N 3.48Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 2.84Å; F395-M398 PolarHBondContact O-N 2.96Å; F395-M398 VanDerWaalsContact O-N 3.13Å; F395-Y399 AromaticContact CE1-CD1 3.95Å; F395-Y399 HydrophobicContact CE1-CD1 3.95Å; F395-Y399 AromaticContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CZ-CG 4.26Å; F395-Y399 WeakPolarHBondContact O-CB 3.33Å; F395-Y399 PolarHBondContact O-N 3.26Å; F395-F418 AromaticContact CE2-CD1 3.8Å; F395-F418 HydrophobicContact CE2-CD1 3.8Å; F395-F418 HydrophobicContact CE2-CE1 4.47Å; F395-F418 HydrophobicContact CZ-CB 4.16Å; F395-F418 AromaticContact CZ-CD1 3.79Å; F395-F418 HydrophobicContact CZ-CD1 3.79Å; F395-F418 HydrophobicContact CZ-CG 4.5Å; F395-F418 WeakPolarHBondContact CZ-O 3.03Å; F395-R422 HydrophobicContact CD1-CB 4.36Å; F395-R422 HydrophobicContact CD1-CG 4.14Å; F395-R422 HydrophobicContact CE1-CB 3.73Å; F395-R422 HydrophobicContact CE1-CG 3.88Å; F395-R422 HydrophobicContact CZ-CB 4.08Å
396	D	97.1	Very high	95.3	Very high	62 Å²	62	57.7 Å²	57.7	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-42.7	-176.6	-69.9	-23.8	0	0	0	111.8	D392 H393 M398 Y399 A400 R422	D392-D396 WeakPolarHBondContact O-CB 3.07Å; D392-D396 PolarHBondContact O-N 2.79Å; H393-D396 PolarHBondContact O-N 3.3Å; D396-M398 VanDerWaalsContact C-N 3.33Å; D396-M398 PolarHBondContact O-N 2.8Å; D396-Y399 PolarHBondContact O-N 3.47Å; D396-A400 WeakPolarHBondContact O-CB 3.37Å; D396-A400 PolarHBondContact O-N 3.06Å; D396-R422 IonicContact OD1-CZ 3.79Å; D396-R422 IonicContact OD1-NE 2.82Å; D396-R422 PolarHBondContact OD1-NE 2.96Å; D396-R422 IonicContact OD1-NH2 3.87Å; D396-R422 IonicContact OD2-CZ 3.65Å; D396-R422 IonicContact OD2-NE 3.41Å; D396-R422 PolarHBondContact OD2-NE 3.32Å; D396-R422 IonicContact OD2-NH2 2.98Å; D396-R422 PolarHBondContact OD2-NH2 3.18Å
397	L	96.7	Very high	95.5	Very high	110 Å²	110	61.9 Å²	61.9	58%	0.576	30%	0.299	S	S	*	.	H	α-helix	trans	-59.4	-41.6	176.9	-73.8	175.6	0	0	0	112.7	H393 F395	H393-L397 WeakPolarHBondContact O-CG 3.14Å; H393-L397 PolarHBondContact O-N 3.31Å; H393-L397 VanDerWaalsContact O-N 3.16Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 2.84Å
398	M	96.1	Very high	95.8	Very high	28 Å²	28	62 Å²	62	14%	0.138	30%	0.299	C	S	.	.	H	α-helix	trans	-76.7	-45	179.7	-65.4	-170.2	-61	0	0	111.6	P184 Y185 K394 F395 D396 A400 K401 R402 A403	P184-M398 HydrophobicContact CB-CE 3.56Å; P184-M398 HydrophobicContact CG-CE 3.59Å; Y185-M398 HydrophobicContact CD1-CE 3.84Å; Y185-M398 HydrophobicContact CE1-CB 3.85Å; Y185-M398 HydrophobicContact CE1-CE 3.88Å; Y185-M398 HydrophobicContact CG-CE 4.23Å; Y185-M398 WeakPolarHBondContact OH-CB 3.42Å; Y185-M398 PolarHBondContact OH-O 3.4Å; K394-M398 WeakPolarHBondContact O-CG 3.39Å; K394-M398 PolarHBondContact O-N 2.97Å; F395-M398 PolarHBondContact O-N 2.96Å; F395-M398 VanDerWaalsContact O-N 3.13Å; D396-M398 VanDerWaalsContact C-N 3.33Å; D396-M398 PolarHBondContact O-N 2.8Å; M398-A400 PolarHBondContact O-N 3.04Å; M398-K401 PolarHBondContact O-N 2.96Å; M398-K401 VanDerWaalsContact O-N 3.13Å; M398-R402 PolarHBondContact O-N 3.05Å; M398-A403 PolarHBondContact O-N 2.77Å; M398-A403 VanDerWaalsContact O-N 3.12Å
399	Y	96.8	Very high	95.9	Very high	22 Å²	22	64.9 Å²	64.9	9%	0.086	32%	0.317	C	S	.	.	H	α-helix	trans	-71	-31.8	-174	-169.6	-120.1	0	0	0	112.3	Y185 F395 D396 K401 R402 V405 F418 S419	Y185-Y399 VanDerWaalsContact OH-CA 3.29Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.47Å; Y185-Y399 PolarHBondContact OH-N 3.44Å; Y185-Y399 VanDerWaalsContact OH-N 3.16Å; F395-Y399 AromaticContact CE1-CD1 3.95Å; F395-Y399 HydrophobicContact CE1-CD1 3.95Å; F395-Y399 AromaticContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CZ-CG 4.26Å; F395-Y399 WeakPolarHBondContact O-CB 3.33Å; F395-Y399 PolarHBondContact O-N 3.26Å; D396-Y399 PolarHBondContact O-N 3.47Å; Y399-K401 PolarHBondContact O-N 3.44Å; Y399-K401 VanDerWaalsContact O-N 3.1Å; Y399-R402 PolarHBondContact O-N 3.24Å; Y399-R402 PolarHBondContact O-NH1 3.35Å; Y399-V405 HydrophobicContact CD2-CG2 3.88Å; Y399-V405 HydrophobicContact CE2-CG2 4.06Å; Y399-F418 HydrophobicContact CD2-CB 4.21Å; Y399-F418 HydrophobicContact CD2-CD1 4.36Å; Y399-F418 HydrophobicContact CD2-CG 4.34Å; Y399-F418 HydrophobicContact CE1-CB 4.43Å; Y399-F418 HydrophobicContact CE2-CB 3.53Å; Y399-F418 HydrophobicContact CE2-CD1 4.35Å; Y399-F418 HydrophobicContact CE2-CD2 4.44Å; Y399-F418 AromaticContact CE2-CG 3.88Å; Y399-F418 HydrophobicContact CE2-CG 3.88Å; Y399-S419 PolarHBondContact OH-OG 3.39Å
