A0A3Q0KIX4_SCHMA Loading...

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 (Q26595), UniProt , Accession A0A3Q0KIX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 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	69.3	Low	93.4	Very high	112 Å²	112	28.9 Å²	28.9	55%	0.552	13%	0.13	S	C	*	.				0	156.6	0	-159.9	174	-84.5	0	0	108.1	E3 N50 T130	M1-E3 HydrophobicContact CB-CG 4.11Å; M1-E3 HydrophobicContact CG-CG 3.94Å; M1-E3 HydrophobicContact SD-CG 3.94Å; M1-N50 HydrophobicContact CE-CB 3.69Å; M1-N50 HydrophobicContact CG-CB 4.44Å; M1-N50 HydrophobicContact SD-CB 3.28Å; M1-N50 WeakPolarHBondContact SD-CB 3.43Å; M1-T130 WeakPolarHBondContact CB-OG1 2.93Å
2	R	83.7	Confident	93.6	Very high	104 Å²	104	28.3 Å²	28.3	39%	0.392	14%	0.135	S	C	.	.			trans	-102.6	59.9	-175.8	-64.3	-169.2	174.4	-173.4	-4.6	110.6	T51 Q133	R2-T51 WeakPolarHBondContact O-CG2 3.25Å; R2-Q133 HydrophobicContact CB-CG 4.17Å
3	E	93	Very high	93.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.5	-169.5	-66.6	146.7	116.1	0	0	111.8	M1 T51 R64 C129 T130 G131 L132 Q133	M1-E3 HydrophobicContact CB-CG 4.11Å; M1-E3 HydrophobicContact CG-CG 3.94Å; M1-E3 HydrophobicContact SD-CG 3.94Å; E3-T51 WeakPolarHBondContact CA-O 3.36Å; E3-R64 IonicContact OE1-CZ 3.56Å; E3-R64 IonicContact OE1-NH1 3.33Å; E3-R64 IonicContact OE1-NH2 3.93Å; E3-R64 PolarHBondContact OE1-NH2 2.95Å; E3-C129 HydrophobicContact CB-CB 4.05Å; E3-C129 WeakPolarHBondContact OE1-CA 3.47Å; E3-T130 VanDerWaalsContact CD-N 3.33Å; E3-T130 PolarHBondContact OE1-N 2.77Å; E3-T130 VanDerWaalsContact OE1-N 3.14Å; E3-T130 WeakPolarHBondContact OE2-CA 3.26Å; E3-T130 PolarHBondContact OE2-N 3.32Å; E3-T130 PolarHBondContact OE2-OG1 2.97Å; E3-G131 PolarHBondContact N-O 3.45Å; E3-G131 PolarHBondContact OE2-N 3.48Å; E3-L132 CarbonylContact O-C 3.47Å; E3-L132 WeakPolarHBondContact O-CA 3.44Å; E3-Q133 PolarHBondContact O-N 3.32Å
4	C	95.1	Very high	94.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153	175.1	-47.8	0	0	0	0	110.5	T51 F52 R64 G134 L252	C4-T51 PolarHBondContact N-O 2.65Å; C4-F52 HydrophobicContact CB-CD1 4.07Å; C4-F52 HydrophobicContact CB-CE1 3.66Å; C4-R64 WeakPolarHBondContact O-CB 3.48Å; C4-G134 WeakPolarHBondContact CA-O 3.33Å; C4-L252 VanDerWaalsContact SG-CD1 3.53Å
5	I	97.7	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127	175.2	-65.3	165.9	0	0	0	108.4	V7 R64 L125 A126 L132 G134 F135 L136	I5-V7 HydrophobicContact CG2-CG2 4.23Å; I5-R64 WeakPolarHBondContact CA-O 3.45Å; I5-L125 HydrophobicContact CD1-CB 3.68Å; I5-L125 HydrophobicContact CG1-CB 4.15Å; I5-L125 HydrophobicContact CG2-CD1 4.12Å; I5-A126 HydrophobicContact CD1-CB 4.07Å; I5-L132 HydrophobicContact CB-CD1 4.47Å; I5-L132 HydrophobicContact CD1-CD1 3.8Å; I5-L132 HydrophobicContact CD1-CD2 4.23Å; I5-L132 HydrophobicContact CG1-CD1 3.84Å; I5-G134 PolarHBondContact N-O 2.99Å; I5-G134 VanDerWaalsContact N-O 3.13Å; I5-F135 HydrophobicContact CB-CD1 3.91Å; I5-F135 HydrophobicContact CB-CE1 4.15Å; I5-F135 HydrophobicContact CD1-CE1 4.02Å; I5-F135 HydrophobicContact CG2-CD1 4.24Å; I5-F135 HydrophobicContact CG2-CE1 4.48Å; I5-F135 CarbonylContact O-C 3.57Å; I5-F135 VanDerWaalsContact O-CA 3.28Å; I5-F135 WeakPolarHBondContact O-CA 2.87Å; I5-L136 PolarHBondContact O-N 3.19Å
6	S	98.4	Very high	94.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.4	172.7	-55.6	0	0	0	0	110.5	H8 R64 A65 V66 L136	S6-H8 WeakPolarHBondContact CB-NE2 3.5Å; S6-R64 PolarHBondContact N-O 3.04Å; S6-A65 CarbonylContact O-C 3Å; S6-A65 WeakPolarHBondContact O-CA 3.46Å; S6-V66 PolarHBondContact O-N 3.41Å; S6-L136 CarbonylContact C-O 3.59Å; S6-L136 WeakPolarHBondContact CA-O 3.5Å
7	V	98.7	Very high	94.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.5	177.6	-170.7	0	0	0	0	108.2	I5 V9 V66 I122 F135 L136 I137 F138 L153	I5-V7 HydrophobicContact CG2-CG2 4.23Å; V7-V9 HydrophobicContact CG1-CG2 3.77Å; V7-V66 WeakPolarHBondContact CA-O 3.17Å; V7-I122 HydrophobicContact CG1-CD1 4.48Å; V7-I122 HydrophobicContact CG2-CD1 3.98Å; V7-I122 HydrophobicContact CG2-CG1 4.49Å; V7-F135 HydrophobicContact CG2-CD1 4.47Å; V7-L136 PolarHBondContact N-O 3.08Å; V7-I137 CarbonylContact O-C 2.95Å; V7-I137 WeakPolarHBondContact O-CA 3.39Å; V7-F138 PolarHBondContact O-N 2.84Å; V7-L153 HydrophobicContact CG1-CD2 3.77Å
8	H	98.8	Very high	94.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.5	-176	-62.3	-76	0	0	0	109.2	S6 G13 G17 W21 V66 F67 V68 F138	S6-H8 WeakPolarHBondContact CB-NE2 3.5Å; H8-G13 PolarHBondContact ND1-O 3.37Å; H8-G17 WeakPolarHBondContact CE1-CA 3.25Å; H8-G17 WeakPolarHBondContact ND1-CA 3.41Å; H8-W21 AromaticContact CD2-NE1 3.84Å; H8-W21 AromaticContact NE2-CD1 3.95Å; H8-W21 AromaticContact NE2-NE1 3.15Å; H8-W21 PolarHBondContact NE2-NE1 3.02Å; H8-W21 VanDerWaalsContact NE2-NE1 3.15Å; H8-V66 PolarHBondContact N-O 3.14Å; H8-F67 HydrophobicContact CB-CD1 3.6Å; H8-F67 HydrophobicContact CB-CE1 3.85Å; H8-F67 HydrophobicContact CB-CG 4.1Å; H8-F67 AromaticContact CD2-CE1 3.81Å; H8-F67 AromaticContact CD2-CE2 3.84Å; H8-F67 AromaticContact CD2-CZ 3.63Å; H8-F67 AromaticContact CG-CE1 3.78Å; H8-F67 WeakPolarHBondContact O-CA 3.48Å; H8-V68 PolarHBondContact O-N 3.24Å; H8-F138 AromaticContact CE1-CD2 3.15Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.41Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.26Å; H8-F138 AromaticContact CE1-CG 3.5Å; H8-F138 VanDerWaalsContact CE1-CG 3.5Å; H8-F138 WeakPolarHBondContact CE1-CG 3.43Å; H8-F138 AromaticContact CE1-CZ 4Å; H8-F138 WeakPolarHBondContact ND1-CB 3.39Å; H8-F138 AromaticContact ND1-CD2 3.36Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.23Å; H8-F138 AromaticContact ND1-CG 3.35Å; H8-F138 WeakPolarHBondContact ND1-CG 3.23Å; H8-F138 AromaticContact NE2-CD2 3.98Å
9	V	98.6	Very high	94.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.3	-167.9	-174.4	0	0	0	0	112.1	V7 G13 V68 F138 H139 T145 F149 T150 L153	V7-V9 HydrophobicContact CG1-CG2 3.77Å; V9-G13 WeakPolarHBondContact O-CA 3.3Å; V9-G13 PolarHBondContact O-N 2.69Å; V9-V68 WeakPolarHBondContact CA-O 3.46Å; V9-F138 PolarHBondContact N-O 3.39Å; V9-H139 HydrophobicContact CB-CB 4.36Å; V9-T145 HydrophobicContact CG1-CG2 3.9Å; V9-F149 HydrophobicContact CG1-CD1 3.66Å; V9-F149 HydrophobicContact CG1-CE1 4.39Å; V9-T150 WeakPolarHBondContact CB-OG1 3.48Å; V9-T150 VanDerWaalsContact CG1-OG1 3.23Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.25Å; V9-L153 HydrophobicContact CG2-CD2 4.4Å
10	G	97.7	Very high	95	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	69.4	176.4	-180	0	0	0	0	0	113.3	A12 G13 V14 V68 D69	G10-A12 PolarHBondContact O-N 2.71Å; G10-G13 PolarHBondContact O-N 3.2Å; G10-G13 VanDerWaalsContact O-N 3.15Å; G10-V14 WeakPolarHBondContact O-CB 3.21Å; G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.27Å; G10-V14 PolarHBondContact O-N 3.19Å; G10-V68 PolarHBondContact N-O 3.04Å; G10-D69 VanDerWaalsContact C-OD2 3.29Å; G10-D69 WeakPolarHBondContact CA-OD2 3.39Å
11	Q	95.9	Very high	95.1	Very high	97 Å²	97	21.7 Å²	21.7	45%	0.453	11%	0.107	S	C	.	.	H	α-helix	trans	-45.5	-54.4	179.9	174	169	-13.6	0	0	114.5	Q15 D69 V74	Q11-Q15 WeakPolarHBondContact O-CB 3.37Å; Q11-Q15 VanDerWaalsContact O-CG 3.23Å; Q11-Q15 WeakPolarHBondContact O-CG 3.35Å; Q11-Q15 PolarHBondContact O-N 2.98Å; Q11-D69 PolarHBondContact N-OD2 3.27Å; Q11-V74 HydrophobicContact CB-CG1 3.96Å; Q11-V74 HydrophobicContact CG-CG1 3.8Å
12	A	96	Very high	96.4	Very high	22 Å²	22	18.6 Å²	18.6	18%	0.182	9%	0.091	C	C	.	.	H	α-helix	trans	-63.4	-46.7	-178.6	0	0	0	0	0	111.8	G10 Q15 M16 V171	G10-A12 PolarHBondContact O-N 2.71Å; A12-Q15 PolarHBondContact O-N 3.5Å; A12-M16 HydrophobicContact CB-CE 4.5Å; A12-M16 WeakPolarHBondContact O-CB 3.48Å; A12-M16 VanDerWaalsContact O-CG 3.28Å; A12-M16 WeakPolarHBondContact O-CG 3.14Å; A12-M16 PolarHBondContact O-N 2.9Å; A12-V171 HydrophobicContact CB-CG2 4.29Å
13	G	98	Very high	97	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.8	-48.7	179.4	0	0	0	0	0	112.5	H8 V9 G10 Q15 M16 G17 F138	H8-G13 PolarHBondContact ND1-O 3.37Å; V9-G13 WeakPolarHBondContact O-CA 3.3Å; V9-G13 PolarHBondContact O-N 2.69Å; G10-G13 PolarHBondContact O-N 3.2Å; G10-G13 VanDerWaalsContact O-N 3.15Å; G13-Q15 PolarHBondContact O-N 3.35Å; G13-M16 PolarHBondContact O-N 3.32Å; G13-G17 PolarHBondContact O-N 2.79Å; G13-F138 VanDerWaalsContact CA-O 3.24Å; G13-F138 WeakPolarHBondContact CA-O 3.42Å
14	V	98.3	Very high	97.1	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-45	179.2	171.4	0	0	0	0	111.5	G10 G17 N18 F67 V74 V75 V78	G10-V14 WeakPolarHBondContact O-CB 3.21Å; G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.27Å; G10-V14 PolarHBondContact O-N 3.19Å; V14-G17 PolarHBondContact O-N 3.42Å; V14-N18 PolarHBondContact O-N 3.2Å; V14-F67 HydrophobicContact CB-CD1 4.23Å; V14-F67 HydrophobicContact CG1-CD1 3.97Å; V14-F67 HydrophobicContact CG2-CB 4.49Å; V14-F67 HydrophobicContact CG2-CD1 4.1Å; V14-V74 HydrophobicContact CB-CB 4.42Å; V14-V74 HydrophobicContact CB-CG2 4.15Å; V14-V74 HydrophobicContact CG1-CB 4.1Å; V14-V74 HydrophobicContact CG1-CG2 4.16Å; V14-V74 WeakPolarHBondContact CG1-O 3.45Å; V14-V74 HydrophobicContact CG2-CG2 4.21Å; V14-V75 HydrophobicContact CG1-CG2 4.43Å; V14-V75 HydrophobicContact CG2-CG2 3.99Å; V14-V78 HydrophobicContact CG1-CG2 3.87Å
15	Q	97.4	Very high	97.1	Very high	41 Å²	41	13.8 Å²	13.8	19%	0.192	7%	0.074	C	C	.	.	H	α-helix	trans	-70.2	-38.7	-179.1	-70	179.8	-23.2	0	0	112.7	Q11 A12 G13 A19 N228	Q11-Q15 WeakPolarHBondContact O-CB 3.37Å; Q11-Q15 VanDerWaalsContact O-CG 3.23Å; Q11-Q15 WeakPolarHBondContact O-CG 3.35Å; Q11-Q15 PolarHBondContact O-N 2.98Å; A12-Q15 PolarHBondContact O-N 3.5Å; G13-Q15 PolarHBondContact O-N 3.35Å; Q15-A19 PolarHBondContact O-N 2.62Å; Q15-N228 WeakPolarHBondContact CB-ND2 2.96Å
16	M	97.8	Very high	97	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.8	-47	170	-74.1	-172.1	-66.8	0	0	110.5	A12 G13 N18 A19 C20 F138 H139 V171 I231	A12-M16 HydrophobicContact CB-CE 4.5Å; A12-M16 WeakPolarHBondContact O-CB 3.48Å; A12-M16 VanDerWaalsContact O-CG 3.28Å; A12-M16 WeakPolarHBondContact O-CG 3.14Å; A12-M16 PolarHBondContact O-N 2.9Å; G13-M16 PolarHBondContact O-N 3.32Å; M16-N18 VanDerWaalsContact C-N 3.34Å; M16-N18 PolarHBondContact O-N 3.09Å; M16-A19 PolarHBondContact O-N 2.79Å; M16-C20 PolarHBondContact O-N 2.71Å; M16-C20 PolarHBondContact O-SG 2.73Å; M16-F138 HydrophobicContact CB-CD1 4.39Å; M16-F138 HydrophobicContact CE-CB 4.15Å; M16-H139 WeakPolarHBondContact CE-O 3.26Å; M16-V171 HydrophobicContact CE-CG2 3.84Å; M16-V171 HydrophobicContact SD-CG2 3.7Å; M16-I231 HydrophobicContact CG-CD1 4.2Å; M16-I231 HydrophobicContact CG-CG2 4.39Å; M16-I231 HydrophobicContact SD-CD1 3.95Å; M16-I231 HydrophobicContact SD-CG2 3.97Å
17	G	97.3	Very high	96.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55.1	-47	178.3	0	0	0	0	0	112.8	H8 G13 V14 A19 C20 W21	H8-G17 WeakPolarHBondContact CE1-CA 3.25Å; H8-G17 WeakPolarHBondContact ND1-CA 3.41Å; G13-G17 PolarHBondContact O-N 2.79Å; V14-G17 PolarHBondContact O-N 3.42Å; G17-A19 VanDerWaalsContact C-N 3.3Å; G17-A19 PolarHBondContact O-N 3.17Å; G17-C20 PolarHBondContact O-N 3.18Å; G17-C20 VanDerWaalsContact O-N 3.15Å; G17-W21 PolarHBondContact O-N 3.23Å
18	N	95.9	Very high	96.4	Very high	57 Å²	57	18.3 Å²	18.3	31%	0.305	10%	0.096	S	C	.	.	H	α-helix	trans	-57.6	-43.2	179.2	-163	25.1	0	0	0	112.2	V14 M16 E22	V14-N18 PolarHBondContact O-N 3.2Å; M16-N18 VanDerWaalsContact C-N 3.34Å; M16-N18 PolarHBondContact O-N 3.09Å; N18-E22 WeakPolarHBondContact O-CB 3.39Å; N18-E22 PolarHBondContact O-N 3.43Å; N18-E22 VanDerWaalsContact O-N 3.11Å
19	A	96.1	Very high	96	Very high	14 Å²	14	19.9 Å²	19.9	12%	0.116	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-40	176.1	0	0	0	0	0	112.7	Q15 M16 G17 L23 N228	Q15-A19 PolarHBondContact O-N 2.62Å; M16-A19 PolarHBondContact O-N 2.79Å; G17-A19 VanDerWaalsContact C-N 3.3Å; G17-A19 PolarHBondContact O-N 3.17Å; A19-L23 PolarHBondContact O-N 2.76Å; A19-N228 HydrophobicContact CB-CB 3.81Å
20	C	97	Very high	95.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-45.9	177.4	-68.3	0	0	0	0	112.2	M16 G17 L23 Y24	M16-C20 PolarHBondContact O-N 2.71Å; M16-C20 PolarHBondContact O-SG 2.73Å; G17-C20 PolarHBondContact O-N 3.18Å; G17-C20 VanDerWaalsContact O-N 3.15Å; C20-L23 WeakPolarHBondContact O-CB 3.32Å; C20-L23 PolarHBondContact O-N 3.49Å; C20-Y24 HydrophobicContact CB-CE2 4.38Å; C20-Y24 WeakPolarHBondContact O-CD2 3.37Å; C20-Y24 VanDerWaalsContact O-CG 3.29Å; C20-Y24 PolarHBondContact O-N 3.33Å
21	W	97.2	Very high	95.7	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-71.7	-34.1	-178.8	-72.2	107.3	0	0	0	112.9	H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87	H8-W21 AromaticContact CD2-NE1 3.84Å; H8-W21 AromaticContact NE2-CD1 3.95Å; H8-W21 AromaticContact NE2-NE1 3.15Å; H8-W21 PolarHBondContact NE2-NE1 3.02Å; H8-W21 VanDerWaalsContact NE2-NE1 3.15Å; G17-W21 PolarHBondContact O-N 3.23Å; W21-L23 VanDerWaalsContact C-N 3.27Å; W21-L23 PolarHBondContact O-N 3.45Å; W21-Y24 HydrophobicContact CD2-CD2 4.05Å; W21-Y24 AromaticContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CH2-CD2 4.5Å; W21-Y24 AromaticContact CZ3-CD2 3.97Å; W21-Y24 HydrophobicContact CZ3-CD2 3.97Å; W21-Y24 PolarHBondContact O-N 3.45Å; W21-C25 WeakPolarHBondContact O-CB 3.5Å; W21-C25 PolarHBondContact O-N 2.87Å; W21-C25 PolarHBondContact O-SG 3.14Å; W21-F52 HydrophobicContact CH2-CB 3.88Å; W21-F52 WeakPolarHBondContact CH2-O 3.49Å; W21-F52 HydrophobicContact CZ3-CB 4.02Å; W21-F53 HydrophobicContact CE3-CE1 4.04Å; W21-F53 HydrophobicContact CE3-CE2 4.37Å; W21-F53 AromaticContact CE3-CZ 3.71Å; W21-F53 HydrophobicContact CE3-CZ 3.71Å; W21-F53 HydrophobicContact CZ3-CD1 4.45Å; W21-F53 HydrophobicContact CZ3-CD2 4.44Å; W21-F53 AromaticContact CZ3-CE1 3.93Å; W21-F53 HydrophobicContact CZ3-CE1 3.93Å; W21-F53 AromaticContact CZ3-CE2 3.92Å; W21-F53 HydrophobicContact CZ3-CE2 3.92Å; W21-F53 AromaticContact CZ3-CZ 3.64Å; W21-F53 HydrophobicContact CZ3-CZ 3.64Å; W21-P63 HydrophobicContact CD2-CB 4.05Å; W21-P63 HydrophobicContact CD2-CG 4.18Å; W21-P63 HydrophobicContact CE3-CB 3.77Å; W21-P63 HydrophobicContact CE3-CG 3.76Å; W21-P63 HydrophobicContact CH2-CB 3.62Å; W21-P63 HydrophobicContact CH2-CG 4.47Å; W21-P63 HydrophobicContact CZ2-CB 3.89Å; W21-P63 HydrophobicContact CZ3-CB 3.54Å; W21-P63 HydrophobicContact CZ3-CG 3.91Å; W21-A65 HydrophobicContact CH2-CB 4.45Å; W21-A65 HydrophobicContact CZ2-CB 3.56Å; W21-F67 AromaticContact CD1-CZ 3.62Å; W21-F67 AromaticContact NE1-CZ 3.82Å; W21-F87 HydrophobicContact CB-CE1 4.24Å; W21-F87 HydrophobicContact CB-CZ 3.81Å; W21-F87 AromaticContact CD1-CE1 3.77Å; W21-F87 AromaticContact CD1-CZ 3.89Å; W21-F87 HydrophobicContact CD2-CE1 4.18Å; W21-F87 AromaticContact CG-CE1 3.8Å; W21-F87 HydrophobicContact CG-CE1 3.8Å; W21-F87 AromaticContact CG-CZ 3.84Å; W21-F87 HydrophobicContact CG-CZ 3.84Å
22	E	96.3	Very high	95.6	Very high	46 Å²	46	21.6 Å²	21.6	22%	0.215	12%	0.123	C	C	.	.	H	α-helix	trans	-54.2	-48.4	167.9	170.5	171.5	-128.4	0	0	110.2	N18 C25 L26 Y83 V363	N18-E22 WeakPolarHBondContact O-CB 3.39Å; N18-E22 PolarHBondContact O-N 3.43Å; N18-E22 VanDerWaalsContact O-N 3.11Å; E22-C25 PolarHBondContact O-N 3.43Å; E22-L26 HydrophobicContact CG-CD1 4.28Å; E22-L26 WeakPolarHBondContact O-CG 3.33Å; E22-L26 PolarHBondContact O-N 3.31Å; E22-L26 VanDerWaalsContact O-N 3.1Å; E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.86Å; E22-V363 HydrophobicContact CG-CG1 4.47Å; E22-V363 HydrophobicContact CG-CG2 4Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.48Å
23	L	95.2	Very high	95.6	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-44.4	179.1	-176	59.1	0	0	0	112.6	A19 C20 W21 C25 L26 E27 G232 T361	A19-L23 PolarHBondContact O-N 2.76Å; C20-L23 WeakPolarHBondContact O-CB 3.32Å; C20-L23 PolarHBondContact O-N 3.49Å; W21-L23 VanDerWaalsContact C-N 3.27Å; W21-L23 PolarHBondContact O-N 3.45Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.01Å; L23-L26 PolarHBondContact O-N 2.74Å; L23-E27 HydrophobicContact CD1-CG 4.33Å; L23-E27 HydrophobicContact CG-CG 4.44Å; L23-E27 WeakPolarHBondContact O-CG 3.31Å; L23-E27 PolarHBondContact O-N 2.92Å; L23-G232 WeakPolarHBondContact CD2-O 3.46Å; L23-T361 HydrophobicContact CD1-CG2 4.2Å; L23-T361 WeakPolarHBondContact CD1-O 3.42Å
24	Y	95.4	Very high	95.4	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-40.6	176.8	-64.6	-25.8	0	0	0	112.6	C20 W21 L26 E27 H28 F52 V235 T239	C20-Y24 HydrophobicContact CB-CE2 4.38Å; C20-Y24 WeakPolarHBondContact O-CD2 3.37Å; C20-Y24 VanDerWaalsContact O-CG 3.29Å; C20-Y24 PolarHBondContact O-N 3.33Å; W21-Y24 HydrophobicContact CD2-CD2 4.05Å; W21-Y24 AromaticContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CH2-CD2 4.5Å; W21-Y24 AromaticContact CZ3-CD2 3.97Å; W21-Y24 HydrophobicContact CZ3-CD2 3.97Å; W21-Y24 PolarHBondContact O-N 3.45Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; Y24-L26 PolarHBondContact O-N 2.83Å; Y24-E27 PolarHBondContact O-N 2.8Å; Y24-H28 PolarHBondContact O-CD2 3.1Å; Y24-H28 VanDerWaalsContact O-CD2 3.23Å; Y24-H28 PolarHBondContact O-N 3.49Å; Y24-F52 HydrophobicContact CD2-CD2 4.09Å; Y24-F52 HydrophobicContact CE1-CE2 4.33Å; Y24-F52 AromaticContact CE2-CD2 3.79Å; Y24-F52 HydrophobicContact CE2-CD2 3.79Å; Y24-F52 AromaticContact CE2-CE2 3.94Å; Y24-F52 HydrophobicContact CE2-CE2 3.94Å; Y24-F52 AromaticContact CZ-CE2 3.77Å; Y24-V235 VanDerWaalsContact OH-CG1 3.22Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.22Å; Y24-T239 PolarHBondContact OH-OG1 2.85Å
25	C	95.4	Very high	95.2	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-45.9	174.1	-82	0	0	0	0	111.5	W21 E22 L23 H28 G29 I30 Y83 L86	W21-C25 WeakPolarHBondContact O-CB 3.5Å; W21-C25 PolarHBondContact O-N 2.87Å; W21-C25 PolarHBondContact O-SG 3.14Å; E22-C25 PolarHBondContact O-N 3.43Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.01Å; C25-H28 PolarHBondContact O-N 3.19Å; C25-G29 CarbonylContact O-C 3.57Å; C25-G29 WeakPolarHBondContact O-CA 3.46Å; C25-G29 PolarHBondContact O-N 2.97Å; C25-I30 HydrophobicContact CB-CB 4.41Å; C25-I30 VanDerWaalsContact CB-O 3.31Å; C25-I30 WeakPolarHBondContact CB-O 3.48Å; C25-I30 PolarHBondContact O-N 2.89Å; C25-Y83 HydrophobicContact CB-CE1 3.85Å; C25-L86 VanDerWaalsContact SG-CD2 3.55Å
26	L	94.5	Very high	94.7	Very high	62 Å²	62	27.9 Å²	27.9	33%	0.325	15%	0.151	S	C	.	.	H	α-helix	trans	-64.8	-39.3	177.5	-67.5	170.2	0	0	0	112.5	E22 L23 Y24 T361 V363	E22-L26 HydrophobicContact CG-CD1 4.28Å; E22-L26 WeakPolarHBondContact O-CG 3.33Å; E22-L26 PolarHBondContact O-N 3.31Å; E22-L26 VanDerWaalsContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 2.74Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; Y24-L26 PolarHBondContact O-N 2.83Å; L26-T361 HydrophobicContact CB-CG2 3.75Å; L26-V363 HydrophobicContact CD1-CB 4.37Å; L26-V363 HydrophobicContact CD1-CG2 4.08Å
27	E	93.3	Very high	93.7	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-35.1	178.8	-73.1	-175.9	142.2	0	0	112.9	L23 Y24 S236 R243 F244 R320 T361	L23-E27 HydrophobicContact CD1-CG 4.33Å; L23-E27 HydrophobicContact CG-CG 4.44Å; L23-E27 WeakPolarHBondContact O-CG 3.31Å; L23-E27 PolarHBondContact O-N 2.92Å; Y24-E27 PolarHBondContact O-N 2.8Å; E27-S236 VanDerWaalsContact CD-OG 3.23Å; E27-S236 PolarHBondContact OE1-OG 3.46Å; E27-S236 PolarHBondContact OE2-OG 2.9Å; E27-S236 VanDerWaalsContact OE2-OG 3.07Å; E27-R243 IonicContact OE2-CZ 3.45Å; E27-R243 IonicContact OE2-NH1 2.94Å; E27-R243 PolarHBondContact OE2-NH1 3.33Å; E27-R243 IonicContact OE2-NH2 3.21Å; E27-R243 PolarHBondContact OE2-NH2 2.89Å; E27-F244 HydrophobicContact CB-CE2 4.45Å; E27-F244 HydrophobicContact CB-CZ 3.92Å; E27-R320 IonicContact OE1-CZ 2.73Å; E27-R320 IonicContact OE1-NH1 3.97Å; E27-R320 IonicContact OE1-NH2 3.72Å; E27-R320 PolarHBondContact OE1-NH2 2.79Å; E27-T361 HydrophobicContact CG-CG2 4.39Å; E27-T361 WeakPolarHBondContact CG-OG1 3.3Å
28	H	92	Very high	92.2	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-96.5	-1.9	179.5	-67.7	-69	0	0	0	114	Y24 C25 I30 F49 R243 F244	Y24-H28 PolarHBondContact O-CD2 3.1Å; Y24-H28 VanDerWaalsContact O-CD2 3.23Å; Y24-H28 PolarHBondContact O-N 3.49Å; C25-H28 PolarHBondContact O-N 3.19Å; H28-I30 VanDerWaalsContact C-N 3.27Å; H28-I30 HydrophobicContact CB-CD1 3.9Å; H28-I30 HydrophobicContact CB-CG1 4.08Å; H28-I30 PolarHBondContact O-N 3.41Å; H28-F49 HydrophobicContact CB-CB 4.32Å; H28-R243 PolarHBondContact NE2-NH1 3.49Å; H28-R243 VanDerWaalsContact NE2-NH1 3.13Å; H28-F244 AromaticContact CE1-CE1 3.42Å; H28-F244 VanDerWaalsContact CE1-CE1 3.42Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.48Å; H28-F244 AromaticContact CE1-CZ 3.46Å; H28-F244 VanDerWaalsContact CE1-CZ 3.46Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.41Å; H28-F244 AromaticContact ND1-CE1 3.76Å; H28-F244 AromaticContact ND1-CZ 3.98Å; H28-F244 AromaticContact NE2-CZ 3.77Å
29	G	91.3	Very high	90.2	Very high	32 Å²	32	41.3 Å²	41.3	33%	0.33	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	21.4	-176.8	0	0	0	0	0	114.4	C25 P37	C25-G29 CarbonylContact O-C 3.57Å; C25-G29 WeakPolarHBondContact O-CA 3.46Å; C25-G29 PolarHBondContact O-N 2.97Å; G29-P37 WeakPolarHBondContact O-CD 3.49Å
30	I	93.5	Very high	88.2	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	27%	0.272	C	S	.	.			trans	-82.9	126.6	176.8	-63.7	166.6	0	0	0	108.6	C25 H28 M36 F49 F53 H61 L86	C25-I30 HydrophobicContact CB-CB 4.41Å; C25-I30 VanDerWaalsContact CB-O 3.31Å; C25-I30 WeakPolarHBondContact CB-O 3.48Å; C25-I30 PolarHBondContact O-N 2.89Å; H28-I30 VanDerWaalsContact C-N 3.27Å; H28-I30 HydrophobicContact CB-CD1 3.9Å; H28-I30 HydrophobicContact CB-CG1 4.08Å; H28-I30 PolarHBondContact O-N 3.41Å; I30-M36 HydrophobicContact CG1-CG 3.84Å; I30-M36 HydrophobicContact CG1-SD 4.16Å; I30-F49 HydrophobicContact CD1-CB 4.44Å; I30-F53 HydrophobicContact CD1-CD1 3.96Å; I30-F53 HydrophobicContact CD1-CD2 3.89Å; I30-F53 HydrophobicContact CD1-CE1 3.89Å; I30-F53 HydrophobicContact CD1-CE2 3.83Å; I30-F53 HydrophobicContact CD1-CG 3.96Å; I30-F53 HydrophobicContact CD1-CZ 3.83Å; I30-H61 HydrophobicContact CD1-CB 4.06Å; I30-H61 HydrophobicContact CG2-CB 4.42Å; I30-L86 HydrophobicContact CG2-CD1 4.17Å
31	Q	94.9	Very high	85.7	Confident	94 Å²	94	56.2 Å²	56.2	44%	0.439	31%	0.31	S	S	.	.			trans	-73.1	161.2	177.6	-62.7	-56.2	-51.8	0	0	111.3	D33 G34 Q35	Q31-D33 VanDerWaalsContact CB-OD1 3.3Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.47Å; Q31-D33 PolarHBondContact O-N 2.86Å; Q31-G34 PolarHBondContact O-N 2.97Å; Q31-Q35 WeakPolarHBondContact CB-O 3.49Å; Q31-Q35 WeakPolarHBondContact CG-O 3.3Å; Q31-Q35 PolarHBondContact N-O 3.25Å
32	P	95.5	Very high	83.2	Confident	36 Å²	36	63.9 Å²	63.9	23%	0.234	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.6	-179.5	-26.1	35.1	0	0	0	116.1	T82 Y83 L86	P32-T82 HydrophobicContact CB-CG2 4.19Å; P32-T82 WeakPolarHBondContact CB-O 3.37Å; P32-T82 HydrophobicContact CG-CG2 4.18Å; P32-Y83 HydrophobicContact CB-CD1 3.71Å; P32-Y83 HydrophobicContact CB-CE1 3.8Å; P32-Y83 HydrophobicContact CB-CG 4.22Å; P32-Y83 HydrophobicContact CG-CD1 4.29Å; P32-Y83 HydrophobicContact CG-CE1 3.86Å; P32-L86 WeakPolarHBondContact O-CB 3.3Å; P32-L86 PolarHBondContact O-N 3.26Å
33	D	94.6	Very high	80.8	Confident	58 Å²	58	64.3 Å²	64.3	31%	0.31	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.9	174.6	66.8	-6	0	0	0	113.9	Q31 Q35 K60 Q85	Q31-D33 VanDerWaalsContact CB-OD1 3.3Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.47Å; Q31-D33 PolarHBondContact O-N 2.86Å; D33-Q35 VanDerWaalsContact OD1-CB 3.3Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.28Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.34Å; D33-Q35 PolarHBondContact OD1-N 2.85Å; D33-Q35 WeakPolarHBondContact OD2-CG 3.48Å; D33-K60 WeakPolarHBondContact O-CE 3.41Å; D33-Q85 HydrophobicContact CB-CB 4.17Å
34	G	94.4	Very high	78.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	40%	0.403	C	S	.	.	S	Bend	trans	83.2	5.1	-177.6	0	0	0	0	0	114.6	Q31 H61	Q31-G34 PolarHBondContact O-N 2.97Å; G34-H61 WeakPolarHBondContact CA-O 3.46Å; G34-H61 PolarHBondContact O-N 3.13Å; G34-H61 PolarHBondContact O-ND1 3.31Å
35	Q	93.4	Very high	76.3	Confident	80 Å²	80	71.4 Å²	71.4	37%	0.374	44%	0.44	S	S	.	.			trans	-85.1	148.1	176.7	-61.7	-65.3	-25.8	0	0	111.2	Q31 D33	Q31-Q35 WeakPolarHBondContact CB-O 3.49Å; Q31-Q35 WeakPolarHBondContact CG-O 3.3Å; Q31-Q35 PolarHBondContact N-O 3.25Å; D33-Q35 VanDerWaalsContact OD1-CB 3.3Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.28Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.34Å; D33-Q35 PolarHBondContact OD1-N 2.85Å; D33-Q35 WeakPolarHBondContact OD2-CG 3.48Å
36	M	87.2	Confident	74.8	Confident	59 Å²	59	74.5 Å²	74.5	29%	0.291	46%	0.457	S	S	.	.			trans	-105.6	140.8	167	-70.5	-177.2	72.3	0	0	109.3	I30 S38 F49 H61	I30-M36 HydrophobicContact CG1-CG 3.84Å; I30-M36 HydrophobicContact CG1-SD 4.16Å; M36-S38 PolarHBondContact O-N 2.96Å; M36-F49 HydrophobicContact SD-CE1 4.35Å; M36-H61 VanDerWaalsContact SD-CE1 3.52Å
37	P	77.4	Confident	73.9	Confident	84 Å²	84	76.6 Å²	76.6	55%	0.545	47%	0.468	S	S	.	.			trans	-55.1	136.6	174.7	-23.3	32.9	0	0	0	111.5	G29 D39	G29-P37 WeakPolarHBondContact O-CD 3.49Å; P37-D39 PolarHBondContact O-N 3.12Å
38	S	65.8	Low	73.3	Confident	118 Å²	118	76.6 Å²	76.6	83%	0.825	47%	0.47	S	S	*	.	S	Bend	trans	-67.2	-16.8	-179.6	52	0	0	0	0	114	M36 K40	M36-S38 PolarHBondContact O-N 2.96Å; S38-K40 PolarHBondContact O-N 2.75Å; S38-K40 VanDerWaalsContact O-N 3.09Å
39	D	54.5	Low	72.9	Confident	137 Å²	137	76.8 Å²	76.8	73%	0.733	47%	0.471	S	S	*	.			trans	-75.7	97.3	-178.6	-107.9	-22.1	0	0	0	111.3	P37 T41	P37-D39 PolarHBondContact O-N 3.12Å; D39-T41 PolarHBondContact O-N 3.25Å
40	K	53.8	Low	72.8	Confident	200 Å²	200	76 Å²	76	87%	0.87	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	58	178.8	-70.7	-176.3	169.2	-176.7	0	115.2	S38	S38-K40 PolarHBondContact O-N 2.75Å; S38-K40 VanDerWaalsContact O-N 3.09Å
41	T	43.8	Very low	72.7	Confident	129 Å²	129	76.1 Å²	76.1	79%	0.791	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-5.4	169.7	39.9	0	0	0	0	116.1	D39	D39-T41 PolarHBondContact O-N 3.25Å
42	I	45.6	Very low	72.7	Confident	161 Å²	161	71.7 Å²	71.7	83%	0.826	44%	0.439	S	S	*	.	S	Bend	trans	-123.8	100.9	167.7	-51.6	175.8	0	0	0	106.9
43	G	45	Very low	72.7	Confident	55 Å²	55	70 Å²	70	57%	0.567	43%	0.428	S	S	*	.			trans	112	42	178.3	0	0	0	0	0	115.6	G45	G43-G45 PolarHBondContact O-N 3.46Å
44	G	42.5	Very low	72.6	Confident	79 Å²	79	68.1 Å²	68.1	81%	0.814	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	107.6	171.9	0	0	0	0	0	111.6	D46	G44-D46 PolarHBondContact O-N 3.14Å
45	G	52.9	Low	72.4	Confident	75 Å²	75	73.7 Å²	73.7	77%	0.773	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	16.5	168.7	0	0	0	0	0	116.3	G43 D47	G43-G45 PolarHBondContact O-N 3.46Å; G45-D47 PolarHBondContact O-N 2.91Å
46	D	65.7	Low	72.2	Confident	67 Å²	67	72.6 Å²	72.6	36%	0.358	44%	0.444	S	S	.	.			trans	-84.8	91.1	179.6	-173.7	17.8	0	0	0	110.1	G44 S48 F49	G44-D46 PolarHBondContact O-N 3.14Å; D46-S48 PolarHBondContact O-N 3.45Å; D46-S48 VanDerWaalsContact O-N 3.07Å; D46-S48 WeakPolarHBondContact OD1-CB 3.36Å; D46-S48 PolarHBondContact OD1-N 2.96Å; D46-S48 PolarHBondContact OD1-OG 3.29Å; D46-S48 PolarHBondContact OD2-OG 2.78Å; D46-F49 WeakPolarHBondContact O-CD1 3.3Å; D46-F49 WeakPolarHBondContact O-CE1 3.45Å
47	D	74.9	Confident	72.1	Confident	105 Å²	105	74.4 Å²	74.4	56%	0.561	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-70.2	8.3	175.8	-74.2	-23	0	0	0	113.1	G45 F49 N50	G45-D47 PolarHBondContact O-N 2.91Å; D47-F49 VanDerWaalsContact C-N 3.26Å; D47-F49 PolarHBondContact O-N 2.83Å; D47-N50 WeakPolarHBondContact CB-ND2 3.28Å; D47-N50 VanDerWaalsContact O-CB 3.23Å; D47-N50 WeakPolarHBondContact O-CB 3.29Å; D47-N50 PolarHBondContact O-N 2.96Å; D47-N50 PolarHBondContact O-ND2 3.09Å
48	S	80.5	Confident	72.6	Confident	17 Å²	17	74.4 Å²	74.4	12%	0.119	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-63.7	-26.8	-172.3	67	0	0	0	0	115.1	D46 N50 T51 R243	D46-S48 PolarHBondContact O-N 3.45Å; D46-S48 VanDerWaalsContact O-N 3.07Å; D46-S48 WeakPolarHBondContact OD1-CB 3.36Å; D46-S48 PolarHBondContact OD1-N 2.96Å; D46-S48 PolarHBondContact OD1-OG 3.29Å; D46-S48 PolarHBondContact OD2-OG 2.78Å; S48-N50 PolarHBondContact O-N 3.49Å; S48-T51 WeakPolarHBondContact O-CB 3.22Å; S48-T51 PolarHBondContact O-N 3.32Å; S48-T51 PolarHBondContact O-OG1 3.08Å; S48-R243 WeakPolarHBondContact CB-O 3.34Å; S48-R243 PolarHBondContact OG-O 2.8Å
49	F	84	Confident	73.6	Confident	22 Å²	22	70 Å²	70	10%	0.096	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.6	172.8	55.1	-99.2	0	0	0	111.9	H28 I30 M36 D46 D47 T51 F52 F53 H61	H28-F49 HydrophobicContact CB-CB 4.32Å; I30-F49 HydrophobicContact CD1-CB 4.44Å; M36-F49 HydrophobicContact SD-CE1 4.35Å; D46-F49 WeakPolarHBondContact O-CD1 3.3Å; D46-F49 WeakPolarHBondContact O-CE1 3.45Å; D47-F49 VanDerWaalsContact C-N 3.26Å; D47-F49 PolarHBondContact O-N 2.83Å; F49-T51 PolarHBondContact O-N 3.07Å; F49-F52 PolarHBondContact O-N 2.85Å; F49-F53 HydrophobicContact CB-CD2 4.19Å; F49-F53 WeakPolarHBondContact O-CD2 3.42Å; F49-F53 PolarHBondContact O-N 2.84Å; F49-H61 AromaticContact CD2-CD2 3.52Å; F49-H61 AromaticContact CD2-NE2 3.86Å; F49-H61 AromaticContact CE2-CD2 3.37Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.48Å; F49-H61 AromaticContact CE2-NE2 3.25Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.23Å; F49-H61 AromaticContact CZ-NE2 3.65Å
50	N	89.4	Confident	75.4	Confident	16 Å²	16	66.1 Å²	66.1	9%	0.086	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-64.1	-16.5	-177.9	-68.5	-54.4	0	0	0	113.7	M1 D47 S48 F52 F53 R64	M1-N50 HydrophobicContact CE-CB 3.69Å; M1-N50 HydrophobicContact CG-CB 4.44Å; M1-N50 HydrophobicContact SD-CB 3.28Å; M1-N50 WeakPolarHBondContact SD-CB 3.43Å; D47-N50 WeakPolarHBondContact CB-ND2 3.28Å; D47-N50 VanDerWaalsContact O-CB 3.23Å; D47-N50 WeakPolarHBondContact O-CB 3.29Å; D47-N50 PolarHBondContact O-N 2.96Å; D47-N50 PolarHBondContact O-ND2 3.09Å; S48-N50 PolarHBondContact O-N 3.49Å; N50-F52 VanDerWaalsContact C-N 3.26Å; N50-F52 PolarHBondContact O-N 2.74Å; N50-F53 CarbonylContact C-O 3.55Å; N50-F53 VanDerWaalsContact CA-O 3.26Å; N50-F53 WeakPolarHBondContact CA-O 3.39Å; N50-R64 PolarHBondContact O-NE 3.36Å; N50-R64 PolarHBondContact O-NH2 3.19Å
51	T	91.1	Very high	77.4	Confident	7 Å²	7	57 Å²	57	4%	0.043	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-54.8	-42.2	169.7	-71.2	0	0	0	0	111.7	R2 E3 C4 S48 F49 L242 R243	R2-T51 WeakPolarHBondContact O-CG2 3.25Å; E3-T51 WeakPolarHBondContact CA-O 3.36Å; C4-T51 PolarHBondContact N-O 2.65Å; S48-T51 WeakPolarHBondContact O-CB 3.22Å; S48-T51 PolarHBondContact O-N 3.32Å; S48-T51 PolarHBondContact O-OG1 3.08Å; F49-T51 PolarHBondContact O-N 3.07Å; T51-L242 HydrophobicContact CG2-CB 3.93Å; T51-L242 PolarHBondContact OG1-O 3.27Å; T51-R243 HydrophobicContact CG2-CG 4.08Å
52	F	94.4	Very high	79.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-12.5	-177.3	-69.7	-15.6	0	0	0	114.5	C4 W21 Y24 F49 N50 P63 R64 L136 T239 R243	C4-F52 HydrophobicContact CB-CD1 4.07Å; C4-F52 HydrophobicContact CB-CE1 3.66Å; W21-F52 HydrophobicContact CH2-CB 3.88Å; W21-F52 WeakPolarHBondContact CH2-O 3.49Å; W21-F52 HydrophobicContact CZ3-CB 4.02Å; Y24-F52 HydrophobicContact CD2-CD2 4.09Å; Y24-F52 HydrophobicContact CE1-CE2 4.33Å; Y24-F52 AromaticContact CE2-CD2 3.79Å; Y24-F52 HydrophobicContact CE2-CD2 3.79Å; Y24-F52 AromaticContact CE2-CE2 3.94Å; Y24-F52 HydrophobicContact CE2-CE2 3.94Å; Y24-F52 AromaticContact CZ-CE2 3.77Å; F49-F52 PolarHBondContact O-N 2.85Å; N50-F52 VanDerWaalsContact C-N 3.26Å; N50-F52 PolarHBondContact O-N 2.74Å; F52-P63 CarbonylContact O-C 3.56Å; F52-R64 WeakPolarHBondContact O-CB 3.38Å; F52-R64 PolarHBondContact O-N 2.89Å; F52-L136 HydrophobicContact CE1-CD1 4.2Å; F52-L136 HydrophobicContact CZ-CD1 3.98Å; F52-T239 HydrophobicContact CE2-CG2 3.87Å; F52-T239 HydrophobicContact CZ-CG2 3.56Å; F52-R243 VanDerWaalsContact CD2-CD 3.42Å; F52-R243 HydrophobicContact CD2-CG 4.15Å; F52-R243 HydrophobicContact CE2-CG 3.97Å; F52-R243 HydrophobicContact CZ-CG 4.4Å
53	F	95.1	Very high	82.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.1	176.4	-63.5	-94.5	0	0	0	110.2	W21 I30 F49 N50 H61 V62 P63 R64 L86	W21-F53 HydrophobicContact CE3-CE1 4.04Å; W21-F53 HydrophobicContact CE3-CE2 4.37Å; W21-F53 AromaticContact CE3-CZ 3.71Å; W21-F53 HydrophobicContact CE3-CZ 3.71Å; W21-F53 HydrophobicContact CZ3-CD1 4.45Å; W21-F53 HydrophobicContact CZ3-CD2 4.44Å; W21-F53 AromaticContact CZ3-CE1 3.93Å; W21-F53 HydrophobicContact CZ3-CE1 3.93Å; W21-F53 AromaticContact CZ3-CE2 3.92Å; W21-F53 HydrophobicContact CZ3-CE2 3.92Å; W21-F53 AromaticContact CZ3-CZ 3.64Å; W21-F53 HydrophobicContact CZ3-CZ 3.64Å; I30-F53 HydrophobicContact CD1-CD1 3.96Å; I30-F53 HydrophobicContact CD1-CD2 3.89Å; I30-F53 HydrophobicContact CD1-CE1 3.89Å; I30-F53 HydrophobicContact CD1-CE2 3.83Å; I30-F53 HydrophobicContact CD1-CG 3.96Å; I30-F53 HydrophobicContact CD1-CZ 3.83Å; F49-F53 HydrophobicContact CB-CD2 4.19Å; F49-F53 WeakPolarHBondContact O-CD2 3.42Å; F49-F53 PolarHBondContact O-N 2.84Å; N50-F53 CarbonylContact C-O 3.55Å; N50-F53 VanDerWaalsContact CA-O 3.26Å; N50-F53 WeakPolarHBondContact CA-O 3.39Å; F53-H61 HydrophobicContact CB-CB 4.26Å; F53-H61 HydrophobicContact CD1-CB 4.16Å; F53-H61 HydrophobicContact CG-CB 4.46Å; F53-V62 CarbonylContact C-O 3.43Å; F53-V62 WeakPolarHBondContact CA-O 3.3Å; F53-P63 HydrophobicContact CD1-CG 4.12Å; F53-P63 HydrophobicContact CE1-CG 3.8Å; F53-R64 PolarHBondContact O-NE 3.07Å; F53-L86 HydrophobicContact CE1-CD1 4.28Å
54	S	93.3	Very high	84.8	Confident	20 Å²	20	41.6 Å²	41.6	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.7	164.8	59.9	0	0	0	0	108.7	V62	S54-V62 PolarHBondContact N-O 2.86Å; S54-V62 PolarHBondContact O-N 3.38Å; S54-V62 PolarHBondContact OG-O 3.23Å
55	E	90.7	Very high	87.5	Confident	117 Å²	117	37.8 Å²	37.8	55%	0.547	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.7	172.7	-164.5	-174.8	171.5	0	0	110.2
56	T	89.3	Confident	89.7	Confident	56 Å²	56	34.2 Å²	34.2	34%	0.344	22%	0.22	S	C	.	.			trans	-83.1	162.3	173.4	63.9	0	0	0	0	110.8	A58 G59 K60 V62	T56-A58 PolarHBondContact O-N 2.83Å; T56-G59 PolarHBondContact O-N 3.42Å; T56-K60 PolarHBondContact N-O 2.93Å; T56-K60 WeakPolarHBondContact OG1-CB 3.22Å; T56-K60 PolarHBondContact OG1-N 3.34Å; T56-K60 PolarHBondContact OG1-O 3.48Å; T56-K60 VanDerWaalsContact OG1-O 3.08Å; T56-V62 HydrophobicContact CG2-CG2 3.76Å
57	G	85	Confident	91.2	Very high	97 Å²	97	31 Å²	31	100%	1	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-11.1	175.8	0	0	0	0	0	115.5
58	A	87.3	Confident	92.3	Very high	84 Å²	84	26 Å²	26	69%	0.694	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	7.8	173.8	0	0	0	0	0	113.5	T56 K60	T56-A58 PolarHBondContact O-N 2.83Å; A58-K60 VanDerWaalsContact C-N 3.28Å; A58-K60 PolarHBondContact O-N 3.24Å
59	G	87.3	Confident	93.2	Very high	25 Å²	25	25.4 Å²	25.4	26%	0.258	17%	0.172	S	C	.	.	S	Bend	trans	78.1	6.7	-179.1	0	0	0	0	0	115	T56 H61	T56-G59 PolarHBondContact O-N 3.42Å; G59-H61 PolarHBondContact O-ND1 3.37Å
60	K	92.4	Very high	93.8	Very high	56 Å²	56	24.4 Å²	24.4	24%	0.243	17%	0.168	C	C	.	.			trans	-82.2	133.8	176.8	177.9	-178.9	172.9	177.3	0	110.6	D33 T56 A58 V62 Q85	D33-K60 WeakPolarHBondContact O-CE 3.41Å; T56-K60 PolarHBondContact N-O 2.93Å; T56-K60 WeakPolarHBondContact OG1-CB 3.22Å; T56-K60 PolarHBondContact OG1-N 3.34Å; T56-K60 PolarHBondContact OG1-O 3.48Å; T56-K60 VanDerWaalsContact OG1-O 3.08Å; A58-K60 VanDerWaalsContact C-N 3.28Å; A58-K60 PolarHBondContact O-N 3.24Å; K60-V62 HydrophobicContact CD-CG2 4.35Å; K60-V62 HydrophobicContact CG-CG2 4.2Å; K60-Q85 WeakPolarHBondContact CE-O 3.11Å; K60-Q85 PolarHBondContact NZ-O 3.07Å
61	H	94.2	Very high	94.1	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.046	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.9	175.7	-59.7	78.9	0	0	0	109.7	I30 G34 M36 F49 F53 G59	I30-H61 HydrophobicContact CD1-CB 4.06Å; I30-H61 HydrophobicContact CG2-CB 4.42Å; G34-H61 WeakPolarHBondContact CA-O 3.46Å; G34-H61 PolarHBondContact O-N 3.13Å; G34-H61 PolarHBondContact O-ND1 3.31Å; M36-H61 VanDerWaalsContact SD-CE1 3.52Å; F49-H61 AromaticContact CD2-CD2 3.52Å; F49-H61 AromaticContact CD2-NE2 3.86Å; F49-H61 AromaticContact CE2-CD2 3.37Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.48Å; F49-H61 AromaticContact CE2-NE2 3.25Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.23Å; F49-H61 AromaticContact CZ-NE2 3.65Å; F53-H61 HydrophobicContact CB-CB 4.26Å; F53-H61 HydrophobicContact CD1-CB 4.16Å; F53-H61 HydrophobicContact CG-CB 4.46Å; G59-H61 PolarHBondContact O-ND1 3.37Å
62	V	96.4	Very high	94.3	Very high	8 Å²	8	28.2 Å²	28.2	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.9	-177.5	179.9	0	0	0	0	108.8	F53 S54 T56 K60 H88	F53-V62 CarbonylContact C-O 3.43Å; F53-V62 WeakPolarHBondContact CA-O 3.3Å; S54-V62 PolarHBondContact N-O 2.86Å; S54-V62 PolarHBondContact O-N 3.38Å; S54-V62 PolarHBondContact OG-O 3.23Å; T56-V62 HydrophobicContact CG2-CG2 3.76Å; K60-V62 HydrophobicContact CD-CG2 4.35Å; K60-V62 HydrophobicContact CG-CG2 4.2Å; V62-H88 HydrophobicContact CG1-CB 4.05Å
63	P	97.5	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	139.5	174.6	-32.7	39.7	0	0	0	113.7	W21 F52 F53 A65 L86 F87 Q91	W21-P63 HydrophobicContact CD2-CB 4.05Å; W21-P63 HydrophobicContact CD2-CG 4.18Å; W21-P63 HydrophobicContact CE3-CB 3.77Å; W21-P63 HydrophobicContact CE3-CG 3.76Å; W21-P63 HydrophobicContact CH2-CB 3.62Å; W21-P63 HydrophobicContact CH2-CG 4.47Å; W21-P63 HydrophobicContact CZ2-CB 3.89Å; W21-P63 HydrophobicContact CZ3-CB 3.54Å; W21-P63 HydrophobicContact CZ3-CG 3.91Å; F52-P63 CarbonylContact O-C 3.56Å; F53-P63 HydrophobicContact CD1-CG 4.12Å; F53-P63 HydrophobicContact CE1-CG 3.8Å; P63-A65 HydrophobicContact CB-CB 3.88Å; P63-A65 PolarHBondContact O-N 3.5Å; P63-L86 WeakPolarHBondContact CD-O 3.25Å; P63-L86 HydrophobicContact CG-CD1 4.27Å; P63-L86 HydrophobicContact CG-CD2 3.72Å; P63-L86 HydrophobicContact CG-CG 3.63Å; P63-F87 HydrophobicContact CB-CD1 3.95Å; P63-F87 HydrophobicContact CB-CE1 3.97Å; P63-F87 HydrophobicContact CG-CD1 3.73Å; P63-F87 HydrophobicContact CG-CE1 3.67Å; P63-Q91 PolarHBondContact O-OE1 3.05Å
64	R	97.4	Very high	94.4	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.045	21%	0.212	C	C	.	.	S	Bend	trans	-81.3	64.4	164	-61.7	179.1	-168.4	-94.2	10	108.4	E3 C4 I5 S6 N50 F52 F53 Q128 C129	E3-R64 IonicContact OE1-CZ 3.56Å; E3-R64 IonicContact OE1-NH1 3.33Å; E3-R64 IonicContact OE1-NH2 3.93Å; E3-R64 PolarHBondContact OE1-NH2 2.95Å; C4-R64 WeakPolarHBondContact O-CB 3.48Å; I5-R64 WeakPolarHBondContact CA-O 3.45Å; S6-R64 PolarHBondContact N-O 3.04Å; N50-R64 PolarHBondContact O-NE 3.36Å; N50-R64 PolarHBondContact O-NH2 3.19Å; F52-R64 WeakPolarHBondContact O-CB 3.38Å; F52-R64 PolarHBondContact O-N 2.89Å; F53-R64 PolarHBondContact O-NE 3.07Å; R64-Q128 PolarHBondContact NH1-O 3.3Å; R64-C129 PolarHBondContact NH1-SG 2.92Å
65	A	98.2	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.1	-174.5	0	0	0	0	0	111.2	S6 W21 P63 F67 Q91	S6-A65 CarbonylContact O-C 3Å; S6-A65 WeakPolarHBondContact O-CA 3.46Å; W21-A65 HydrophobicContact CH2-CB 4.45Å; W21-A65 HydrophobicContact CZ2-CB 3.56Å; P63-A65 HydrophobicContact CB-CB 3.88Å; P63-A65 PolarHBondContact O-N 3.5Å; A65-F67 HydrophobicContact CB-CD2 4.28Å; A65-F67 HydrophobicContact CB-CE2 3.78Å; A65-Q91 VanDerWaalsContact O-CB 3.24Å; A65-Q91 WeakPolarHBondContact O-CB 3.34Å; A65-Q91 VanDerWaalsContact O-CG 3.25Å; A65-Q91 WeakPolarHBondContact O-CG 3.44Å; A65-Q91 PolarHBondContact O-OE1 3.02Å
66	V	98.6	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.1	163.1	-175.5	0	0	0	0	107.4	S6 V7 H8 V68 I93 V118 I122 L125	S6-V66 PolarHBondContact O-N 3.41Å; V7-V66 WeakPolarHBondContact CA-O 3.17Å; H8-V66 PolarHBondContact N-O 3.14Å; V66-V68 HydrophobicContact CG1-CG2 3.66Å; V66-I93 HydrophobicContact CG1-CD1 3.67Å; V66-I93 HydrophobicContact CG1-CG1 4.42Å; V66-V118 HydrophobicContact CG1-CG1 4.4Å; V66-I122 HydrophobicContact CG2-CG1 3.97Å; V66-L125 HydrophobicContact CG2-CD1 3.6Å
67	F	98.7	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.4	172.5	-70.1	-103.5	0	0	0	107.9	H8 V14 W21 A65 F87 Q91 L92 I93	H8-F67 HydrophobicContact CB-CD1 3.6Å; H8-F67 HydrophobicContact CB-CE1 3.85Å; H8-F67 HydrophobicContact CB-CG 4.1Å; H8-F67 AromaticContact CD2-CE1 3.81Å; H8-F67 AromaticContact CD2-CE2 3.84Å; H8-F67 AromaticContact CD2-CZ 3.63Å; H8-F67 AromaticContact CG-CE1 3.78Å; H8-F67 WeakPolarHBondContact O-CA 3.48Å; V14-F67 HydrophobicContact CB-CD1 4.23Å; V14-F67 HydrophobicContact CG1-CD1 3.97Å; V14-F67 HydrophobicContact CG2-CB 4.49Å; V14-F67 HydrophobicContact CG2-CD1 4.1Å; W21-F67 AromaticContact CD1-CZ 3.62Å; W21-F67 AromaticContact NE1-CZ 3.82Å; A65-F67 HydrophobicContact CB-CD2 4.28Å; A65-F67 HydrophobicContact CB-CE2 3.78Å; F67-F87 HydrophobicContact CD2-CD1 4.34Å; F67-F87 HydrophobicContact CD2-CE1 4.45Å; F67-F87 AromaticContact CE2-CD1 3.61Å; F67-F87 HydrophobicContact CE2-CD1 3.61Å; F67-F87 AromaticContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CG 4.38Å; F67-F87 AromaticContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CZ-CD1 4.35Å; F67-F87 AromaticContact CZ-CE1 3.7Å; F67-F87 HydrophobicContact CZ-CE1 3.7Å; F67-F87 AromaticContact CZ-CZ 3.84Å; F67-F87 HydrophobicContact CZ-CZ 3.84Å; F67-Q91 PolarHBondContact N-O 3.14Å; F67-L92 HydrophobicContact CB-CD2 3.8Å; F67-L92 HydrophobicContact CD2-CD2 3.7Å; F67-L92 HydrophobicContact CG-CD2 3.9Å; F67-I93 PolarHBondContact O-N 3.44Å
68	V	98.4	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.9	-177.7	-167.1	0	0	0	0	109.6	H8 V9 G10 V66 I93 V118 F149	H8-V68 PolarHBondContact O-N 3.24Å; V9-V68 WeakPolarHBondContact CA-O 3.46Å; G10-V68 PolarHBondContact N-O 3.04Å; V66-V68 HydrophobicContact CG1-CG2 3.66Å; V68-I93 WeakPolarHBondContact CA-O 3.16Å; V68-I93 HydrophobicContact CG1-CB 4.48Å; V68-I93 HydrophobicContact CG1-CG2 4.4Å; V68-I93 HydrophobicContact CG2-CB 4.33Å; V68-I93 HydrophobicContact CG2-CD1 4.43Å; V68-V118 HydrophobicContact CB-CG2 4.42Å; V68-V118 HydrophobicContact CG1-CG2 3.8Å; V68-V118 HydrophobicContact CG2-CB 4.46Å; V68-V118 HydrophobicContact CG2-CG1 3.87Å; V68-V118 HydrophobicContact CG2-CG2 3.7Å; V68-F149 HydrophobicContact CB-CE1 4.17Å; V68-F149 HydrophobicContact CG1-CD1 4.28Å; V68-F149 HydrophobicContact CG1-CE1 3.65Å; V68-F149 HydrophobicContact CG1-CZ 4.17Å
69	D	98.1	Very high	96.4	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.7	157.9	-154.4	-22.8	0	0	0	110	G10 Q11 E71 V74 V75 I93 T94 G95 T145	G10-D69 VanDerWaalsContact C-OD2 3.29Å; G10-D69 WeakPolarHBondContact CA-OD2 3.39Å; Q11-D69 PolarHBondContact N-OD2 3.27Å; D69-E71 WeakPolarHBondContact CB-O 3.42Å; D69-E71 PolarHBondContact O-N 2.95Å; D69-V74 HydrophobicContact CB-CG2 3.95Å; D69-V74 WeakPolarHBondContact OD2-CG2 3.45Å; D69-V75 HydrophobicContact CB-CG2 3.98Å; D69-I93 PolarHBondContact N-O 2.87Å; D69-T94 CarbonylContact O-C 3.53Å; D69-T94 VanDerWaalsContact O-CA 3.23Å; D69-T94 WeakPolarHBondContact O-CA 3.39Å; D69-G95 PolarHBondContact O-N 3.4Å; D69-T145 WeakPolarHBondContact OD1-CB 3.28Å; D69-T145 WeakPolarHBondContact OD1-CG2 3.37Å; D69-T145 PolarHBondContact OD1-OG1 2.93Å
70	L	97.6	Very high	96.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.154	C	C	.	.	S	Bend	trans	-76.3	-17.6	179.1	-58.5	-175.2	0	0	0	111.6	G95 K96 E97 A99 I110 I114 T145 F149	L70-G95 CarbonylContact O-C 3.57Å; L70-G95 WeakPolarHBondContact O-CA 3.36Å; L70-G95 PolarHBondContact O-N 3.42Å; L70-K96 PolarHBondContact O-N 3.5Å; L70-E97 CarbonylContact C-O 3.25Å; L70-E97 VanDerWaalsContact C-O 3.27Å; L70-E97 WeakPolarHBondContact CB-O 3.46Å; L70-E97 CarbonylContact O-C 3.42Å; L70-E97 PolarHBondContact O-N 2.92Å; L70-A99 HydrophobicContact CD1-CB 4.12Å; L70-I110 HydrophobicContact CB-CG2 4.13Å; L70-I110 HydrophobicContact CD1-CB 4.11Å; L70-I110 HydrophobicContact CD1-CG2 3.95Å; L70-I110 HydrophobicContact CD2-CG2 4.29Å; L70-I110 HydrophobicContact CG-CG2 4.34Å; L70-I114 HydrophobicContact CD2-CG2 3.52Å; L70-T145 HydrophobicContact CD1-CG2 4.45Å; L70-T145 HydrophobicContact CG-CG2 3.87Å; L70-F149 HydrophobicContact CD1-CB 4.5Å; L70-F149 HydrophobicContact CD2-CD2 4.39Å; L70-F149 HydrophobicContact CD2-CG 4.46Å
71	E	95.2	Very high	96.9	Very high	55 Å²	55	28.5 Å²	28.5	26%	0.257	16%	0.157	S	C	.	.	S	Bend	trans	-118.6	160	169.8	66.3	143.4	150.6	0	0	112	D69 T73 D98	D69-E71 WeakPolarHBondContact CB-O 3.42Å; D69-E71 PolarHBondContact O-N 2.95Å; E71-T73 WeakPolarHBondContact OE2-CB 3.26Å; E71-T73 PolarHBondContact OE2-OG1 2.68Å; E71-D98 HydrophobicContact CB-CB 3.86Å; E71-D98 HydrophobicContact CG-CB 4Å
72	P	95.7	Very high	97	Very high	48 Å²	48	33.4 Å²	33.4	31%	0.312	19%	0.188	S	C	.	.	S	Bend	trans	-80.2	-21.9	-169.6	30.4	-35.4	0	0	0	115	V74 V75 D76 T94	P72-V74 PolarHBondContact O-N 3.46Å; P72-V75 PolarHBondContact O-N 2.81Å; P72-D76 WeakPolarHBondContact O-CB 3.23Å; P72-D76 PolarHBondContact O-N 2.7Å; P72-T94 HydrophobicContact CB-CG2 4.37Å
73	T	95.5	Very high	97	Very high	76 Å²	76	33.9 Å²	33.9	47%	0.466	19%	0.189	S	C	.	.	H	α-helix	trans	-48.9	-59.1	-161.8	-57.3	0	0	0	0	114.2	E71 D76 E77	E71-T73 WeakPolarHBondContact OE2-CB 3.26Å; E71-T73 PolarHBondContact OE2-OG1 2.68Å; T73-D76 PolarHBondContact O-N 3.07Å; T73-E77 PolarHBondContact O-N 3.1Å
74	V	96.2	Very high	96.8	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.03	22%	0.215	C	C	.	.	H	α-helix	trans	-76	-29.4	-173.2	-67	0	0	0	0	113.5	Q11 V14 D69 P72 E77	Q11-V74 HydrophobicContact CB-CG1 3.96Å; Q11-V74 HydrophobicContact CG-CG1 3.8Å; V14-V74 HydrophobicContact CB-CB 4.42Å; V14-V74 HydrophobicContact CB-CG2 4.15Å; V14-V74 HydrophobicContact CG1-CB 4.1Å; V14-V74 HydrophobicContact CG1-CG2 4.16Å; V14-V74 WeakPolarHBondContact CG1-O 3.45Å; V14-V74 HydrophobicContact CG2-CG2 4.21Å; D69-V74 HydrophobicContact CB-CG2 3.95Å; D69-V74 WeakPolarHBondContact OD2-CG2 3.45Å; P72-V74 PolarHBondContact O-N 3.46Å; V74-E77 WeakPolarHBondContact O-CB 3.47Å; V74-E77 PolarHBondContact O-N 3.22Å
75	V	97.9	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-76.8	-32	176	-179.7	0	0	0	0	109.9	V14 D69 P72 E77 V78 R79 L92 T94	V14-V75 HydrophobicContact CG1-CG2 4.43Å; V14-V75 HydrophobicContact CG2-CG2 3.99Å; D69-V75 HydrophobicContact CB-CG2 3.98Å; P72-V75 PolarHBondContact O-N 2.81Å; V75-E77 VanDerWaalsContact C-N 3.27Å; V75-E77 PolarHBondContact O-N 2.85Å; V75-V78 WeakPolarHBondContact O-CA 3.36Å; V75-V78 WeakPolarHBondContact O-CB 3.48Å; V75-V78 PolarHBondContact O-N 3.19Å; V75-R79 WeakPolarHBondContact O-CG 3.5Å; V75-R79 PolarHBondContact O-N 3.37Å; V75-L92 HydrophobicContact CG1-CB 3.76Å; V75-L92 HydrophobicContact CG1-CD2 4.45Å; V75-T94 HydrophobicContact CB-CG2 3.39Å; V75-T94 HydrophobicContact CG1-CG2 3.67Å; V75-T94 HydrophobicContact CG2-CG2 3.72Å
76	D	97.3	Very high	96.7	Very high	63 Å²	63	45.1 Å²	45.1	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-32.2	172	-83.1	-12.4	0	0	0	112.4	P72 T73 V78 R79 T80	P72-D76 WeakPolarHBondContact O-CB 3.23Å; P72-D76 PolarHBondContact O-N 2.7Å; T73-D76 PolarHBondContact O-N 3.07Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 2.9Å; D76-R79 PolarHBondContact O-N 2.89Å; D76-R79 WeakPolarHBondContact OD1-CD 3.18Å; D76-R79 IonicContact OD1-CZ 2.81Å; D76-R79 IonicContact OD1-NE 2.79Å; D76-R79 IonicContact OD1-NH1 3.2Å; D76-R79 PolarHBondContact OD1-NH1 3.43Å; D76-T80 WeakPolarHBondContact O-CB 2.99Å; D76-T80 WeakPolarHBondContact O-CG2 3Å; D76-T80 PolarHBondContact O-N 3.44Å; D76-T80 PolarHBondContact O-OG1 3.42Å
77	E	97	Very high	96.6	Very high	100 Å²	100	45.4 Å²	45.4	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-37.8	169.8	-65.4	179.6	175.2	0	0	111.4	T73 V74 V75 T80 G81	T73-E77 PolarHBondContact O-N 3.1Å; V74-E77 WeakPolarHBondContact O-CB 3.47Å; V74-E77 PolarHBondContact O-N 3.22Å; V75-E77 VanDerWaalsContact C-N 3.27Å; V75-E77 PolarHBondContact O-N 2.85Å; E77-T80 PolarHBondContact O-N 3.23Å; E77-G81 WeakPolarHBondContact O-CA 3.18Å; E77-G81 PolarHBondContact O-N 3.14Å
78	V	97.1	Very high	96.5	Very high	3 Å²	3	49 Å²	49	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-68.8	-42.7	173.7	-175.7	0	0	0	0	110.8	V14 V75 D76 T80 R84 F87 L92	V14-V78 HydrophobicContact CG1-CG2 3.87Å; V75-V78 WeakPolarHBondContact O-CA 3.36Å; V75-V78 WeakPolarHBondContact O-CB 3.48Å; V75-V78 PolarHBondContact O-N 3.19Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 2.9Å; V78-T80 PolarHBondContact O-N 3.02Å; V78-R84 WeakPolarHBondContact O-CA 3.45Å; V78-F87 HydrophobicContact CG1-CD2 3.5Å; V78-F87 HydrophobicContact CG1-CE2 3.61Å; V78-F87 HydrophobicContact CG1-CG 4.39Å; V78-L92 HydrophobicContact CG1-CD1 4.36Å; V78-L92 HydrophobicContact CG1-CD2 4.1Å
79	R	96.9	Very high	96.4	Very high	79 Å²	79	53.8 Å²	53.8	30%	0.298	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-24.5	178.5	-67.2	176.3	-175	138.6	-2.2	113.3	V75 D76 R84 L92 T94	V75-R79 WeakPolarHBondContact O-CG 3.5Å; V75-R79 PolarHBondContact O-N 3.37Å; D76-R79 PolarHBondContact O-N 2.89Å; D76-R79 WeakPolarHBondContact OD1-CD 3.18Å; D76-R79 IonicContact OD1-CZ 2.81Å; D76-R79 IonicContact OD1-NE 2.79Å; D76-R79 IonicContact OD1-NH1 3.2Å; D76-R79 PolarHBondContact OD1-NH1 3.43Å; R79-R84 WeakPolarHBondContact O-CB 3.43Å; R79-L92 HydrophobicContact CG-CB 4.47Å; R79-L92 HydrophobicContact CG-CD1 3.58Å; R79-L92 PolarHBondContact NH2-O 3.41Å; R79-T94 PolarHBondContact NH1-OG1 3.23Å; R79-T94 VanDerWaalsContact NH2-CG2 3.33Å; R79-T94 PolarHBondContact NH2-OG1 2.77Å
80	T	96.7	Very high	96.3	Very high	105 Å²	105	58.1 Å²	58.1	64%	0.644	31%	0.305	S	S	*	.	H	α-helix	trans	-109.7	-14.6	-177.1	57.9	0	0	0	0	113.7	D76 E77 V78	D76-T80 WeakPolarHBondContact O-CB 2.99Å; D76-T80 WeakPolarHBondContact O-CG2 3Å; D76-T80 PolarHBondContact O-N 3.44Å; D76-T80 PolarHBondContact O-OG1 3.42Å; E77-T80 PolarHBondContact O-N 3.23Å; V78-T80 PolarHBondContact O-N 3.02Å
81	G	95.2	Very high	96.3	Very high	29 Å²	29	58.7 Å²	58.7	30%	0.299	31%	0.308	S	S	.	.	S	Bend	trans	-75.2	-176.8	-177.8	0	0	0	0	0	115.1	E77 Y83 R84	E77-G81 WeakPolarHBondContact O-CA 3.18Å; E77-G81 PolarHBondContact O-N 3.14Å; G81-Y83 VanDerWaalsContact C-N 3.27Å; G81-Y83 PolarHBondContact O-N 3.19Å; G81-R84 VanDerWaalsContact O-CB 3.28Å; G81-R84 WeakPolarHBondContact O-CB 3.43Å; G81-R84 VanDerWaalsContact O-CG 3.3Å; G81-R84 WeakPolarHBondContact O-CG 3.45Å; G81-R84 PolarHBondContact O-N 2.76Å; G81-R84 VanDerWaalsContact O-N 3.12Å
82	T	95.3	Very high	96.5	Very high	114 Å²	114	56.6 Å²	56.6	70%	0.699	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.9	-176.7	-51.9	0	0	0	0	112.9	P32	P32-T82 HydrophobicContact CB-CG2 4.19Å; P32-T82 WeakPolarHBondContact CB-O 3.37Å; P32-T82 HydrophobicContact CG-CG2 4.18Å
83	Y	95.7	Very high	96.6	Very high	18 Å²	18	54.7 Å²	54.7	7%	0.071	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	15.6	-177.1	-69.3	-88.1	0	0	0	113.7	E22 C25 P32 G81 Q85 L86	E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.86Å; C25-Y83 HydrophobicContact CB-CE1 3.85Å; P32-Y83 HydrophobicContact CB-CD1 3.71Å; P32-Y83 HydrophobicContact CB-CE1 3.8Å; P32-Y83 HydrophobicContact CB-CG 4.22Å; P32-Y83 HydrophobicContact CG-CD1 4.29Å; P32-Y83 HydrophobicContact CG-CE1 3.86Å; G81-Y83 VanDerWaalsContact C-N 3.27Å; G81-Y83 PolarHBondContact O-N 3.19Å; Y83-Q85 PolarHBondContact O-N 2.99Å; Y83-L86 HydrophobicContact CD1-CB 4.37Å; Y83-L86 HydrophobicContact CD1-CD2 3.86Å; Y83-L86 WeakPolarHBondContact O-CB 3.35Å; Y83-L86 PolarHBondContact O-N 3.03Å
84	R	95.2	Very high	96.7	Very high	144 Å²	144	53 Å²	53	54%	0.543	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.8	-178.2	65.2	-174.8	-176.3	173.7	-0.5	115	V78 R79 G81	V78-R84 WeakPolarHBondContact O-CA 3.45Å; R79-R84 WeakPolarHBondContact O-CB 3.43Å; G81-R84 VanDerWaalsContact O-CB 3.28Å; G81-R84 WeakPolarHBondContact O-CB 3.43Å; G81-R84 VanDerWaalsContact O-CG 3.3Å; G81-R84 WeakPolarHBondContact O-CG 3.45Å; G81-R84 PolarHBondContact O-N 2.76Å; G81-R84 VanDerWaalsContact O-N 3.12Å
85	Q	95.8	Very high	96.6	Very high	104 Å²	104	53.6 Å²	53.6	49%	0.486	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.6	179.3	-74.3	-179.3	-10.1	0	0	112.2	D33 K60 Y83	D33-Q85 HydrophobicContact CB-CB 4.17Å; K60-Q85 WeakPolarHBondContact CE-O 3.11Å; K60-Q85 PolarHBondContact NZ-O 3.07Å; Y83-Q85 PolarHBondContact O-N 2.99Å
86	L	97.1	Very high	96.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-48.8	-179	-175.5	67	0	0	0	111.6	C25 I30 P32 F53 P63 Y83	C25-L86 VanDerWaalsContact SG-CD2 3.55Å; I30-L86 HydrophobicContact CG2-CD1 4.17Å; P32-L86 WeakPolarHBondContact O-CB 3.3Å; P32-L86 PolarHBondContact O-N 3.26Å; F53-L86 HydrophobicContact CE1-CD1 4.28Å; P63-L86 WeakPolarHBondContact CD-O 3.25Å; P63-L86 HydrophobicContact CG-CD1 4.27Å; P63-L86 HydrophobicContact CG-CD2 3.72Å; P63-L86 HydrophobicContact CG-CG 3.63Å; Y83-L86 HydrophobicContact CD1-CB 4.37Å; Y83-L86 HydrophobicContact CD1-CD2 3.86Å; Y83-L86 WeakPolarHBondContact O-CB 3.35Å; Y83-L86 PolarHBondContact O-N 3.03Å
87	F	96.8	Very high	96	Very high	5 Å²	5	65.3 Å²	65.3	2%	0.022	33%	0.331	C	S	.	.	S	Bend	trans	-82.1	148.1	-171.5	-57.1	-76.1	0	0	0	112.6	W21 P63 F67 V78 L92	W21-F87 HydrophobicContact CB-CE1 4.24Å; W21-F87 HydrophobicContact CB-CZ 3.81Å; W21-F87 AromaticContact CD1-CE1 3.77Å; W21-F87 AromaticContact CD1-CZ 3.89Å; W21-F87 HydrophobicContact CD2-CE1 4.18Å; W21-F87 AromaticContact CG-CE1 3.8Å; W21-F87 HydrophobicContact CG-CE1 3.8Å; W21-F87 AromaticContact CG-CZ 3.84Å; W21-F87 HydrophobicContact CG-CZ 3.84Å; P63-F87 HydrophobicContact CB-CD1 3.95Å; P63-F87 HydrophobicContact CB-CE1 3.97Å; P63-F87 HydrophobicContact CG-CD1 3.73Å; P63-F87 HydrophobicContact CG-CE1 3.67Å; F67-F87 HydrophobicContact CD2-CD1 4.34Å; F67-F87 HydrophobicContact CD2-CE1 4.45Å; F67-F87 AromaticContact CE2-CD1 3.61Å; F67-F87 HydrophobicContact CE2-CD1 3.61Å; F67-F87 AromaticContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CG 4.38Å; F67-F87 AromaticContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CZ-CD1 4.35Å; F67-F87 AromaticContact CZ-CE1 3.7Å; F67-F87 HydrophobicContact CZ-CE1 3.7Å; F67-F87 AromaticContact CZ-CZ 3.84Å; F67-F87 HydrophobicContact CZ-CZ 3.84Å; V78-F87 HydrophobicContact CG1-CD2 3.5Å; V78-F87 HydrophobicContact CG1-CE2 3.61Å; V78-F87 HydrophobicContact CG1-CG 4.39Å; F87-L92 HydrophobicContact CB-CD1 4.22Å; F87-L92 HydrophobicContact CB-CD2 4Å; F87-L92 HydrophobicContact CB-CG 4.22Å; F87-L92 HydrophobicContact CG-CD2 4.3Å