400	A	96.8	Very high	96	Very high	71 Å²	71	65.8 Å²	65.8	59%	0.587	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.8	172.2	0	0	0	0	0	113.3	D396 M398	D396-A400 WeakPolarHBondContact O-CB 3.37Å; D396-A400 PolarHBondContact O-N 3.06Å; M398-A400 PolarHBondContact O-N 3.04Å
401	K	96.6	Very high	96.2	Very high	174 Å²	174	63.6 Å²	63.6	76%	0.757	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	3	174.7	-58.9	-55.9	179.7	-167.8	0	113.5	M398 Y399 A403	M398-K401 PolarHBondContact O-N 2.96Å; M398-K401 VanDerWaalsContact O-N 3.13Å; Y399-K401 PolarHBondContact O-N 3.44Å; Y399-K401 VanDerWaalsContact O-N 3.1Å; K401-A403 PolarHBondContact O-N 3.33Å; K401-A403 VanDerWaalsContact O-N 3.1Å
402	R	95.3	Very high	96.2	Very high	114 Å²	114	66.3 Å²	66.3	43%	0.43	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	31.7	-170.9	-59.8	-63.1	-168.5	-93.7	3.7	112.1	M398 Y399 F404 V405 E415	M398-R402 PolarHBondContact O-N 3.05Å; Y399-R402 PolarHBondContact O-N 3.24Å; Y399-R402 PolarHBondContact O-NH1 3.35Å; R402-F404 PolarHBondContact O-N 3.1Å; R402-V405 HydrophobicContact CB-CG2 4.25Å; R402-E415 WeakPolarHBondContact CD-OE1 3.29Å; R402-E415 IonicContact CZ-OE1 3.78Å; R402-E415 IonicContact NE-OE1 2.82Å; R402-E415 PolarHBondContact NE-OE1 2.94Å; R402-E415 IonicContact NH2-OE1 3.91Å
403	A	96.4	Very high	96.3	Very high	32 Å²	32	66.4 Å²	66.4	26%	0.264	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	133.5	179.5	0	0	0	0	0	108.5	Y185 M398 K401 V405	Y185-A403 WeakPolarHBondContact CE2-O 3.21Å; Y185-A403 PolarHBondContact OH-O 3.4Å; M398-A403 PolarHBondContact O-N 2.77Å; M398-A403 VanDerWaalsContact O-N 3.12Å; K401-A403 PolarHBondContact O-N 3.33Å; K401-A403 VanDerWaalsContact O-N 3.1Å; A403-V405 PolarHBondContact O-N 3.03Å
404	F	96.7	Very high	96.4	Very high	85 Å²	85	68 Å²	68	37%	0.373	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-4.4	178.6	-50.7	-78.4	0	0	0	117.7	V181 V182 Y185 R402 H406 W407 Y408	V181-F404 HydrophobicContact CG1-CE2 3.92Å; V181-F404 HydrophobicContact CG1-CZ 4.26Å; V182-F404 HydrophobicContact CG1-CB 3.66Å; V182-F404 HydrophobicContact CG1-CD1 4.18Å; V182-F404 HydrophobicContact CG1-CD2 3.92Å; V182-F404 HydrophobicContact CG1-CG 3.65Å; Y185-F404 HydrophobicContact CE2-CB 4.32Å; R402-F404 PolarHBondContact O-N 3.1Å; F404-H406 VanDerWaalsContact C-N 3.27Å; F404-H406 PolarHBondContact O-N 3.37Å; F404-W407 WeakPolarHBondContact O-CB 3.25Å; F404-W407 PolarHBondContact O-N 2.94Å; F404-W407 VanDerWaalsContact O-N 3.11Å; F404-Y408 WeakPolarHBondContact O-CD2 3.27Å
405	V	96.9	Very high	96.4	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.03	36%	0.364	C	S	.	.	H	α-helix	trans	-57.1	-37.4	-177.5	174.6	0	0	0	0	112.8	Y185 Y399 R402 A403 W407 Y408 V409 E415 F418	Y185-V405 HydrophobicContact CE2-CG2 4.31Å; Y399-V405 HydrophobicContact CD2-CG2 3.88Å; Y399-V405 HydrophobicContact CE2-CG2 4.06Å; R402-V405 HydrophobicContact CB-CG2 4.25Å; A403-V405 PolarHBondContact O-N 3.03Å; V405-W407 PolarHBondContact O-N 3.09Å; V405-W407 VanDerWaalsContact O-N 3.12Å; V405-Y408 PolarHBondContact O-N 3.49Å; V405-V409 HydrophobicContact CG1-CG2 4.02Å; V405-V409 PolarHBondContact O-N 2.79Å; V405-V409 VanDerWaalsContact O-N 3.14Å; V405-E415 HydrophobicContact CG1-CG 4.03Å; V405-F418 HydrophobicContact CG1-CD2 4.43Å; V405-F418 HydrophobicContact CG1-CE2 4.17Å
406	H	96.4	Very high	96.3	Very high	121 Å²	121	70.7 Å²	70.7	56%	0.56	39%	0.386	S	S	*	.	H	α-helix	trans	-58.8	-26	179.6	65	-85	0	0	0	114.2	F404 Y408 G410	F404-H406 VanDerWaalsContact C-N 3.27Å; F404-H406 PolarHBondContact O-N 3.37Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; H406-G410 PolarHBondContact O-N 2.97Å
407	W	97	Very high	96.3	Very high	153 Å²	153	69.4 Å²	69.4	58%	0.58	38%	0.378	S	S	*	.	H	α-helix	trans	-68.3	-32.9	174.9	-71.1	111.4	0	0	0	112.4	N102 F404 V405 E411	N102-W407 PolarHBondContact ND2-O 2.62Å; F404-W407 WeakPolarHBondContact O-CB 3.25Å; F404-W407 PolarHBondContact O-N 2.94Å; F404-W407 VanDerWaalsContact O-N 3.11Å; V405-W407 PolarHBondContact O-N 3.09Å; V405-W407 VanDerWaalsContact O-N 3.12Å; W407-E411 VanDerWaalsContact O-CG 3.3Å; W407-E411 WeakPolarHBondContact O-CG 3.47Å
408	Y	97.8	Very high	96.4	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-80.1	-46.5	-179.9	-65.3	-107	0	0	0	110.1	N102 A104 V182 Y185 N186 L189 F404 V405 H406 G410 E411 M413 F418	N102-Y408 VanDerWaalsContact OD1-CD1 3.3Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.46Å; A104-Y408 HydrophobicContact CB-CD1 4.23Å; V182-Y408 WeakPolarHBondContact CB-OH 3.42Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y408 AromaticContact CD2-CE2 3.77Å; Y185-Y408 HydrophobicContact CD2-CE2 3.77Å; Y185-Y408 AromaticContact CD2-CZ 3.97Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.42Å; N186-Y408 PolarHBondContact OD1-OH 2.68Å; L189-Y408 HydrophobicContact CD1-CD1 4.03Å; L189-Y408 HydrophobicContact CD1-CE1 3.95Å; F404-Y408 WeakPolarHBondContact O-CD2 3.27Å; V405-Y408 PolarHBondContact O-N 3.49Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; Y408-G410 VanDerWaalsContact C-N 3.27Å; Y408-G410 PolarHBondContact O-N 3.01Å; Y408-E411 CarbonylContact O-C 3.58Å; Y408-E411 PolarHBondContact O-N 2.78Å; Y408-M413 HydrophobicContact CD1-SD 3.99Å; Y408-M413 HydrophobicContact CG-SD 4.44Å; Y408-M413 WeakPolarHBondContact O-CB 3.37Å; Y408-M413 PolarHBondContact O-N 3.08Å; Y408-F418 HydrophobicContact CD1-CE2 4.43Å; Y408-F418 AromaticContact CD1-CZ 3.71Å; Y408-F418 HydrophobicContact CD1-CZ 3.71Å; Y408-F418 AromaticContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CE1-CZ 4.22Å; Y408-F418 HydrophobicContact CE2-CZ 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.04Å; Y408-F418 AromaticContact CG-CZ 3.49Å; Y408-F418 HydrophobicContact CG-CZ 3.49Å; Y408-F418 VanDerWaalsContact CG-CZ 3.49Å
409	V	97	Very high	96.4	Very high	62 Å²	62	64.8 Å²	64.8	38%	0.376	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-36.6	177.1	179.5	0	0	0	0	111.9	V405 E411 G412 M413 E415	V405-V409 HydrophobicContact CG1-CG2 4.02Å; V405-V409 PolarHBondContact O-N 2.79Å; V405-V409 VanDerWaalsContact O-N 3.14Å; V409-E411 PolarHBondContact O-N 3.24Å; V409-G412 PolarHBondContact O-N 2.96Å; V409-M413 WeakPolarHBondContact CA-O 3.49Å; V409-E415 HydrophobicContact CG2-CB 4.03Å
410	G	95.8	Very high	96.4	Very high	65 Å²	65	69.1 Å²	69.1	67%	0.67	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.3	174.9	0	0	0	0	0	114.4	H406 Y408	H406-G410 PolarHBondContact O-N 2.97Å; Y408-G410 VanDerWaalsContact C-N 3.27Å; Y408-G410 PolarHBondContact O-N 3.01Å
411	E	96.5	Very high	96.4	Very high	39 Å²	39	65.8 Å²	65.8	18%	0.182	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	24.5	-178	-65.7	-77.9	-176.7	0	0	111.4	A104 R105 T109 W407 Y408 V409	A104-E411 HydrophobicContact CB-CB 3.76Å; R105-E411 WeakPolarHBondContact CD-OE1 3.37Å; R105-E411 HydrophobicContact CG-CB 4.1Å; R105-E411 HydrophobicContact CG-CG 3.53Å; R105-E411 WeakPolarHBondContact CG-OE1 3.39Å; R105-E411 IonicContact CZ-OE1 3.4Å; R105-E411 IonicContact NE-OE1 2.64Å; R105-E411 IonicContact NH1-OE1 2.76Å; R105-E411 PolarHBondContact NH1-OE1 3.04Å; R105-E411 IonicContact NH1-OE2 3.62Å; T109-E411 WeakPolarHBondContact CB-OE2 3.3Å; T109-E411 HydrophobicContact CG2-CB 4.36Å; T109-E411 VanDerWaalsContact CG2-O 3.31Å; T109-E411 WeakPolarHBondContact CG2-O 3.3Å; T109-E411 VanDerWaalsContact CG2-OE2 3.3Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.45Å; T109-E411 PolarHBondContact OG1-OE2 3.22Å; W407-E411 VanDerWaalsContact O-CG 3.3Å; W407-E411 WeakPolarHBondContact O-CG 3.47Å; Y408-E411 CarbonylContact O-C 3.58Å; Y408-E411 PolarHBondContact O-N 2.78Å; V409-E411 PolarHBondContact O-N 3.24Å
412	G	93.4	Very high	96.5	Very high	57 Å²	57	59.8 Å²	59.8	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	9	169	0	0	0	0	0	115.8	V409	V409-G412 PolarHBondContact O-N 2.96Å