88	H	96	Very high	95.7	Very high	76 Å²	76	64.1 Å²	64.1	35%	0.352	33%	0.328	S	S	.	.			trans	-71.5	128.4	171.2	-166.3	-83.9	0	0	0	109.5	V62 E90 Q91	V62-H88 HydrophobicContact CG1-CB 4.05Å; H88-E90 IonicContact CE1-OE2 2.77Å; H88-E90 PolarHBondContact CE1-OE2 3.42Å; H88-E90 WeakPolarHBondContact ND1-CB 3.15Å; H88-E90 PolarHBondContact ND1-N 3.17Å; H88-E90 PolarHBondContact O-N 3.19Å; H88-E90 VanDerWaalsContact O-N 3.12Å; H88-Q91 HydrophobicContact CB-CB 4.3Å; H88-Q91 VanDerWaalsContact CB-CD 3.41Å; H88-Q91 HydrophobicContact CB-CG 3.9Å; H88-Q91 WeakPolarHBondContact O-CB 3.48Å; H88-Q91 PolarHBondContact O-N 3.33Å
89	P	96.4	Very high	95.5	Very high	100 Å²	100	64.2 Å²	64.2	65%	0.649	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56	-35.6	-176.6	-28.5	35.6	0	0	0	114	Q91 L92	P89-Q91 PolarHBondContact O-N 3.44Å; P89-L92 PolarHBondContact O-N 2.92Å
90	E	96.7	Very high	95.3	Very high	95 Å²	95	63.2 Å²	63.2	44%	0.444	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-73.9	-9.4	178.2	-56.1	-172	125.5	0	0	114.8	H88 R121	H88-E90 IonicContact CE1-OE2 2.77Å; H88-E90 PolarHBondContact CE1-OE2 3.42Å; H88-E90 WeakPolarHBondContact ND1-CB 3.15Å; H88-E90 PolarHBondContact ND1-N 3.17Å; H88-E90 PolarHBondContact O-N 3.19Å; H88-E90 VanDerWaalsContact O-N 3.12Å; E90-R121 IonicContact OE1-CZ 3.71Å; E90-R121 IonicContact OE1-NH1 3.01Å; E90-R121 PolarHBondContact OE1-NH1 3.24Å; E90-R121 IonicContact OE1-NH2 2.62Å; E90-R121 PolarHBondContact OE1-NH2 3.49Å; E90-R121 IonicContact OE2-CZ 2.65Å; E90-R121 VanDerWaalsContact OE2-CZ 3.28Å; E90-R121 IonicContact OE2-NH1 2.81Å; E90-R121 PolarHBondContact OE2-NH1 3.11Å; E90-R121 IonicContact OE2-NH2 3.04Å; E90-R121 PolarHBondContact OE2-NH2 3.42Å
91	Q	97.5	Very high	95.2	Very high	14 Å²	14	61.9 Å²	61.9	7%	0.065	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-90.6	-9.6	172	-69.5	163.6	6.9	0	0	111.9	P63 A65 F67 H88 P89 L125	P63-Q91 PolarHBondContact O-OE1 3.05Å; A65-Q91 VanDerWaalsContact O-CB 3.24Å; A65-Q91 WeakPolarHBondContact O-CB 3.34Å; A65-Q91 VanDerWaalsContact O-CG 3.25Å; A65-Q91 WeakPolarHBondContact O-CG 3.44Å; A65-Q91 PolarHBondContact O-OE1 3.02Å; F67-Q91 PolarHBondContact N-O 3.14Å; H88-Q91 HydrophobicContact CB-CB 4.3Å; H88-Q91 VanDerWaalsContact CB-CD 3.41Å; H88-Q91 HydrophobicContact CB-CG 3.9Å; H88-Q91 WeakPolarHBondContact O-CB 3.48Å; H88-Q91 PolarHBondContact O-N 3.33Å; P89-Q91 PolarHBondContact O-N 3.44Å; Q91-L125 HydrophobicContact CG-CD1 4.44Å
92	L	98.3	Very high	95.2	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.052	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	88.9	174.6	-56.7	-177.7	0	0	0	107.9	F67 V75 V78 R79 F87 P89	F67-L92 HydrophobicContact CB-CD2 3.8Å; F67-L92 HydrophobicContact CD2-CD2 3.7Å; F67-L92 HydrophobicContact CG-CD2 3.9Å; V75-L92 HydrophobicContact CG1-CB 3.76Å; V75-L92 HydrophobicContact CG1-CD2 4.45Å; V78-L92 HydrophobicContact CG1-CD1 4.36Å; V78-L92 HydrophobicContact CG1-CD2 4.1Å; R79-L92 HydrophobicContact CG-CB 4.47Å; R79-L92 HydrophobicContact CG-CD1 3.58Å; R79-L92 PolarHBondContact NH2-O 3.41Å; F87-L92 HydrophobicContact CB-CD1 4.22Å; F87-L92 HydrophobicContact CB-CD2 4Å; F87-L92 HydrophobicContact CB-CG 4.22Å; F87-L92 HydrophobicContact CG-CD2 4.3Å; P89-L92 PolarHBondContact O-N 2.92Å
93	I	98.2	Very high	95.4	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.2	-170.1	-57	170.5	0	0	0	108.9	V66 F67 V68 D69 I114 L117 V118 R121	V66-I93 HydrophobicContact CG1-CD1 3.67Å; V66-I93 HydrophobicContact CG1-CG1 4.42Å; F67-I93 PolarHBondContact O-N 3.44Å; V68-I93 WeakPolarHBondContact CA-O 3.16Å; V68-I93 HydrophobicContact CG1-CB 4.48Å; V68-I93 HydrophobicContact CG1-CG2 4.4Å; V68-I93 HydrophobicContact CG2-CB 4.33Å; V68-I93 HydrophobicContact CG2-CD1 4.43Å; D69-I93 PolarHBondContact N-O 2.87Å; I93-I114 HydrophobicContact CG2-CD1 3.55Å; I93-I114 HydrophobicContact CG2-CG1 3.87Å; I93-L117 HydrophobicContact CG2-CD2 3.83Å; I93-L117 HydrophobicContact CG2-CG 4.35Å; I93-V118 HydrophobicContact CD1-CB 4.35Å; I93-V118 HydrophobicContact CD1-CG2 3.84Å; I93-V118 HydrophobicContact CG2-CG2 4.11Å; I93-R121 HydrophobicContact CD1-CB 4.1Å; I93-R121 HydrophobicContact CD1-CG 3.79Å
94	T	97.6	Very high	95.5	Very high	41 Å²	41	54.6 Å²	54.6	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.9	178.3	50.5	0	0	0	0	110.8	D69 P72 V75 R79	D69-T94 CarbonylContact O-C 3.53Å; D69-T94 VanDerWaalsContact O-CA 3.23Å; D69-T94 WeakPolarHBondContact O-CA 3.39Å; P72-T94 HydrophobicContact CB-CG2 4.37Å; V75-T94 HydrophobicContact CB-CG2 3.39Å; V75-T94 HydrophobicContact CG1-CG2 3.67Å; V75-T94 HydrophobicContact CG2-CG2 3.72Å; R79-T94 PolarHBondContact NH1-OG1 3.23Å; R79-T94 VanDerWaalsContact NH2-CG2 3.33Å; R79-T94 PolarHBondContact NH2-OG1 2.77Å
95	G	94.4	Very high	95.6	Very high	17 Å²	17	49.8 Å²	49.8	18%	0.175	26%	0.26	C	S	.	.			trans	-75.7	-168.8	164.9	0	0	0	0	0	112.1	D69 L70	D69-G95 PolarHBondContact O-N 3.4Å; L70-G95 CarbonylContact O-C 3.57Å; L70-G95 WeakPolarHBondContact O-CA 3.36Å; L70-G95 PolarHBondContact O-N 3.42Å
96	K	91.8	Very high	95.7	Very high	204 Å²	204	44.9 Å²	44.9	89%	0.887	24%	0.237	S	C	*	.	S	Bend	trans	-114.3	-11.8	178.8	-63.4	178.7	-176	171.3	0	113.1	L70	L70-K96 PolarHBondContact O-N 3.5Å
97	E	90.6	Very high	95.8	Very high	105 Å²	105	45.2 Å²	45.2	49%	0.491	24%	0.239	S	C	.	.	S	Bend	trans	-135.9	131.3	-172.8	-69.1	-174.1	-134.7	0	0	108.7	L70 R105 I110	L70-E97 CarbonylContact C-O 3.25Å; L70-E97 VanDerWaalsContact C-O 3.27Å; L70-E97 WeakPolarHBondContact CB-O 3.46Å; L70-E97 CarbonylContact O-C 3.42Å; L70-E97 PolarHBondContact O-N 2.92Å; E97-R105 IonicContact OE2-CZ 2.83Å; E97-R105 IonicContact OE2-NH2 3.97Å; E97-R105 PolarHBondContact OE2-NH2 3.21Å; E97-I110 HydrophobicContact CB-CD1 4.35Å; E97-I110 HydrophobicContact CB-CG2 4.49Å
98	D	91.1	Very high	95.8	Very high	76 Å²	76	47.4 Å²	47.4	41%	0.406	25%	0.247	S	C	.	.			trans	-68.7	163.7	178.1	65.4	55	0	0	0	112.3	E71 A100 R105	E71-D98 HydrophobicContact CB-CB 3.86Å; E71-D98 HydrophobicContact CG-CB 4Å; D98-A100 VanDerWaalsContact OD1-CA 3.23Å; D98-A100 WeakPolarHBondContact OD1-CA 3.38Å; D98-A100 WeakPolarHBondContact OD1-CB 3.25Å; D98-A100 PolarHBondContact OD1-N 3.4Å; D98-R105 PolarHBondContact O-NE 3.28Å
99	A	92.3	Very high	95.9	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.033	24%	0.242	C	C	.	.			trans	-79.1	-3.5	171.8	0	0	0	0	0	113.2	L70 N101 N102	L70-A99 HydrophobicContact CD1-CB 4.12Å; A99-N101 PolarHBondContact O-N 2.82Å; A99-N101 VanDerWaalsContact O-N 3.11Å; A99-N102 WeakPolarHBondContact O-CB 3.32Å; A99-N102 PolarHBondContact O-N 3.43Å
100	A	92.2	Very high	95.9	Very high	59 Å²	59	41.6 Å²	41.6	49%	0.488	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	36.4	-174.8	0	0	0	0	0	114.7	D98 N102	D98-A100 VanDerWaalsContact OD1-CA 3.23Å; D98-A100 WeakPolarHBondContact OD1-CA 3.38Å; D98-A100 WeakPolarHBondContact OD1-CB 3.25Å; D98-A100 PolarHBondContact OD1-N 3.4Å; A100-N102 PolarHBondContact O-N 3.04Å
101	N	94.3	Very high	95.9	Very high	76 Å²	76	37 Å²	37	41%	0.406	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	25.2	-171.5	-64.9	-51.1	0	0	0	114.8	A99 A180 V182 N186	A99-N101 PolarHBondContact O-N 2.82Å; A99-N101 VanDerWaalsContact O-N 3.11Å; N101-A180 HydrophobicContact CB-CB 3.68Å; N101-V182 HydrophobicContact CB-CG2 4.48Å; N101-V182 WeakPolarHBondContact O-CG2 3.28Å; N101-N186 PolarHBondContact O-ND2 2.62Å
102	N	97	Very high	95.9	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.048	21%	0.212	C	C	.	.			trans	-110.3	116.4	-178.8	-176.3	-19.6	0	0	0	110.5	A99 A100 A104 R105 G106 W407	A99-N102 WeakPolarHBondContact O-CB 3.32Å; A99-N102 PolarHBondContact O-N 3.43Å; A100-N102 PolarHBondContact O-N 3.04Å; N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3.47Å; N102-A104 WeakPolarHBondContact OD1-CB 3.2Å; N102-A104 PolarHBondContact OD1-N 2.62Å; N102-R105 HydrophobicContact CB-CB 4.04Å; N102-R105 PolarHBondContact O-N 3.29Å; N102-G106 PolarHBondContact O-N 3.19Å; N102-W407 PolarHBondContact ND2-O 2.97Å
103	Y	98.4	Very high	95.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-51.3	-48.2	174.4	173.7	-85	0	0	0	111.9	R105 G106 H107 Y108 S147 G148 S151 N186 L189 T193 M413	Y103-R105 PolarHBondContact O-N 2.85Å; Y103-G106 CarbonylContact O-C 3.49Å; Y103-G106 WeakPolarHBondContact O-CA 3.49Å; Y103-G106 PolarHBondContact O-N 3.43Å; Y103-H107 HydrophobicContact CD1-CB 4.22Å; Y103-H107 HydrophobicContact CE1-CB 3.84Å; Y103-H107 AromaticContact CE1-CG 3.97Å; Y103-H107 WeakPolarHBondContact O-CB 3.48Å; Y103-H107 PolarHBondContact O-N 2.87Å; Y103-Y108 HydrophobicContact CE1-CE2 4.35Å; Y103-S147 WeakPolarHBondContact CD2-OG 3.4Å; Y103-G148 WeakPolarHBondContact O-CA 3.34Å; Y103-S151 VanDerWaalsContact OH-CB 3.25Å; Y103-S151 WeakPolarHBondContact OH-CB 3.5Å; Y103-S151 PolarHBondContact OH-OG 2.87Å; Y103-N186 VanDerWaalsContact CB-OD1 3.23Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.36Å; Y103-N186 PolarHBondContact N-OD1 3.01Å; Y103-L189 HydrophobicContact CD1-CB 3.9Å; Y103-L189 HydrophobicContact CD1-CD1 3.72Å; Y103-L189 HydrophobicContact CD1-CG 4.37Å; Y103-L189 HydrophobicContact CD2-CB 3.89Å; Y103-L189 HydrophobicContact CE1-CB 3.91Å; Y103-L189 HydrophobicContact CE1-CD1 4.34Å; Y103-L189 HydrophobicContact CE2-CB 3.9Å; Y103-L189 HydrophobicContact CG-CB 3.92Å; Y103-L189 HydrophobicContact CG-CD1 3.97Å; Y103-T193 WeakPolarHBondContact OH-CB 3.48Å; Y103-T193 PolarHBondContact OH-OG1 3.02Å; Y103-M413 HydrophobicContact CD1-SD 4.4Å
104	A	98.3	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-34	-174.5	0	0	0	0	0	111.6	N102 H107 Y108 Y408 E411 M413	N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3.47Å; N102-A104 WeakPolarHBondContact OD1-CB 3.2Å; N102-A104 PolarHBondContact OD1-N 2.62Å; A104-H107 PolarHBondContact O-N 2.69Å; A104-Y108 HydrophobicContact CB-CD2 3.99Å; A104-Y108 WeakPolarHBondContact O-CA 3.38Å; A104-Y108 VanDerWaalsContact O-CB 3.32Å; A104-Y108 WeakPolarHBondContact O-CB 3.39Å; A104-Y108 PolarHBondContact O-N 3.08Å; A104-Y408 HydrophobicContact CB-CD1 3.93Å; A104-Y408 HydrophobicContact CB-CG 4.28Å; A104-E411 HydrophobicContact CB-CB 3.83Å; A104-E411 HydrophobicContact CB-CG 4.49Å; A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.07Å
105	R	97.6	Very high	95.7	Very high	43 Å²	43	46.8 Å²	46.8	16%	0.162	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-39.6	174.1	-169.2	169.8	170.5	87.5	2.8	112.1	E97 D98 N102 Y103 H107 T109 I110 G111 E411	E97-R105 IonicContact OE2-CZ 2.83Å; E97-R105 IonicContact OE2-NH2 3.97Å; E97-R105 PolarHBondContact OE2-NH2 3.21Å; D98-R105 PolarHBondContact O-NE 3.28Å; N102-R105 HydrophobicContact CB-CB 4.04Å; N102-R105 PolarHBondContact O-N 3.29Å; Y103-R105 PolarHBondContact O-N 2.85Å; R105-H107 VanDerWaalsContact C-N 3.32Å; R105-T109 WeakPolarHBondContact CA-OG1 3.36Å; R105-T109 PolarHBondContact O-OG1 3.46Å; R105-I110 HydrophobicContact CG-CB 4.36Å; R105-I110 HydrophobicContact CG-CG1 3.66Å; R105-I110 PolarHBondContact O-N 2.98Å; R105-G111 PolarHBondContact O-N 2.91Å; R105-E411 HydrophobicContact CB-CG 4.02Å; R105-E411 IonicContact NH1-OE1 2.83Å; R105-E411 PolarHBondContact NH1-OE1 3.16Å; R105-E411 IonicContact NH1-OE2 3.77Å
106	G	97.8	Very high	95.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-28.1	173.1	0	0	0	0	0	114	N102 Y103 G111 G148 F149	N102-G106 PolarHBondContact O-N 3.19Å; Y103-G106 CarbonylContact O-C 3.49Å; Y103-G106 WeakPolarHBondContact O-CA 3.49Å; Y103-G106 PolarHBondContact O-N 3.43Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.46Å; G106-G148 CarbonylContact O-C 3.59Å; G106-F149 WeakPolarHBondContact O-CA 3.35Å; G106-F149 WeakPolarHBondContact O-CB 3.36Å; G106-F149 PolarHBondContact O-N 2.91Å
107	H	98.5	Very high	96.1	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-100.4	-45.7	-173.7	-167.7	-99.5	0	0	0	113.7	Y103 A104 R105 K112 G148 L152 E155	Y103-H107 HydrophobicContact CD1-CB 4.22Å; Y103-H107 HydrophobicContact CE1-CB 3.84Å; Y103-H107 AromaticContact CE1-CG 3.97Å; Y103-H107 WeakPolarHBondContact O-CB 3.48Å; Y103-H107 PolarHBondContact O-N 2.87Å; A104-H107 PolarHBondContact O-N 2.69Å; R105-H107 VanDerWaalsContact C-N 3.32Å; H107-K112 WeakPolarHBondContact O-CG 3.36Å; H107-G148 PolarHBondContact CD2-O 2.99Å; H107-G148 VanDerWaalsContact CD2-O 3.27Å; H107-L152 PolarHBondContact CD2-N 2.97Å; H107-L152 VanDerWaalsContact CD2-N 3.31Å; H107-E155 IonicContact CE1-OE1 3.94Å; H107-E155 IonicContact NE2-OE1 3.76Å; H107-E155 PolarHBondContact NE2-OE1 2.97Å; H107-E155 IonicContact NE2-OE2 3.98Å
108	Y	97.9	Very high	96.5	Very high	50 Å²	50	40.5 Å²	40.5	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-100.9	-24.7	-167.8	-66.5	-73.9	0	0	0	114.6	Y103 A104 K112 E411 M413 E417	Y103-Y108 HydrophobicContact CE1-CE2 4.35Å; A104-Y108 HydrophobicContact CB-CD2 3.99Å; A104-Y108 WeakPolarHBondContact O-CA 3.38Å; A104-Y108 VanDerWaalsContact O-CB 3.32Å; A104-Y108 WeakPolarHBondContact O-CB 3.39Å; A104-Y108 PolarHBondContact O-N 3.08Å; Y108-K112 VanDerWaalsContact O-CD 3.25Å; Y108-K112 WeakPolarHBondContact O-CD 3.47Å; Y108-K112 WeakPolarHBondContact O-CE 3.33Å; Y108-K112 PolarHBondContact O-NZ 3.42Å; Y108-E411 WeakPolarHBondContact CB-O 3.47Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.15Å; Y108-M413 HydrophobicContact CE2-CB 3.71Å; Y108-M413 HydrophobicContact CE2-CG 3.51Å; Y108-M413 HydrophobicContact CE2-SD 4.11Å; Y108-E417 VanDerWaalsContact OH-CD 3.25Å; Y108-E417 PolarHBondContact OH-OE1 3.1Å; Y108-E417 PolarHBondContact OH-OE2 3.48Å
109	T	96.8	Very high	96.9	Very high	40 Å²	40	37.8 Å²	37.8	25%	0.245	20%	0.195	C	C	.	.	S	Bend	trans	-120.6	-93.3	-175.2	60.2	0	0	0	0	112.2	R105 G111 K112 E411	R105-T109 WeakPolarHBondContact CA-OG1 3.36Å; R105-T109 PolarHBondContact O-OG1 3.46Å; T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 3.11Å; T109-K112 WeakPolarHBondContact O-CB 3.37Å; T109-K112 PolarHBondContact O-N 3.39Å; T109-E411 WeakPolarHBondContact CB-OE2 3.35Å; T109-E411 HydrophobicContact CG2-CB 4.13Å; T109-E411 WeakPolarHBondContact CG2-O 3.49Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.43Å; T109-E411 PolarHBondContact OG1-OE2 3.12Å
110	I	96.5	Very high	97.2	Very high	14 Å²	14	39.8 Å²	39.8	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-37.7	-170.9	-53.8	-56.9	0	0	0	111.6	L70 E97 R105 K112 E113	L70-I110 HydrophobicContact CB-CG2 4.13Å; L70-I110 HydrophobicContact CD1-CB 4.11Å; L70-I110 HydrophobicContact CD1-CG2 3.95Å; L70-I110 HydrophobicContact CD2-CG2 4.29Å; L70-I110 HydrophobicContact CG-CG2 4.34Å; E97-I110 HydrophobicContact CB-CD1 4.35Å; E97-I110 HydrophobicContact CB-CG2 4.49Å; R105-I110 HydrophobicContact CG-CB 4.36Å; R105-I110 HydrophobicContact CG-CG1 3.66Å; R105-I110 PolarHBondContact O-N 2.98Å; I110-K112 VanDerWaalsContact C-N 3.32Å; I110-K112 PolarHBondContact O-N 3.37Å; I110-E113 WeakPolarHBondContact O-CB 3.38Å; I110-E113 PolarHBondContact O-N 3.22Å
111	G	97.1	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-34.7	175.8	0	0	0	0	0	114.4	R105 G106 T109 E113 I114 V115 F149	R105-G111 PolarHBondContact O-N 2.91Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.46Å; T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 3.11Å; G111-E113 PolarHBondContact O-N 3.48Å; G111-I114 PolarHBondContact O-N 3.09Å; G111-V115 WeakPolarHBondContact O-CB 3.16Å; G111-V115 PolarHBondContact O-N 2.98Å; G111-F149 WeakPolarHBondContact O-CE2 3.44Å
112	K	96.6	Very high	97.6	Very high	105 Å²	105	35.1 Å²	35.1	46%	0.457	17%	0.169	S	C	.	.	H	α-helix	trans	-65.7	-27.1	176.3	-69.2	-168.2	-178.9	155	0	112.5	H107 Y108 T109 I110 I114 L152	H107-K112 WeakPolarHBondContact O-CG 3.36Å; Y108-K112 VanDerWaalsContact O-CD 3.25Å; Y108-K112 WeakPolarHBondContact O-CD 3.47Å; Y108-K112 WeakPolarHBondContact O-CE 3.33Å; Y108-K112 PolarHBondContact O-NZ 3.42Å; T109-K112 WeakPolarHBondContact O-CB 3.37Å; T109-K112 PolarHBondContact O-N 3.39Å; I110-K112 VanDerWaalsContact C-N 3.32Å; I110-K112 PolarHBondContact O-N 3.37Å; K112-I114 VanDerWaalsContact C-N 3.27Å; K112-I114 PolarHBondContact O-N 3.06Å; K112-L152 HydrophobicContact CG-CD2 3.97Å
113	E	95.9	Very high	97.7	Very high	154 Å²	154	39.8 Å²	39.8	72%	0.72	19%	0.186	S	C	*	.	H	α-helix	trans	-70.5	-25.3	177.9	-57.7	-172.3	174.8	0	0	112.7	I110 G111	I110-E113 WeakPolarHBondContact O-CB 3.38Å; I110-E113 PolarHBondContact O-N 3.22Å; G111-E113 PolarHBondContact O-N 3.48Å
114	I	96.6	Very high	97.7	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-111.6	-18.5	-173.9	-153.1	168.9	0	0	0	114	L70 I93 G111 K112 D116 L117 V118 F149	L70-I114 HydrophobicContact CD2-CG2 3.52Å; I93-I114 HydrophobicContact CG2-CD1 3.55Å; I93-I114 HydrophobicContact CG2-CG1 3.87Å; G111-I114 PolarHBondContact O-N 3.09Å; K112-I114 VanDerWaalsContact C-N 3.27Å; K112-I114 PolarHBondContact O-N 3.06Å; I114-D116 VanDerWaalsContact C-N 3.31Å; I114-D116 PolarHBondContact O-N 3.25Å; I114-L117 HydrophobicContact CG1-CD2 4.32Å; I114-L117 WeakPolarHBondContact O-CB 3.38Å; I114-L117 PolarHBondContact O-N 2.9Å; I114-V118 HydrophobicContact CG1-CG2 4.47Å; I114-V118 PolarHBondContact O-N 3.08Å; I114-V118 VanDerWaalsContact O-N 3.11Å; I114-F149 HydrophobicContact CG2-CD2 4.12Å; I114-F149 HydrophobicContact CG2-CE2 3.48Å; I114-F149 VanDerWaalsContact CG2-CE2 3.48Å; I114-F149 HydrophobicContact CG2-CZ 3.86Å
115	V	98.1	Very high	97.6	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-42.3	-173.6	69.5	0	0	0	0	112.7	G111 L117 V118 L119 F149 L152 L153 R156	G111-V115 WeakPolarHBondContact O-CB 3.16Å; G111-V115 PolarHBondContact O-N 2.98Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.44Å; V115-V118 PolarHBondContact O-N 2.91Å; V115-V118 VanDerWaalsContact O-N 3.14Å; V115-L119 HydrophobicContact CG2-CD1 3.99Å; V115-L119 HydrophobicContact CG2-CG 4.29Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.15Å; V115-F149 HydrophobicContact CB-CE2 3.89Å; V115-F149 HydrophobicContact CG2-CE2 4.25Å; V115-L152 HydrophobicContact CB-CD2 3.92Å; V115-L152 HydrophobicContact CB-CG 4.45Å; V115-L152 HydrophobicContact CG1-CD2 4.12Å; V115-L152 HydrophobicContact CG2-CD2 4.13Å; V115-L152 HydrophobicContact CG2-CG 4.12Å; V115-L153 HydrophobicContact CG2-CD1 4.42Å; V115-R156 HydrophobicContact CG2-CG 4.2Å
116	D	98	Very high	97.6	Very high	114 Å²	114	42.3 Å²	42.3	61%	0.61	20%	0.201	S	C	*	.	H	α-helix	trans	-64.6	-35.9	-179.5	-70.4	-21.9	0	0	0	112.1	I114 D120	I114-D116 VanDerWaalsContact C-N 3.31Å; I114-D116 PolarHBondContact O-N 3.25Å; D116-D120 WeakPolarHBondContact O-CB 3.37Å; D116-D120 PolarHBondContact O-N 3.34Å
117	L	97.8	Very high	97.6	Very high	80 Å²	80	47.6 Å²	47.6	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-43.9	174.5	174	63	0	0	0	110.6	I93 I114 V115 D120 R121	I93-L117 HydrophobicContact CG2-CD2 3.83Å; I93-L117 HydrophobicContact CG2-CG 4.35Å; I114-L117 HydrophobicContact CG1-CD2 4.32Å; I114-L117 WeakPolarHBondContact O-CB 3.38Å; I114-L117 PolarHBondContact O-N 2.9Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.44Å; L117-D120 PolarHBondContact O-N 3.25Å; L117-R121 WeakPolarHBondContact O-CG 3.42Å; L117-R121 PolarHBondContact O-N 3.47Å; L117-R121 VanDerWaalsContact O-N 3.16Å
118	V	98.6	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-46	178.3	176.5	0	0	0	0	110.6	V66 V68 I93 I114 V115 D120 R121 I122 F149 L153	V66-V118 HydrophobicContact CG1-CG1 4.4Å; V68-V118 HydrophobicContact CB-CG2 4.42Å; V68-V118 HydrophobicContact CG1-CG2 3.8Å; V68-V118 HydrophobicContact CG2-CB 4.46Å; V68-V118 HydrophobicContact CG2-CG1 3.87Å; V68-V118 HydrophobicContact CG2-CG2 3.7Å; I93-V118 HydrophobicContact CD1-CB 4.35Å; I93-V118 HydrophobicContact CD1-CG2 3.84Å; I93-V118 HydrophobicContact CG2-CG2 4.11Å; I114-V118 HydrophobicContact CG1-CG2 4.47Å; I114-V118 PolarHBondContact O-N 3.08Å; I114-V118 VanDerWaalsContact O-N 3.11Å; V115-V118 PolarHBondContact O-N 2.91Å; V115-V118 VanDerWaalsContact O-N 3.14Å; V118-D120 PolarHBondContact O-N 3.26Å; V118-R121 PolarHBondContact O-N 3.36Å; V118-R121 VanDerWaalsContact O-N 3.15Å; V118-I122 HydrophobicContact CG1-CD1 3.9Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 2.82Å; V118-F149 HydrophobicContact CB-CZ 4.18Å; V118-F149 HydrophobicContact CG1-CZ 4.4Å; V118-F149 HydrophobicContact CG2-CE1 4.3Å; V118-F149 HydrophobicContact CG2-CZ 3.77Å; V118-L153 HydrophobicContact CG1-CD1 4.01Å; V118-L153 HydrophobicContact CG1-CD2 4.12Å
119	L	98.4	Very high	97.2	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-41.7	176.8	-71.2	169.2	0	0	0	112.2	V115 R121 I122 R123 L153 R156 L157	V115-L119 HydrophobicContact CG2-CD1 3.99Å; V115-L119 HydrophobicContact CG2-CG 4.29Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.15Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 2.73Å; L119-I122 PolarHBondContact O-N 2.92Å; L119-R123 VanDerWaalsContact O-CB 3.29Å; L119-R123 WeakPolarHBondContact O-CB 3.48Å; L119-R123 PolarHBondContact O-N 3.3Å; L119-L153 HydrophobicContact CD2-CD1 3.83Å; L119-L153 HydrophobicContact CG-CD1 4.24Å; L119-R156 HydrophobicContact CD1-CB 3.66Å; L119-R156 HydrophobicContact CD1-CG 3.99Å; L119-R156 HydrophobicContact CD2-CB 3.88Å; L119-R156 HydrophobicContact CG-CB 4.34Å; L119-L157 HydrophobicContact CD2-CD2 4.1Å
120	D	98.3	Very high	97	Very high	46 Å²	46	54.6 Å²	54.6	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-37.7	175.2	178.9	65.3	0	0	0	112.2	D116 L117 V118 R123 K124	D116-D120 WeakPolarHBondContact O-CB 3.37Å; D116-D120 PolarHBondContact O-N 3.34Å; L117-D120 PolarHBondContact O-N 3.25Å; V118-D120 PolarHBondContact O-N 3.26Å; D120-R123 PolarHBondContact O-N 2.83Å; D120-R123 IonicContact OD1-CZ 3.39Å; D120-R123 IonicContact OD1-NE 3.28Å; D120-R123 IonicContact OD1-NH2 2.66Å; D120-R123 PolarHBondContact OD1-NH2 2.87Å; D120-K124 WeakPolarHBondContact O-CG 3.36Å; D120-K124 PolarHBondContact O-N 3.29Å; D120-K124 VanDerWaalsContact OD2-CE 3.24Å; D120-K124 WeakPolarHBondContact OD2-CE 3.41Å; D120-K124 IonicContact OD2-NZ 3.77Å; D120-K124 PolarHBondContact OD2-NZ 3.41Å
121	R	98.1	Very high	96.8	Very high	36 Å²	36	55.2 Å²	55.2	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-42.3	176.3	-64	-56.8	176.2	-175	4	112.5	E90 I93 L117 V118 L119 R123 K124 L125	E90-R121 IonicContact OE1-CZ 3.71Å; E90-R121 IonicContact OE1-NH1 3.01Å; E90-R121 PolarHBondContact OE1-NH1 3.24Å; E90-R121 IonicContact OE1-NH2 2.62Å; E90-R121 PolarHBondContact OE1-NH2 3.49Å; E90-R121 IonicContact OE2-CZ 2.65Å; E90-R121 VanDerWaalsContact OE2-CZ 3.28Å; E90-R121 IonicContact OE2-NH1 2.81Å; E90-R121 PolarHBondContact OE2-NH1 3.11Å; E90-R121 IonicContact OE2-NH2 3.04Å; E90-R121 PolarHBondContact OE2-NH2 3.42Å; I93-R121 HydrophobicContact CD1-CB 4.1Å; I93-R121 HydrophobicContact CD1-CG 3.79Å; L117-R121 WeakPolarHBondContact O-CG 3.42Å; L117-R121 PolarHBondContact O-N 3.47Å; L117-R121 VanDerWaalsContact O-N 3.16Å; V118-R121 PolarHBondContact O-N 3.36Å; V118-R121 VanDerWaalsContact O-N 3.15Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 2.73Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R121-R123 PolarHBondContact O-N 2.61Å; R121-K124 VanDerWaalsContact NH1-NZ 3.11Å; R121-K124 PolarHBondContact O-N 3.25Å; R121-L125 PolarHBondContact O-N 3.5Å; R121-L125 VanDerWaalsContact O-N 3.1Å
122	I	98.5	Very high	96.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-43.7	173.6	-69.4	173.8	0	0	0	110.3	V7 V66 V118 L119 K124 L125 A126 F135 L153 L157 Y161	V7-I122 HydrophobicContact CG1-CD1 4.48Å; V7-I122 HydrophobicContact CG2-CD1 3.98Å; V7-I122 HydrophobicContact CG2-CG1 4.49Å; V66-I122 HydrophobicContact CG2-CG1 3.97Å; V118-I122 HydrophobicContact CG1-CD1 3.9Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 2.82Å; L119-I122 PolarHBondContact O-N 2.92Å; I122-K124 PolarHBondContact O-N 2.86Å; I122-L125 WeakPolarHBondContact O-CB 2.98Å; I122-L125 PolarHBondContact O-N 2.97Å; I122-A126 WeakPolarHBondContact O-CB 3.38Å; I122-A126 PolarHBondContact O-N 3.31Å; I122-F135 HydrophobicContact CG2-CD1 4.4Å; I122-F135 HydrophobicContact CG2-CE1 3.51Å; I122-F135 HydrophobicContact CG2-CZ 4.11Å; I122-L153 HydrophobicContact CD1-CD1 4.16Å; I122-L153 HydrophobicContact CD1-CD2 4.44Å; I122-L157 HydrophobicContact CD1-CD2 4.05Å; I122-L157 HydrophobicContact CG2-CD2 4.02Å; I122-Y161 HydrophobicContact CG2-CE2 4.27Å
123	R	98.2	Very high	96.4	Very high	107 Å²	107	53.1 Å²	53.1	40%	0.404	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-46.6	177.1	-174	-171.2	62.6	76.3	-0.7	112.3	L119 D120 R121 L125 A126 D127 Y161	L119-R123 VanDerWaalsContact O-CB 3.29Å; L119-R123 WeakPolarHBondContact O-CB 3.48Å; L119-R123 PolarHBondContact O-N 3.3Å; D120-R123 PolarHBondContact O-N 2.83Å; D120-R123 IonicContact OD1-CZ 3.39Å; D120-R123 IonicContact OD1-NE 3.28Å; D120-R123 IonicContact OD1-NH2 2.66Å; D120-R123 PolarHBondContact OD1-NH2 2.87Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R121-R123 PolarHBondContact O-N 2.61Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 3.08Å; R123-A126 WeakPolarHBondContact O-CB 3.48Å; R123-A126 PolarHBondContact O-N 2.72Å; R123-A126 VanDerWaalsContact O-N 3.15Å; R123-D127 IonicContact NH1-OD2 3.67Å; R123-D127 PolarHBondContact NH1-OD2 3.44Å; R123-D127 WeakPolarHBondContact O-CB 3.34Å; R123-D127 PolarHBondContact O-N 3.46Å; R123-Y161 VanDerWaalsContact CA-OH 3.31Å; R123-Y161 WeakPolarHBondContact CA-OH 3.5Å
124	K	97.9	Very high	96.4	Very high	80 Å²	80	45.8 Å²	45.8	35%	0.348	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-40.4	175.7	-75.1	167.9	176.5	159.7	0	112.5	D120 R121 I122 Q128	D120-K124 WeakPolarHBondContact O-CG 3.36Å; D120-K124 PolarHBondContact O-N 3.29Å; D120-K124 VanDerWaalsContact OD2-CE 3.24Å; D120-K124 WeakPolarHBondContact OD2-CE 3.41Å; D120-K124 IonicContact OD2-NZ 3.77Å; D120-K124 PolarHBondContact OD2-NZ 3.41Å; R121-K124 VanDerWaalsContact NH1-NZ 3.11Å; R121-K124 PolarHBondContact O-N 3.25Å; I122-K124 PolarHBondContact O-N 2.86Å; K124-Q128 VanDerWaalsContact O-CG 3.27Å; K124-Q128 WeakPolarHBondContact O-CG 3.34Å; K124-Q128 PolarHBondContact O-N 3.42Å