413	M	97.5	Very high	96.6	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.02	34%	0.335	C	S	.	.			trans	-86.2	139.4	172.2	-176.6	-179.7	167.3	0	0	110.7	Y103 A104 Y108 L189 Y408 V409 E417 F418	Y103-M413 HydrophobicContact CD1-SD 4.26Å; A104-M413 HydrophobicContact CB-CB 3.76Å; A104-M413 HydrophobicContact CB-SD 4.18Å; Y108-M413 HydrophobicContact CD2-CB 3.89Å; Y108-M413 HydrophobicContact CD2-CG 4.39Å; Y108-M413 HydrophobicContact CE2-CB 3.79Å; Y108-M413 HydrophobicContact CE2-CG 3.8Å; L189-M413 HydrophobicContact CD1-CE 3.62Å; L189-M413 HydrophobicContact CD1-SD 3.99Å; L189-M413 HydrophobicContact CD2-CE 3.34Å; L189-M413 HydrophobicContact CG-CE 4.11Å; Y408-M413 HydrophobicContact CD1-SD 3.99Å; Y408-M413 HydrophobicContact CG-SD 4.44Å; Y408-M413 WeakPolarHBondContact O-CB 3.37Å; Y408-M413 PolarHBondContact O-N 3.08Å; V409-M413 WeakPolarHBondContact CA-O 3.49Å; M413-E417 HydrophobicContact CE-CB 3.45Å; M413-E417 VanDerWaalsContact CE-CB 3.45Å; M413-E417 HydrophobicContact CE-CG 4.44Å; M413-E417 HydrophobicContact CG-CB 4.37Å; M413-E417 WeakPolarHBondContact CG-OE2 3.48Å; M413-F418 HydrophobicContact CE-CD2 3.73Å; M413-F418 HydrophobicContact CE-CE2 3.65Å; M413-F418 HydrophobicContact CE-CG 4.29Å; M413-F418 HydrophobicContact CE-CZ 4.15Å; M413-F418 HydrophobicContact SD-CE2 4.03Å; M413-F418 HydrophobicContact SD-CZ 4.42Å
414	E	96.8	Very high	96.6	Very high	148 Å²	148	61 Å²	61	69%	0.692	33%	0.33	S	S	*	.			trans	-78.2	141.5	174.1	-65.2	-167.7	176	0	0	111	G416 E417	E414-G416 PolarHBondContact O-N 3.29Å; E414-E417 HydrophobicContact CB-CG 4.45Å; E414-E417 PolarHBondContact N-OE1 2.84Å; E414-E417 WeakPolarHBondContact O-CB 3.38Å; E414-E417 PolarHBondContact O-N 3.47Å
415	E	94.4	Very high	96.6	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.3	178	-174.3	176.2	164.8	0	0	111.9	R402 V405 V409 E417 F418	R402-E415 WeakPolarHBondContact CD-OE1 3.29Å; R402-E415 IonicContact CZ-OE1 3.78Å; R402-E415 IonicContact NE-OE1 2.82Å; R402-E415 PolarHBondContact NE-OE1 2.94Å; R402-E415 IonicContact NH2-OE1 3.91Å; V405-E415 HydrophobicContact CG1-CG 4.03Å; V409-E415 HydrophobicContact CG2-CB 4.03Å; E415-E417 PolarHBondContact O-N 2.75Å; E415-F418 PolarHBondContact O-N 2.81Å
416	G	95.6	Very high	96.5	Very high	45 Å²	45	58.6 Å²	58.6	46%	0.464	33%	0.327	S	S	.	.	H	α-helix	trans	-59.7	-31.7	178	0	0	0	0	0	114	E414 F418 S419 E420	E414-G416 PolarHBondContact O-N 3.29Å; G416-F418 PolarHBondContact O-N 3.16Å; G416-S419 PolarHBondContact O-N 3.33Å; G416-E420 PolarHBondContact O-N 3.13Å; G416-E420 VanDerWaalsContact O-N 3.07Å
417	E	97.1	Very high	96.5	Very high	36 Å²	36	54.9 Å²	54.9	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-29	-179.8	-70.2	175.1	-132.3	0	0	112.5	Y108 M413 E414 E415 S419 A421	Y108-E417 PolarHBondContact OH-OE1 2.81Å; Y108-E417 VanDerWaalsContact OH-OE1 3.09Å; Y108-E417 PolarHBondContact OH-OE2 2.89Å; M413-E417 HydrophobicContact CE-CB 3.45Å; M413-E417 VanDerWaalsContact CE-CB 3.45Å; M413-E417 HydrophobicContact CE-CG 4.44Å; M413-E417 HydrophobicContact CG-CB 4.37Å; M413-E417 WeakPolarHBondContact CG-OE2 3.48Å; E414-E417 HydrophobicContact CB-CG 4.45Å; E414-E417 PolarHBondContact N-OE1 2.84Å; E414-E417 WeakPolarHBondContact O-CB 3.38Å; E414-E417 PolarHBondContact O-N 3.47Å; E415-E417 PolarHBondContact O-N 2.75Å; E417-S419 VanDerWaalsContact C-N 3.34Å; E417-A421 VanDerWaalsContact O-CB 3.25Å; E417-A421 WeakPolarHBondContact O-CB 3.48Å; E417-A421 PolarHBondContact O-N 2.96Å
418	F	97.3	Very high	96.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-41.8	173.9	-80.9	-84.2	0	0	0	112.2	Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422	Y185-F418 HydrophobicContact CD1-CD1 4.37Å; Y185-F418 AromaticContact CD1-CE1 3.99Å; Y185-F418 HydrophobicContact CD1-CE1 3.99Å; Y185-F418 AromaticContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CZ 4.36Å; Y185-F418 HydrophobicContact CE1-CE1 4.39Å; Y185-F418 HydrophobicContact CE2-CE1 4.25Å; Y185-F418 AromaticContact CG-CE1 3.7Å; Y185-F418 HydrophobicContact CG-CE1 3.7Å; L189-F418 HydrophobicContact CD1-CE1 3.95Å; L189-F418 HydrophobicContact CD1-CZ 4.14Å; L189-F418 HydrophobicContact CD2-CD1 4.46Å; F395-F418 AromaticContact CE2-CD1 3.8Å; F395-F418 HydrophobicContact CE2-CD1 3.8Å; F395-F418 HydrophobicContact CE2-CE1 4.47Å; F395-F418 HydrophobicContact CZ-CB 4.16Å; F395-F418 AromaticContact CZ-CD1 3.79Å; F395-F418 HydrophobicContact CZ-CD1 3.79Å; F395-F418 HydrophobicContact CZ-CG 4.5Å; F395-F418 WeakPolarHBondContact CZ-O 3.03Å; Y399-F418 HydrophobicContact CD2-CB 4.21Å; Y399-F418 HydrophobicContact CD2-CD1 4.36Å; Y399-F418 HydrophobicContact CD2-CG 4.34Å; Y399-F418 