125	L	97.5	Very high	96.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-40.1	174.7	-77	174.6	0	0	0	112.1	I5 V66 Q91 R121 I122 R123 Q128 C129	I5-L125 HydrophobicContact CD1-CB 3.68Å; I5-L125 HydrophobicContact CG1-CB 4.15Å; I5-L125 HydrophobicContact CG2-CD1 4.12Å; V66-L125 HydrophobicContact CG2-CD1 3.6Å; Q91-L125 HydrophobicContact CG-CD1 4.44Å; R121-L125 PolarHBondContact O-N 3.5Å; R121-L125 VanDerWaalsContact O-N 3.1Å; I122-L125 WeakPolarHBondContact O-CB 2.98Å; I122-L125 PolarHBondContact O-N 2.97Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 3.08Å; L125-Q128 WeakPolarHBondContact O-CB 3.43Å; L125-Q128 PolarHBondContact O-N 3.21Å; L125-C129 PolarHBondContact O-N 3.24Å; L125-C129 PolarHBondContact O-SG 2.81Å
126	A	97	Very high	96.4	Very high	13 Å²	13	44.9 Å²	44.9	11%	0.107	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-41.9	177.6	0	0	0	0	0	111.6	I5 I122 R123 Q128 C129 L132 Y161	I5-A126 HydrophobicContact CD1-CB 4.07Å; I122-A126 WeakPolarHBondContact O-CB 3.38Å; I122-A126 PolarHBondContact O-N 3.31Å; R123-A126 WeakPolarHBondContact O-CB 3.48Å; R123-A126 PolarHBondContact O-N 2.72Å; R123-A126 VanDerWaalsContact O-N 3.15Å; A126-Q128 PolarHBondContact O-N 3.41Å; A126-C129 WeakPolarHBondContact O-CB 3.46Å; A126-C129 PolarHBondContact O-N 3.49Å; A126-L132 HydrophobicContact CB-CD2 3.87Å; A126-Y161 HydrophobicContact CB-CE1 3.95Å
127	D	96.5	Very high	96.5	Very high	111 Å²	111	39.5 Å²	39.5	59%	0.594	21%	0.205	S	C	*	.	H	α-helix	trans	-62.9	-26.6	175.7	-68.8	-20.7	0	0	0	112.1	R123 C129	R123-D127 IonicContact NH1-OD2 3.67Å; R123-D127 PolarHBondContact NH1-OD2 3.44Å; R123-D127 WeakPolarHBondContact O-CB 3.34Å; R123-D127 PolarHBondContact O-N 3.46Å; D127-C129 VanDerWaalsContact C-N 3.33Å
128	Q	94.4	Very high	96.5	Very high	114 Å²	114	35.7 Å²	35.7	53%	0.533	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.9	174.3	-70.9	172	-8.7	0	0	113.6	R64 K124 L125 A126	R64-Q128 PolarHBondContact NH1-O 3.3Å; K124-Q128 VanDerWaalsContact O-CG 3.27Å; K124-Q128 WeakPolarHBondContact O-CG 3.34Å; K124-Q128 PolarHBondContact O-N 3.42Å; L125-Q128 WeakPolarHBondContact O-CB 3.43Å; L125-Q128 PolarHBondContact O-N 3.21Å; A126-Q128 PolarHBondContact O-N 3.41Å
129	C	94.9	Very high	96.5	Very high	19 Å²	19	35.7 Å²	35.7	13%	0.128	19%	0.185	C	C	.	.			trans	-90.2	135.1	175.4	-63.4	0	0	0	0	110.3	E3 R64 L125 A126 D127 G131 L132	E3-C129 HydrophobicContact CB-CB 4.05Å; E3-C129 WeakPolarHBondContact OE1-CA 3.47Å; R64-C129 PolarHBondContact NH1-SG 2.92Å; L125-C129 PolarHBondContact O-N 3.24Å; L125-C129 PolarHBondContact O-SG 2.81Å; A126-C129 WeakPolarHBondContact O-CB 3.46Å; A126-C129 PolarHBondContact O-N 3.49Å; D127-C129 VanDerWaalsContact C-N 3.33Å; C129-G131 VanDerWaalsContact C-N 3.32Å; C129-L132 HydrophobicContact CB-CB 3.99Å
130	T	92.6	Very high	96.4	Very high	113 Å²	113	35.6 Å²	35.6	69%	0.693	19%	0.185	S	C	*	.	S	Bend	trans	-74	-26.7	170.7	66.2	0	0	0	0	112.7	M1 E3	M1-T130 WeakPolarHBondContact CB-OG1 2.93Å; E3-T130 VanDerWaalsContact CD-N 3.33Å; E3-T130 PolarHBondContact OE1-N 2.77Å; E3-T130 VanDerWaalsContact OE1-N 3.14Å; E3-T130 WeakPolarHBondContact OE2-CA 3.26Å; E3-T130 PolarHBondContact OE2-N 3.32Å; E3-T130 PolarHBondContact OE2-OG1 2.97Å
131	G	91.3	Very high	96.3	Very high	27 Å²	27	33.4 Å²	33.4	28%	0.278	17%	0.174	S	C	.	.	S	Bend	trans	-162.3	76.3	-178.9	0	0	0	0	0	111	E3 C129 Q133	E3-G131 PolarHBondContact N-O 3.45Å; E3-G131 PolarHBondContact OE2-N 3.48Å; C129-G131 VanDerWaalsContact C-N 3.32Å; G131-Q133 PolarHBondContact O-N 2.91Å
132	L	94.4	Very high	96.1	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.073	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	120.8	173.8	179.6	65.3	0	0	0	110.2	E3 I5 A126 C129 G134 F135 Y161 K164	E3-L132 CarbonylContact O-C 3.47Å; E3-L132 WeakPolarHBondContact O-CA 3.44Å; I5-L132 HydrophobicContact CB-CD1 4.47Å; I5-L132 HydrophobicContact CD1-CD1 3.8Å; I5-L132 HydrophobicContact CD1-CD2 4.23Å; I5-L132 HydrophobicContact CG1-CD1 3.84Å; A126-L132 HydrophobicContact CB-CD2 3.87Å; C129-L132 HydrophobicContact CB-CB 3.99Å; L132-G134 WeakPolarHBondContact CD1-O 3.43Å; L132-F135 HydrophobicContact CD2-CE1 4.25Å; L132-F135 HydrophobicContact CD2-CE2 4.43Å; L132-F135 HydrophobicContact CD2-CZ 3.83Å; L132-Y161 HydrophobicContact CD2-CD1 4.42Å; L132-Y161 HydrophobicContact CD2-CE1 4.47Å; L132-K164 HydrophobicContact CD2-CG 4.48Å; L132-K164 WeakPolarHBondContact O-CD 3.23Å; L132-K164 WeakPolarHBondContact O-CE 3.47Å; L132-K164 PolarHBondContact O-NZ 2.79Å
133	Q	92.6	Very high	95.9	Very high	47 Å²	47	32.3 Å²	32.3	22%	0.22	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-44	173.7	-64.8	-155.9	-29.8	0	0	111.7	R2 E3 G131 S165 L252	R2-Q133 HydrophobicContact CB-CG 4.17Å; E3-Q133 PolarHBondContact O-N 3.32Å; G131-Q133 PolarHBondContact O-N 2.91Å; Q133-S165 PolarHBondContact O-N 2.89Å; Q133-L252 HydrophobicContact CB-CD1 3.93Å
134	G	95	Very high	95.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-170.4	-172.5	0	0	0	0	0	114.6	C4 I5 L132 S165	C4-G134 WeakPolarHBondContact CA-O 3.33Å; I5-G134 PolarHBondContact N-O 2.99Å; I5-G134 VanDerWaalsContact N-O 3.13Å; L132-G134 WeakPolarHBondContact CD1-O 3.43Å; G134-S165 CarbonylContact C-O 3.53Å; G134-S165 WeakPolarHBondContact CA-O 3.39Å
135	F	97.4	Very high	95.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.9	-178.9	-55.5	-80.9	0	0	0	109.9	I5 V7 I122 L132 I137 L157 Y161 K164 S165 K166 L167	I5-F135 HydrophobicContact CB-CD1 3.91Å; I5-F135 HydrophobicContact CB-CE1 4.15Å; I5-F135 HydrophobicContact CD1-CE1 4.02Å; I5-F135 HydrophobicContact CG2-CD1 4.24Å; I5-F135 HydrophobicContact CG2-CE1 4.48Å; I5-F135 CarbonylContact O-C 3.57Å; I5-F135 VanDerWaalsContact O-CA 3.28Å; I5-F135 WeakPolarHBondContact O-CA 2.87Å; V7-F135 HydrophobicContact CG2-CD1 4.47Å; I122-F135 HydrophobicContact CG2-CD1 4.4Å; I122-F135 HydrophobicContact CG2-CE1 3.51Å; I122-F135 HydrophobicContact CG2-CZ 4.11Å; L132-F135 HydrophobicContact CD2-CE1 4.25Å; L132-F135 HydrophobicContact CD2-CE2 4.43Å; L132-F135 HydrophobicContact CD2-CZ 3.83Å; F135-I137 HydrophobicContact CB-CD1 3.97Å; F135-I137 HydrophobicContact CB-CG1 4.36Å; F135-L157 HydrophobicContact CE1-CD2 4.32Å; F135-L157 HydrophobicContact CE2-CD2 4.4Å; F135-L157 HydrophobicContact CG-CD1 4.47Å; F135-L157 HydrophobicContact CZ-CD2 4.14Å; F135-Y161 HydrophobicContact CE2-CD1 4.41Å; F135-Y161 AromaticContact CE2-CD2 4Å; F135-Y161 HydrophobicContact CE2-CD2 4Å; F135-Y161 AromaticContact CE2-CG 3.77Å; F135-Y161 HydrophobicContact CE2-CG 3.77Å; F135-Y161 HydrophobicContact CZ-CD1 4.1Å; F135-Y161 AromaticContact CZ-CD2 3.67Å; F135-Y161 HydrophobicContact CZ-CD2 3.67Å; F135-Y161 HydrophobicContact CZ-CE1 4.47Å; F135-Y161 HydrophobicContact CZ-CE2 4.08Å; F135-Y161 AromaticContact CZ-CG 3.69Å; F135-Y161 HydrophobicContact CZ-CG 3.69Å; F135-K164 HydrophobicContact CD2-CB 4.4Å; F135-K164 HydrophobicContact CE2-CB 4.01Å; F135-S165 PolarHBondContact N-O 3.3Å; F135-K166 HydrophobicContact CB-CG 4.38Å; F135-K166 HydrophobicContact CD2-CG 4.04Å; F135-L167 PolarHBondContact O-N 3.3Å
136	L	97.6	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.5	168	-54.1	-178.8	0	0	0	107	I5 S6 V7 F52 F138 L167 F169 T239 L252	I5-L136 PolarHBondContact O-N 3.19Å; S6-L136 CarbonylContact C-O 3.59Å; S6-L136 WeakPolarHBondContact CA-O 3.5Å; V7-L136 PolarHBondContact N-O 3.08Å; F52-L136 HydrophobicContact CE1-CD1 4.2Å; F52-L136 HydrophobicContact CZ-CD1 3.98Å; L136-F138 HydrophobicContact CB-CD2 4.49Å; L136-F138 HydrophobicContact CB-CE2 3.66Å; L136-F138 HydrophobicContact CB-CZ 4.29Å; L136-F138 WeakPolarHBondContact O-CD2 3.36Å; L136-L167 CarbonylContact C-O 3.5Å; L136-L167 WeakPolarHBondContact CA-O 3.26Å; L136-L167 HydrophobicContact CD2-CB 4.1Å; L136-L167 HydrophobicContact CD2-CD1 4.28Å; L136-L167 HydrophobicContact CD2-CG 4.4Å; L136-F169 HydrophobicContact CB-CE2 4.22Å; L136-F169 HydrophobicContact CD2-CE2 4.23Å; L136-T239 HydrophobicContact CD1-CG2 3.77Å; L136-L252 HydrophobicContact CD2-CD2 4.01Å
137	I	98.5	Very high	95.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.1	-175.9	-57.9	106.2	0	0	0	109.1	V7 F135 T150 M154 K166 L167 E168 F169	V7-I137 CarbonylContact O-C 2.95Å; V7-I137 WeakPolarHBondContact O-CA 3.39Å; F135-I137 HydrophobicContact CB-CD1 3.97Å; F135-I137 HydrophobicContact CB-CG1 4.36Å; I137-T150 HydrophobicContact CG2-CG2 3.7Å; I137-M154 HydrophobicContact CD1-CE 4.14Å; I137-M154 HydrophobicContact CD1-SD 3.46Å; I137-M154 WeakPolarHBondContact CD1-SD 3.22Å; I137-M154 HydrophobicContact CG1-SD 3.88Å; I137-K166 HydrophobicContact CD1-CB 3.78Å; I137-K166 HydrophobicContact CD1-CG 4.1Å; I137-L167 PolarHBondContact N-O 2.84Å; I137-E168 HydrophobicContact CB-CG 4.17Å; I137-E168 HydrophobicContact CD1-CG 4.41Å; I137-E168 CarbonylContact O-C 3.42Å; I137-E168 VanDerWaalsContact O-CA 3.31Å; I137-E168 WeakPolarHBondContact O-CA 3.12Å; I137-F169 PolarHBondContact O-N 3.12Å
138	F	98.7	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.7	-179.7	-63.9	-102.3	0	0	0	108.7	V7 H8 V9 G13 M16 L136 F169 V235	V7-F138 PolarHBondContact O-N 2.84Å; H8-F138 AromaticContact CE1-CD2 3.15Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.41Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.26Å; H8-F138 AromaticContact CE1-CG 3.5Å; H8-F138 VanDerWaalsContact CE1-CG 3.5Å; H8-F138 WeakPolarHBondContact CE1-CG 3.43Å; H8-F138 AromaticContact CE1-CZ 4Å; H8-F138 WeakPolarHBondContact ND1-CB 3.39Å; H8-F138 AromaticContact ND1-CD2 3.36Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.23Å; H8-F138 AromaticContact ND1-CG 3.35Å; H8-F138 WeakPolarHBondContact ND1-CG 3.23Å; H8-F138 AromaticContact NE2-CD2 3.98Å; V9-F138 PolarHBondContact N-O 3.39Å; G13-F138 VanDerWaalsContact CA-O 3.24Å; G13-F138 WeakPolarHBondContact CA-O 3.42Å; M16-F138 HydrophobicContact CB-CD1 4.39Å; M16-F138 HydrophobicContact CE-CB 4.15Å; L136-F138 HydrophobicContact CB-CD2 4.49Å; L136-F138 HydrophobicContact CB-CE2 3.66Å; L136-F138 HydrophobicContact CB-CZ 4.29Å; L136-F138 WeakPolarHBondContact O-CD2 3.36Å; F138-F169 WeakPolarHBondContact CA-O 3.35Å; F138-F169 HydrophobicContact CD1-CB 3.54Å; F138-F169 HydrophobicContact CD1-CD2 4.02Å; F138-F169 AromaticContact CD1-CG 3.96Å; F138-F169 HydrophobicContact CD1-CG 3.96Å; F138-F169 HydrophobicContact CD2-CD2 4.46Å; F138-F169 HydrophobicContact CE1-CB 3.77Å; F138-F169 HydrophobicContact CE1-CD1 4.38Å; F138-F169 AromaticContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CE2 4.17Å; F138-F169 AromaticContact CE1-CG 3.64Å; F138-F169 HydrophobicContact CE1-CG 3.64Å; F138-F169 HydrophobicContact CE2-CD2 4.02Å; F138-F169 HydrophobicContact CE2-CE2 4.46Å; F138-F169 HydrophobicContact CG-CB 4.18Å; F138-F169 HydrophobicContact CG-CD2 4.46Å; F138-F169 AromaticContact CZ-CD2 3.51Å; F138-F169 HydrophobicContact CZ-CD2 3.51Å; F138-F169 AromaticContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CG 4.13Å; F138-V235 HydrophobicContact CE1-CB 4.42Å; F138-V235 HydrophobicContact CE1-CG1 3.72Å; F138-V235 HydrophobicContact CE1-CG2 3.77Å; F138-V235 HydrophobicContact CZ-CG1 3.62Å
139	H	98.4	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	-176.5	-174.4	75.9	130	0	0	0	112.6	V9 M16 F141 G146 T150 E168 F169 V171	V9-H139 HydrophobicContact CB-CB 4.36Å; M16-H139 WeakPolarHBondContact CE-O 3.26Å; H139-F141 AromaticContact CE1-CD2 3.63Å; H139-F141 AromaticContact CE1-CE2 3.45Å; H139-F141 VanDerWaalsContact CE1-CE2 3.45Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.32Å; H139-F141 AromaticContact NE2-CD2 3.94Å; H139-F141 AromaticContact NE2-CE2 3.51Å; H139-G146 WeakPolarHBondContact CB-O 3.19Å; H139-G146 PolarHBondContact ND1-O 2.99Å; H139-T150 HydrophobicContact CB-CG2 4.24Å; H139-E168 IonicContact CE1-OE2 3.64Å; H139-E168 PolarHBondContact CE1-OE2 3.25Å; H139-E168 IonicContact NE2-OE2 3.64Å; H139-E168 PolarHBondContact NE2-OE2 2.9Å; H139-F169 PolarHBondContact N-O 2.92Å; H139-F169 VanDerWaalsContact N-O 3.14Å; H139-V171 PolarHBondContact O-N 2.66Å
140	S	97.1	Very high	96.3	Very high	16 Å²	16	11.8 Å²	11.8	11%	0.112	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.4	175.1	164.3	0	0	0	0	109.2	G142 G146 S147 V171	S140-G142 PolarHBondContact O-N 3.33Å; S140-G142 PolarHBondContact OG-N 2.79Å; S140-G142 VanDerWaalsContact OG-N 3.14Å; S140-G146 CarbonylContact O-C 3.58Å; S140-S147 PolarHBondContact O-N 2.81Å; S140-V171 WeakPolarHBondContact CA-O 3.44Å
141	F	96.6	Very high	96.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-71.2	-21.7	176.7	-82.4	-137.4	0	0	0	111.8	H139 S147 A170 V171 Y172 N186 S187 T190 T191 M203 F267	H139-F141 AromaticContact CE1-CD2 3.63Å; H139-F141 AromaticContact CE1-CE2 3.45Å; H139-F141 VanDerWaalsContact CE1-CE2 3.45Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.32Å; H139-F141 AromaticContact NE2-CD2 3.94Å; H139-F141 AromaticContact NE2-CE2 3.51Å; F141-S147 VanDerWaalsContact O-CB 3.3Å; F141-S147 WeakPolarHBondContact O-CB 3.42Å; F141-A170 HydrophobicContact CD2-CB 3.74Å; F141-A170 HydrophobicContact CE2-CB 3.35Å; F141-A170 HydrophobicContact CZ-CB 4.31Å; F141-V171 PolarHBondContact N-O 3.27Å; F141-Y172 HydrophobicContact CB-CD2 4.34Å; F141-Y172 AromaticContact CD1-CD2 3.74Å; F141-Y172 HydrophobicContact CD1-CD2 3.74Å; F141-Y172 AromaticContact CD1-CE2 3.8Å; F141-Y172 HydrophobicContact CD1-CE2 3.8Å; F141-Y172 HydrophobicContact CE1-CD2 4.25Å; F141-Y172 HydrophobicContact CE1-CE2 4.29Å; F141-Y172 HydrophobicContact CG-CD2 4.08Å; F141-N186 CarbonylContact O-C 3.59Å; F141-N186 VanDerWaalsContact O-C 3.25Å; F141-N186 WeakPolarHBondContact O-CB 3.45Å; F141-S187 VanDerWaalsContact O-CA 3.31Å; F141-S187 WeakPolarHBondContact O-CA 3.48Å; F141-S187 PolarHBondContact O-N 2.83Å; F141-S187 PolarHBondContact O-OG 2.83Å; F141-T190 HydrophobicContact CB-CG2 3.84Å; F141-T190 HydrophobicContact CD1-CG2 3.62Å; F141-T190 HydrophobicContact CD2-CG2 4.28Å; F141-T190 HydrophobicContact CE1-CG2 4.22Å; F141-T190 HydrophobicContact CG-CG2 3.65Å; F141-T191 WeakPolarHBondContact CD1-OG1 3.15Å; F141-T191 VanDerWaalsContact CE1-OG1 3.22Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.26Å; F141-M203 HydrophobicContact CD1-CE 4.44Å; F141-M203 HydrophobicContact CE1-CE 4.02Å; F141-M203 HydrophobicContact CE2-CE 4.28Å; F141-M203 HydrophobicContact CZ-CE 3.94Å; F141-M203 HydrophobicContact CZ-SD 4.38Å; F141-F267 HydrophobicContact CE1-CE1 4.44Å; F141-F267 HydrophobicContact CZ-CE1 4.22Å
142	G	93.7	Very high	96.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	-90.8	-20.5	-172.4	0	0	0	0	0	115.9	S140 N186	S140-G142 PolarHBondContact O-N 3.33Å; S140-G142 PolarHBondContact OG-N 2.79Å; S140-G142 VanDerWaalsContact OG-N 3.14Å; G142-N186 PolarHBondContact O-ND2 3.19Å
143	G	93.3	Very high	97.1	Very high	13 Å²	13	4.7 Å²	4.7	13%	0.134	3%	0.029	C	C	.	.	S	Bend	trans	-97	149.7	-172.4	0	0	0	0	0	113.2	T145 G146 S147	G143-T145 PolarHBondContact O-N 3.43Å; G143-G146 PolarHBondContact O-N 3.48Å; G143-S147 WeakPolarHBondContact O-CB 3.46Å; G143-S147 PolarHBondContact O-N 2.97Å; G143-S147 PolarHBondContact O-OG 2.95Å
144	G	96.1	Very high	97.4	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.01	2%	0.019	C	C	.	.	H	α-helix	trans	-62.1	-46.6	-175.8	0	0	0	0	0	114.4	G148	G144-G148 WeakPolarHBondContact O-CA 3.47Å; G144-G148 PolarHBondContact O-N 3.31Å
145	T	97.9	Very high	97.5	Very high	10 Å²	10	5.2 Å²	5.2	6%	0.061	3%	0.032	C	C	.	.	I	π-helix	trans	-69.6	-49.4	172.9	-50.9	0	0	0	0	110.8	V9 D69 L70 G143 S147 F149 T150	V9-T145 HydrophobicContact CG1-CG2 3.9Å; D69-T145 WeakPolarHBondContact OD1-CB 3.28Å; D69-T145 WeakPolarHBondContact OD1-CG2 3.37Å; D69-T145 PolarHBondContact OD1-OG1 2.93Å; L70-T145 HydrophobicContact CD1-CG2 4.45Å; L70-T145 HydrophobicContact CG-CG2 3.87Å; G143-T145 PolarHBondContact O-N 3.43Å; T145-S147 PolarHBondContact O-N 3.11Å; T145-F149 HydrophobicContact CG2-CB 4.05Å; T145-F149 HydrophobicContact CG2-CD1 4.39Å; T145-F149 VanDerWaalsContact O-CB 3.29Å; T145-F149 WeakPolarHBondContact O-CB 3.25Å; T145-F149 PolarHBondContact O-N 3.02Å; T145-F149 VanDerWaalsContact O-N 3.12Å; T145-T150 PolarHBondContact O-N 3.41Å
146	G	97.4	Very high	97.5	Very high	4 Å²	4	10.8 Å²	10.8	4%	0.041	5%	0.053	C	C	.	.	I	π-helix	trans	-61.8	-29.8	-175.4	0	0	0	0	0	113.7	H139 S140 G143 T150	H139-G146 WeakPolarHBondContact CB-O 3.19Å; H139-G146 PolarHBondContact ND1-O 2.99Å; S140-G146 CarbonylContact O-C 3.58Å; G143-G146 PolarHBondContact O-N 3.48Å; G146-T150 WeakPolarHBondContact O-CB 3.44Å; G146-T150 PolarHBondContact O-OG1 3.24Å
147	S	97.9	Very high	97.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-97.4	-64.6	179.2	75.5	0	0	0	0	110.2	Y103 S140 F141 G143 T145 T150 S151 T190	Y103-S147 WeakPolarHBondContact CD2-OG 3.4Å; S140-S147 PolarHBondContact O-N 2.81Å; F141-S147 VanDerWaalsContact O-CB 3.3Å; F141-S147 WeakPolarHBondContact O-CB 3.42Å; G143-S147 WeakPolarHBondContact O-CB 3.46Å; G143-S147 PolarHBondContact O-N 2.97Å; G143-S147 PolarHBondContact O-OG 2.95Å; T145-S147 PolarHBondContact O-N 3.11Å; S147-T150 PolarHBondContact O-N 3.49Å; S147-S151 WeakPolarHBondContact O-CB 3.37Å; S147-S151 PolarHBondContact O-N 3.1Å; S147-S151 PolarHBondContact O-OG 3.23Å; S147-S151 VanDerWaalsContact O-OG 3.11Å; S147-T190 PolarHBondContact O-OG1 2.71Å
148	G	98.1	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-63.4	-51.2	-174.3	0	0	0	0	0	114.3	Y103 G106 H107 G144 T150 S151 L152	Y103-G148 WeakPolarHBondContact O-CA 3.34Å; G106-G148 CarbonylContact O-C 3.59Å; H107-G148 PolarHBondContact CD2-O 2.99Å; H107-G148 VanDerWaalsContact CD2-O 3.27Å; G144-G148 WeakPolarHBondContact O-CA 3.47Å; G144-G148 PolarHBondContact O-N 3.31Å; G148-T150 VanDerWaalsContact C-N 3.34Å; G148-S151 PolarHBondContact O-N 3.39Å; G148-L152 PolarHBondContact O-N 2.79Å
149	F	98.6	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-70	-35	180	178.8	-103.9	0	0	0	111.8	V9 V68 L70 G106 G111 I114 V115 V118 T145 L152 L153	V9-F149 HydrophobicContact CG1-CD1 3.66Å; V9-F149 HydrophobicContact CG1-CE1 4.39Å; V68-F149 HydrophobicContact CB-CE1 4.17Å; V68-F149 HydrophobicContact CG1-CD1 4.28Å; V68-F149 HydrophobicContact CG1-CE1 3.65Å; V68-F149 HydrophobicContact CG1-CZ 4.17Å; L70-F149 HydrophobicContact CD1-CB 4.5Å; L70-F149 HydrophobicContact CD2-CD2 4.39Å; L70-F149 HydrophobicContact CD2-CG 4.46Å; G106-F149 WeakPolarHBondContact O-CA 3.35Å; G106-F149 WeakPolarHBondContact O-CB 3.36Å; G106-F149 PolarHBondContact O-N 2.91Å; G111-F149 WeakPolarHBondContact O-CE2 3.44Å; I114-F149 HydrophobicContact CG2-CD2 4.12Å; I114-F149 HydrophobicContact CG2-CE2 3.48Å; I114-F149 VanDerWaalsContact CG2-CE2 3.48Å; I114-F149 HydrophobicContact CG2-CZ 3.86Å; V115-F149 HydrophobicContact CB-CE2 3.89Å; V115-F149 HydrophobicContact CG2-CE2 4.25Å; V118-F149 HydrophobicContact CB-CZ 4.18Å; V118-F149 HydrophobicContact CG1-CZ 4.4Å; V118-F149 HydrophobicContact CG2-CE1 4.3Å; V118-F149 HydrophobicContact CG2-CZ 3.77Å; T145-F149 HydrophobicContact CG2-CB 4.05Å; T145-F149 HydrophobicContact CG2-CD1 4.39Å; T145-F149 VanDerWaalsContact O-CB 3.29Å; T145-F149 WeakPolarHBondContact O-CB 3.25Å; T145-F149 PolarHBondContact O-N 3.02Å; T145-F149 VanDerWaalsContact O-N 3.12Å; F149-L152 HydrophobicContact CD2-CD2 4.46Å; F149-L152 PolarHBondContact O-N 3.19Å; F149-L153 HydrophobicContact CE1-CD2 4.24Å; F149-L153 WeakPolarHBondContact O-CB 3.34Å; F149-L153 PolarHBondContact O-N 3.28Å
150	T	98.7	Very high	97.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-45	174.4	-55.4	0	0	0	0	111.7	V9 I137 H139 T145 G146 S147 G148 L152 L153 M154	V9-T150 WeakPolarHBondContact CB-OG1 3.48Å; V9-T150 VanDerWaalsContact CG1-OG1 3.23Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.25Å; I137-T150 HydrophobicContact CG2-CG2 3.7Å; H139-T150 HydrophobicContact CB-CG2 4.24Å; T145-T150 PolarHBondContact O-N 3.41Å; G146-T150 WeakPolarHBondContact O-CB 3.44Å; G146-T150 PolarHBondContact O-OG1 3.24Å; S147-T150 PolarHBondContact O-N 3.49Å; G148-T150 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 3.15Å; T150-L153 PolarHBondContact O-N 2.96Å; T150-L153 VanDerWaalsContact O-N 3.15Å; T150-M154 HydrophobicContact CG2-CG 4.03Å; T150-M154 WeakPolarHBondContact O-CB 3.31Å; T150-M154 WeakPolarHBondContact O-CG 3.47Å; T150-M154 PolarHBondContact O-N 3.13Å
151	S	98.4	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.5	-48.6	176.1	-70.8	0	0	0	0	111.5	Y103 S147 G148 L153 M154 E155 T190	Y103-S151 VanDerWaalsContact OH-CB 3.25Å; Y103-S151 WeakPolarHBondContact OH-CB 3.5Å; Y103-S151 PolarHBondContact OH-OG 2.87Å; S147-S151 WeakPolarHBondContact O-CB 3.37Å; S147-S151 PolarHBondContact O-N 3.1Å; S147-S151 PolarHBondContact O-OG 3.23Å; S147-S151 VanDerWaalsContact O-OG 3.11Å; G148-S151 PolarHBondContact O-N 3.39Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 3.32Å; S151-M154 PolarHBondContact O-N 3.24Å; S151-E155 WeakPolarHBondContact O-CG 3.37Å; S151-E155 PolarHBondContact O-N 3.05Å; S151-E155 VanDerWaalsContact O-N 3.08Å; S151-T190 PolarHBondContact OG-OG1 3.07Å; S151-T190 VanDerWaalsContact OG-OG1 3.07Å
152	L	98.4	Very high	97.2	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-43.8	176.1	175.9	65.5	0	0	0	111.4	H107 K112 V115 G148 F149 T150 R156	H107-L152 PolarHBondContact CD2-N 2.97Å; H107-L152 VanDerWaalsContact CD2-N 3.31Å; K112-L152 HydrophobicContact CG-CD2 3.97Å; V115-L152 HydrophobicContact CB-CD2 3.92Å; V115-L152 HydrophobicContact CB-CG 4.45Å; V115-L152 HydrophobicContact CG1-CD2 4.12Å; V115-L152 HydrophobicContact CG2-CD2 4.13Å; V115-L152 HydrophobicContact CG2-CG 4.12Å; G148-L152 PolarHBondContact O-N 2.79Å; F149-L152 HydrophobicContact CD2-CD2 4.46Å; F149-L152 PolarHBondContact O-N 3.19Å; T150-L152 PolarHBondContact O-N 3.15Å; L152-R156 VanDerWaalsContact O-CG 3.29Å; L152-R156 WeakPolarHBondContact O-CG 3.39Å; L152-R156 PolarHBondContact O-N 3.32Å
153	L	98.6	Very high	97.1	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-40.1	-180	-179.2	60.8	0	0	0	111.6	V7 V9 V115 V118 L119 I122 F149 T150 S151 R156 L157	V7-L153 HydrophobicContact CG1-CD2 3.77Å; V9-L153 HydrophobicContact CG2-CD2 4.4Å; V115-L153 HydrophobicContact CG2-CD1 4.42Å; V118-L153 HydrophobicContact CG1-CD1 4.01Å; V118-L153 HydrophobicContact CG1-CD2 4.12Å; L119-L153 HydrophobicContact CD2-CD1 3.83Å; L119-L153 HydrophobicContact CG-CD1 4.24Å; I122-L153 HydrophobicContact CD1-CD1 4.16Å; I122-L153 HydrophobicContact CD1-CD2 4.44Å; F149-L153 HydrophobicContact CE1-CD2 4.24Å; F149-L153 WeakPolarHBondContact O-CB 3.34Å; F149-L153 PolarHBondContact O-N 3.28Å; T150-L153 PolarHBondContact O-N 2.96Å; T150-L153 VanDerWaalsContact O-N 3.15Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 3.32Å; L153-R156 PolarHBondContact O-N 3.36Å; L153-L157 HydrophobicContact CD1-CD1 4.42Å; L153-L157 HydrophobicContact CD1-CG 4.2Å; L153-L157 HydrophobicContact CG-CD1 4.02Å; L153-L157 HydrophobicContact CG-CG 4.24Å; L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.98Å
154	M	98.3	Very high	97.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-39.9	180	-75.8	-72.1	-78.6	0	0	112.3	I137 T150 S151 R156 L157 S158 K166 E168 T194 H197	I137-M154 HydrophobicContact CD1-CE 4.14Å; I137-M154 HydrophobicContact CD1-SD 3.46Å; I137-M154 WeakPolarHBondContact CD1-SD 3.22Å; I137-M154 HydrophobicContact CG1-SD 3.88Å; T150-M154 HydrophobicContact CG2-CG 4.03Å; T150-M154 WeakPolarHBondContact O-CB 3.31Å; T150-M154 WeakPolarHBondContact O-CG 3.47Å; T150-M154 PolarHBondContact O-N 3.13Å; S151-M154 PolarHBondContact O-N 3.24Å; M154-R156 VanDerWaalsContact C-N 3.33Å; M154-R156 PolarHBondContact O-N 3.45Å; M154-L157 PolarHBondContact O-N 2.92Å; M154-S158 WeakPolarHBondContact O-CB 3.35Å; M154-S158 PolarHBondContact O-N 3.49Å; M154-S158 PolarHBondContact O-OG 3.41Å; M154-K166 HydrophobicContact CE-CB 3.98Å; M154-K166 HydrophobicContact CE-CD 4.11Å; M154-K166 HydrophobicContact CE-CG 4.49Å; M154-K166 HydrophobicContact SD-CB 4.39Å; M154-K166 HydrophobicContact SD-CD 4.01Å; M154-K166 HydrophobicContact SD-CG 4.4Å; M154-E168 HydrophobicContact CE-CG 4.31Å; M154-T194 HydrophobicContact CB-CG2 4.44Å; M154-T194 HydrophobicContact CG-CG2 4.38Å; M154-H197 HydrophobicContact CB-CB 4.1Å; M154-H197 HydrophobicContact CE-CB 4.19Å; M154-H197 VanDerWaalsContact CE-O 3.3Å; M154-H197 WeakPolarHBondContact CE-O 3.16Å
155	E	97.9	Very high	97.1	Very high	58 Å²	58	39.1 Å²	39.1	27%	0.271	20%	0.204	S	C	.	.	H	α-helix	trans	-55.8	-49.4	170.5	-70.2	176.9	178.6	0	0	110.6	H107 S151 S158 V159 T193	H107-E155 IonicContact CE1-OE1 3.94Å; H107-E155 IonicContact NE2-OE1 3.76Å; H107-E155 PolarHBondContact NE2-OE1 2.97Å; H107-E155 IonicContact NE2-OE2 3.98Å; S151-E155 WeakPolarHBondContact O-CG 3.37Å; S151-E155 PolarHBondContact O-N 3.05Å; S151-E155 VanDerWaalsContact O-N 3.08Å; E155-S158 WeakPolarHBondContact O-CB 3.44Å; E155-S158 PolarHBondContact O-N 3.15Å; E155-V159 WeakPolarHBondContact O-CG2 3.08Å; E155-V159 PolarHBondContact O-N 3.03Å; E155-V159 VanDerWaalsContact O-N 3.14Å; E155-T193 HydrophobicContact CG-CG2 4.16Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.36Å
156	R	98	Very high	97.1	Very high	117 Å²	117	39 Å²	39	44%	0.442	20%	0.203	S	C	.	.	H	α-helix	trans	-68.3	-40.7	-178	-61.1	-65.1	174.8	166.3	-0.9	112.8	V115 L119 L152 L153 M154 S158 V159 D160	V115-R156 HydrophobicContact CG2-CG 4.2Å; L119-R156 HydrophobicContact CD1-CB 3.66Å; L119-R156 HydrophobicContact CD1-CG 3.99Å; L119-R156 HydrophobicContact CD2-CB 3.88Å; L119-R156 HydrophobicContact CG-CB 4.34Å; L152-R156 VanDerWaalsContact O-CG 3.29Å; L152-R156 WeakPolarHBondContact O-CG 3.39Å; L152-R156 PolarHBondContact O-N 3.32Å; L153-R156 PolarHBondContact O-N 3.36Å; M154-R156 VanDerWaalsContact C-N 3.33Å; M154-R156 PolarHBondContact O-N 3.45Å; R156-S158 VanDerWaalsContact C-N 3.25Å; R156-S158 PolarHBondContact O-N 3.23Å; R156-V159 WeakPolarHBondContact O-CB 3.36Å; R156-V159 PolarHBondContact O-N 3.01Å; R156-D160 PolarHBondContact O-N 2.9Å
157	L	98.1	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-33.4	173.9	-72.5	177.5	0	0	0	111.8	L119 I122 F135 L153 M154 V159 Y161 K166	L119-L157 HydrophobicContact CD2-CD2 4.1Å; I122-L157 HydrophobicContact CD1-CD2 4.05Å; I122-L157 HydrophobicContact CG2-CD2 4.02Å; F135-L157 HydrophobicContact CE1-CD2 4.32Å; F135-L157 HydrophobicContact CE2-CD2 4.4Å; F135-L157 HydrophobicContact CG-CD1 4.47Å; F135-L157 HydrophobicContact CZ-CD2 4.14Å; L153-L157 HydrophobicContact CD1-CD1 4.42Å; L153-L157 HydrophobicContact CD1-CG 4.2Å; L153-L157 HydrophobicContact CG-CD1 4.02Å; L153-L157 HydrophobicContact CG-CG 4.24Å; L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.98Å; M154-L157 PolarHBondContact O-N 2.92Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-Y161 HydrophobicContact CD2-CD2 3.86Å; L157-Y161 HydrophobicContact CD2-CE2 4.15Å; L157-Y161 CarbonylContact O-C 3.6Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.45Å; L157-Y161 VanDerWaalsContact O-CB 3.29Å; L157-Y161 WeakPolarHBondContact O-CB 3.48Å; L157-Y161 PolarHBondContact O-N 2.86Å; L157-K166 HydrophobicContact CB-CD 4.28Å