HydrophobicContact CE1-CB 4.43Å; Y399-F418 HydrophobicContact CE2-CB 3.53Å; Y399-F418 HydrophobicContact CE2-CD1 4.35Å; Y399-F418 HydrophobicContact CE2-CD2 4.44Å; Y399-F418 AromaticContact CE2-CG 3.88Å; Y399-F418 HydrophobicContact CE2-CG 3.88Å; V405-F418 HydrophobicContact CG1-CD2 4.43Å; V405-F418 HydrophobicContact CG1-CE2 4.17Å; Y408-F418 HydrophobicContact CD1-CE2 4.43Å; Y408-F418 AromaticContact CD1-CZ 3.71Å; Y408-F418 HydrophobicContact CD1-CZ 3.71Å; Y408-F418 AromaticContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CE1-CZ 4.22Å; Y408-F418 HydrophobicContact CE2-CZ 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.04Å; 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-CD2 3.73Å; M413-F418 HydrophobicContact CE-CE2 3.65Å; M413-F418 HydrophobicContact CE-CG 4.29Å; M413-F418 HydrophobicContact CE-CZ 4.15Å; M413-F418 HydrophobicContact SD-CE2 4.03Å; M413-F418 HydrophobicContact SD-CZ 4.42Å; E415-F418 PolarHBondContact O-N 2.81Å; G416-F418 PolarHBondContact O-N 3.16Å; F418-R422 VanDerWaalsContact O-CB 3.3Å; F418-R422 WeakPolarHBondContact O-CB 3.15Å; F418-R422 PolarHBondContact O-N 3.34Å; F418-R422 VanDerWaalsContact O-N 3.14Å
419	S	96.2	Very high	96.3	Very high	41 Å²	41	49.3 Å²	49.3	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-72.3	-42.7	-179.3	-54.5	0	0	0	0	110.4	Y399 G416 E417 R422 E423	Y399-S419 PolarHBondContact OH-OG 3.39Å; G416-S419 PolarHBondContact O-N 3.33Å; E417-S419 VanDerWaalsContact C-N 3.34Å; S419-R422 PolarHBondContact O-N 3.16Å; S419-E423 WeakPolarHBondContact O-CB 3.35Å; S419-E423 WeakPolarHBondContact O-CG 3.46Å; S419-E423 PolarHBondContact O-N 2.99Å
420	E	97.5	Very high	96.2	Very high	113 Å²	113	51.9 Å²	51.9	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-59.2	-50.2	176.2	-177	175.7	-175.5	0	0	111.7	G416 R422 E423 D424	G416-E420 PolarHBondContact O-N 3.13Å; G416-E420 VanDerWaalsContact O-N 3.07Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.36Å; E420-E423 PolarHBondContact O-N 2.85Å; E420-D424 PolarHBondContact O-N 2.85Å
421	A	97.4	Very high	96.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-38.1	177.7	0	0	0	0	0	112.1	I188 L189 H192 E417 M425	I188-A421 HydrophobicContact CG2-CB 3.91Å; L189-A421 HydrophobicContact CD2-CB 3.86Å; H192-A421 HydrophobicContact CB-CB 3.6Å; E417-A421 VanDerWaalsContact O-CB 3.25Å; E417-A421 WeakPolarHBondContact O-CB 3.48Å; E417-A421 PolarHBondContact O-N 2.96Å; A421-M425 VanDerWaalsContact O-CG 3.27Å; A421-M425 WeakPolarHBondContact O-CG 3.35Å; A421-M425 PolarHBondContact O-N 3.19Å; A421-M425 VanDerWaalsContact O-N 3.08Å
422	R	97.6	Very high	96	Very high	48 Å²	48	49.1 Å²	49.1	18%	0.181	27%	0.274	C	S	.	.	H	α-helix	trans	-69.5	-37.6	177.8	177.9	60.1	-172.5	103.8	-10.6	112.8	D392 F395 D396 F418 S419 E420 M425 A426	D392-R422 IonicContact OD2-CZ 3.15Å; D392-R422 IonicContact OD2-NE 3.87Å; D392-R422 IonicContact OD2-NH1 2.72Å; D392-R422 PolarHBondContact OD2-NH1 3.17Å; D392-R422 IonicContact OD2-NH2 3.54Å; F395-R422 HydrophobicContact CD1-CB 4.36Å; F395-R422 HydrophobicContact CD1-CG 4.14Å; F395-R422 HydrophobicContact CE1-CB 3.73Å; F395-R422 HydrophobicContact CE1-CG 3.88Å; F395-R422 HydrophobicContact CZ-CB 4.08Å; D396-R422 IonicContact OD1-CZ 3.79Å; D396-R422 IonicContact OD1-NE 2.82Å; D396-R422 PolarHBondContact OD1-NE 2.96Å; D396-R422 IonicContact OD1-NH2 3.87Å; D396-R422 IonicContact OD2-CZ 3.65Å; D396-R422 IonicContact OD2-NE 3.41Å; D396-R422 PolarHBondContact OD2-NE 3.32Å; D396-R422 IonicContact OD2-NH2 2.98Å; D396-R422 PolarHBondContact OD2-NH2 3.18Å; F418-R422 VanDerWaalsContact O-CB 3.3Å; F418-R422 WeakPolarHBondContact O-CB 3.15Å; F418-R422 PolarHBondContact O-N 3.34Å; F418-R422 VanDerWaalsContact O-N 3.14Å; S419-R422 PolarHBondContact O-N 3.16Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.36Å; R422-M425 PolarHBondContact O-N 3.47Å; R422-A426 PolarHBondContact O-N 3.26Å
423	E	97.1	Very high	96	Very high	142 Å²	142	52.9 Å²	52.9	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-66.5	-40.7	175.8	-75.9	175.4	-164.9	0	0	111.3	S419 E420 A426 A427	S419-E423 WeakPolarHBondContact O-CB 3.35Å; S419-E423 WeakPolarHBondContact O-CG 3.46Å; S419-E423 PolarHBondContact O-N 2.99Å; E420-E423 PolarHBondContact O-N 2.85Å; E423-A426 WeakPolarHBondContact O-CB 3.31Å; E423-A426 PolarHBondContact O-N 3.34Å; E423-A427 PolarHBondContact O-N 3.49Å