158	S	97.3	Very high	97	Very high	25 Å²	25	38.9 Å²	38.9	18%	0.175	20%	0.201	C	C	.	.	H	α-helix	trans	-69.8	-33.4	176	-62.4	0	0	0	0	112.3	M154 E155 R156 G162 K166 H197	M154-S158 WeakPolarHBondContact O-CB 3.35Å; M154-S158 PolarHBondContact O-N 3.49Å; M154-S158 PolarHBondContact O-OG 3.41Å; E155-S158 WeakPolarHBondContact O-CB 3.44Å; E155-S158 PolarHBondContact O-N 3.15Å; R156-S158 VanDerWaalsContact C-N 3.25Å; R156-S158 PolarHBondContact O-N 3.23Å; S158-G162 WeakPolarHBondContact O-CA 3.37Å; S158-G162 PolarHBondContact O-N 2.83Å; S158-G162 VanDerWaalsContact O-N 3.09Å; S158-K166 WeakPolarHBondContact OG-CE 3.28Å; S158-H197 WeakPolarHBondContact OG-CB 3.42Å; S158-H197 PolarHBondContact OG-ND1 3.26Å
159	V	97.5	Very high	97	Very high	116 Å²	116	39.1 Å²	39.1	70%	0.703	20%	0.202	S	C	*	.	H	α-helix	trans	-66.6	-50.7	172.6	175.2	0	0	0	0	111.3	E155 R156 L157	E155-V159 WeakPolarHBondContact O-CG2 3.08Å; E155-V159 PolarHBondContact O-N 3.03Å; E155-V159 VanDerWaalsContact O-N 3.14Å; R156-V159 WeakPolarHBondContact O-CB 3.36Å; R156-V159 PolarHBondContact O-N 3.01Å; L157-V159 VanDerWaalsContact C-N 3.35Å
160	D	97.4	Very high	97	Very high	100 Å²	100	39.1 Å²	39.1	54%	0.535	20%	0.202	S	C	.	.	H	α-helix	trans	-81.3	-30.3	-173	-69.5	-14.9	0	0	0	113	R156	R156-D160 PolarHBondContact O-N 2.9Å
161	Y	96.9	Very high	96.9	Very high	37 Å²	37	39.3 Å²	39.3	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-133.1	37.5	-171.5	-56.1	-80.2	0	0	0	113	I122 R123 A126 L132 F135 L157 K163 K164	I122-Y161 HydrophobicContact CG2-CE2 4.27Å; R123-Y161 VanDerWaalsContact CA-OH 3.31Å; R123-Y161 WeakPolarHBondContact CA-OH 3.5Å; A126-Y161 HydrophobicContact CB-CE1 3.95Å; L132-Y161 HydrophobicContact CD2-CD1 4.42Å; L132-Y161 HydrophobicContact CD2-CE1 4.47Å; F135-Y161 HydrophobicContact CE2-CD1 4.41Å; F135-Y161 AromaticContact CE2-CD2 4Å; F135-Y161 HydrophobicContact CE2-CD2 4Å; F135-Y161 AromaticContact CE2-CG 3.77Å; F135-Y161 HydrophobicContact CE2-CG 3.77Å; F135-Y161 HydrophobicContact CZ-CD1 4.1Å; F135-Y161 AromaticContact CZ-CD2 3.67Å; F135-Y161 HydrophobicContact CZ-CD2 3.67Å; F135-Y161 HydrophobicContact CZ-CE1 4.47Å; F135-Y161 HydrophobicContact CZ-CE2 4.08Å; F135-Y161 AromaticContact CZ-CG 3.69Å; F135-Y161 HydrophobicContact CZ-CG 3.69Å; L157-Y161 HydrophobicContact CD2-CD2 3.86Å; L157-Y161 HydrophobicContact CD2-CE2 4.15Å; L157-Y161 CarbonylContact O-C 3.6Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.45Å; L157-Y161 VanDerWaalsContact O-CB 3.29Å; L157-Y161 WeakPolarHBondContact O-CB 3.48Å; L157-Y161 PolarHBondContact O-N 2.86Å; Y161-K163 PolarHBondContact O-N 3.05Å; Y161-K164 HydrophobicContact CD1-CG 4.31Å; Y161-K164 WeakPolarHBondContact O-CB 3.45Å; Y161-K164 PolarHBondContact O-N 3.29Å
162	G	92.7	Very high	96.7	Very high	56 Å²	56	39.6 Å²	39.6	58%	0.577	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.6	-174.2	0	0	0	0	0	116.7	S158	S158-G162 WeakPolarHBondContact O-CA 3.37Å; S158-G162 PolarHBondContact O-N 2.83Å; S158-G162 VanDerWaalsContact O-N 3.09Å
163	K	92.3	Very high	96.4	Very high	212 Å²	212	40 Å²	40	92%	0.922	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-1	175.8	-63.8	-176.5	179.2	179.4	0	114.5	Y161	Y161-K163 PolarHBondContact O-N 3.05Å
164	K	94.7	Very high	95.9	Very high	71 Å²	71	40 Å²	40	31%	0.309	21%	0.207	S	C	.	.	S	Bend	trans	-98.5	137	-177	-59.4	-57.4	-176.8	-177.5	0	109.8	L132 F135 Y161 K166	L132-K164 HydrophobicContact CD2-CG 4.48Å; L132-K164 WeakPolarHBondContact O-CD 3.23Å; L132-K164 WeakPolarHBondContact O-CE 3.47Å; L132-K164 PolarHBondContact O-NZ 2.79Å; F135-K164 HydrophobicContact CD2-CB 4.4Å; F135-K164 HydrophobicContact CE2-CB 4.01Å; Y161-K164 HydrophobicContact CD1-CG 4.31Å; Y161-K164 WeakPolarHBondContact O-CB 3.45Å; Y161-K164 PolarHBondContact O-N 3.29Å; K164-K166 PolarHBondContact O-NZ 3.41Å
165	S	95.2	Very high	95.1	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.2	-179.5	-61.4	0	0	0	0	111	Q133 G134 F135 D199	Q133-S165 PolarHBondContact O-N 2.89Å; G134-S165 CarbonylContact C-O 3.53Å; G134-S165 WeakPolarHBondContact CA-O 3.39Å; F135-S165 PolarHBondContact N-O 3.3Å; S165-D199 WeakPolarHBondContact CA-OD2 3.25Å
166	K	96.8	Very high	94.4	Very high	8 Å²	8	47 Å²	47	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	102.8	174.9	-74.3	168.2	-74.7	-63.6	0	107.6	F135 I137 M154 L157 S158 K164 H197 D199	F135-K166 HydrophobicContact CB-CG 4.38Å; F135-K166 HydrophobicContact CD2-CG 4.04Å; I137-K166 HydrophobicContact CD1-CB 3.78Å; I137-K166 HydrophobicContact CD1-CG 4.1Å; M154-K166 HydrophobicContact CE-CB 3.98Å; M154-K166 HydrophobicContact CE-CD 4.11Å; M154-K166 HydrophobicContact CE-CG 4.49Å; M154-K166 HydrophobicContact SD-CB 4.39Å; M154-K166 HydrophobicContact SD-CD 4.01Å; M154-K166 HydrophobicContact SD-CG 4.4Å; L157-K166 HydrophobicContact CB-CD 4.28Å; S158-K166 WeakPolarHBondContact OG-CE 3.28Å; K164-K166 PolarHBondContact O-NZ 3.41Å; K166-H197 WeakPolarHBondContact CD-O 3.35Å; K166-H197 WeakPolarHBondContact CE-O 3.32Å; K166-D199 PolarHBondContact N-OD2 2.65Å; K166-D199 PolarHBondContact O-N 3.4Å
167	L	96.5	Very high	93.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.7	176.7	-51.6	-169.2	0	0	0	109.3	F135 L136 I137 D199 C200 F202 L252 F255	F135-L167 PolarHBondContact O-N 3.3Å; L136-L167 CarbonylContact C-O 3.5Å; L136-L167 WeakPolarHBondContact CA-O 3.26Å; L136-L167 HydrophobicContact CD2-CB 4.1Å; L136-L167 HydrophobicContact CD2-CD1 4.28Å; L136-L167 HydrophobicContact CD2-CG 4.4Å; I137-L167 PolarHBondContact N-O 2.84Å; L167-D199 HydrophobicContact CD2-CB 4.28Å; L167-C200 CarbonylContact C-O 3.58Å; L167-C200 WeakPolarHBondContact CA-O 3.49Å; L167-C200 HydrophobicContact CD2-CB 3.81Å; L167-F202 HydrophobicContact CB-CE2 4.15Å; L167-F202 HydrophobicContact CD1-CE2 3.94Å; L167-F202 HydrophobicContact CD1-CZ 4.27Å; L167-L252 HydrophobicContact CD1-CB 4.41Å; L167-L252 HydrophobicContact CD1-CD2 3.4Å; L167-L252 VanDerWaalsContact CD1-CD2 3.4Å; L167-L252 HydrophobicContact CD1-CG 4.43Å; L167-L252 HydrophobicContact CG-CD2 4.31Å; L167-F255 HydrophobicContact CD1-CD2 4.01Å
168	E	97.9	Very high	93	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.9	179.8	-64	175.1	-70.3	0	0	111	I137 H139 M154 S198 C200 A201 F202	I137-E168 HydrophobicContact CB-CG 4.17Å; I137-E168 HydrophobicContact CD1-CG 4.41Å; I137-E168 CarbonylContact O-C 3.42Å; I137-E168 VanDerWaalsContact O-CA 3.31Å; I137-E168 WeakPolarHBondContact O-CA 3.12Å; H139-E168 IonicContact CE1-OE2 3.64Å; H139-E168 PolarHBondContact CE1-OE2 3.25Å; H139-E168 IonicContact NE2-OE2 3.64Å; H139-E168 PolarHBondContact NE2-OE2 2.9Å; M154-E168 HydrophobicContact CE-CG 4.31Å; E168-S198 WeakPolarHBondContact OE1-CB 3.46Å; E168-S198 PolarHBondContact OE1-OG 3.31Å; E168-C200 PolarHBondContact N-O 3.15Å; E168-A201 HydrophobicContact CB-CB 3.99Å; E168-F202 WeakPolarHBondContact O-CD2 3.34Å; E168-F202 PolarHBondContact O-N 2.76Å
169	F	97.9	Very high	92.2	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.022	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	99.4	165.3	-68.8	-86.1	0	0	0	106.6	L136 I137 F138 H139 F202 V235 I238	L136-F169 HydrophobicContact CB-CE2 4.22Å; L136-F169 HydrophobicContact CD2-CE2 4.23Å; I137-F169 PolarHBondContact O-N 3.12Å; F138-F169 WeakPolarHBondContact CA-O 3.35Å; F138-F169 HydrophobicContact CD1-CB 3.54Å; F138-F169 HydrophobicContact CD1-CD2 4.02Å; F138-F169 AromaticContact CD1-CG 3.96Å; F138-F169 HydrophobicContact CD1-CG 3.96Å; F138-F169 HydrophobicContact CD2-CD2 4.46Å; F138-F169 HydrophobicContact CE1-CB 3.77Å; F138-F169 HydrophobicContact CE1-CD1 4.38Å; F138-F169 AromaticContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CE2 4.17Å; F138-F169 AromaticContact CE1-CG 3.64Å; F138-F169 HydrophobicContact CE1-CG 3.64Å; F138-F169 HydrophobicContact CE2-CD2 4.02Å; F138-F169 HydrophobicContact CE2-CE2 4.46Å; F138-F169 HydrophobicContact CG-CB 4.18Å; F138-F169 HydrophobicContact CG-CD2 4.46Å; F138-F169 AromaticContact CZ-CD2 3.51Å; F138-F169 HydrophobicContact CZ-CD2 3.51Å; F138-F169 AromaticContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CG 4.13Å; H139-F169 PolarHBondContact N-O 2.92Å; H139-F169 VanDerWaalsContact N-O 3.14Å; F169-F202 HydrophobicContact CD1-CB 4.25Å; F169-F202 HydrophobicContact CD1-CD2 4.06Å; F169-F202 AromaticContact CE1-CD2 3.74Å; F169-F202 HydrophobicContact CE1-CD2 3.74Å; F169-F202 HydrophobicContact CE1-CE2 4.44Å; F169-F202 HydrophobicContact CE1-CG 4.48Å; F169-F202 HydrophobicContact CE2-CD2 4.42Å; F169-F202 AromaticContact CZ-CD2 3.92Å; F169-F202 HydrophobicContact CZ-CD2 3.92Å; F169-F202 HydrophobicContact CZ-CE2 4.24Å; F169-V235 HydrophobicContact CD1-CG2 3.59Å; F169-V235 HydrophobicContact CE1-CB 4.04Å; F169-V235 HydrophobicContact CE1-CG1 4.05Å; F169-V235 HydrophobicContact CE1-CG2 3.57Å; F169-V235 HydrophobicContact CE2-CG1 4.18Å; F169-V235 HydrophobicContact CG-CG2 4.18Å; F169-V235 HydrophobicContact CZ-CB 4.31Å; F169-V235 HydrophobicContact CZ-CG1 3.83Å; F169-V235 HydrophobicContact CZ-CG2 4.21Å; F169-I238 HydrophobicContact CE1-CD1 3.59Å; F169-I238 HydrophobicContact CE1-CG1 4.45Å; F169-I238 HydrophobicContact CZ-CB 4.34Å; F169-I238 HydrophobicContact CZ-CD1 4.01Å; F169-I238 HydrophobicContact CZ-CG2 4.26Å
170	A	97	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.1	-162.5	0	0	0	0	0	111.6	F141 Y172 F202 M203 V204	F141-A170 HydrophobicContact CD2-CB 3.74Å; F141-A170 HydrophobicContact CE2-CB 3.35Å; F141-A170 HydrophobicContact CZ-CB 4.31Å; A170-Y172 PolarHBondContact O-N 3.37Å; A170-F202 PolarHBondContact N-O 3.22Å; A170-F202 VanDerWaalsContact N-O 3.09Å; A170-M203 HydrophobicContact CB-CE 4.39Å; A170-M203 HydrophobicContact CB-SD 3.95Å; A170-V204 WeakPolarHBondContact O-CG2 3.3Å; A170-V204 PolarHBondContact O-N 3.04Å
171	V	96.4	Very high	91.5	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.9	166.1	-175.8	0	0	0	0	108.6	A12 M16 H139 S140 F141 V204	A12-V171 HydrophobicContact CB-CG2 4.29Å; M16-V171 HydrophobicContact CE-CG2 3.84Å; M16-V171 HydrophobicContact SD-CG2 3.7Å; H139-V171 PolarHBondContact O-N 2.66Å; S140-V171 WeakPolarHBondContact CA-O 3.44Å; F141-V171 PolarHBondContact N-O 3.27Å; V171-V204 CarbonylContact C-O 3.51Å; V171-V204 WeakPolarHBondContact CA-O 3.34Å; V171-V204 HydrophobicContact CG2-CG2 4.09Å
172	Y	95.1	Very high	91.5	Very high	6 Å²	6	42.6 Å²	42.6	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	152.2	-179.4	-164	-106.5	0	0	0	111.7	F141 A170 A174 M203 V204 A387 W388 L391	F141-Y172 HydrophobicContact CB-CD2 4.34Å; F141-Y172 AromaticContact CD1-CD2 3.74Å; F141-Y172 HydrophobicContact CD1-CD2 3.74Å; F141-Y172 AromaticContact CD1-CE2 3.8Å; F141-Y172 HydrophobicContact CD1-CE2 3.8Å; F141-Y172 HydrophobicContact CE1-CD2 4.25Å; F141-Y172 HydrophobicContact CE1-CE2 4.29Å; F141-Y172 HydrophobicContact CG-CD2 4.08Å; A170-Y172 PolarHBondContact O-N 3.37Å; Y172-A174 PolarHBondContact O-N 2.68Å; Y172-M203 HydrophobicContact CD2-CE 3.12Å; Y172-M203 HydrophobicContact CE2-CE 3.98Å; Y172-M203 HydrophobicContact CG-CE 3.55Å; Y172-V204 PolarHBondContact N-O 3.38Å; Y172-A387 HydrophobicContact CD1-CB 4.5Å; Y172-A387 HydrophobicContact CE1-CB 3.91Å; Y172-W388 HydrophobicContact CD2-CH2 4.41Å; Y172-W388 HydrophobicContact CD2-CZ3 4.15Å; Y172-W388 HydrophobicContact CE1-CZ3 4.32Å; Y172-W388 HydrophobicContact CE2-CE3 4Å; Y172-W388 AromaticContact CE2-CH2 3.84Å; Y172-W388 HydrophobicContact CE2-CH2 3.84Å; Y172-W388 AromaticContact CE2-CZ3 3.18Å; Y172-W388 HydrophobicContact CE2-CZ3 3.18Å; Y172-W388 AromaticContact CZ-CE3 3.61Å; Y172-W388 AromaticContact CZ-CZ3 3.27Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.46Å; Y172-L391 HydrophobicContact CE2-CD2 4.33Å; Y172-L391 WeakPolarHBondContact OH-CB 3.44Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.25Å
173	P	92	Very high	91.7	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.071	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55.7	133	176.4	-30	38.4	0	0	0	113.6	E183 S187 L391	P173-E183 HydrophobicContact CB-CG 3.98Å; P173-E183 HydrophobicContact CG-CG 3.81Å; P173-S187 WeakPolarHBondContact CG-OG 3.48Å; P173-L391 HydrophobicContact CG-CD1 4.47Å
174	A	87.9	Confident	91.9	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.025	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-82.6	153.5	172.7	0	0	0	0	0	111.6	Y172 Q176 I177 D205 E207 K394	Y172-A174 PolarHBondContact O-N 2.68Å; A174-Q176 PolarHBondContact O-N 3.15Å; A174-I177 HydrophobicContact CB-CB 3.9Å; A174-I177 WeakPolarHBondContact CB-O 3.46Å; A174-D205 WeakPolarHBondContact CA-OD1 3.45Å; A174-D205 WeakPolarHBondContact CB-OD1 3.44Å; A174-E207 HydrophobicContact CB-CB 3.68Å; A174-K394 PolarHBondContact O-NZ 2.95Å; A174-K394 VanDerWaalsContact O-NZ 3.12Å
175	P	81	Confident	92	Very high	39 Å²	39	27.4 Å²	27.4	25%	0.253	16%	0.16	S	C	.	.	S	Bend	trans	-56.6	-47.6	170.6	-26.6	34.5	0	0	0	113.7	D205 E207 K304 K394	P175-D205 WeakPolarHBondContact CD-OD2 3.25Å; P175-E207 VanDerWaalsContact CD-OE2 3.28Å; P175-E207 WeakPolarHBondContact CD-OE2 3.43Å; P175-K304 HydrophobicContact CG-CB 3.77Å; P175-K304 HydrophobicContact CG-CG 4.08Å; P175-K394 PolarHBondContact O-NZ 3.4Å
176	Q	85	Confident	92.2	Very high	168 Å²	168	27 Å²	27	79%	0.785	16%	0.157	S	C	*	.	S	Bend	trans	-114.6	-15	-170.5	-55.8	-175	10.9	0	0	114.3	A174 E207	A174-Q176 PolarHBondContact O-N 3.15Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.35Å; Q176-E207 PolarHBondContact N-OE2 3.04Å
177	I	82.8	Confident	92.2	Very high	59 Å²	59	26.6 Å²	26.6	30%	0.303	16%	0.155	S	C	.	.			trans	-112.9	81.8	-178.1	-52.7	-179.3	0	0	0	109.3	A174 E207 Y210	A174-I177 HydrophobicContact CB-CB 3.9Å; A174-I177 WeakPolarHBondContact CB-O 3.46Å; I177-E207 HydrophobicContact CD1-CB 3.89Å; I177-E207 HydrophobicContact CD1-CG 4.06Å; I177-E207 HydrophobicContact CG1-CB 4.2Å; I177-E207 HydrophobicContact CG1-CG 4.3Å; I177-Y210 HydrophobicContact CD1-CD2 3.57Å; I177-Y210 HydrophobicContact CD1-CE2 4.03Å; I177-Y210 HydrophobicContact CD1-CG 4.46Å
178	A	83.1	Confident	92.2	Very high	60 Å²	60	26.6 Å²	26.6	50%	0.496	16%	0.155	S	C	.	.			trans	-90.9	135.3	173.2	0	0	0	0	0	110.5	E183	A178-E183 WeakPolarHBondContact CA-OE2 3.28Å; A178-E183 WeakPolarHBondContact CB-OE2 3.24Å
179	T	81	Confident	92.3	Very high	68 Å²	68	26.7 Å²	26.7	42%	0.417	16%	0.156	S	C	.	.	S	Bend	trans	-86.8	-23.4	177.9	56.1	0	0	0	0	112.8	E183	T179-E183 PolarHBondContact N-OE1 3.03Å; T179-E183 PolarHBondContact OG1-OE1 3.5Å; T179-E183 VanDerWaalsContact OG1-OE1 3.11Å
180	A	88.5	Confident	92.3	Very high	13 Å²	13	26.5 Å²	26.5	11%	0.107	16%	0.155	C	C	.	.	S	Bend	trans	-143.2	149.5	178.4	0	0	0	0	0	111.2	N101 V182 E183	N101-A180 HydrophobicContact CB-CB 3.68Å; A180-V182 PolarHBondContact O-N 3.02Å; A180-E183 WeakPolarHBondContact O-CB 3.37Å; A180-E183 PolarHBondContact O-N 3.09Å
181	V	91.9	Very high	92.3	Very high	98 Å²	98	26.6 Å²	26.6	59%	0.594	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.5	177.2	-66.7	0	0	0	0	113.1	M398 F404	V181-M398 VanDerWaalsContact O-CE 3.25Å; V181-M398 WeakPolarHBondContact O-CE 3.39Å; V181-F404 HydrophobicContact CB-CE2 4.39Å; V181-F404 HydrophobicContact CB-CZ 4.47Å; V181-F404 HydrophobicContact CG2-CE1 4.3Å; V181-F404 HydrophobicContact CG2-CE2 4.04Å; V181-F404 HydrophobicContact CG2-CZ 3.83Å
182	V	95.8	Very high	92.3	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.024	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	9.4	178.8	-58.7	0	0	0	0	113.5	N101 A180 P184 Y185 N186 M398 F404 W407 Y408	N101-V182 HydrophobicContact CB-CG2 4.48Å; N101-V182 WeakPolarHBondContact O-CG2 3.28Å; A180-V182 PolarHBondContact O-N 3.02Å; V182-P184 VanDerWaalsContact C-N 3.26Å; V182-Y185 PolarHBondContact O-N 2.99Å; V182-Y185 VanDerWaalsContact O-N 3.09Å; V182-N186 PolarHBondContact O-N 3.04Å; V182-N186 VanDerWaalsContact O-N 3.17Å; V182-M398 HydrophobicContact CG1-CE 4.5Å; V182-F404 HydrophobicContact CG1-CB 3.67Å; V182-F404 HydrophobicContact CG1-CD1 4.28Å; V182-F404 HydrophobicContact CG1-CD2 3.84Å; V182-F404 HydrophobicContact CG1-CG 3.67Å; V182-W407 HydrophobicContact CG1-CE3 4.44Å; V182-Y408 HydrophobicContact CB-CE2 4.28Å; V182-Y408 VanDerWaalsContact CB-OH 3.25Å; V182-Y408 WeakPolarHBondContact CB-OH 3.44Å; V182-Y408 HydrophobicContact CG1-CE2 4.31Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.44Å; V182-Y408 PolarHBondContact O-OH 3.32Å
183	E	96.1	Very high	92.4	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-48.5	-41.3	176.2	177.1	176.1	-83.6	0	0	112.8	P173 A178 T179 A180 Y185 N186 S187	P173-E183 HydrophobicContact CB-CG 3.98Å; P173-E183 HydrophobicContact CG-CG 3.81Å; A178-E183 WeakPolarHBondContact CA-OE2 3.28Å; A178-E183 WeakPolarHBondContact CB-OE2 3.24Å; T179-E183 PolarHBondContact N-OE1 3.03Å; T179-E183 PolarHBondContact OG1-OE1 3.5Å; T179-E183 VanDerWaalsContact OG1-OE1 3.11Å; A180-E183 WeakPolarHBondContact O-CB 3.37Å; A180-E183 PolarHBondContact O-N 3.09Å; E183-Y185 PolarHBondContact O-N 3.14Å; E183-N186 PolarHBondContact O-N 3.37Å; E183-S187 WeakPolarHBondContact O-CB 3.28Å; E183-S187 PolarHBondContact O-N 2.94Å; E183-S187 PolarHBondContact O-OG 3.39Å
184	P	96.8	Very high	92.7	Very high	11 Å²	11	29.3 Å²	29.3	7%	0.071	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-44.7	177.3	-27.2	37.2	0	0	0	114.4	V182 S187 I188 L391 K394 F395 M398	V182-P184 VanDerWaalsContact C-N 3.26Å; P184-S187 PolarHBondContact O-N 3.17Å; P184-I188 WeakPolarHBondContact O-CG1 3.5Å; P184-I188 PolarHBondContact O-N 2.99Å; P184-L391 HydrophobicContact CB-CD1 3.99Å; P184-K394 HydrophobicContact CB-CB 4.09Å; P184-K394 HydrophobicContact CG-CB 3.79Å; P184-K394 HydrophobicContact CG-CD 4.34Å; P184-F395 HydrophobicContact CB-CB 4.48Å; P184-M398 HydrophobicContact CB-SD 4.16Å; P184-M398 HydrophobicContact CG-SD 3.8Å
185	Y	97.9	Very high	93	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-46.8	177.4	-73.1	-9	0	0	0	111.8	V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418	V182-Y185 PolarHBondContact O-N 2.99Å; V182-Y185 VanDerWaalsContact O-N 3.09Å; E183-Y185 PolarHBondContact O-N 3.14Å; Y185-S187 VanDerWaalsContact C-N 3.26Å; Y185-S187 PolarHBondContact O-N 2.8Å; Y185-I188 PolarHBondContact O-N 2.87Å; Y185-L189 WeakPolarHBondContact O-CB 3.03Å; Y185-L189 WeakPolarHBondContact O-CD1 3.37Å; Y185-L189 VanDerWaalsContact O-CG 3.24Å; Y185-L189 WeakPolarHBondContact O-CG 3.4Å; Y185-L189 PolarHBondContact O-N 2.91Å; Y185-F395 AromaticContact CD1-CD2 3.35Å; Y185-F395 HydrophobicContact CD1-CD2 3.35Å; Y185-F395 AromaticContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CE2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CG 4.22Å; Y185-F395 HydrophobicContact CD1-CZ 4.39Å; Y185-F395 AromaticContact CE1-CD2 3.75Å; Y185-F395 HydrophobicContact CE1-CD2 3.75Å; Y185-F395 AromaticContact CE1-CE2 3.78Å; Y185-F395 HydrophobicContact CE1-CE2 3.78Å; Y185-F395 HydrophobicContact CE1-CG 4.26Å; Y185-F395 HydrophobicContact CE1-CZ 4.3Å; Y185-F395 HydrophobicContact CG-CE2 4.47Å; Y185-M398 HydrophobicContact CD2-CE 4.43Å; Y185-M398 HydrophobicContact CE1-CB 3.86Å; Y185-M398 HydrophobicContact CE2-CE 4.22Å; Y185-M398 VanDerWaalsContact OH-C 3.23Å; Y185-M398 PolarHBondContact OH-O 3.31Å; Y185-Y399 HydrophobicContact CE1-CD2 4.4Å; Y185-Y399 VanDerWaalsContact OH-CA 3.25Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.45Å; Y185-Y399 PolarHBondContact OH-N 3.3Å; Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 3.31Å; Y185-F404 HydrophobicContact CE2-CB 4.48Å; Y185-V405 HydrophobicContact CE2-CG2 4.2Å; Y185-Y408 HydrophobicContact CD2-CD2 4.26Å; Y185-Y408 AromaticContact CD2-CE2 3.71Å; Y185-Y408 HydrophobicContact CD2-CE2 3.71Å; Y185-Y408 AromaticContact CD2-CZ 3.96Å; Y185-F418 HydrophobicContact CD1-CD1 4.41Å; Y185-F418 HydrophobicContact CD1-CE1 4.02Å; Y185-F418 AromaticContact CD2-CE1 3.66Å; Y185-F418 HydrophobicContact CD2-CE1 3.66Å; Y185-F418 AromaticContact CD2-CZ 3.99Å; Y185-F418 HydrophobicContact CD2-CZ 3.99Å; Y185-F418 HydrophobicContact CE1-CE1 4.42Å; Y185-F418 HydrophobicContact CE2-CE1 4.1Å; Y185-F418 HydrophobicContact CE2-CZ 4.24Å; Y185-F418 HydrophobicContact CG-CD1 4.41Å; Y185-F418 AromaticContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CZ 4.39Å
186	N	98.1	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-42.3	178.7	-70.3	-12.5	0	0	0	111.9	N101 Y103 F141 G142 V182 E183 T190 Y408	N101-N186 PolarHBondContact O-ND2 2.62Å; Y103-N186 VanDerWaalsContact CB-OD1 3.23Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.36Å; Y103-N186 PolarHBondContact N-OD1 3.01Å; F141-N186 CarbonylContact O-C 3.59Å; F141-N186 VanDerWaalsContact O-C 3.25Å; F141-N186 WeakPolarHBondContact O-CB 3.45Å; G142-N186 PolarHBondContact O-ND2 3.19Å; V182-N186 PolarHBondContact O-N 3.04Å; V182-N186 VanDerWaalsContact O-N 3.17Å; E183-N186 PolarHBondContact O-N 3.37Å; N186-T190 WeakPolarHBondContact O-CB 3.44Å; N186-T190 WeakPolarHBondContact O-CG2 3.5Å; N186-T190 PolarHBondContact O-N 2.95Å; N186-Y408 PolarHBondContact OD1-OH 2.82Å
187	S	97.4	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-74.5	-35.8	-175.9	-61.8	0	0	0	0	112.7	F141 P173 E183 P184 Y185 T190 T191	F141-S187 VanDerWaalsContact O-CA 3.31Å; F141-S187 WeakPolarHBondContact O-CA 3.48Å; F141-S187 PolarHBondContact O-N 2.83Å; F141-S187 PolarHBondContact O-OG 2.83Å; P173-S187 WeakPolarHBondContact CG-OG 3.48Å; E183-S187 WeakPolarHBondContact O-CB 3.28Å; E183-S187 PolarHBondContact O-N 2.94Å; E183-S187 PolarHBondContact O-OG 3.39Å; P184-S187 PolarHBondContact O-N 3.17Å; Y185-S187 VanDerWaalsContact C-N 3.26Å; Y185-S187 PolarHBondContact O-N 2.8Å; S187-T190 WeakPolarHBondContact O-CG2 3.24Å; S187-T191 WeakPolarHBondContact O-CB 3.48Å; S187-T191 PolarHBondContact O-N 3.37Å; S187-T191 VanDerWaalsContact O-N 3.12Å; S187-T191 PolarHBondContact O-OG1 2.62Å
188	I	97.7	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.7	-49.2	172.9	-67.5	-155.8	0	0	0	110.6	P184 Y185 T190 T191 H192 L391 D392 F395 A421 L425	P184-I188 WeakPolarHBondContact O-CG1 3.5Å; P184-I188 PolarHBondContact O-N 2.99Å; Y185-I188 PolarHBondContact O-N 2.87Å; I188-T190 PolarHBondContact O-N 3.41Å; I188-T191 PolarHBondContact O-N 2.89Å; I188-H192 WeakPolarHBondContact O-CB 3.43Å; I188-H192 PolarHBondContact O-N 3.35Å; I188-L391 HydrophobicContact CD1-CG 4.27Å; I188-L391 HydrophobicContact CG1-CD1 4.4Å; I188-L391 HydrophobicContact CG1-CD2 3.72Å; I188-L391 HydrophobicContact CG1-CG 3.75Å; I188-D392 WeakPolarHBondContact CD1-OD1 3.48Å; I188-F395 HydrophobicContact CB-CD2 4.11Å; I188-F395 HydrophobicContact CB-CE2 4.38Å; I188-F395 HydrophobicContact CD1-CB 3.45Å; I188-F395 VanDerWaalsContact CD1-CB 3.45Å; I188-F395 HydrophobicContact CD1-CD1 4.28Å; I188-F395 HydrophobicContact CD1-CD2 3.47Å; I188-F395 VanDerWaalsContact CD1-CD2 3.47Å; I188-F395 HydrophobicContact CD1-CE2 4.26Å; I188-F395 HydrophobicContact CD1-CG 3.5Å; I188-F395 VanDerWaalsContact CD1-CG 3.5Å; I188-F395 HydrophobicContact CG1-CB 4.38Å; I188-F395 HydrophobicContact CG1-CD2 3.98Å; I188-F395 HydrophobicContact CG1-CG 4.44Å; I188-F395 HydrophobicContact CG2-CD2 4.4Å; I188-F395 HydrophobicContact CG2-CE2 4.32Å; I188-A421 HydrophobicContact CG2-CB 3.73Å; I188-A421 WeakPolarHBondContact CG2-O 3.44Å; I188-L425 HydrophobicContact CD1-CD2 3.8Å; I188-L425 HydrophobicContact CG1-CD2 3.68Å
189	L	98.4	Very high	95.3	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-43.7	-178.9	-69	165.4	0	0	0	112	Y103 Y185 H192 T193 Y408 M413 F418 A421	Y103-L189 HydrophobicContact CD1-CB 3.9Å; Y103-L189 HydrophobicContact CD1-CD1 3.72Å; Y103-L189 HydrophobicContact CD1-CG 4.37Å; Y103-L189 HydrophobicContact CD2-CB 3.89Å; Y103-L189 HydrophobicContact CE1-CB 3.91Å; Y103-L189 HydrophobicContact CE1-CD1 4.34Å; Y103-L189 HydrophobicContact CE2-CB 3.9Å; Y103-L189 HydrophobicContact CG-CB 3.92Å; Y103-L189 HydrophobicContact CG-CD1 3.97Å; Y185-L189 WeakPolarHBondContact O-CB 3.03Å; Y185-L189 WeakPolarHBondContact O-CD1 3.37Å; Y185-L189 VanDerWaalsContact O-CG 3.24Å; Y185-L189 WeakPolarHBondContact O-CG 3.4Å; Y185-L189 PolarHBondContact O-N 2.91Å; L189-H192 PolarHBondContact O-N 3.45Å; L189-T193 PolarHBondContact O-N 2.77Å; L189-T193 PolarHBondContact O-OG1 2.87Å; L189-Y408 HydrophobicContact CD1-CD1 3.81Å; L189-Y408 HydrophobicContact CD1-CE1 3.74Å; L189-M413 HydrophobicContact CD1-CE 3.96Å; L189-M413 HydrophobicContact CD1-SD 3.85Å; L189-M413 HydrophobicContact CD2-CE 4.04Å; L189-M413 HydrophobicContact CD2-SD 4.2Å; L189-F418 HydrophobicContact CD1-CD1 4.41Å; L189-F418 HydrophobicContact CD1-CE1 3.99Å; L189-F418 HydrophobicContact CD2-CD1 4.49Å; L189-A421 HydrophobicContact CD2-CB 4Å
190	T	98	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-41.1	178.6	-164.4	0	0	0	0	112.2	F141 S147 S151 N186 S187 I188 H192 T193 T194	F141-T190 HydrophobicContact CB-CG2 3.84Å; F141-T190 HydrophobicContact CD1-CG2 3.62Å; F141-T190 HydrophobicContact CD2-CG2 4.28Å; F141-T190 HydrophobicContact CE1-CG2 4.22Å; F141-T190 HydrophobicContact CG-CG2 3.65Å; S147-T190 PolarHBondContact O-OG1 2.71Å; S151-T190 PolarHBondContact OG-OG1 3.07Å; S151-T190 VanDerWaalsContact OG-OG1 3.07Å; N186-T190 WeakPolarHBondContact O-CB 3.44Å; N186-T190 WeakPolarHBondContact O-CG2 3.5Å; N186-T190 PolarHBondContact O-N 2.95Å; S187-T190 WeakPolarHBondContact O-CG2 3.24Å; I188-T190 PolarHBondContact O-N 3.41Å; T190-H192 VanDerWaalsContact C-N 3.3Å; T190-H192 PolarHBondContact O-N 3.49Å; T190-T193 PolarHBondContact O-N 3.25Å; T190-T194 WeakPolarHBondContact O-CB 3.35Å; T190-T194 WeakPolarHBondContact O-CG2 3.13Å; T190-T194 PolarHBondContact O-N 2.8Å; T190-T194 PolarHBondContact O-OG1 3.48Å
191	T	97.2	Very high	96.4	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-47.2	175.6	-54.4	0	0	0	0	110.2	F141 S187 I188 L195 F267 L425 L428	F141-T191 WeakPolarHBondContact CD1-OG1 3.15Å; F141-T191 VanDerWaalsContact CE1-OG1 3.22Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.26Å; S187-T191 WeakPolarHBondContact O-CB 3.48Å; S187-T191 PolarHBondContact O-N 3.37Å; S187-T191 VanDerWaalsContact O-N 3.12Å; S187-T191 PolarHBondContact O-OG1 2.62Å; I188-T191 PolarHBondContact O-N 2.89Å; T191-L195 WeakPolarHBondContact O-CB 3.41Å; T191-L195 PolarHBondContact O-N 2.86Å; T191-L195 VanDerWaalsContact O-N 3.11Å; T191-F267 HydrophobicContact CG2-CE1 4.5Å; T191-F267 HydrophobicContact CG2-CZ 3.95Å; T191-L425 HydrophobicContact CG2-CD1 3.99Å; T191-L428 HydrophobicContact CG2-CD2 4.37Å
192	H	97.4	Very high	96.6	Very high	57 Å²	57	17.8 Å²	17.8	26%	0.264	9%	0.088	S	C	.	.	H	α-helix	trans	-58.7	-53.3	177.8	173.8	60.3	0	0	0	112.2	I188 L189 T190 T194 L195 A421 D424	I188-H192 WeakPolarHBondContact O-CB 3.43Å; I188-H192 PolarHBondContact O-N 3.35Å; L189-H192 PolarHBondContact O-N 3.45Å; T190-H192 VanDerWaalsContact C-N 3.3Å; T190-H192 PolarHBondContact O-N 3.49Å; H192-T194 PolarHBondContact O-N 3.01Å; H192-L195 PolarHBondContact O-N 3.03Å; H192-A421 HydrophobicContact CB-CB 3.5Å; H192-D424 IonicContact CE1-OD2 2.81Å; H192-D424 IonicContact CG-OD2 2.73Å; H192-D424 WeakPolarHBondContact ND1-CB 3.47Å; H192-D424 IonicContact ND1-OD2 3.81Å; H192-D424 PolarHBondContact ND1-OD2 3.31Å