424	D	96.7	Very high	95.7	Very high	29 Å²	29	57.8 Å²	57.8	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-38.8	175.4	-173.5	31.7	0	0	0	112.2	H192 R264 E420 A427 L428	H192-D424 IonicContact CE1-OD2 3.7Å; H192-D424 IonicContact CG-OD2 3.86Å; H192-D424 WeakPolarHBondContact ND1-CB 3.26Å; H192-D424 IonicContact ND1-OD2 3.73Å; H192-D424 PolarHBondContact ND1-OD2 3.3Å; R264-D424 IonicContact CZ-OD1 3.25Å; R264-D424 VanDerWaalsContact CZ-OD1 3.25Å; R264-D424 IonicContact NH1-OD1 2.78Å; R264-D424 PolarHBondContact NH1-OD1 2.82Å; R264-D424 PolarHBondContact NH2-O 2.98Å; R264-D424 IonicContact NH2-OD1 2.79Å; R264-D424 PolarHBondContact NH2-OD1 3.06Å; E420-D424 PolarHBondContact O-N 2.85Å; D424-A427 WeakPolarHBondContact O-CB 3.44Å; D424-A427 PolarHBondContact O-N 3.41Å; D424-L428 PolarHBondContact O-N 3.21Å
425	M	96.6	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-37.8	173.4	-67.9	-57.8	-57.7	0	0	112.7	I188 T191 W388 A421 R422 A427 L428 E429	I188-M425 HydrophobicContact CD1-CE 4.35Å; I188-M425 HydrophobicContact CD1-CG 4.01Å; I188-M425 HydrophobicContact CG2-CG 3.92Å; T191-M425 HydrophobicContact CG2-CE 3.98Å; T191-M425 HydrophobicContact CG2-SD 3.53Å; T191-M425 VanDerWaalsContact CG2-SD 3.53Å; W388-M425 HydrophobicContact CB-CE 4.37Å; W388-M425 HydrophobicContact CD2-CE 3.71Å; W388-M425 HydrophobicContact CE3-CE 3.32Å; W388-M425 HydrophobicContact CG-CE 4.16Å; W388-M425 HydrophobicContact CZ3-CE 3.81Å; A421-M425 VanDerWaalsContact O-CG 3.27Å; A421-M425 WeakPolarHBondContact O-CG 3.35Å; A421-M425 PolarHBondContact O-N 3.19Å; A421-M425 VanDerWaalsContact O-N 3.08Å; R422-M425 PolarHBondContact O-N 3.47Å; M425-A427 VanDerWaalsContact C-N 3.31Å; M425-A427 PolarHBondContact O-N 3.19Å; M425-L428 HydrophobicContact CE-CD2 3.89Å; M425-L428 WeakPolarHBondContact O-CB 3.45Å; M425-L428 PolarHBondContact O-N 3.27Å; M425-L428 HydrophobicContact SD-CD2 4.16Å; M425-E429 PolarHBondContact O-N 3.19Å
426	A	95.7	Very high	94.9	Very high	41 Å²	41	48.5 Å²	48.5	34%	0.339	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-39	170.8	0	0	0	0	0	112	R422 E423 E429 K430	R422-A426 PolarHBondContact O-N 3.26Å; E423-A426 WeakPolarHBondContact O-CB 3.31Å; E423-A426 PolarHBondContact O-N 3.34Å; A426-E429 PolarHBondContact O-N 3.07Å; A426-K430 PolarHBondContact O-N 3.12Å; A426-K430 VanDerWaalsContact O-N 3.08Å
427	A	96.8	Very high	94.4	Very high	42 Å²	42	50.1 Å²	50.1	35%	0.347	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-40.3	173.5	0	0	0	0	0	111.5	E423 D424 M425 K430 D431	E423-A427 PolarHBondContact O-N 3.49Å; D424-A427 WeakPolarHBondContact O-CB 3.44Å; D424-A427 PolarHBondContact O-N 3.41Å; M425-A427 VanDerWaalsContact C-N 3.31Å; M425-A427 PolarHBondContact O-N 3.19Å; A427-K430 WeakPolarHBondContact O-CB 3.37Å; A427-K430 PolarHBondContact O-N 3.01Å; A427-D431 PolarHBondContact O-N 3.14Å
428	L	94.9	Very high	93.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-41.8	175.1	-177.1	64.4	0	0	0	112.4	L195 R264 F267 D424 M425 K430 D431 Y432	L195-L428 HydrophobicContact CD1-CD2 4.42Å; R264-L428 HydrophobicContact CB-CD1 4.28Å; R264-L428 WeakPolarHBondContact O-CD1 3.48Å; F267-L428 HydrophobicContact CE2-CD2 4.09Å; D424-L428 PolarHBondContact O-N 3.21Å; M425-L428 HydrophobicContact CE-CD2 3.89Å; M425-L428 WeakPolarHBondContact O-CB 3.45Å; M425-L428 PolarHBondContact O-N 3.27Å; M425-L428 HydrophobicContact SD-CD2 4.16Å; L428-K430 VanDerWaalsContact C-N 3.3Å; L428-K430 PolarHBondContact O-N 2.95Å; L428-D431 WeakPolarHBondContact O-CB 3.33Å; L428-D431 PolarHBondContact O-N 3.25Å; L428-Y432 HydrophobicContact CD1-CD2 4.4Å; L428-Y432 HydrophobicContact CD1-CE2 3.96Å; L428-Y432 HydrophobicContact CG-CD2 4.28Å; L428-Y432 HydrophobicContact CG-CE2 3.99Å; L428-Y432 VanDerWaalsContact O-CD2 3.24Å; L428-Y432 WeakPolarHBondContact O-CD2 3.3Å; L428-Y432 PolarHBondContact O-N 3.31Å