193	T	96.9	Very high	96.6	Very high	21 Å²	21	17.6 Å²	17.6	13%	0.129	9%	0.087	C	C	.	.	H	α-helix	trans	-70.8	-32.9	-175.9	-56.4	0	0	0	0	113.2	Y103 E155 L189 T190 H197	Y103-T193 WeakPolarHBondContact OH-CB 3.48Å; Y103-T193 PolarHBondContact OH-OG1 3.02Å; E155-T193 HydrophobicContact CG-CG2 4.16Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.36Å; L189-T193 PolarHBondContact O-N 2.77Å; L189-T193 PolarHBondContact O-OG1 2.87Å; T190-T193 PolarHBondContact O-N 3.25Å; T193-H197 PolarHBondContact O-CD2 2.76Å; T193-H197 VanDerWaalsContact O-CD2 3.23Å
194	T	97.1	Very high	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-85.6	-11	180	64.3	0	0	0	0	113.8	M154 T190 H192 E196 H197 S198	M154-T194 HydrophobicContact CB-CG2 4.44Å; M154-T194 HydrophobicContact CG-CG2 4.38Å; T190-T194 WeakPolarHBondContact O-CB 3.35Å; T190-T194 WeakPolarHBondContact O-CG2 3.13Å; T190-T194 PolarHBondContact O-N 2.8Å; T190-T194 PolarHBondContact O-OG1 3.48Å; H192-T194 PolarHBondContact O-N 3.01Å; T194-E196 PolarHBondContact O-N 3.46Å; T194-E196 VanDerWaalsContact O-N 3.14Å; T194-H197 CarbonylContact O-C 3.42Å; T194-H197 PolarHBondContact O-N 3.14Å; T194-S198 PolarHBondContact O-N 2.88Å
195	L	95.4	Very high	96.4	Very high	9 Å²	9	17 Å²	17	5%	0.047	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.3	-173.2	-160.3	70.5	0	0	0	113.7	T191 H192 R264 H266 F267 L428	T191-L195 WeakPolarHBondContact O-CB 3.41Å; T191-L195 PolarHBondContact O-N 2.86Å; T191-L195 VanDerWaalsContact O-N 3.11Å; H192-L195 PolarHBondContact O-N 3.03Å; L195-R264 HydrophobicContact CD2-CG 4.17Å; L195-R264 VanDerWaalsContact CD2-CZ 3.47Å; L195-H266 PolarHBondContact O-CE1 3.18Å; L195-F267 HydrophobicContact CD1-CE2 3.76Å; L195-F267 HydrophobicContact CD1-CZ 3.83Å; L195-L428 HydrophobicContact CD1-CD2 4.27Å
196	E	93.6	Very high	96.2	Very high	173 Å²	173	17.8 Å²	17.8	81%	0.808	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.4	179.1	-59.8	-169.6	160.8	0	0	113.5	T194	T194-E196 PolarHBondContact O-N 3.46Å; T194-E196 VanDerWaalsContact O-N 3.14Å
197	H	96	Very high	96.1	Very high	41 Å²	41	18.8 Å²	18.8	19%	0.19	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-15.2	-172.2	-60.6	-29.9	0	0	0	113.3	M154 S158 K166 T193 T194	M154-H197 HydrophobicContact CB-CB 4.1Å; M154-H197 HydrophobicContact CE-CB 4.19Å; M154-H197 VanDerWaalsContact CE-O 3.3Å; M154-H197 WeakPolarHBondContact CE-O 3.16Å; S158-H197 WeakPolarHBondContact OG-CB 3.42Å; S158-H197 PolarHBondContact OG-ND1 3.26Å; K166-H197 WeakPolarHBondContact CD-O 3.35Å; K166-H197 WeakPolarHBondContact CE-O 3.32Å; T193-H197 PolarHBondContact O-CD2 2.76Å; T193-H197 VanDerWaalsContact O-CD2 3.23Å; T194-H197 CarbonylContact O-C 3.42Å; T194-H197 PolarHBondContact O-N 3.14Å
198	S	95.6	Very high	96	Very high	10 Å²	10	19 Å²	19	7%	0.07	9%	0.094	C	C	.	.			trans	-95.2	135.7	176.2	-165	0	0	0	0	111.5	E168 T194	E168-S198 WeakPolarHBondContact OE1-CB 3.46Å; E168-S198 PolarHBondContact OE1-OG 3.31Å; T194-S198 PolarHBondContact O-N 2.88Å
199	D	95	Very high	95.9	Very high	32 Å²	32	19 Å²	19	17%	0.171	9%	0.094	C	C	.	.	S	Bend	trans	-87.7	-28.9	171	-65.7	-73.2	0	0	0	111.6	S165 K166 L167 Q256	S165-D199 WeakPolarHBondContact CA-OD2 3.25Å; K166-D199 PolarHBondContact N-OD2 2.65Å; K166-D199 PolarHBondContact O-N 3.4Å; L167-D199 HydrophobicContact CD2-CB 4.28Å; D199-Q256 HydrophobicContact CB-CG 4.46Å; D199-Q256 PolarHBondContact OD1-NE2 2.73Å
200	C	94.9	Very high	95.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	131.8	178.5	-167.4	0	0	0	0	110.2	L167 E168 F202 P268	L167-C200 CarbonylContact C-O 3.58Å; L167-C200 WeakPolarHBondContact CA-O 3.49Å; L167-C200 HydrophobicContact CD2-CB 3.81Å; E168-C200 PolarHBondContact N-O 3.15Å; C200-F202 WeakPolarHBondContact SG-CE1 3.42Å; C200-P268 VanDerWaalsContact SG-CD 3.5Å; C200-P268 VanDerWaalsContact SG-CG 3.54Å
201	A	96.5	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.4	176.8	0	0	0	0	0	110.6	E168 M203 H266 F267 P268	E168-A201 HydrophobicContact CB-CB 3.99Å; A201-M203 HydrophobicContact CB-SD 3.94Å; A201-M203 PolarHBondContact O-N 3.41Å; A201-H266 PolarHBondContact N-O 3.14Å; A201-F267 HydrophobicContact CB-CD1 3.75Å; A201-F267 HydrophobicContact CB-CE1 3.99Å; A201-F267 WeakPolarHBondContact O-CA 3.18Å; A201-P268 WeakPolarHBondContact O-CD 3.3Å
202	F	96.4	Very high	95.7	Very high	2 Å²	2	23 Å²	23	1%	0.009	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.7	176.2	-55.3	-58	0	0	0	109.7	L167 E168 F169 A170 C200 I238 F255 L259 P268 L378	L167-F202 HydrophobicContact CB-CE2 4.15Å; L167-F202 HydrophobicContact CD1-CE2 3.94Å; L167-F202 HydrophobicContact CD1-CZ 4.27Å; E168-F202 WeakPolarHBondContact O-CD2 3.34Å; E168-F202 PolarHBondContact O-N 2.76Å; F169-F202 HydrophobicContact CD1-CB 4.25Å; F169-F202 HydrophobicContact CD1-CD2 4.06Å; F169-F202 AromaticContact CE1-CD2 3.74Å; F169-F202 HydrophobicContact CE1-CD2 3.74Å; F169-F202 HydrophobicContact CE1-CE2 4.44Å; F169-F202 HydrophobicContact CE1-CG 4.48Å; F169-F202 HydrophobicContact CE2-CD2 4.42Å; F169-F202 AromaticContact CZ-CD2 3.92Å; F169-F202 HydrophobicContact CZ-CD2 3.92Å; F169-F202 HydrophobicContact CZ-CE2 4.24Å; A170-F202 PolarHBondContact N-O 3.22Å; A170-F202 VanDerWaalsContact N-O 3.09Å; C200-F202 WeakPolarHBondContact SG-CE1 3.42Å; F202-I238 HydrophobicContact CD1-CD1 4.14Å; F202-I238 HydrophobicContact CD2-CD1 3.6Å; F202-I238 HydrophobicContact CE1-CD1 4.23Å; F202-I238 HydrophobicContact CE2-CD1 3.68Å; F202-I238 HydrophobicContact CE2-CG2 4.04Å; F202-I238 HydrophobicContact CG-CD1 3.83Å; F202-I238 HydrophobicContact CZ-CD1 4Å; F202-I238 HydrophobicContact CZ-CG2 4.3Å; F202-F255 HydrophobicContact CZ-CB 4.33Å; F202-F255 HydrophobicContact CZ-CD1 4.39Å; F202-F255 HydrophobicContact CZ-CG 4.17Å; F202-L259 HydrophobicContact CE1-CD1 4.16Å; F202-P268 HydrophobicContact CD1-CB 4.31Å; F202-P268 HydrophobicContact CD1-CG 4.47Å; F202-P268 HydrophobicContact CE1-CG 4.47Å; F202-L378 HydrophobicContact CD1-CD1 4.22Å; F202-L378 HydrophobicContact CD1-CD2 3.88Å; F202-L378 HydrophobicContact CD1-CG 4.49Å; F202-L378 HydrophobicContact CE1-CD1 3.63Å; F202-L378 HydrophobicContact CE1-CD2 4.17Å; F202-L378 HydrophobicContact CE1-CG 4.32Å; F202-L378 HydrophobicContact CG-CD2 4.5Å; F202-L378 HydrophobicContact CZ-CD1 4.04Å
203	M	95.3	Very high	95.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.9	-171.6	-54.5	-53.3	-77.4	0	0	111.5	F141 A170 Y172 A201 F267 P268 V303 W388	F141-M203 HydrophobicContact CD1-CE 4.44Å; F141-M203 HydrophobicContact CE1-CE 4.02Å; F141-M203 HydrophobicContact CE2-CE 4.28Å; F141-M203 HydrophobicContact CZ-CE 3.94Å; F141-M203 HydrophobicContact CZ-SD 4.38Å; A170-M203 HydrophobicContact CB-CE 4.39Å; A170-M203 HydrophobicContact CB-SD 3.95Å; Y172-M203 HydrophobicContact CD2-CE 3.12Å; Y172-M203 HydrophobicContact CE2-CE 3.98Å; Y172-M203 HydrophobicContact CG-CE 3.55Å; A201-M203 HydrophobicContact CB-SD 3.94Å; A201-M203 PolarHBondContact O-N 3.41Å; M203-F267 HydrophobicContact CE-CD1 4.35Å; M203-F267 HydrophobicContact CG-CB 4.02Å; M203-F267 HydrophobicContact CG-CD1 4.25Å; M203-F267 HydrophobicContact SD-CD1 3.79Å; M203-P268 PolarHBondContact N-O 3.33Å; M203-P268 VanDerWaalsContact N-O 3.1Å; M203-V303 HydrophobicContact CB-CG2 3.83Å; M203-V303 VanDerWaalsContact O-CG2 3.28Å; M203-V303 WeakPolarHBondContact O-CG2 3.1Å; M203-W388 HydrophobicContact CE-CH2 4.06Å
204	V	95.5	Very high	95.5	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.042	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.3	168.9	-61.9	0	0	0	0	111	A170 V171 Y172 I209 I231 A270 M302	A170-V204 WeakPolarHBondContact O-CG2 3.3Å; A170-V204 PolarHBondContact O-N 3.04Å; V171-V204 CarbonylContact C-O 3.51Å; V171-V204 WeakPolarHBondContact CA-O 3.34Å; V171-V204 HydrophobicContact CG2-CG2 4.09Å; Y172-V204 PolarHBondContact N-O 3.38Å; V204-I209 HydrophobicContact CB-CD1 4.02Å; V204-I209 HydrophobicContact CG2-CD1 4.45Å; V204-I231 HydrophobicContact CG2-CD1 3.98Å; V204-I231 HydrophobicContact CG2-CG1 4.37Å; V204-A270 HydrophobicContact CG1-CB 4.35Å; V204-M302 CarbonylContact C-O 3.41Å; V204-M302 WeakPolarHBondContact CA-O 3.3Å; V204-M302 HydrophobicContact CB-CB 4.43Å; V204-M302 HydrophobicContact CG1-CB 4.08Å; V204-M302 HydrophobicContact CG1-SD 4.28Å
205	D	94.5	Very high	95.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.4	-179.8	175.2	-8.3	0	0	0	108.8	A174 P175 E207 A208 I209 M302 K304	A174-D205 WeakPolarHBondContact CA-OD1 3.45Å; A174-D205 WeakPolarHBondContact CB-OD1 3.44Å; P175-D205 WeakPolarHBondContact CD-OD2 3.25Å; D205-E207 VanDerWaalsContact C-N 3.29Å; D205-E207 PolarHBondContact O-N 3Å; D205-E207 WeakPolarHBondContact OD1-CB 3.24Å; D205-E207 PolarHBondContact OD1-N 2.84Å; D205-A208 HydrophobicContact CB-CB 4.15Å; D205-A208 PolarHBondContact O-N 3.02Å; D205-I209 WeakPolarHBondContact O-CG1 3.43Å; D205-I209 PolarHBondContact O-N 3.23Å; D205-I209 VanDerWaalsContact O-N 3.08Å; D205-M302 PolarHBondContact N-O 3.47Å; D205-K304 WeakPolarHBondContact OD2-CB 3.3Å; D205-K304 WeakPolarHBondContact OD2-CG 3.46Å; D205-K304 PolarHBondContact OD2-N 3.17Å
206	N	93.9	Very high	95.4	Very high	16 Å²	16	31.1 Å²	31.1	9%	0.086	14%	0.141	C	C	.	.	H	α-helix	trans	-55.4	-42.3	177.2	-72.2	-33.9	0	0	0	112.5	I209 Y210 L227	N206-I209 PolarHBondContact O-N 3.46Å; N206-Y210 HydrophobicContact CB-CD2 4.29Å; N206-Y210 HydrophobicContact CB-CE2 4.13Å; N206-Y210 WeakPolarHBondContact O-CB 3.21Å; N206-Y210 WeakPolarHBondContact O-CD2 3.41Å; N206-Y210 PolarHBondContact O-N 3.22Å; N206-L227 HydrophobicContact CB-CD2 4.04Å
207	E	94.9	Very high	95.3	Very high	20 Å²	20	23.5 Å²	23.5	9%	0.093	11%	0.106	C	C	.	.	H	α-helix	trans	-64.3	-43.1	-178.9	-173.1	-172.4	141.3	0	0	111.9	A174 P175 Q176 I177 D205 I209 Y210 D211 K304	A174-E207 HydrophobicContact CB-CB 3.68Å; P175-E207 VanDerWaalsContact CD-OE2 3.28Å; P175-E207 WeakPolarHBondContact CD-OE2 3.43Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.35Å; Q176-E207 PolarHBondContact N-OE2 3.04Å; I177-E207 HydrophobicContact CD1-CB 3.89Å; I177-E207 HydrophobicContact CD1-CG 4.06Å; I177-E207 HydrophobicContact CG1-CB 4.2Å; I177-E207 HydrophobicContact CG1-CG 4.3Å; D205-E207 VanDerWaalsContact C-N 3.29Å; D205-E207 PolarHBondContact O-N 3Å; D205-E207 WeakPolarHBondContact OD1-CB 3.24Å; D205-E207 PolarHBondContact OD1-N 2.84Å; E207-I209 VanDerWaalsContact C-N 3.35Å; E207-I209 PolarHBondContact O-N 2.83Å; E207-Y210 PolarHBondContact O-N 2.85Å; E207-D211 PolarHBondContact O-N 3.18Å; E207-D211 VanDerWaalsContact O-N 3.13Å; E207-K304 HydrophobicContact CB-CG 4.35Å; E207-K304 HydrophobicContact CG-CG 4.41Å; E207-K304 VanDerWaalsContact OE1-CE 3.26Å; E207-K304 WeakPolarHBondContact OE1-CE 3.22Å; E207-K304 IonicContact OE1-NZ 2.95Å
208	A	95.7	Very high	95.1	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.033	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-44.6	175	0	0	0	0	0	111.4	D205 D211 I212 M302 K304	D205-A208 HydrophobicContact CB-CB 4.15Å; D205-A208 PolarHBondContact O-N 3.02Å; A208-D211 PolarHBondContact O-N 3.33Å; A208-I212 WeakPolarHBondContact O-CG1 3.37Å; A208-I212 PolarHBondContact O-N 2.75Å; A208-M302 VanDerWaalsContact CB-C 3.46Å; A208-M302 WeakPolarHBondContact CB-O 3.43Å; A208-K304 HydrophobicContact CB-CD 4.32Å; A208-K304 HydrophobicContact CB-CG 4.21Å
209	I	96.3	Very high	94.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.1	-38.2	179.6	-59.6	165	0	0	0	111.6	V204 D205 N206 E207 D211 I212 C213 L227 L230 I231 M302	V204-I209 HydrophobicContact CB-CD1 4.02Å; V204-I209 HydrophobicContact CG2-CD1 4.45Å; D205-I209 WeakPolarHBondContact O-CG1 3.43Å; D205-I209 PolarHBondContact O-N 3.23Å; D205-I209 VanDerWaalsContact O-N 3.08Å; N206-I209 PolarHBondContact O-N 3.46Å; E207-I209 VanDerWaalsContact C-N 3.35Å; E207-I209 PolarHBondContact O-N 2.83Å; I209-D211 VanDerWaalsContact C-N 3.28Å; I209-D211 PolarHBondContact O-N 2.95Å; I209-I212 PolarHBondContact O-N 3.23Å; I209-C213 PolarHBondContact O-N 3.39Å; I209-C213 PolarHBondContact O-SG 3.23Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; I209-L227 HydrophobicContact CB-CG 3.94Å; I209-L227 HydrophobicContact CG2-CB 4.01Å; I209-L227 HydrophobicContact CG2-CD1 4Å; I209-L227 HydrophobicContact CG2-CG 3.55Å; I209-L230 HydrophobicContact CG2-CB 4.42Å; I209-L230 HydrophobicContact CG2-CD2 3.81Å; I209-I231 HydrophobicContact CD1-CD1 3.87Å; I209-I231 HydrophobicContact CD1-CG1 3.78Å; I209-M302 HydrophobicContact CG1-CB 4.26Å; I209-M302 HydrophobicContact CG1-CG 4.36Å
210	Y	95.8	Very high	94.8	Very high	29 Å²	29	32.3 Å²	32.3	11%	0.114	15%	0.148	C	C	.	.	H	α-helix	trans	-55.1	-45.2	172.9	-85.9	-61.2	0	0	0	111.4	I177 N206 E207 C213 R214 P222 L227	I177-Y210 HydrophobicContact CD1-CD2 3.57Å; I177-Y210 HydrophobicContact CD1-CE2 4.03Å; I177-Y210 HydrophobicContact CD1-CG 4.46Å; N206-Y210 HydrophobicContact CB-CD2 4.29Å; N206-Y210 HydrophobicContact CB-CE2 4.13Å; N206-Y210 WeakPolarHBondContact O-CB 3.21Å; N206-Y210 WeakPolarHBondContact O-CD2 3.41Å; N206-Y210 PolarHBondContact O-N 3.22Å; E207-Y210 PolarHBondContact O-N 2.85Å; Y210-C213 PolarHBondContact O-N 2.81Å; Y210-R214 WeakPolarHBondContact O-CG 3.49Å; Y210-R214 PolarHBondContact O-N 2.66Å; Y210-P222 HydrophobicContact CD1-CB 3.72Å; Y210-P222 HydrophobicContact CD1-CG 3.94Å; Y210-P222 HydrophobicContact CE1-CB 4.01Å; Y210-P222 WeakPolarHBondContact CE1-O 3.46Å; Y210-L227 HydrophobicContact CD1-CD1 3.7Å; Y210-L227 HydrophobicContact CD1-CD2 4.4Å; Y210-L227 HydrophobicContact CD2-CD2 3.95Å; Y210-L227 HydrophobicContact CE1-CD1 3.67Å; Y210-L227 HydrophobicContact CE1-CD2 4.05Å; Y210-L227 HydrophobicContact CE2-CD2 3.58Å; Y210-L227 HydrophobicContact CG-CD1 4.13Å; Y210-L227 HydrophobicContact CG-CD2 4.31Å
211	D	96.1	Very high	94.7	Very high	59 Å²	59	41.5 Å²	41.5	32%	0.316	18%	0.183	S	C	.	.	H	α-helix	trans	-68.1	-38.1	179.2	-75.5	-12.6	0	0	0	112.6	E207 A208 I209 R215 K304	E207-D211 PolarHBondContact O-N 3.18Å; E207-D211 VanDerWaalsContact O-N 3.13Å; A208-D211 PolarHBondContact O-N 3.33Å; I209-D211 VanDerWaalsContact C-N 3.28Å; I209-D211 PolarHBondContact O-N 2.95Å; D211-R215 VanDerWaalsContact O-CB 3.23Å; D211-R215 WeakPolarHBondContact O-CB 3.25Å; D211-R215 PolarHBondContact O-N 2.98Å; D211-K304 IonicContact OD2-NZ 3.72Å; D211-K304 PolarHBondContact OD2-NZ 2.75Å
212	I	96.5	Very high	94.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-48.7	172.6	-69.5	166.5	0	0	0	110.1	A208 I209 R214 R215 N216 L230 V275 A299 N300 M302	A208-I212 WeakPolarHBondContact O-CG1 3.37Å; A208-I212 PolarHBondContact O-N 2.75Å; I209-I212 PolarHBondContact O-N 3.23Å; I212-R214 PolarHBondContact O-N 3.41Å; I212-R215 PolarHBondContact O-N 2.99Å; I212-N216 VanDerWaalsContact O-CB 3.27Å; I212-N216 WeakPolarHBondContact O-CB 3.26Å; I212-N216 PolarHBondContact O-N 2.69Å; I212-L230 HydrophobicContact CG2-CD2 3.91Å; I212-V275 HydrophobicContact CG2-CB 4.18Å; I212-V275 HydrophobicContact CG2-CG1 3.8Å; I212-V275 HydrophobicContact CG2-CG2 4.15Å; I212-A299 WeakPolarHBondContact CG1-O 3.25Å; I212-N300 WeakPolarHBondContact CD1-O 3.4Å; I212-M302 HydrophobicContact CD1-CG 4.18Å
213	C	95.8	Very high	94.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-44.8	179	-70.8	0	0	0	0	112	I209 Y210 L217 D218 P222	I209-C213 PolarHBondContact O-N 3.39Å; I209-C213 PolarHBondContact O-SG 3.23Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; Y210-C213 PolarHBondContact O-N 2.81Å; C213-L217 HydrophobicContact CB-CD1 4.44Å; C213-L217 CarbonylContact O-C 3.49Å; C213-L217 WeakPolarHBondContact O-CA 3.45Å; C213-L217 VanDerWaalsContact O-CB 3.25Å; C213-L217 WeakPolarHBondContact O-CB 3.41Å; C213-L217 PolarHBondContact O-N 3.22Å; C213-D218 PolarHBondContact O-N 2.78Å; C213-P222 HydrophobicContact CB-CB 3.77Å; C213-P222 HydrophobicContact CB-CG 3.62Å
214	R	95.6	Very high	94.5	Very high	125 Å²	125	49 Å²	49	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-47.1	178.3	-78.9	175.3	177.2	158	6.5	112.5	Y210 I212 D218 I219 E220 P222	Y210-R214 WeakPolarHBondContact O-CG 3.49Å; Y210-R214 PolarHBondContact O-N 2.66Å; I212-R214 PolarHBondContact O-N 3.41Å; R214-D218 PolarHBondContact O-N 3.49Å; R214-I219 WeakPolarHBondContact CA-O 3.41Å; R214-I219 VanDerWaalsContact CG-O 3.22Å; R214-I219 WeakPolarHBondContact CG-O 3.45Å; R214-E220 PolarHBondContact NE-O 2.95Å; R214-P222 HydrophobicContact CG-CG 3.76Å
215	R	94.6	Very high	94.5	Very high	104 Å²	104	52.3 Å²	52.3	39%	0.392	24%	0.241	S	C	.	.	H	α-helix	trans	-77.2	-43.3	-173.2	179.6	172.1	39.7	86.6	6.3	112.8	D211 I212 A299 N300	D211-R215 VanDerWaalsContact O-CB 3.23Å; D211-R215 WeakPolarHBondContact O-CB 3.25Å; D211-R215 PolarHBondContact O-N 2.98Å; I212-R215 PolarHBondContact O-N 2.99Å; R215-A299 PolarHBondContact NH2-O 2.82Å; R215-N300 PolarHBondContact NH1-OD1 3.21Å
216	N	94	Very high	94.5	Very high	29 Å²	29	53.1 Å²	53.1	16%	0.155	25%	0.246	C	C	.	.	H	α-helix	trans	-98	-29.5	-169.8	-65.2	-3.6	0	0	0	112.9	I212 V275	I212-N216 VanDerWaalsContact O-CB 3.27Å; I212-N216 WeakPolarHBondContact O-CB 3.26Å; I212-N216 PolarHBondContact O-N 2.69Å; N216-V275 HydrophobicContact CB-CB 4.29Å; N216-V275 HydrophobicContact CB-CG1 4.02Å; N216-V275 WeakPolarHBondContact CB-O 3.37Å
217	L	93.5	Very high	94.6	Very high	13 Å²	13	52.3 Å²	52.3	7%	0.068	24%	0.242	C	C	.	.	S	Bend	trans	-103.2	-0.4	-179.3	-51.9	179.8	0	0	0	113.5	C213 I219 V275 D367 L368	C213-L217 HydrophobicContact CB-CD1 4.44Å; C213-L217 CarbonylContact O-C 3.49Å; C213-L217 WeakPolarHBondContact O-CA 3.45Å; C213-L217 VanDerWaalsContact O-CB 3.25Å; C213-L217 WeakPolarHBondContact O-CB 3.41Å; C213-L217 PolarHBondContact O-N 3.22Å; L217-I219 HydrophobicContact CB-CD1 3.78Å; L217-I219 HydrophobicContact CB-CG1 3.79Å; L217-I219 HydrophobicContact CD1-CD1 4.07Å; L217-I219 PolarHBondContact O-N 3.41Å; L217-V275 HydrophobicContact CD1-CG1 4.25Å; L217-V275 HydrophobicContact CD2-CG1 3.68Å; L217-V275 HydrophobicContact CG-CG1 3.9Å; L217-D367 HydrophobicContact CD1-CB 4.26Å; L217-L368 HydrophobicContact CD1-CD2 4.26Å; L217-L368 HydrophobicContact CD2-CD2 3.9Å
218	D	90.4	Very high	94.6	Very high	90 Å²	90	51.9 Å²	51.9	48%	0.481	24%	0.24	S	C	.	.			trans	57	27.2	-177.9	-51.4	-62.2	0	0	0	114	C213 R214 E220 K280	C213-D218 PolarHBondContact O-N 2.78Å; R214-D218 PolarHBondContact O-N 3.49Å; D218-E220 PolarHBondContact O-N 2.91Å; D218-K280 IonicContact OD1-NZ 2.68Å; D218-K280 PolarHBondContact OD1-NZ 2.84Å; D218-K280 WeakPolarHBondContact OD2-CE 3.29Å; D218-K280 IonicContact OD2-NZ 2.71Å; D218-K280 PolarHBondContact OD2-NZ 2.97Å
219	I	92.1	Very high	94.6	Very high	29 Å²	29	54.6 Å²	54.6	15%	0.149	25%	0.249	C	C	.	.			trans	-89.8	103.5	179.4	-52.4	173.3	0	0	0	108.6	R214 L217 R221 P222 N226 D367	R214-I219 WeakPolarHBondContact CA-O 3.41Å; R214-I219 VanDerWaalsContact CG-O 3.22Å; R214-I219 WeakPolarHBondContact CG-O 3.45Å; L217-I219 HydrophobicContact CB-CD1 3.78Å; L217-I219 HydrophobicContact CB-CG1 3.79Å; L217-I219 HydrophobicContact CD1-CD1 4.07Å; L217-I219 PolarHBondContact O-N 3.41Å; I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.1Å; I219-P222 HydrophobicContact CB-CG 4.2Å; I219-P222 HydrophobicContact CG2-CB 4.15Å; I219-P222 HydrophobicContact CG2-CG 4.1Å; I219-P222 VanDerWaalsContact O-CD 3.32Å; I219-P222 WeakPolarHBondContact O-CD 3.37Å; I219-P222 WeakPolarHBondContact O-CG 3.4Å; I219-N226 HydrophobicContact CD1-CB 4.24Å; I219-D367 HydrophobicContact CD1-CB 3.84Å
220	E	92.3	Very high	94.6	Very high	148 Å²	148	54.7 Å²	54.7	69%	0.692	25%	0.25	S	C	*	.	S	Bend	trans	-56.2	-43.4	-178.9	-171.6	-171.2	-162.3	0	0	112.5	R214 D218	R214-E220 PolarHBondContact NE-O 2.95Å; D218-E220 PolarHBondContact O-N 2.91Å
221	R	93.6	Very high	94.7	Very high	194 Å²	194	53.5 Å²	53.5	73%	0.732	25%	0.245	S	C	*	.	S	Bend	trans	-126.1	81.3	179.4	-74.4	-178.5	-94.6	-159.5	-8.5	110.3	I219	I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.1Å
222	P	94.7	Very high	94.7	Very high	12 Å²	12	50.7 Å²	50.7	8%	0.078	23%	0.231	C	C	.	.			trans	-62.9	159.7	175	-11.7	25.6	0	0	0	110.3	Y210 C213 R214 I219 N226 L227	Y210-P222 HydrophobicContact CD1-CB 3.72Å; Y210-P222 HydrophobicContact CD1-CG 3.94Å; Y210-P222 HydrophobicContact CE1-CB 4.01Å; Y210-P222 WeakPolarHBondContact CE1-O 3.46Å; C213-P222 HydrophobicContact CB-CB 3.77Å; C213-P222 HydrophobicContact CB-CG 3.62Å; R214-P222 HydrophobicContact CG-CG 3.76Å; I219-P222 HydrophobicContact CB-CG 4.2Å; I219-P222 HydrophobicContact CG2-CB 4.15Å; I219-P222 HydrophobicContact CG2-CG 4.1Å; I219-P222 VanDerWaalsContact O-CD 3.32Å; I219-P222 WeakPolarHBondContact O-CD 3.37Å; I219-P222 WeakPolarHBondContact O-CG 3.4Å; P222-N226 HydrophobicContact CB-CB 4.33Å; P222-L227 HydrophobicContact CB-CD1 4.14Å
223	T	94.7	Very high	94.7	Very high	68 Å²	68	51 Å²	51	42%	0.417	23%	0.232	S	C	.	.			trans	-126.7	168.2	178.8	64.8	0	0	0	0	109.5	T225 N226 L227	T223-T225 PolarHBondContact O-N 2.9Å; T223-T225 VanDerWaalsContact O-N 3.1Å; T223-T225 PolarHBondContact OG1-N 3.14Å; T223-N226 PolarHBondContact N-OD1 3.28Å; T223-N226 WeakPolarHBondContact O-CB 3.45Å; T223-N226 PolarHBondContact O-N 2.76Å; T223-N226 PolarHBondContact OG1-OD1 3.42Å; T223-L227 WeakPolarHBondContact O-CD1 3.47Å; T223-L227 PolarHBondContact O-N 2.9Å; T223-L227 VanDerWaalsContact O-N 3.14Å
224	Y	94.1	Very high	94.7	Very high	78 Å²	78	51 Å²	51	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-55.6	-28.3	174.4	-70.5	-62.3	0	0	0	113.2	N226 L227 N228	Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 2.71Å; Y224-L227 HydrophobicContact CD1-CD2 4.05Å; Y224-L227 HydrophobicContact CE1-CD2 4.35Å; Y224-L227 PolarHBondContact O-N 3.12Å; Y224-N228 VanDerWaalsContact O-CB 3.23Å; Y224-N228 WeakPolarHBondContact O-CB 3.21Å; Y224-N228 PolarHBondContact O-N 2.68Å; Y224-N228 PolarHBondContact O-ND2 2.84Å
225	T	94.8	Very high	94.7	Very high	77 Å²	77	45.1 Å²	45.1	47%	0.472	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-42.3	172.2	-55	0	0	0	0	112	T223 R229	T223-T225 PolarHBondContact O-N 2.9Å; T223-T225 VanDerWaalsContact O-N 3.1Å; T223-T225 PolarHBondContact OG1-N 3.14Å; T225-R229 WeakPolarHBondContact O-CB 3.47Å; T225-R229 VanDerWaalsContact O-CG 3.26Å; T225-R229 WeakPolarHBondContact O-CG 3.33Å; T225-R229 PolarHBondContact O-N 3.41Å; T225-R229 VanDerWaalsContact O-N 3.14Å
226	N	95	Very high	94.8	Very high	18 Å²	18	40.1 Å²	40.1	10%	0.096	19%	0.191	C	C	.	.	H	α-helix	trans	-69.2	-44.1	178.5	-49.5	110.6	0	0	0	110.8	I219 P222 T223 Y224 R229 L230 D367	I219-N226 HydrophobicContact CD1-CB 4.24Å; P222-N226 HydrophobicContact CB-CB 4.33Å; T223-N226 PolarHBondContact N-OD1 3.28Å; T223-N226 WeakPolarHBondContact O-CB 3.45Å; T223-N226 PolarHBondContact O-N 2.76Å; T223-N226 PolarHBondContact OG1-OD1 3.42Å; Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 2.71Å; N226-R229 PolarHBondContact O-N 3.1Å; N226-L230 PolarHBondContact O-N 2.79Å; N226-D367 VanDerWaalsContact ND2-CG 3.32Å; N226-D367 PolarHBondContact ND2-OD1 2.86Å; N226-D367 PolarHBondContact ND2-OD2 3.3Å
227	L	95.7	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-52.4	177.5	-85.8	53.3	0	0	0	111.2	N206 I209 Y210 P222 T223 Y224 R229 L230 I231	N206-L227 HydrophobicContact CB-CD2 4.04Å; I209-L227 HydrophobicContact CB-CG 3.94Å; I209-L227 HydrophobicContact CG2-CB 4.01Å; I209-L227 HydrophobicContact CG2-CD1 4Å; I209-L227 HydrophobicContact CG2-CG 3.55Å; Y210-L227 HydrophobicContact CD1-CD1 3.7Å; Y210-L227 HydrophobicContact CD1-CD2 4.4Å; Y210-L227 HydrophobicContact CD2-CD2 3.95Å; Y210-L227 HydrophobicContact CE1-CD1 3.67Å; Y210-L227 HydrophobicContact CE1-CD2 4.05Å; Y210-L227 HydrophobicContact CE2-CD2 3.58Å; Y210-L227 HydrophobicContact CG-CD1 4.13Å; Y210-L227 HydrophobicContact CG-CD2 4.31Å; P222-L227 HydrophobicContact CB-CD1 4.14Å; T223-L227 WeakPolarHBondContact O-CD1 3.47Å; T223-L227 PolarHBondContact O-N 2.9Å; T223-L227 VanDerWaalsContact O-N 3.14Å; Y224-L227 HydrophobicContact CD1-CD2 4.05Å; Y224-L227 HydrophobicContact CE1-CD2 4.35Å; Y224-L227 PolarHBondContact O-N 3.12Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.42Å; L227-L230 WeakPolarHBondContact O-CB 3.17Å; L227-L230 PolarHBondContact O-N 3.23Å; L227-I231 WeakPolarHBondContact O-CG1 3.49Å; L227-I231 PolarHBondContact O-N 3.32Å
228	N	96.4	Very high	94.8	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.059	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-29.9	-177.1	-67.3	-19.5	0	0	0	112.5	Q15 A19 Y224 L230 I231 G232	Q15-N228 WeakPolarHBondContact CB-ND2 2.96Å; A19-N228 HydrophobicContact CB-CB 3.81Å; Y224-N228 VanDerWaalsContact O-CB 3.23Å; Y224-N228 WeakPolarHBondContact O-CB 3.21Å; Y224-N228 PolarHBondContact O-N 2.68Å; Y224-N228 PolarHBondContact O-ND2 2.84Å; N228-L230 VanDerWaalsContact C-N 3.35Å; N228-I231 PolarHBondContact O-N 3.11Å; N228-G232 PolarHBondContact O-N 3.39Å
229	R	95.6	Very high	94.9	Very high	61 Å²	61	34 Å²	34	23%	0.23	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-37.6	171.4	-79.9	174.9	175.5	156.7	0.3	112.4	T225 N226 L227 G232 Q233 D367	T225-R229 WeakPolarHBondContact O-CB 3.47Å; T225-R229 VanDerWaalsContact O-CG 3.26Å; T225-R229 WeakPolarHBondContact O-CG 3.33Å; T225-R229 PolarHBondContact O-N 3.41Å; T225-R229 VanDerWaalsContact O-N 3.14Å; N226-R229 PolarHBondContact O-N 3.1Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.42Å; R229-G232 PolarHBondContact O-N 3.29Å; R229-Q233 PolarHBondContact O-N 3.09Å; R229-D367 IonicContact NH1-OD2 3.48Å
230	L	96	Very high	94.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-70.5	-42.5	175.7	-173.7	62.1	0	0	0	111.3	I209 I212 N226 L227 N228 G232 Q233 I234 Y272 V275 M302	I209-L230 HydrophobicContact CG2-CB 4.42Å; I209-L230 HydrophobicContact CG2-CD2 3.81Å; I212-L230 HydrophobicContact CG2-CD2 3.91Å; N226-L230 PolarHBondContact O-N 2.79Å; L227-L230 WeakPolarHBondContact O-CB 3.17Å; L227-L230 PolarHBondContact O-N 3.23Å; N228-L230 VanDerWaalsContact C-N 3.35Å; L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 3.14Å; L230-Q233 WeakPolarHBondContact O-CB 3.41Å; L230-Q233 PolarHBondContact O-N 3.01Å; L230-Q233 VanDerWaalsContact O-N 3.08Å; L230-I234 PolarHBondContact O-N 2.76Å; L230-Y272 HydrophobicContact CD1-CD1 4.23Å; L230-V275 HydrophobicContact CD1-CG1 4.32Å; L230-V275 HydrophobicContact CD1-CG2 3.71Å; L230-V275 HydrophobicContact CD2-CG2 4.46Å; L230-M302 HydrophobicContact CD1-CE 4.07Å; L230-M302 HydrophobicContact CD2-CE 3.65Å; L230-M302 HydrophobicContact CG-CE 3.6Å
231	I	96.8	Very high	94.7	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-42.4	172.1	-64.1	168.3	0	0	0	109.9	M16 V204 I209 L227 N228 Q233 I234 V235	M16-I231 HydrophobicContact CG-CD1 4.2Å; M16-I231 HydrophobicContact CG-CG2 4.39Å; M16-I231 HydrophobicContact SD-CD1 3.95Å; M16-I231 HydrophobicContact SD-CG2 3.97Å; V204-I231 HydrophobicContact CG2-CD1 3.98Å; V204-I231 HydrophobicContact CG2-CG1 4.37Å; I209-I231 HydrophobicContact CD1-CD1 3.87Å; I209-I231 HydrophobicContact CD1-CG1 3.78Å; L227-I231 WeakPolarHBondContact O-CG1 3.49Å; L227-I231 PolarHBondContact O-N 3.32Å; N228-I231 PolarHBondContact O-N 3.11Å; I231-Q233 PolarHBondContact O-N 3.14Å; I231-I234 WeakPolarHBondContact O-CA 3.34Å; I231-I234 WeakPolarHBondContact O-CB 3.44Å; I231-I234 PolarHBondContact O-N 2.82Å; I231-V235 HydrophobicContact CG2-CG2 3.92Å; I231-V235 VanDerWaalsContact O-CG2 3.23Å; I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 2.92Å
232	G	96.7	Very high	94.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-54.7	-36	175	0	0	0	0	0	113.5	L23 N228 R229 L230 S236	L23-G232 WeakPolarHBondContact CD2-O 3.46Å; N228-G232 PolarHBondContact O-N 3.39Å; R229-G232 PolarHBondContact O-N 3.29Å; L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 3.14Å; G232-S236 VanDerWaalsContact O-CB 3.26Å; G232-S236 WeakPolarHBondContact O-CB 3.31Å; G232-S236 PolarHBondContact O-N 2.97Å
233	Q	96.8	Very high	94.2	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.033	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-39.2	174.5	-65.3	-60.4	-31.9	0	0	112.9	R229 L230 I231 S237 Y272 T361 L368	R229-Q233 PolarHBondContact O-N 3.09Å; L230-Q233 WeakPolarHBondContact O-CB 3.41Å; L230-Q233 PolarHBondContact O-N 3.01Å; L230-Q233 VanDerWaalsContact O-N 3.08Å; I231-Q233 PolarHBondContact O-N 3.14Å; Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 2.93Å; Q233-S237 PolarHBondContact O-OG 3.14Å; Q233-Y272 HydrophobicContact CB-CD1 4.46Å; Q233-Y272 HydrophobicContact CB-CD2 4.17Å; Q233-Y272 HydrophobicContact CB-CE1 4.11Å; Q233-Y272 HydrophobicContact CB-CE2 3.79Å; Q233-Y272 HydrophobicContact CB-CG 4.47Å; Q233-Y272 HydrophobicContact CG-CE1 4.4Å; Q233-Y272 PolarHBondContact OE1-OH 3.34Å; Q233-T361 PolarHBondContact NE2-O 2.92Å; Q233-L368 HydrophobicContact CG-CD1 3.71Å
234	I	95.8	Very high	93.9	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-56.5	172.4	-65.5	-68.1	0	0	0	109	L230 I231 S236 S237 I238 A270 Y272 M302 C376	L230-I234 PolarHBondContact O-N 2.76Å; I231-I234 WeakPolarHBondContact O-CA 3.34Å; I231-I234 WeakPolarHBondContact O-CB 3.44Å; I231-I234 PolarHBondContact O-N 2.82Å; I234-S236 VanDerWaalsContact C-N 3.3Å; I234-S236 PolarHBondContact O-N 3.31Å; I234-S237 CarbonylContact O-C 3.59Å; I234-S237 WeakPolarHBondContact O-CA 3.38Å; I234-S237 WeakPolarHBondContact O-CB 3.41Å; I234-S237 PolarHBondContact O-N 3.13Å; I234-I238 HydrophobicContact CG2-CD1 3.94Å; I234-I238 HydrophobicContact CG2-CG1 4.23Å; I234-I238 WeakPolarHBondContact O-CG1 3.5Å; I234-I238 PolarHBondContact O-N 2.87Å; I234-A270 HydrophobicContact CD1-CB 4.13Å; I234-A270 HydrophobicContact CG1-CB 4.42Å; I234-A270 HydrophobicContact CG2-CB 4.03Å; I234-Y272 HydrophobicContact CD1-CD2 4.09Å; I234-Y272 HydrophobicContact CD1-CG 4.32Å; I234-M302 HydrophobicContact CD1-CE 3.72Å; I234-M302 HydrophobicContact CD1-SD 3.97Å; I234-M302 HydrophobicContact CG1-CE 3.67Å; I234-M302 HydrophobicContact CG1-SD 3.63Å; I234-C376 HydrophobicContact CD1-CB 4.37Å; I234-C376 WeakPolarHBondContact CD1-SG 3.48Å
235	V	96	Very high	93.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.1	-43.1	-176.2	-175.2	0	0	0	0	110.6	Y24 F138 F169 I231 S237 I238 T239	Y24-V235 VanDerWaalsContact OH-CG1 3.22Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.22Å; F138-V235 HydrophobicContact CE1-CB 4.42Å; F138-V235 HydrophobicContact CE1-CG1 3.72Å; F138-V235 HydrophobicContact CE1-CG2 3.77Å; F138-V235 HydrophobicContact CZ-CG1 3.62Å; F169-V235 HydrophobicContact CD1-CG2 3.59Å; F169-V235 HydrophobicContact CE1-CB 4.04Å; F169-V235 HydrophobicContact CE1-CG1 4.05Å; F169-V235 HydrophobicContact CE1-CG2 3.57Å; F169-V235 HydrophobicContact CE2-CG1 4.18Å; F169-V235 HydrophobicContact CG-CG2 4.18Å; F169-V235 HydrophobicContact CZ-CB 4.31Å; F169-V235 HydrophobicContact CZ-CG1 3.83Å; F169-V235 HydrophobicContact CZ-CG2 4.21Å; I231-V235 HydrophobicContact CG2-CG2 3.92Å; I231-V235 VanDerWaalsContact O-CG2 3.23Å; I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 2.92Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 2.81Å; V235-I238 PolarHBondContact O-N 3.22Å; V235-T239 HydrophobicContact CG1-CG2 4.49Å; V235-T239 WeakPolarHBondContact O-CB 3.28Å; V235-T239 WeakPolarHBondContact O-CG2 3.47Å; V235-T239 PolarHBondContact O-N 2.96Å; V235-T239 PolarHBondContact O-OG1 2.84Å
236	S	95.2	Very high	92.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.7	-39.4	174	172.9	0	0	0	0	112.3	E27 G232 I234 T239 A240 R243 R320	E27-S236 VanDerWaalsContact CD-OG 3.23Å; E27-S236 PolarHBondContact OE1-OG 3.46Å; E27-S236 PolarHBondContact OE2-OG 2.9Å; E27-S236 VanDerWaalsContact OE2-OG 3.07Å; G232-S236 VanDerWaalsContact O-CB 3.26Å; G232-S236 WeakPolarHBondContact O-CB 3.31Å; G232-S236 PolarHBondContact O-N 2.97Å; I234-S236 VanDerWaalsContact C-N 3.3Å; I234-S236 PolarHBondContact O-N 3.31Å; S236-T239 PolarHBondContact O-N 2.83Å; S236-T239 PolarHBondContact O-OG1 3.15Å; S236-A240 WeakPolarHBondContact O-CA 3.46Å; S236-A240 WeakPolarHBondContact O-CB 3.44Å; S236-A240 PolarHBondContact O-N 3.22Å; S236-R243 PolarHBondContact O-NH2 2.86Å; S236-R243 PolarHBondContact OG-NH2 2.81Å; S236-R243 VanDerWaalsContact OG-NH2 3.11Å; S236-R320 PolarHBondContact O-NH1 2.82Å; S236-R320 VanDerWaalsContact O-NH1 3.1Å; S236-R320 PolarHBondContact OG-NH1 2.81Å
237	S	94.9	Very high	91.6	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.028	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-41.8	178.3	-57.5	0	0	0	0	112.5	Q233 I234 V235 T239 A240	Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 2.93Å; Q233-S237 PolarHBondContact O-OG 3.14Å; I234-S237 CarbonylContact O-C 3.59Å; I234-S237 WeakPolarHBondContact O-CA 3.38Å; I234-S237 WeakPolarHBondContact O-CB 3.41Å; I234-S237 PolarHBondContact O-N 3.13Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 2.81Å; S237-T239 VanDerWaalsContact C-N 3.31Å; S237-T239 PolarHBondContact O-N 2.73Å; S237-A240 WeakPolarHBondContact O-CB 3.33Å; S237-A240 PolarHBondContact O-N 2.8Å
238	I	93.3	Very high	90.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-42	175.2	-60	-168.3	0	0	0	110.8	F169 F202 I234 V235 F255 L318 L378	F169-I238 HydrophobicContact CE1-CD1 3.59Å; F169-I238 HydrophobicContact CE1-CG1 4.45Å; F169-I238 HydrophobicContact CZ-CB 4.34Å; F169-I238 HydrophobicContact CZ-CD1 4.01Å; F169-I238 HydrophobicContact CZ-CG2 4.26Å; F202-I238 HydrophobicContact CD1-CD1 4.14Å; F202-I238 HydrophobicContact CD2-CD1 3.6Å; F202-I238 HydrophobicContact CE1-CD1 4.23Å; F202-I238 HydrophobicContact CE2-CD1 3.68Å; F202-I238 HydrophobicContact CE2-CG2 4.04Å; F202-I238 HydrophobicContact CG-CD1 3.83Å; F202-I238 HydrophobicContact CZ-CD1 4Å; F202-I238 HydrophobicContact CZ-CG2 4.3Å; I234-I238 HydrophobicContact CG2-CD1 3.94Å; I234-I238 HydrophobicContact CG2-CG1 4.23Å; I234-I238 WeakPolarHBondContact O-CG1 3.5Å; I234-I238 PolarHBondContact O-N 2.87Å; V235-I238 PolarHBondContact O-N 3.22Å; I238-F255 HydrophobicContact CG2-CD2 4.35Å; I238-F255 HydrophobicContact CG2-CE1 4.39Å; I238-F255 HydrophobicContact CG2-CE2 3.6Å; I238-F255 HydrophobicContact CG2-CZ 3.63Å; I238-L318 HydrophobicContact CB-CD1 4.42Å; I238-L318 HydrophobicContact CG1-CD1 4.09Å; I238-L378 HydrophobicContact CD1-CD1 3.75Å; I238-L378 HydrophobicContact CD1-CD2 3.5Å; I238-L378 HydrophobicContact CD1-CG 4.19Å; I238-L378 HydrophobicContact CG1-CD1 3.94Å; I238-L378 HydrophobicContact CG1-CD2 4.1Å; I238-L378 HydrophobicContact CG1-CG 4.45Å
239	T	92.8	Very high	89.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-90	-4	-175	60.5	0	0	0	0	114.3	Y24 F52 L136 V235 S236 S237 S241 L242 R243	Y24-T239 PolarHBondContact OH-OG1 2.85Å; F52-T239 HydrophobicContact CE2-CG2 3.87Å; F52-T239 HydrophobicContact CZ-CG2 3.56Å; L136-T239 HydrophobicContact CD1-CG2 3.77Å; V235-T239 HydrophobicContact CG1-CG2 4.49Å; V235-T239 WeakPolarHBondContact O-CB 3.28Å; V235-T239 WeakPolarHBondContact O-CG2 3.47Å; V235-T239 PolarHBondContact O-N 2.96Å; V235-T239 PolarHBondContact O-OG1 2.84Å; S236-T239 PolarHBondContact O-N 2.83Å; S236-T239 PolarHBondContact O-OG1 3.15Å; S237-T239 VanDerWaalsContact C-N 3.31Å; S237-T239 PolarHBondContact O-N 2.73Å; T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact O-N 3.25Å; T239-L242 WeakPolarHBondContact O-CB 3.49Å; T239-L242 PolarHBondContact O-N 3.11Å; T239-L242 VanDerWaalsContact O-N 3.14Å; T239-R243 PolarHBondContact O-NE 2.93Å; T239-R243 PolarHBondContact OG1-NE 3.16Å; T239-R243 PolarHBondContact OG1-NH2 3.34Å
240	A	92.3	Very high	88.5	Confident	2 Å²	2	19.3 Å²	19.3	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-59.1	-42.4	-174.9	0	0	0	0	0	112.3	S236 S237 L242 R243 F244 R320 N356	S236-A240 WeakPolarHBondContact O-CA 3.46Å; S236-A240 WeakPolarHBondContact O-CB 3.44Å; S236-A240 PolarHBondContact O-N 3.22Å; S237-A240 WeakPolarHBondContact O-CB 3.33Å; S237-A240 PolarHBondContact O-N 2.8Å; A240-L242 PolarHBondContact O-N 2.97Å; A240-R243 CarbonylContact O-C 3.59Å; A240-R243 PolarHBondContact O-N 2.76Å; A240-F244 HydrophobicContact CB-CD2 4.48Å; A240-F244 PolarHBondContact O-N 2.95Å; A240-R320 VanDerWaalsContact CB-NH1 3.3Å; A240-N356 HydrophobicContact CB-CB 4.21Å; A240-N356 PolarHBondContact O-ND2 2.87Å
241	S	88.7	Confident	87.8	Confident	12 Å²	12	21.2 Å²	21.2	8%	0.084	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-15.4	-179.1	51.8	0	0	0	0	114.2	T239 N249 V250	T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact O-N 3.25Å; S241-N249 PolarHBondContact O-ND2 3.26Å; S241-V250 VanDerWaalsContact CB-O 3.24Å; S241-V250 WeakPolarHBondContact CB-O 3.47Å; S241-V250 PolarHBondContact OG-O 3.28Å
242	L	87.8	Confident	87.1	Confident	11 Å²	11	21.1 Å²	21.1	6%	0.058	12%	0.122	C	C	.	.	H	α-helix	trans	-90.2	-16.1	174.5	-52.4	175.5	0	0	0	112.3	T51 T239 A240 L252	T51-L242 HydrophobicContact CG2-CB 3.93Å; T51-L242 PolarHBondContact OG1-O 3.27Å; T239-L242 WeakPolarHBondContact O-CB 3.49Å; T239-L242 PolarHBondContact O-N 3.11Å; T239-L242 VanDerWaalsContact O-N 3.14Å; A240-L242 PolarHBondContact O-N 2.97Å; L242-L252 HydrophobicContact CD1-CD1 4.35Å; L242-L252 HydrophobicContact CD1-CD2 3.65Å; L242-L252 HydrophobicContact CD1-CG 3.79Å; L242-L252 HydrophobicContact CD2-CG 4.49Å
243	R	89.4	Confident	86.6	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-124.2	-11	-169.6	-64.4	-173.3	-67.2	125.8	-1.6	114.4	E27 H28 S48 T51 F52 S236 T239 A240	E27-R243 IonicContact OE2-CZ 3.45Å; E27-R243 IonicContact OE2-NH1 2.94Å; E27-R243 PolarHBondContact OE2-NH1 3.33Å; E27-R243 IonicContact OE2-NH2 3.21Å; E27-R243 PolarHBondContact OE2-NH2 2.89Å; H28-R243 PolarHBondContact NE2-NH1 3.49Å; H28-R243 VanDerWaalsContact NE2-NH1 3.13Å; S48-R243 WeakPolarHBondContact CB-O 3.34Å; S48-R243 PolarHBondContact OG-O 2.8Å; T51-R243 HydrophobicContact CG2-CG 4.08Å; F52-R243 VanDerWaalsContact CD2-CD 3.42Å; F52-R243 HydrophobicContact CD2-CG 4.15Å; F52-R243 HydrophobicContact CE2-CG 3.97Å; F52-R243 HydrophobicContact CZ-CG 4.4Å; S236-R243 PolarHBondContact O-NH2 2.86Å; S236-R243 PolarHBondContact OG-NH2 2.81Å; S236-R243 VanDerWaalsContact OG-NH2 3.11Å; T239-R243 PolarHBondContact O-NE 2.93Å; T239-R243 PolarHBondContact OG1-NE 3.16Å; T239-R243 PolarHBondContact OG1-NH2 3.34Å; A240-R243 CarbonylContact O-C 3.59Å; A240-R243 PolarHBondContact O-N 2.76Å
244	F	88	Confident	86.1	Confident	20 Å²	20	26.3 Å²	26.3	9%	0.088	15%	0.151	C	C	.	.	S	Bend	trans	-145.5	147.6	-177.8	-59.7	-60.7	0	0	0	108.9	E27 H28 A240 N249 N356 Q358	E27-F244 HydrophobicContact CB-CE2 4.45Å; E27-F244 HydrophobicContact CB-CZ 3.92Å; H28-F244 AromaticContact CE1-CE1 3.42Å; H28-F244 VanDerWaalsContact CE1-CE1 3.42Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.48Å; H28-F244 AromaticContact CE1-CZ 3.46Å; H28-F244 VanDerWaalsContact CE1-CZ 3.46Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.41Å; H28-F244 AromaticContact ND1-CE1 3.76Å; H28-F244 AromaticContact ND1-CZ 3.98Å; H28-F244 AromaticContact NE2-CZ 3.77Å; A240-F244 HydrophobicContact CB-CD2 4.48Å; A240-F244 PolarHBondContact O-N 2.95Å; F244-N249 PolarHBondContact O-ND2 3.1Å; F244-N356 VanDerWaalsContact CB-ND2 3.34Å; F244-N356 WeakPolarHBondContact CB-ND2 3.47Å; F244-N356 WeakPolarHBondContact CB-OD1 3.28Å; F244-N356 PolarHBondContact O-ND2 3.16Å; F244-Q358 HydrophobicContact CB-CB 4.49Å; F244-Q358 HydrophobicContact CD2-CB 4.29Å; F244-Q358 HydrophobicContact CD2-CG 4.45Å; F244-Q358 HydrophobicContact CE2-CG 4.45Å; F244-Q358 HydrophobicContact CG-CB 4.22Å
245	D	80.9	Confident	85.7	Confident	137 Å²	137	26.3 Å²	26.3	73%	0.733	15%	0.15	S	C	*	.			trans	-64.6	145.2	173.4	-73	-28.2	0	0	0	111.2	N356	D245-N356 PolarHBondContact O-ND2 2.88Å
246	G	79.5	Confident	85.3	Confident	23 Å²	23	29.3 Å²	29.3	24%	0.237	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	168.6	-177.1	0	0	0	0	0	111.6	N249 I355	G246-N249 WeakPolarHBondContact CA-OD1 3.23Å; G246-N249 PolarHBondContact N-ND2 3.39Å; G246-I355 CarbonylContact C-O 3.45Å; G246-I355 WeakPolarHBondContact CA-O 3.45Å
247	A	75.8	Confident	85.1	Confident	25 Å²	25	34 Å²	34	21%	0.207	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.1	167.2	0	0	0	0	0	109.1	N249 I355	A247-N249 VanDerWaalsContact C-N 3.3Å; A247-N249 PolarHBondContact O-N 3.48Å; A247-I355 PolarHBondContact N-O 3.45Å; A247-I355 PolarHBondContact O-N 3.02Å
248	L	74.8	Confident	84.8	Confident	109 Å²	109	36.3 Å²	36.3	57%	0.571	21%	0.205	S	C	*	.	S	Bend	trans	59.7	39.1	178	-49.2	167.2	0	0	0	112.6	V250 V353 G354	L248-V250 PolarHBondContact O-N 3.36Å; L248-V353 VanDerWaalsContact CB-O 3.25Å; L248-V353 WeakPolarHBondContact CB-O 3.44Å; L248-V353 HydrophobicContact CD1-CB 4.36Å; L248-V353 HydrophobicContact CD1-CG1 4.23Å; L248-G354 WeakPolarHBondContact O-CA 3.49Å
249	N	72.2	Confident	84.7	Confident	45 Å²	45	36.4 Å²	36.4	24%	0.241	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-57.2	125.6	178.1	-84.8	-5.5	0	0	0	110.9	S241 F244 G246 A247	S241-N249 PolarHBondContact O-ND2 3.26Å; F244-N249 PolarHBondContact O-ND2 3.1Å; G246-N249 WeakPolarHBondContact CA-OD1 3.23Å; G246-N249 PolarHBondContact N-ND2 3.39Å; A247-N249 VanDerWaalsContact C-N 3.3Å; A247-N249 PolarHBondContact O-N 3.48Å
250	V	75.8	Confident	84.7	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-89.7	130.4	178.5	-175.7	0	0	0	0	108.7	S241 L248 E254 F255 L318	S241-V250 VanDerWaalsContact CB-O 3.24Å; S241-V250 WeakPolarHBondContact CB-O 3.47Å; S241-V250 PolarHBondContact OG-O 3.28Å; L248-V250 PolarHBondContact O-N 3.36Å; V250-E254 HydrophobicContact CG1-CB 3.59Å; V250-F255 HydrophobicContact CB-CZ 4.35Å; V250-F255 HydrophobicContact CG1-CD1 4.17Å; V250-F255 HydrophobicContact CG1-CD2 4.44Å; V250-F255 HydrophobicContact CG1-CE1 3.89Å; V250-F255 HydrophobicContact CG1-CE2 4.18Å; V250-F255 HydrophobicContact CG1-CG 4.43Å; V250-F255 HydrophobicContact CG1-CZ 3.89Å; V250-L318 HydrophobicContact CG2-CD2 4.2Å
251	D	80.4	Confident	84.7	Confident	42 Å²	42	39.5 Å²	39.5	23%	0.225	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-88.1	173	170.2	73.5	27.9	0	0	0	112.7	T253 E254	D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.21Å; D251-T253 PolarHBondContact OD1-N 2.79Å; D251-E254 WeakPolarHBondContact O-CB 3.37Å; D251-E254 PolarHBondContact O-N 3.41Å; D251-E254 WeakPolarHBondContact OD1-CB 3.23Å; D251-E254 WeakPolarHBondContact OD1-CG 3.27Å; D251-E254 PolarHBondContact OD1-N 2.68Å
252	L	83.1	Confident	84.9	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-38.5	-178.8	-68.8	-179.2	0	0	0	112.8	C4 Q133 L136 L167 L242 E254 F255	C4-L252 VanDerWaalsContact SG-CD1 3.53Å; Q133-L252 HydrophobicContact CB-CD1 3.93Å; L136-L252 HydrophobicContact CD2-CD2 4.01Å; L167-L252 HydrophobicContact CD1-CB 4.41Å; L167-L252 HydrophobicContact CD1-CD2 3.4Å; L167-L252 VanDerWaalsContact CD1-CD2 3.4Å; L167-L252 HydrophobicContact CD1-CG 4.43Å; L167-L252 HydrophobicContact CG-CD2 4.31Å; L242-L252 HydrophobicContact CD1-CD1 4.35Å; L242-L252 HydrophobicContact CD1-CD2 3.65Å; L242-L252 HydrophobicContact CD1-CG 3.79Å; L242-L252 HydrophobicContact CD2-CG 4.49Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.48Å; L252-F255 PolarHBondContact O-N 2.92Å
253	T	84.6	Confident	85.1	Confident	69 Å²	69	49.7 Å²	49.7	42%	0.423	28%	0.276	S	S	.	.	H	α-helix	trans	-69.3	-30.8	179.6	-53.2	0	0	0	0	111.3	D251 F255 Q256 T257	D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.21Å; D251-T253 PolarHBondContact OD1-N 2.79Å; T253-F255 VanDerWaalsContact C-N 3.26Å; T253-F255 PolarHBondContact O-N 3.04Å; T253-Q256 WeakPolarHBondContact O-CB 3Å; T253-Q256 PolarHBondContact O-N 3.5Å; T253-T257 HydrophobicContact CG2-CG2 4.48Å; T253-T257 PolarHBondContact O-N 3.27Å
254	E	87	Confident	85.3	Confident	48 Å²	48	53 Å²	53	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-25.9	175.2	-82.1	-170.7	-118.4	0	0	112.9	V250 D251 L252 T257 N258 K352	V250-E254 HydrophobicContact CG1-CB 3.59Å; D251-E254 WeakPolarHBondContact O-CB 3.37Å; D251-E254 PolarHBondContact O-N 3.41Å; D251-E254 WeakPolarHBondContact OD1-CB 3.23Å; D251-E254 WeakPolarHBondContact OD1-CG 3.27Å; D251-E254 PolarHBondContact OD1-N 2.68Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.48Å; E254-T257 WeakPolarHBondContact CA-OG1 3.37Å; E254-T257 PolarHBondContact O-OG1 3.2Å; E254-N258 WeakPolarHBondContact O-CB 3.24Å; E254-N258 PolarHBondContact O-N 3.29Å; E254-N258 PolarHBondContact O-ND2 3.15Å; E254-K352 WeakPolarHBondContact OE2-CE 3.48Å; E254-K352 IonicContact OE2-NZ 3.19Å; E254-K352 PolarHBondContact OE2-NZ 3.34Å
255	F	87.9	Confident	85.7	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-44.8	171.8	-71.2	-62.2	0	0	0	111.1	L167 F202 I238 V250 L252 T253 L259 L318 L378	L167-F255 HydrophobicContact CD1-CD2 4.01Å; F202-F255 HydrophobicContact CZ-CB 4.33Å; F202-F255 HydrophobicContact CZ-CD1 4.39Å; F202-F255 HydrophobicContact CZ-CG 4.17Å; I238-F255 HydrophobicContact CG2-CD2 4.35Å; I238-F255 HydrophobicContact CG2-CE1 4.39Å; I238-F255 HydrophobicContact CG2-CE2 3.6Å; I238-F255 HydrophobicContact CG2-CZ 3.63Å; V250-F255 HydrophobicContact CB-CZ 4.35Å; V250-F255 HydrophobicContact CG1-CD1 4.17Å; V250-F255 HydrophobicContact CG1-CD2 4.44Å; V250-F255 HydrophobicContact CG1-CE1 3.89Å; V250-F255 HydrophobicContact CG1-CE2 4.18Å; V250-F255 HydrophobicContact CG1-CG 4.43Å; V250-F255 HydrophobicContact CG1-CZ 3.89Å; L252-F255 PolarHBondContact O-N 2.92Å; T253-F255 VanDerWaalsContact C-N 3.26Å; T253-F255 PolarHBondContact O-N 3.04Å; F255-L259 HydrophobicContact CB-CD1 4.4Å; F255-L259 HydrophobicContact CD1-CD1 3.92Å; F255-L259 WeakPolarHBondContact O-CB 3.48Å; F255-L259 PolarHBondContact O-N 3.02Å; F255-L318 HydrophobicContact CE1-CD1 4.07Å; F255-L318 HydrophobicContact CE1-CD2 4.35Å; F255-L318 HydrophobicContact CZ-CD1 4.11Å; F255-L318 HydrophobicContact CZ-CD2 4.49Å; F255-L378 HydrophobicContact CD1-CD1 3.82Å; F255-L378 HydrophobicContact CE1-CD1 3.54Å; F255-L378 HydrophobicContact CZ-CD1 4.39Å
256	Q	88	Confident	86.4	Confident	64 Å²	64	45.7 Å²	45.7	30%	0.299	25%	0.25	S	S	.	.	H	α-helix	trans	-59.9	-54.8	174.8	-176.8	-179.2	32	0	0	110.6	D199 T253 N258 V260	D199-Q256 HydrophobicContact CB-CG 4.46Å; D199-Q256 PolarHBondContact OD1-NE2 2.73Å; T253-Q256 WeakPolarHBondContact O-CB 3Å; T253-Q256 PolarHBondContact O-N 3.5Å; Q256-N258 VanDerWaalsContact C-N 3.31Å; Q256-N258 PolarHBondContact O-N 3.06Å; Q256-V260 WeakPolarHBondContact O-CA 3.26Å; Q256-V260 WeakPolarHBondContact O-CB 3.25Å; Q256-V260 PolarHBondContact O-N 2.98Å
257	T	89	Confident	87.2	Confident	97 Å²	97	44.6 Å²	44.6	60%	0.595	24%	0.239	S	C	*	.	H	α-helix	trans	-67.4	-28.2	-174.2	61.3	0	0	0	0	114.2	T253 E254	T253-T257 HydrophobicContact CG2-CG2 4.48Å; T253-T257 PolarHBondContact O-N 3.27Å; E254-T257 WeakPolarHBondContact CA-OG1 3.37Å; E254-T257 PolarHBondContact O-OG1 3.2Å
258	N	89.3	Confident	88.2	Confident	54 Å²	54	43.4 Å²	43.4	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	-95.2	-27.5	-178.2	-62.8	-55.7	0	0	0	113.6	E254 Q256 A314 K352	E254-N258 WeakPolarHBondContact O-CB 3.24Å; E254-N258 PolarHBondContact O-N 3.29Å; E254-N258 PolarHBondContact O-ND2 3.15Å; Q256-N258 VanDerWaalsContact C-N 3.31Å; Q256-N258 PolarHBondContact O-N 3.06Å; N258-A314 WeakPolarHBondContact O-CB 3.44Å; N258-K352 HydrophobicContact CB-CB 4.38Å; N258-K352 HydrophobicContact CB-CG 4.42Å
259	L	92	Very high	89.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-103.8	-23.1	-176.8	-65.1	169.8	0	0	0	113.6	F202 F255 P261 P268 A314 C316 L378 N380	F202-L259 HydrophobicContact CE1-CD1 4.16Å; F255-L259 HydrophobicContact CB-CD1 4.4Å; F255-L259 HydrophobicContact CD1-CD1 3.92Å; F255-L259 WeakPolarHBondContact O-CB 3.48Å; F255-L259 PolarHBondContact O-N 3.02Å; L259-P261 VanDerWaalsContact O-CD 3.29Å; L259-P261 WeakPolarHBondContact O-CD 3.27Å; L259-P268 HydrophobicContact CB-CG 4.05Å; L259-P268 HydrophobicContact CD1-CB 4.44Å; L259-P268 HydrophobicContact CD1-CG 4.05Å; L259-A314 HydrophobicContact CD2-CB 4.13Å; L259-C316 HydrophobicContact CD1-CB 4.3Å; L259-C316 HydrophobicContact CD2-CB 3.81Å; L259-C316 HydrophobicContact CG-CB 4.26Å; L259-L378 HydrophobicContact CD1-CB 3.8Å; L259-L378 HydrophobicContact CD1-CD1 4.09Å; L259-L378 HydrophobicContact CD2-CB 4.42Å; L259-L378 WeakPolarHBondContact CD2-O 3.43Å; L259-N380 VanDerWaalsContact O-CB 3.24Å; L259-N380 WeakPolarHBondContact O-CB 3.35Å; L259-N380 PolarHBondContact O-ND2 3.41Å
260	V	93.2	Very high	90.3	Very high	19 Å²	19	36 Å²	36	12%	0.115	19%	0.191	C	C	.	.			trans	-110.6	97.8	-169.4	-176.3	0	0	0	0	109.7	Q256 Y262 H266	Q256-V260 WeakPolarHBondContact O-CA 3.26Å; Q256-V260 WeakPolarHBondContact O-CB 3.25Å; Q256-V260 PolarHBondContact O-N 2.98Å; V260-Y262 WeakPolarHBondContact CG1-O 3.24Å; V260-H266 HydrophobicContact CB-CB 4.46Å; V260-H266 HydrophobicContact CG1-CB 3.75Å; V260-H266 HydrophobicContact CG2-CB 3.82Å
261	P	91.5	Very high	91.3	Very high	48 Å²	48	36 Å²	36	31%	0.312	19%	0.19	S	C	.	.	S	Bend	trans	-71.4	-34.6	-179.9	27.9	-33.6	0	0	0	112.5	L259 I265 M313 W346	L259-P261 VanDerWaalsContact O-CD 3.29Å; L259-P261 WeakPolarHBondContact O-CD 3.27Å; P261-I265 HydrophobicContact CG-CB 4.49Å; P261-I265 HydrophobicContact CG-CG2 4.19Å; P261-M313 HydrophobicContact CG-SD 3.95Å; P261-W346 HydrophobicContact CB-CH2 3.75Å; P261-W346 HydrophobicContact CB-CZ3 4.21Å; P261-W346 HydrophobicContact CG-CH2 4.16Å
262	Y	92.5	Very high	92.1	Very high	126 Å²	126	34.4 Å²	34.4	49%	0.494	18%	0.181	S	C	.	.	S	Bend	trans	-133.3	143	177.1	-60.2	-79.1	0	0	0	109	V260 R264 I265 V435	V260-Y262 WeakPolarHBondContact CG1-O 3.24Å; Y262-R264 PolarHBondContact O-N 3.39Å; Y262-I265 HydrophobicContact CD2-CD1 3.97Å; Y262-I265 PolarHBondContact O-N 3.4Å; Y262-V435 HydrophobicContact CD2-CG2 3.98Å; Y262-V435 HydrophobicContact CE2-CG2 3.66Å
263	P	92.1	Very high	92.8	Very high	111 Å²	111	34.4 Å²	34.4	72%	0.721	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.6	-175.4	-30.2	35.9	0	0	0	114.8	H266	P263-H266 PolarHBondContact O-ND1 2.83Å
264	R	94.4	Very high	93.3	Very high	72 Å²	72	31.9 Å²	31.9	27%	0.272	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.9	178.4	-66.7	174.6	61.4	88	2.8	113.6	L195 Y262 H266 D424 L428 D431	L195-R264 HydrophobicContact CD2-CG 4.17Å; L195-R264 VanDerWaalsContact CD2-CZ 3.47Å; Y262-R264 PolarHBondContact O-N 3.39Å; R264-H266 VanDerWaalsContact C-N 3.33Å; R264-H266 PolarHBondContact O-N 3.33Å; R264-H266 VanDerWaalsContact O-N 3.16Å; R264-D424 IonicContact CZ-OD1 3.59Å; R264-D424 IonicContact NH1-OD1 3.42Å; R264-D424 PolarHBondContact NH1-OD1 3.35Å; R264-D424 PolarHBondContact NH2-O 2.89Å; R264-D424 IonicContact NH2-OD1 3.37Å; R264-D424 PolarHBondContact NH2-OD1 2.84Å; R264-L428 HydrophobicContact CB-CD1 4.09Å; R264-L428 VanDerWaalsContact O-CD1 3.22Å; R264-L428 WeakPolarHBondContact O-CD1 3.2Å; R264-D431 IonicContact CZ-OD2 2.8Å; R264-D431 IonicContact NE-OD2 3.72Å; R264-D431 PolarHBondContact NE-OD2 3.03Å; R264-D431 IonicContact NH2-OD2 2.87Å
265	I	95.3	Very high	93.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.16	C	C	.	.			trans	-93.6	64.7	-176.6	-58.4	-177.5	0	0	0	109.3	P261 Y262 M313 N380 D431 Y432 V435	P261-I265 HydrophobicContact CG-CB 4.49Å; P261-I265 HydrophobicContact CG-CG2 4.19Å; Y262-I265 HydrophobicContact CD2-CD1 3.97Å; Y262-I265 PolarHBondContact O-N 3.4Å; I265-M313 HydrophobicContact CG2-CE 3.69Å; I265-M313 HydrophobicContact CG2-SD 3.92Å; I265-N380 PolarHBondContact O-ND2 3.42Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.24Å; I265-Y432 HydrophobicContact CB-CE1 4.27Å; I265-Y432 HydrophobicContact CG2-CD1 3.88Å; I265-Y432 HydrophobicContact CG2-CE1 3.24Å; I265-Y432 HydrophobicContact CG2-CE2 4.45Å; I265-V435 HydrophobicContact CD1-CB 4.19Å; I265-V435 HydrophobicContact CD1-CG2 3.62Å
266	H	96	Very high	94	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.			trans	-118.4	28.2	-172.6	65.9	-105.5	0	0	0	114.4	L195 A201 V260 P263 R264 P268	L195-H266 PolarHBondContact O-CE1 3.18Å; A201-H266 PolarHBondContact N-O 3.14Å; V260-H266 HydrophobicContact CB-CB 4.46Å; V260-H266 HydrophobicContact CG1-CB 3.75Å; V260-H266 HydrophobicContact CG2-CB 3.82Å; P263-H266 PolarHBondContact O-ND1 2.83Å; R264-H266 VanDerWaalsContact C-N 3.33Å; R264-H266 PolarHBondContact O-N 3.33Å; R264-H266 VanDerWaalsContact O-N 3.16Å; H266-P268 WeakPolarHBondContact O-CD 3.47Å
267	F	97	Very high	94.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.			trans	-110.4	65.8	-177	-58.1	-86.8	0	0	0	114	F141 T191 L195 A201 M203 W388 L428 Y432	F141-F267 HydrophobicContact CE1-CE1 4.44Å; F141-F267 HydrophobicContact CZ-CE1 4.22Å; T191-F267 HydrophobicContact CG2-CE1 4.5Å; T191-F267 HydrophobicContact CG2-CZ 3.95Å; L195-F267 HydrophobicContact CD1-CE2 3.76Å; L195-F267 HydrophobicContact CD1-CZ 3.83Å; A201-F267 HydrophobicContact CB-CD1 3.75Å; A201-F267 HydrophobicContact CB-CE1 3.99Å; A201-F267 WeakPolarHBondContact O-CA 3.18Å; M203-F267 HydrophobicContact CE-CD1 4.35Å; M203-F267 HydrophobicContact CG-CB 4.02Å; M203-F267 HydrophobicContact CG-CD1 4.25Å; M203-F267 HydrophobicContact SD-CD1 3.79Å; F267-W388 HydrophobicContact CB-CH2 4.5Å; F267-W388 HydrophobicContact CB-CZ2 3.85Å; F267-W388 AromaticContact CD1-CH2 3.84Å; F267-W388 HydrophobicContact CD1-CH2 3.84Å; F267-W388 AromaticContact CD1-CZ2 3.94Å; F267-W388 HydrophobicContact CD1-CZ2 3.94Å; F267-W388 HydrophobicContact CD2-CH2 4.49Å; F267-W388 AromaticContact CD2-CZ2 3.91Å; F267-W388 HydrophobicContact CD2-CZ2 3.91Å; F267-W388 HydrophobicContact CE1-CH2 4.15Å; F267-W388 HydrophobicContact CE1-CZ2 4.48Å; F267-W388 HydrophobicContact CE2-CZ2 4.46Å; F267-W388 HydrophobicContact CG-CH2 4.03Å; F267-W388 AromaticContact CG-CZ2 3.62Å; F267-W388 HydrophobicContact CG-CZ2 3.62Å; F267-L428 HydrophobicContact CD2-CD2 4.22Å; F267-L428 HydrophobicContact CE2-CD2 3.65Å; F267-L428 HydrophobicContact CZ-CD2 4.38Å; F267-Y432 HydrophobicContact CD2-CE2 4.49Å; F267-Y432 PolarHBondContact N-OH 2.91Å