429	E	94.3	Very high	91.5	Very high	39 Å²	39	55.2 Å²	55.2	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-44.2	173.2	-73	-174.6	-177.5	0	0	111	W388 A389 D392 M425 A426 D431 Y432 E433	W388-E429 HydrophobicContact CB-CG 4.33Å; A389-E429 WeakPolarHBondContact CA-OE1 3.37Å; A389-E429 PolarHBondContact N-OE1 3.08Å; D392-E429 VanDerWaalsContact CG-OE1 3.3Å; D392-E429 VanDerWaalsContact OD2-OE1 3.09Å; M425-E429 PolarHBondContact O-N 3.19Å; A426-E429 PolarHBondContact O-N 3.07Å; E429-D431 PolarHBondContact O-N 2.9Å; E429-Y432 WeakPolarHBondContact O-CB 3.45Å; E429-Y432 PolarHBondContact O-N 3.11Å; E429-E433 PolarHBondContact O-N 2.96Å
430	K	94.9	Very high	89.4	Confident	115 Å²	115	58.2 Å²	58.2	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-39.6	176	-163.7	-176.8	-177.1	-114.9	0	112.6	A426 A427 L428 Y432 E433 E434	A426-K430 PolarHBondContact O-N 3.12Å; A426-K430 VanDerWaalsContact O-N 3.08Å; A427-K430 WeakPolarHBondContact O-CB 3.37Å; A427-K430 PolarHBondContact O-N 3.01Å; L428-K430 VanDerWaalsContact C-N 3.3Å; L428-K430 PolarHBondContact O-N 2.95Å; K430-Y432 VanDerWaalsContact C-N 3.25Å; K430-Y432 PolarHBondContact O-N 2.98Å; K430-E433 WeakPolarHBondContact O-CB 3.34Å; K430-E433 PolarHBondContact O-N 3.39Å; K430-E433 VanDerWaalsContact O-N 3.13Å; K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 HydrophobicContact CG-CG 4.46Å; K430-E434 IonicContact NZ-OE1 2.79Å; K430-E434 PolarHBondContact NZ-OE1 3.13Å; K430-E434 WeakPolarHBondContact O-CG 3.48Å; K430-E434 PolarHBondContact O-N 3.27Å
431	D	94.6	Very high	87	Confident	43 Å²	43	59.5 Å²	59.5	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-57.4	-40.7	175.2	-66.3	-29.9	0	0	0	110.8	R264 I265 A427 L428 E429 V435	R264-D431 IonicContact CZ-OD2 3.29Å; R264-D431 IonicContact NE-OD2 3.44Å; R264-D431 PolarHBondContact NE-OD2 3.23Å; R264-D431 IonicContact NH2-OD2 3.85Å; I265-D431 HydrophobicContact CD1-CB 4.2Å; I265-D431 HydrophobicContact CG1-CB 4.4Å; A427-D431 PolarHBondContact O-N 3.14Å; L428-D431 WeakPolarHBondContact O-CB 3.33Å; L428-D431 PolarHBondContact O-N 3.25Å; E429-D431 PolarHBondContact O-N 2.9Å; D431-V435 VanDerWaalsContact O-CG2 3.31Å; D431-V435 WeakPolarHBondContact O-CG2 3.15Å; D431-V435 PolarHBondContact O-N 3.1Å; D431-V435 VanDerWaalsContact O-N 3.15Å
432	Y	94.6	Very high	84.5	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-69.4	-37.2	175.4	-80.5	-71.7	0	0	0	113.4	I265 M313 T382 I384 A385 L428 E429 K430 G436	I265-Y432 HydrophobicContact CB-CE1 4.37Å; I265-Y432 HydrophobicContact CG1-CE1 4.33Å; I265-Y432 HydrophobicContact CG2-CD1 4.1Å; I265-Y432 HydrophobicContact CG2-CE1 3.35Å; M313-Y432 HydrophobicContact CE-CE1 4.24Å; T382-Y432 HydrophobicContact CG2-CD1 4.29Å; I384-Y432 HydrophobicContact CG2-CE1 3.73Å; I384-Y432 HydrophobicContact CG2-CE2 4.38Å; A385-Y432 HydrophobicContact CB-CD2 4.13Å; A385-Y432 HydrophobicContact CB-CG 3.98Å; L428-Y432 HydrophobicContact CD1-CD2 4.4Å; L428-Y432 HydrophobicContact CD1-CE2 3.96Å; L428-Y432 HydrophobicContact CG-CD2 4.28Å; L428-Y432 HydrophobicContact CG-CE2 3.99Å; L428-Y432 VanDerWaalsContact O-CD2 3.24Å; L428-Y432 WeakPolarHBondContact O-CD2 3.3Å; L428-Y432 PolarHBondContact O-N 3.31Å; E429-Y432 WeakPolarHBondContact O-CB 3.45Å; E429-Y432 PolarHBondContact O-N 3.11Å; K430-Y432 VanDerWaalsContact C-N 3.25Å; K430-Y432 PolarHBondContact O-N 2.98Å; Y432-G436 PolarHBondContact O-N 3.21Å; Y432-G436 VanDerWaalsContact O-N 3.14Å
433	E	92.5	Very high	81.7	Confident	136 Å²	136	68 Å²	68	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-62.4	-49.3	174.6	-71.5	-179	171.1	0	0	110.8	E429 K430 V435 G436 V437	E429-E433 PolarHBondContact O-N 2.96Å; K430-E433 WeakPolarHBondContact O-CB 3.34Å; K430-E433 PolarHBondContact O-N 3.39Å; K430-E433 VanDerWaalsContact O-N 3.13Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.1Å; E433-G436 WeakPolarHBondContact O-CA 3.39Å; E433-G436 PolarHBondContact O-N 3.12Å; E433-V437 PolarHBondContact O-N 2.89Å
434	E	91.9	Very high	79.1	Confident	107 Å²	107	68 Å²	68	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-59.7	-41.5	179.7	-72.3	-179.3	-171.7	0	0	112	K430 G436 V437	K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 HydrophobicContact CG-CG 4.46Å; K430-E434 IonicContact NZ-OE1 2.79Å; K430-E434 PolarHBondContact NZ-OE1 3.13Å; K430-E434 WeakPolarHBondContact O-CG 3.48Å; K430-E434 PolarHBondContact O-N 3.27Å; E434-G436 PolarHBondContact O-N 3.47Å; E434-V437 PolarHBondContact O-N 3.47Å
435	V	89.8	Confident	76.5	Confident	17 Å²	17	75.4 Å²	75.4	10%	0.103	42%	0.416	C	S	.	.	H	α-helix	trans	-69.2	-22.8	175.4	173.5	0	0	0	0	112.7	Y262 I265 M313 V344 W346 T382 D431 E433	Y262-V435 HydrophobicContact CD2-CG2 4.08Å; Y262-V435 HydrophobicContact CE2-CG2 3.84Å; I265-V435 HydrophobicContact CD1-CB 4.34Å; I265-V435 HydrophobicContact CD1-CG2 3.61Å; M313-V435 HydrophobicContact CG-CG1 3.87Å; M313-V435 HydrophobicContact SD-CG1 3.62Å; V344-V435 HydrophobicContact CG1-CG1 4.3Å; W346-V435 HydrophobicContact CZ2-CG1 4.16Å; T382-V435 HydrophobicContact CG2-CB 4.36Å; T382-V435 HydrophobicContact CG2-CG1 4.03Å; D431-V435 VanDerWaalsContact O-CG2 3.31Å; D431-V435 WeakPolarHBondContact O-CG2 3.15Å; D431-V435 PolarHBondContact O-N 3.1Å; D431-V435 VanDerWaalsContact O-N 3.15Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.1Å
436	G	84.4	Confident	73.8	Confident	21 Å²	21	84.6 Å²	84.6	22%	0.216	46%	0.46	C	S	.	.	H	α-helix	trans	-75.1	-22	175.9	0	0	0	0	0	114.2	K311 Y432 E433 E434	K311-G436 WeakPolarHBondContact CD-O 3.24Å; K311-G436 VanDerWaalsContact CE-O 3.27Å; K311-G436 WeakPolarHBondContact CE-O 3.25Å; K311-G436 PolarHBondContact NZ-O 2.83Å; Y432-G436 PolarHBondContact O-N 3.21Å; Y432-G436 VanDerWaalsContact O-N 3.14Å; E433-G436 WeakPolarHBondContact O-CA 3.39Å; E433-G436 PolarHBondContact O-N 3.12Å; E434-G436 PolarHBondContact O-N 3.47Å
437	V	85.1	Confident	71.4	Confident	79 Å²	79	85.3 Å²	85.3	48%	0.479	47%	0.471	S	S	.	.	S	Bend	trans	-75.5	136.3	179.7	-174.9	0	0	0	0	110	E433 E434 E441	E433-V437 PolarHBondContact O-N 2.89Å; E434-V437 PolarHBondContact O-N 3.47Å; V437-E441 HydrophobicContact CG1-CB 4.22Å
438	D	71.9	Confident	68.8	Low	61 Å²	61	92.3 Å²	92.3	33%	0.326	50%	0.496	S	S	.	.			trans	-73	141	173.7	-74.4	-45	0	0	0	110	K311 V440 E441	K311-D438 IonicContact NZ-OD1 2.68Å; K311-D438 PolarHBondContact NZ-OD1 3.14Å; K311-D438 IonicContact NZ-OD2 2.79Å; K311-D438 PolarHBondContact NZ-OD2 2.94Å; D438-V440 PolarHBondContact O-N 3.18Å; D438-E441 PolarHBondContact O-N 2.82Å
439	S	61.2	Low	66.1	Low	82 Å²	82	101.9 Å²	101.9	57%	0.573	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.3	-178.7	57.1	0	0	0	0	114.1	D345	D345-S439 VanDerWaalsContact OD2-CB 3.26Å; D345-S439 WeakPolarHBondContact OD2-CB 3.47Å; D345-S439 PolarHBondContact OD2-N 3.47Å; D345-S439 PolarHBondContact OD2-OG 2.84Å
440	V	51.9	Low	63.6	Low	104 Å²	104	114.5 Å²	114.5	63%	0.63	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-22	178.7	-168.9	0	0	0	0	112.7	D438 G442	D438-V440 PolarHBondContact O-N 3.18Å; V440-G442 VanDerWaalsContact C-N 3.31Å; V440-G442 PolarHBondContact O-N 3.01Å
441	E	48.3	Very low	62	Low	140 Å²	140	114.5 Å²	114.5	65%	0.654	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-12.2	179.5	-70.4	-173.3	159.5	0	0	113.2	V437 D438	V437-E441 HydrophobicContact CG1-CB 4.22Å; D438-E441 PolarHBondContact O-N 2.82Å
442	G	43.6	Very low	60.3	Low	60 Å²	60	118.2 Å²	118.2	62%	0.619	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-11.5	-178.4	0	0	0	0	0	116	V440	V440-G442 VanDerWaalsContact C-N 3.31Å; V440-G442 PolarHBondContact O-N 3.01Å
443	E	39.8	Very low	58.4	Low	168 Å²	168	124.6 Å²	124.6	79%	0.785	65%	0.646	S	S	*	*	S	Bend	trans	-94.9	-13.2	-179.4	-73.7	-169.4	163.4	0	0	113.7
444	D	42.1	Very low	56.4	Low	142 Å²	142	123.9 Å²	123.9	76%	0.759	65%	0.647	S	S	*	*	S	Bend	trans	-86.9	-5.4	-174.5	-78.9	-21.7	0	0	0	114.3
445	E	41.5	Very low	54.2	Low	183 Å²	183	125 Å²	125	86%	0.855	66%	0.656	S	S	*	*	S	Bend	trans	-102.7	-9.9	-179.3	-72	-163.3	162.7	0	0	115.8
446	E	41	Very low	51.8	Low	194 Å²	194	132.2 Å²	132.2	91%	0.907	69%	0.693	S	S	*	*	S	Bend	trans	-100.5	19.1	177.6	-72.2	-162.7	160.3	0	0	114.2
447	G	43.6	Very low	49.5	Very low	56 Å²	56	140.1 Å²	140.1	58%	0.577	73%	0.727	S	S	*	*	S	Bend	trans	-111.8	4.7	-166.6	0	0	0	0	0	119
448	E	42.6	Very low	46.7	Very low	188 Å²	188	144.8 Å²	144.8	88%	0.879	75%	0.746	S	S	*	*			trans	-142.4	78.8	178.5	-71.8	-163.6	165.8	0	0	114.2
449	E	38.3	Very low	44.6	Very low	202 Å²	202	151.8 Å²	151.8	94%	0.944	78%	0.781	S	S	*	*			trans	-132.6	107.2	144.1	-84.6	-164.3	160.8	0	0	109
450	Y	41.8	Very low	43.1	Very low	303 Å²	303	158.2 Å²	158.2	100%	1.188	80%	0.8	S	S	*	*			trans	-108	0	166.1	-86.9	-71.4	0	0	0	110.6

Retrieved 450 of 450 residues in 435.4 ms (Link to these results)

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