268	P	96.2	Very high	93.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-61.5	143.6	176.2	-23	33.3	0	0	0	113.7	C200 A201 F202 M203 L259 H266 S379 N380	C200-P268 VanDerWaalsContact SG-CD 3.5Å; C200-P268 VanDerWaalsContact SG-CG 3.54Å; A201-P268 WeakPolarHBondContact O-CD 3.3Å; F202-P268 HydrophobicContact CD1-CB 4.31Å; F202-P268 HydrophobicContact CD1-CG 4.47Å; F202-P268 HydrophobicContact CE1-CG 4.47Å; M203-P268 PolarHBondContact N-O 3.33Å; M203-P268 VanDerWaalsContact N-O 3.1Å; L259-P268 HydrophobicContact CB-CG 4.05Å; L259-P268 HydrophobicContact CD1-CB 4.44Å; L259-P268 HydrophobicContact CD1-CG 4.05Å; H266-P268 WeakPolarHBondContact O-CD 3.47Å; P268-S379 WeakPolarHBondContact CA-O 3.45Å; P268-N380 HydrophobicContact CG-CB 4.45Å
269	L	95.4	Very high	93.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	140.8	169.3	-51.3	-174.7	0	0	0	110.4	V303 C305 L378 S379 T381 I384	L269-V303 HydrophobicContact CD2-CB 3.92Å; L269-V303 HydrophobicContact CD2-CG1 4.26Å; L269-V303 HydrophobicContact CD2-CG2 3.92Å; L269-C305 WeakPolarHBondContact CD1-SG 3.18Å; L269-L378 CarbonylContact O-C 3.55Å; L269-L378 WeakPolarHBondContact O-CA 3.49Å; L269-S379 PolarHBondContact N-O 3.01Å; L269-S379 PolarHBondContact O-N 2.89Å; L269-T381 HydrophobicContact CD1-CG2 3.35Å; L269-T381 HydrophobicContact CG-CG2 3.82Å; L269-I384 HydrophobicContact CD2-CB 4.37Å; L269-I384 HydrophobicContact CD2-CD1 3.54Å; L269-I384 HydrophobicContact CD2-CG1 4.34Å
270	A	95.7	Very high	93.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.5	172.1	0	0	0	0	0	111.8	V204 I234 M302 M377 L378	V204-A270 HydrophobicContact CG1-CB 4.35Å; I234-A270 HydrophobicContact CD1-CB 4.13Å; I234-A270 HydrophobicContact CG1-CB 4.42Å; I234-A270 HydrophobicContact CG2-CB 4.03Å; A270-M302 HydrophobicContact CB-SD 4.45Å; A270-M302 VanDerWaalsContact O-CB 3.28Å; A270-M302 WeakPolarHBondContact O-CB 3.4Å; A270-M302 WeakPolarHBondContact O-CG 3.45Å; A270-M302 PolarHBondContact O-N 2.78Å; A270-M377 CarbonylContact C-O 3.52Å; A270-M377 WeakPolarHBondContact CA-O 3.32Å; A270-L378 HydrophobicContact CB-CD2 4.25Å
271	T	97.3	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.9	169	-62.3	0	0	0	0	110	C295 N300 Q301 C376 M377	T271-C295 HydrophobicContact CG2-CB 4.08Å; T271-C295 WeakPolarHBondContact CG2-O 3.09Å; T271-N300 HydrophobicContact CG2-CB 3.99Å; T271-N300 WeakPolarHBondContact CG2-O 3.31Å; T271-Q301 VanDerWaalsContact OG1-CD 3.22Å; T271-Q301 PolarHBondContact OG1-NE2 2.78Å; T271-Q301 PolarHBondContact OG1-OE1 3.25Å; T271-C376 CarbonylContact O-C 3.56Å; T271-C376 WeakPolarHBondContact O-CA 3.38Å; T271-M377 PolarHBondContact N-O 3.22Å; T271-M377 PolarHBondContact O-N 3.33Å
272	Y	97.4	Very high	92.2	Very high	8 Å²	8	41.7 Å²	41.7	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.5	177.1	-166.3	-102.3	0	0	0	111.1	L230 Q233 I234 P274 V275 P360 A374 C376	L230-Y272 HydrophobicContact CD1-CD1 4.23Å; Q233-Y272 HydrophobicContact CB-CD1 4.46Å; Q233-Y272 HydrophobicContact CB-CD2 4.17Å; Q233-Y272 HydrophobicContact CB-CE1 4.11Å; Q233-Y272 HydrophobicContact CB-CE2 3.79Å; Q233-Y272 HydrophobicContact CB-CG 4.47Å; Q233-Y272 HydrophobicContact CG-CE1 4.4Å; Q233-Y272 PolarHBondContact OE1-OH 3.34Å; I234-Y272 HydrophobicContact CD1-CD2 4.09Å; I234-Y272 HydrophobicContact CD1-CG 4.32Å; Y272-P274 WeakPolarHBondContact CE1-O 3.08Å; Y272-V275 HydrophobicContact CD1-CG2 4Å; Y272-P360 WeakPolarHBondContact OH-CB 3.43Å; Y272-P360 WeakPolarHBondContact OH-CG 3.23Å; Y272-A374 HydrophobicContact CE1-CB 4.2Å; Y272-A374 HydrophobicContact CE2-CB 4.15Å; Y272-A374 VanDerWaalsContact OH-CB 3.3Å; Y272-A374 WeakPolarHBondContact OH-CB 3.34Å; Y272-C376 HydrophobicContact CD2-CB 4.13Å
273	A	97.3	Very high	91.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142.9	172	0	0	0	0	0	112	I291 A294 A374 V375	A273-I291 HydrophobicContact CB-CB 4.25Å; A273-I291 WeakPolarHBondContact CB-O 3.4Å; A273-A294 HydrophobicContact CB-CB 3.82Å; A273-A374 CarbonylContact O-C 3.57Å; A273-A374 VanDerWaalsContact O-CA 3.25Å; A273-A374 WeakPolarHBondContact O-CA 3.26Å; A273-A374 WeakPolarHBondContact O-CB 3.45Å; A273-V375 HydrophobicContact CB-CG1 4.18Å; A273-V375 PolarHBondContact N-O 2.77Å; A273-V375 PolarHBondContact O-N 2.78Å
274	P	95.9	Very high	91.1	Very high	16 Å²	16	43.3 Å²	43.3	10%	0.104	21%	0.208	C	C	.	.			cis	-79.4	148.7	-5.3	33.9	-33.1	0	0	0	111.2	Y272 I276 L286 I291 V371	Y272-P274 WeakPolarHBondContact CE1-O 3.08Å; P274-I276 HydrophobicContact CB-CG2 4.28Å; P274-I276 HydrophobicContact CG-CG2 4.34Å; P274-L286 HydrophobicContact CB-CD1 4.46Å; P274-L286 HydrophobicContact CB-CD2 3.8Å; P274-L286 HydrophobicContact CG-CD1 3.78Å; P274-L286 HydrophobicContact CG-CD2 3.97Å; P274-L286 HydrophobicContact CG-CG 4.39Å; P274-I291 HydrophobicContact CB-CG2 4.45Å; P274-I291 HydrophobicContact CG-CG2 4.36Å; P274-V371 HydrophobicContact CG-CG1 4.03Å
275	V	95.1	Very high	90.3	Very high	16 Å²	16	47.7 Å²	47.7	10%	0.097	23%	0.231	C	C	.	.			trans	-104.7	106.1	161.2	-179.3	0	0	0	0	105.6	I212 N216 L217 L230 Y272 L368	I212-V275 HydrophobicContact CG2-CB 4.18Å; I212-V275 HydrophobicContact CG2-CG1 3.8Å; I212-V275 HydrophobicContact CG2-CG2 4.15Å; N216-V275 HydrophobicContact CB-CB 4.29Å; N216-V275 HydrophobicContact CB-CG1 4.02Å; N216-V275 WeakPolarHBondContact CB-O 3.37Å; L217-V275 HydrophobicContact CD1-CG1 4.25Å; L217-V275 HydrophobicContact CD2-CG1 3.68Å; L217-V275 HydrophobicContact CG-CG1 3.9Å; L230-V275 HydrophobicContact CD1-CG1 4.32Å; L230-V275 HydrophobicContact CD1-CG2 3.71Å; L230-V275 HydrophobicContact CD2-CG2 4.46Å; Y272-V275 HydrophobicContact CD1-CG2 4Å; V275-L368 HydrophobicContact CG1-CD2 4.15Å
276	I	93.3	Very high	90	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	24%	0.239	C	C	.	.			trans	-142.3	139.3	-172.1	-170.3	165.9	0	0	0	110.7	P274 K280 A281 E284 A369 V371	P274-I276 HydrophobicContact CB-CG2 4.28Å; P274-I276 HydrophobicContact CG-CG2 4.34Å; I276-K280 HydrophobicContact CD1-CB 3.99Å; I276-K280 HydrophobicContact CG1-CB 3.7Å; I276-A281 HydrophobicContact CD1-CB 4.42Å; I276-E284 HydrophobicContact CD1-CB 4.05Å; I276-E284 HydrophobicContact CD1-CG 3.99Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.18Å; I276-A369 HydrophobicContact CG2-CB 3.95Å; I276-A369 PolarHBondContact O-N 3.2Å; I276-V371 HydrophobicContact CG2-CG1 4.04Å
277	S	91.1	Very high	90	Very high	8 Å²	8	51 Å²	51	6%	0.056	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-71.7	153.9	176.2	66.6	0	0	0	0	111.7	E279 K280 A281 D367	S277-E279 PolarHBondContact O-N 2.96Å; S277-E279 VanDerWaalsContact O-N 3.14Å; S277-K280 PolarHBondContact O-N 2.91Å; S277-K280 WeakPolarHBondContact OG-CG 3.24Å; S277-K280 PolarHBondContact OG-N 2.75Å; S277-A281 PolarHBondContact O-N 3.27Å; S277-D367 WeakPolarHBondContact CA-O 3.1Å
278	A	84.6	Confident	90	Very high	54 Å²	54	51.3 Å²	51.3	45%	0.446	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.5	176.3	0	0	0	0	0	113.4
279	E	82.8	Confident	90.1	Very high	158 Å²	158	53.3 Å²	53.3	74%	0.738	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-40.7	179.1	-61.2	-175.4	171.9	0	0	112.5	S277	S277-E279 PolarHBondContact O-N 2.96Å; S277-E279 VanDerWaalsContact O-N 3.14Å
280	K	85.4	Confident	90.1	Very high	64 Å²	64	57.6 Å²	57.6	28%	0.278	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-77	-24.8	-177.5	-73.9	176.3	175.9	160.3	0	113.6	D218 I276 S277 Y282 H283	D218-K280 IonicContact OD1-NZ 2.68Å; D218-K280 PolarHBondContact OD1-NZ 2.84Å; D218-K280 WeakPolarHBondContact OD2-CE 3.29Å; D218-K280 IonicContact OD2-NZ 2.71Å; D218-K280 PolarHBondContact OD2-NZ 2.97Å; I276-K280 HydrophobicContact CD1-CB 3.99Å; I276-K280 HydrophobicContact CG1-CB 3.7Å; S277-K280 PolarHBondContact O-N 2.91Å; S277-K280 WeakPolarHBondContact OG-CG 3.24Å; S277-K280 PolarHBondContact OG-N 2.75Å; K280-Y282 PolarHBondContact O-N 3.45Å; K280-H283 PolarHBondContact O-N 2.83Å
281	A	83.4	Confident	90.2	Very high	27 Å²	27	57.8 Å²	57.8	22%	0.223	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57.1	-26.2	-172.9	0	0	0	0	0	115.4	I276 S277 H283 A369	I276-A281 HydrophobicContact CD1-CB 4.42Å; S277-A281 PolarHBondContact O-N 3.27Å; A281-H283 VanDerWaalsContact C-N 3.28Å; A281-H283 PolarHBondContact O-N 3.18Å; A281-A369 HydrophobicContact CB-CB 3.41Å; A281-A369 VanDerWaalsContact CB-CB 3.41Å
282	Y	78.9	Confident	90.2	Very high	206 Å²	206	57.8 Å²	57.8	81%	0.808	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-76.6	-13	178.2	-61.6	-78.5	0	0	0	114.1	K280	K280-Y282 PolarHBondContact O-N 3.45Å
283	H	79.6	Confident	90.1	Very high	165 Å²	165	59.1 Å²	59.1	76%	0.764	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-7.1	-172.9	-65	-59.6	0	0	0	114	K280 A281	K280-H283 PolarHBondContact O-N 2.83Å; A281-H283 VanDerWaalsContact C-N 3.28Å; A281-H283 PolarHBondContact O-N 3.18Å
284	E	80.3	Confident	90.1	Very high	105 Å²	105	60.3 Å²	60.3	49%	0.491	31%	0.309	S	S	.	.			trans	-112.8	138.9	-175.9	-65.1	-166.4	-170.8	0	0	112.1	I276 L286	I276-E284 HydrophobicContact CD1-CB 4.05Å; I276-E284 HydrophobicContact CD1-CG 3.99Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.18Å; E284-L286 HydrophobicContact CB-CD2 4.34Å
285	Q	78.2	Confident	90.1	Very high	164 Å²	164	59.5 Å²	59.5	77%	0.766	30%	0.304	S	S	*	.			trans	-84.8	132.5	161.6	-69.5	-170.6	0.2	0	0	107.9
286	L	89.9	Confident	90.2	Very high	33 Å²	33	59.2 Å²	59.2	17%	0.173	30%	0.301	C	S	.	.			trans	-114.9	64.3	-177.9	-61.6	174.5	0	0	0	108.7	P274 E284 I291 V371 R373	P274-L286 HydrophobicContact CB-CD1 4.46Å; P274-L286 HydrophobicContact CB-CD2 3.8Å; P274-L286 HydrophobicContact CG-CD1 3.78Å; P274-L286 HydrophobicContact CG-CD2 3.97Å; P274-L286 HydrophobicContact CG-CG 4.39Å; E284-L286 HydrophobicContact CB-CD2 4.34Å; L286-I291 HydrophobicContact CB-CG2 4.34Å; L286-V371 HydrophobicContact CD1-CB 4.37Å; L286-V371 HydrophobicContact CD1-CG1 3.78Å; L286-R373 WeakPolarHBondContact O-CD 3.21Å; L286-R373 PolarHBondContact O-NH1 2.83Å
287	S	95.5	Very high	90.3	Very high	40 Å²	40	63.4 Å²	63.4	28%	0.28	32%	0.321	S	S	.	.			trans	-68.4	158.1	176.3	70	0	0	0	0	111.3	A289 E290 I291	S287-A289 PolarHBondContact O-N 2.86Å; S287-E290 WeakPolarHBondContact CA-OE2 3.49Å; S287-E290 WeakPolarHBondContact CB-OE2 3.43Å; S287-E290 PolarHBondContact N-OE2 3.04Å; S287-E290 PolarHBondContact O-N 3.06Å; S287-E290 VanDerWaalsContact O-N 3.14Å; S287-E290 VanDerWaalsContact OG-CG 3.3Å; S287-E290 WeakPolarHBondContact OG-CG 3.04Å; S287-E290 PolarHBondContact OG-N 3.12Å; S287-E290 VanDerWaalsContact OG-N 3.17Å; S287-E290 PolarHBondContact OG-OE2 3.37Å; S287-I291 WeakPolarHBondContact O-CG1 3.38Å; S287-I291 PolarHBondContact O-N 3.17Å
288	V	97.2	Very high	90.5	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-54.9	-42.7	174.6	179	0	0	0	0	110.3	E290 I291 T292 Y319 V323 D327 V328 A331	V288-E290 PolarHBondContact O-N 3.36Å; V288-I291 VanDerWaalsContact O-CG1 3.29Å; V288-I291 WeakPolarHBondContact O-CG1 3.16Å; V288-T292 VanDerWaalsContact O-CB 3.28Å; V288-T292 WeakPolarHBondContact O-CB 3.41Å; V288-T292 PolarHBondContact O-N 3.09Å; V288-T292 PolarHBondContact O-OG1 3.45Å; V288-Y319 HydrophobicContact CG1-CD1 4.48Å; V288-Y319 HydrophobicContact CG1-CE1 3.89Å; V288-V323 HydrophobicContact CG1-CG1 4.32Å; V288-V323 HydrophobicContact CG2-CB 4.48Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.21Å; V288-D327 HydrophobicContact CB-CB 4.04Å; V288-D327 HydrophobicContact CG1-CB 4.26Å; V288-D327 HydrophobicContact CG2-CB 4.05Å; V288-V328 HydrophobicContact CG1-CG2 3.92Å; V288-A331 HydrophobicContact CG1-CB 4.4Å
289	A	97	Very high	91	Very high	42 Å²	42	64.5 Å²	64.5	35%	0.347	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-43.1	177.9	0	0	0	0	0	112.8	S287 N293 A331	S287-A289 PolarHBondContact O-N 2.86Å; A289-N293 WeakPolarHBondContact O-CB 3.38Å; A289-N293 VanDerWaalsContact O-CG 3.3Å; A289-N293 PolarHBondContact O-N 3.2Å; A289-N293 PolarHBondContact O-ND2 3.09Å; A289-A331 HydrophobicContact CB-CB 4.41Å
290	E	95.8	Very high	91.6	Very high	90 Å²	90	57.9 Å²	57.9	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-65.9	-48	-179.8	-74.3	156.9	149.6	0	0	111.9	S287 V288 T292 N293 A294	S287-E290 WeakPolarHBondContact CA-OE2 3.49Å; S287-E290 WeakPolarHBondContact CB-OE2 3.43Å; S287-E290 PolarHBondContact N-OE2 3.04Å; S287-E290 PolarHBondContact O-N 3.06Å; S287-E290 VanDerWaalsContact O-N 3.14Å; S287-E290 VanDerWaalsContact OG-CG 3.3Å; S287-E290 WeakPolarHBondContact OG-CG 3.04Å; S287-E290 PolarHBondContact OG-N 3.12Å; S287-E290 VanDerWaalsContact OG-N 3.17Å; S287-E290 PolarHBondContact OG-OE2 3.37Å; V288-E290 PolarHBondContact O-N 3.36Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.28Å; E290-N293 PolarHBondContact O-N 3.48Å; E290-A294 WeakPolarHBondContact O-CB 3.44Å; E290-A294 PolarHBondContact O-N 2.72Å
291	I	97.2	Very high	92.1	Very high	3 Å²	3	55 Å²	55	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-66.4	-37.5	179.7	68	179	0	0	0	111.3	A273 P274 L286 S287 V288 A294 C295 Y319 R373 V375	A273-I291 HydrophobicContact CB-CB 4.25Å; A273-I291 WeakPolarHBondContact CB-O 3.4Å; P274-I291 HydrophobicContact CB-CG2 4.45Å; P274-I291 HydrophobicContact CG-CG2 4.36Å; L286-I291 HydrophobicContact CB-CG2 4.34Å; S287-I291 WeakPolarHBondContact O-CG1 3.38Å; S287-I291 PolarHBondContact O-N 3.17Å; V288-I291 VanDerWaalsContact O-CG1 3.29Å; V288-I291 WeakPolarHBondContact O-CG1 3.16Å; I291-A294 PolarHBondContact O-N 3.41Å; I291-C295 PolarHBondContact O-N 2.95Å; I291-Y319 HydrophobicContact CD1-CD1 4.35Å; I291-Y319 HydrophobicContact CD1-CE1 4.44Å; I291-R373 HydrophobicContact CD1-CG 4.09Å; I291-V375 HydrophobicContact CB-CG1 3.88Å; I291-V375 HydrophobicContact CD1-CB 4.26Å; I291-V375 HydrophobicContact CD1-CG1 3.97Å; I291-V375 HydrophobicContact CG1-CB 4.47Å; I291-V375 HydrophobicContact CG1-CG1 3.71Å
292	T	97.7	Very high	92.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-45.4	174	-59.5	0	0	0	0	110.9	V288 E290 A294 C295 F296 M317 Y319 A331 I335	V288-T292 VanDerWaalsContact O-CB 3.28Å; V288-T292 WeakPolarHBondContact O-CB 3.41Å; V288-T292 PolarHBondContact O-N 3.09Å; V288-T292 PolarHBondContact O-OG1 3.45Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.28Å; T292-A294 VanDerWaalsContact C-N 3.33Å; T292-A294 PolarHBondContact O-N 3Å; T292-C295 WeakPolarHBondContact O-CB 3.45Å; T292-C295 PolarHBondContact O-N 2.97Å; T292-F296 WeakPolarHBondContact O-CD2 3.35Å; T292-M317 HydrophobicContact CG2-CE 4.06Å; T292-Y319 PolarHBondContact OG1-OH 3.15Å; T292-A331 HydrophobicContact CG2-CB 3.96Å; T292-I335 HydrophobicContact CG2-CD1 4.37Å; T292-I335 HydrophobicContact CG2-CG1 3.84Å
293	N	96.3	Very high	93.4	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.193	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-41.3	177.4	-79.9	-59.6	0	0	0	111.9	A289 E290 C295 F296 I335 K338	A289-N293 WeakPolarHBondContact O-CB 3.38Å; A289-N293 VanDerWaalsContact O-CG 3.3Å; A289-N293 PolarHBondContact O-N 3.2Å; A289-N293 PolarHBondContact O-ND2 3.09Å; E290-N293 PolarHBondContact O-N 3.48Å; N293-C295 PolarHBondContact O-N 2.85Å; N293-F296 PolarHBondContact O-N 2.57Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.47Å; N293-K338 VanDerWaalsContact OD1-CE 3.25Å; N293-K338 WeakPolarHBondContact OD1-CE 3.41Å; N293-K338 PolarHBondContact OD1-NZ 2.94Å
294	A	96.2	Very high	94.1	Very high	26 Å²	26	39 Å²	39	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-30	178.1	0	0	0	0	0	112.8	A273 E290 I291 T292 F296 E297 N300	A273-A294 HydrophobicContact CB-CB 3.82Å; E290-A294 WeakPolarHBondContact O-CB 3.44Å; E290-A294 PolarHBondContact O-N 2.72Å; I291-A294 PolarHBondContact O-N 3.41Å; T292-A294 VanDerWaalsContact C-N 3.33Å; T292-A294 PolarHBondContact O-N 3Å; A294-F296 PolarHBondContact O-N 3.35Å; A294-E297 PolarHBondContact O-N 3.38Å; A294-N300 WeakPolarHBondContact O-CB 3.07Å; A294-N300 PolarHBondContact O-ND2 3.07Å
295	C	97.3	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-24.8	175.7	-75.9	0	0	0	0	114.3	T271 I291 T292 N293 Q301 M317 V375 M377	T271-C295 HydrophobicContact CG2-CB 4.08Å; T271-C295 WeakPolarHBondContact CG2-O 3.09Å; I291-C295 PolarHBondContact O-N 2.95Å; T292-C295 WeakPolarHBondContact O-CB 3.45Å; T292-C295 PolarHBondContact O-N 2.97Å; N293-C295 PolarHBondContact O-N 2.85Å; C295-Q301 PolarHBondContact O-NE2 3.27Å; C295-M317 HydrophobicContact CB-CE 4.32Å; C295-V375 VanDerWaalsContact SG-CG1 3.56Å; C295-M377 HydrophobicContact CB-CB 3.89Å; C295-M377 HydrophobicContact CB-CE 4.22Å; C295-M377 HydrophobicContact CB-SD 3.96Å; C295-M377 WeakPolarHBondContact O-CE 3.22Å
296	F	96.2	Very high	95.4	Very high	9 Å²	9	28 Å²	28	4%	0.039	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.5	-179.9	-71.6	-87.3	0	0	0	113.2	T292 N293 A294 Y312 M317 I335 I341 F343 F351 M377	T292-F296 WeakPolarHBondContact O-CD2 3.35Å; N293-F296 PolarHBondContact O-N 2.57Å; A294-F296 PolarHBondContact O-N 3.35Å; F296-Y312 AromaticContact CD1-CE2 3.87Å; F296-Y312 HydrophobicContact CD1-CE2 3.87Å; F296-Y312 AromaticContact CD1-CZ 3.83Å; F296-Y312 HydrophobicContact CE1-CD2 4.42Å; F296-Y312 HydrophobicContact CE1-CE1 4.43Å; F296-Y312 HydrophobicContact CE1-CE2 4.05Å; F296-M317 HydrophobicContact CE2-CE 4.3Å; F296-M317 HydrophobicContact CE2-SD 4.23Å; F296-M317 HydrophobicContact CZ-SD 4.37Å; F296-I335 HydrophobicContact CD1-CG2 4.34Å; F296-I335 HydrophobicContact CD2-CD1 3.62Å; F296-I335 HydrophobicContact CD2-CG1 4.02Å; F296-I335 HydrophobicContact CD2-CG2 4.05Å; F296-I335 HydrophobicContact CE1-CG2 4.08Å; F296-I335 HydrophobicContact CE2-CD1 4.12Å; F296-I335 HydrophobicContact CE2-CG1 3.98Å; F296-I335 HydrophobicContact CE2-CG2 3.8Å; F296-I335 HydrophobicContact CG-CD1 4.24Å; F296-I335 HydrophobicContact CG-CG2 4.33Å; F296-I335 HydrophobicContact CZ-CG2 3.82Å; F296-I341 HydrophobicContact CB-CD1 3.55Å; F296-I341 HydrophobicContact CB-CG1 4.33Å; F296-I341 HydrophobicContact CD1-CD1 3.86Å; F296-I341 HydrophobicContact CD1-CG1 4.35Å; F296-I341 HydrophobicContact CD1-CG2 3.72Å; F296-I341 HydrophobicContact CD2-CD1 4.47Å; F296-I341 HydrophobicContact CE1-CG2 3.94Å; F296-I341 HydrophobicContact CG-CD1 3.71Å; F296-F343 HydrophobicContact CE1-CZ 4.33Å; F296-F351 HydrophobicContact CE1-CZ 4.46Å; F296-F351 HydrophobicContact CE2-CE1 4.21Å; F296-F351 HydrophobicContact CE2-CZ 4.5Å; F296-F351 AromaticContact CZ-CE1 3.64Å; F296-F351 HydrophobicContact CZ-CE1 3.64Å; F296-F351 AromaticContact CZ-CZ 3.77Å; F296-F351 HydrophobicContact CZ-CZ 3.77Å; F296-M377 HydrophobicContact CD1-CE 4.36Å; F296-M377 HydrophobicContact CD1-SD 4.23Å; F296-M377 HydrophobicContact CD2-SD 4.15Å; F296-M377 HydrophobicContact CE1-CE 4.29Å; F296-M377 HydrophobicContact CE1-SD 3.72Å; F296-M377 HydrophobicContact CE2-SD 3.61Å; F296-M377 HydrophobicContact CG-SD 4.42Å; F296-M377 HydrophobicContact CZ-CE 4.47Å; F296-M377 HydrophobicContact CZ-SD 3.36Å; F296-M377 WeakPolarHBondContact CZ-SD 3.36Å
297	E	95.3	Very high	95.5	Very high	95 Å²	95	26.7 Å²	26.7	44%	0.444	16%	0.156	S	C	.	.			trans	-75.5	126.5	174.6	-67.3	-58.6	144.5	0	0	109.7	A294 A299 N300	A294-E297 PolarHBondContact O-N 3.38Å; E297-A299 PolarHBondContact O-N 2.96Å; E297-A299 VanDerWaalsContact O-N 3.08Å; E297-N300 PolarHBondContact O-N 3.19Å
298	P	95	Very high	95.4	Very high	32 Å²	32	31.6 Å²	31.6	21%	0.208	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-52.7	-35.2	-179.8	-29.8	35.4	0	0	0	113.3	N300 Q301 P307 R308	P298-N300 PolarHBondContact O-N 3.31Å; P298-Q301 WeakPolarHBondContact O-CB 3.17Å; P298-Q301 WeakPolarHBondContact O-CG 3.33Å; P298-Q301 PolarHBondContact O-N 3.45Å; P298-P307 HydrophobicContact CB-CG 4.34Å; P298-P307 HydrophobicContact CG-CG 4.18Å; P298-R308 HydrophobicContact CG-CG 4.16Å
299	A	94.9	Very high	95.2	Very high	53 Å²	53	37.4 Å²	37.4	44%	0.438	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-66.5	-21.7	-179.6	0	0	0	0	0	113.1	I212 R215 E297	I212-A299 WeakPolarHBondContact CG1-O 3.25Å; R215-A299 PolarHBondContact NH2-O 2.82Å; E297-A299 PolarHBondContact O-N 2.96Å; E297-A299 VanDerWaalsContact O-N 3.08Å
300	N	95.9	Very high	95	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.102	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-95	-4.5	-179.4	-65.6	-19.9	0	0	0	113.1	I212 R215 T271 A294 E297 P298 M302	I212-N300 WeakPolarHBondContact CD1-O 3.4Å; R215-N300 PolarHBondContact NH1-OD1 3.21Å; T271-N300 HydrophobicContact CG2-CB 3.99Å; T271-N300 WeakPolarHBondContact CG2-O 3.31Å; A294-N300 WeakPolarHBondContact O-CB 3.07Å; A294-N300 PolarHBondContact O-ND2 3.07Å; E297-N300 PolarHBondContact O-N 3.19Å; P298-N300 PolarHBondContact O-N 3.31Å; N300-M302 PolarHBondContact O-N 3.43Å
301	Q	95.7	Very high	94.9	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.019	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-62.7	135.5	172.8	-58.8	-56.1	-50.9	0	0	110	T271 C295 P298 V303 P307	T271-Q301 VanDerWaalsContact OG1-CD 3.22Å; T271-Q301 PolarHBondContact OG1-NE2 2.78Å; T271-Q301 PolarHBondContact OG1-OE1 3.25Å; C295-Q301 PolarHBondContact O-NE2 3.27Å; P298-Q301 WeakPolarHBondContact O-CB 3.17Å; P298-Q301 WeakPolarHBondContact O-CG 3.33Å; P298-Q301 PolarHBondContact O-N 3.45Å; Q301-V303 PolarHBondContact O-N 2.73Å; Q301-P307 HydrophobicContact CG-CG 3.98Å
302	M	96.2	Very high	94.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.168	C	C	.	.	S	Bend	trans	-85	7.9	178.4	-62.2	-169.5	178.5	0	0	113.4	V204 D205 A208 I209 I212 L230 I234 A270 N300	V204-M302 CarbonylContact C-O 3.41Å; V204-M302 WeakPolarHBondContact CA-O 3.3Å; V204-M302 HydrophobicContact CB-CB 4.43Å; V204-M302 HydrophobicContact CG1-CB 4.08Å; V204-M302 HydrophobicContact CG1-SD 4.28Å; D205-M302 PolarHBondContact N-O 3.47Å; A208-M302 VanDerWaalsContact CB-C 3.46Å; A208-M302 WeakPolarHBondContact CB-O 3.43Å; I209-M302 HydrophobicContact CG1-CB 4.26Å; I209-M302 HydrophobicContact CG1-CG 4.36Å; I212-M302 HydrophobicContact CD1-CG 4.18Å; L230-M302 HydrophobicContact CD1-CE 4.07Å; L230-M302 HydrophobicContact CD2-CE 3.65Å; L230-M302 HydrophobicContact CG-CE 3.6Å; I234-M302 HydrophobicContact CD1-CE 3.72Å; I234-M302 HydrophobicContact CD1-SD 3.97Å; I234-M302 HydrophobicContact CG1-CE 3.67Å; I234-M302 HydrophobicContact CG1-SD 3.63Å; A270-M302 HydrophobicContact CB-SD 4.45Å; A270-M302 VanDerWaalsContact O-CB 3.28Å; A270-M302 WeakPolarHBondContact O-CB 3.4Å; A270-M302 WeakPolarHBondContact O-CG 3.45Å; A270-M302 PolarHBondContact O-N 2.78Å; N300-M302 PolarHBondContact O-N 3.43Å
303	V	94.9	Very high	94.7	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	17%	0.168	C	C	.	.	S	Bend	trans	-129	140	173	177.5	0	0	0	0	108.6	M203 L269 Q301 C305 I384	M203-V303 HydrophobicContact CB-CG2 3.83Å; M203-V303 VanDerWaalsContact O-CG2 3.28Å; M203-V303 WeakPolarHBondContact O-CG2 3.1Å; L269-V303 HydrophobicContact CD2-CB 3.92Å; L269-V303 HydrophobicContact CD2-CG1 4.26Å; L269-V303 HydrophobicContact CD2-CG2 3.92Å; Q301-V303 PolarHBondContact O-N 2.73Å; V303-C305 VanDerWaalsContact C-N 3.27Å; V303-C305 PolarHBondContact O-N 2.62Å; V303-I384 HydrophobicContact CG1-CD1 4.17Å
304	K	93.5	Very high	94.6	Very high	57 Å²	57	31.6 Å²	31.6	25%	0.248	16%	0.162	C	C	.	.	S	Bend	trans	-70	81.1	175.1	-72.6	-64.9	-170.3	174	0	112	P175 D205 E207 A208 D211 R390	P175-K304 HydrophobicContact CG-CB 3.77Å; P175-K304 HydrophobicContact CG-CG 4.08Å; D205-K304 WeakPolarHBondContact OD2-CB 3.3Å; D205-K304 WeakPolarHBondContact OD2-CG 3.46Å; D205-K304 PolarHBondContact OD2-N 3.17Å; E207-K304 HydrophobicContact CB-CG 4.35Å; E207-K304 HydrophobicContact CG-CG 4.41Å; E207-K304 VanDerWaalsContact OE1-CE 3.26Å; E207-K304 WeakPolarHBondContact OE1-CE 3.22Å; E207-K304 IonicContact OE1-NZ 2.95Å; A208-K304 HydrophobicContact CB-CD 4.32Å; A208-K304 HydrophobicContact CB-CG 4.21Å; D211-K304 IonicContact OD2-NZ 3.72Å; D211-K304 PolarHBondContact OD2-NZ 2.75Å; K304-R390 VanDerWaalsContact O-CZ 3.28Å; K304-R390 PolarHBondContact O-NH1 3.33Å; K304-R390 VanDerWaalsContact O-NH1 3.1Å; K304-R390 PolarHBondContact O-NH2 2.99Å
305	C	91.8	Very high	94.6	Very high	12 Å²	12	30.4 Å²	30.4	8%	0.081	15%	0.152	C	C	.	.	S	Bend	trans	-149.6	150.2	167.6	56.2	0	0	0	0	108	L269 V303 P307 A383	L269-C305 WeakPolarHBondContact CD1-SG 3.18Å; V303-C305 VanDerWaalsContact C-N 3.27Å; V303-C305 PolarHBondContact O-N 2.62Å; C305-P307 WeakPolarHBondContact O-CD 3.33Å; C305-A383 WeakPolarHBondContact CB-O 3.03Å
306	D	93	Very high	94.5	Very high	26 Å²	26	30.4 Å²	30.4	14%	0.139	15%	0.153	C	C	.	.			trans	-92.8	110.2	176.8	-165.9	-23.6	0	0	0	109.7	R308 H309 A383 E386	D306-R308 VanDerWaalsContact CG-NE 3.33Å; D306-R308 PolarHBondContact O-N 3.11Å; D306-R308 WeakPolarHBondContact OD1-CB 3.25Å; D306-R308 VanDerWaalsContact OD1-CG 3.25Å; D306-R308 WeakPolarHBondContact OD1-CG 3.06Å; D306-R308 IonicContact OD1-CZ 3.54Å; D306-R308 PolarHBondContact OD1-N 2.91Å; D306-R308 IonicContact OD1-NE 2.66Å; D306-R308 PolarHBondContact OD1-NE 3.4Å; D306-R308 IonicContact OD1-NH2 3.87Å; D306-R308 IonicContact OD2-CZ 2.7Å; D306-R308 IonicContact OD2-NE 3.64Å; D306-R308 PolarHBondContact OD2-NE 2.81Å; D306-R308 IonicContact OD2-NH2 2.61Å; D306-R308 PolarHBondContact OD2-NH2 3.23Å; D306-H309 PolarHBondContact O-N 3.36Å; D306-H309 IonicContact OD2-CE1 3.63Å; D306-H309 IonicContact OD2-NE2 3.89Å; D306-A383 WeakPolarHBondContact O-CB 3.42Å; D306-E386 PolarHBondContact N-OE2 3Å
307	P	93	Very high	94.4	Very high	5 Å²	5	30 Å²	30	3%	0.032	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-61.5	-15.4	179.8	25.2	-33.9	0	0	0	113	P298 Q301 C305 H309 G310 Y312	P298-P307 HydrophobicContact CB-CG 4.34Å; P298-P307 HydrophobicContact CG-CG 4.18Å; Q301-P307 HydrophobicContact CG-CG 3.98Å; C305-P307 WeakPolarHBondContact O-CD 3.33Å; P307-H309 VanDerWaalsContact C-N 3.29Å; P307-G310 PolarHBondContact O-N 2.75Å; P307-Y312 HydrophobicContact CB-CE1 4.43Å; P307-Y312 HydrophobicContact CB-CE2 4.23Å; P307-Y312 WeakPolarHBondContact CB-OH 3.46Å
308	R	92.6	Very high	94.5	Very high	143 Å²	143	25.9 Å²	25.9	54%	0.54	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-74.8	-17.9	175.6	-57.2	173.2	-67.7	-176.1	0.3	113.2	P298 D306 G310	P298-R308 HydrophobicContact CG-CG 4.16Å; D306-R308 VanDerWaalsContact CG-NE 3.33Å; D306-R308 PolarHBondContact O-N 3.11Å; D306-R308 WeakPolarHBondContact OD1-CB 3.25Å; D306-R308 VanDerWaalsContact OD1-CG 3.25Å; D306-R308 WeakPolarHBondContact OD1-CG 3.06Å; D306-R308 IonicContact OD1-CZ 3.54Å; D306-R308 PolarHBondContact OD1-N 2.91Å; D306-R308 IonicContact OD1-NE 2.66Å; D306-R308 PolarHBondContact OD1-NE 3.4Å; D306-R308 IonicContact OD1-NH2 3.87Å; D306-R308 IonicContact OD2-CZ 2.7Å; D306-R308 IonicContact OD2-NE 3.64Å; D306-R308 PolarHBondContact OD2-NE 2.81Å; D306-R308 IonicContact OD2-NH2 2.61Å; D306-R308 PolarHBondContact OD2-NH2 3.23Å; R308-G310 VanDerWaalsContact C-N 3.28Å
309	H	93.2	Very high	94.6	Very high	130 Å²	130	24.4 Å²	24.4	60%	0.602	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-88.5	1.2	175.7	-60.3	168.2	0	0	0	112.5	D306 P307 E386	D306-H309 PolarHBondContact O-N 3.36Å; D306-H309 IonicContact OD2-CE1 3.63Å; D306-H309 IonicContact OD2-NE2 3.89Å; P307-H309 VanDerWaalsContact C-N 3.29Å; H309-E386 WeakPolarHBondContact CB-OE1 3.39Å; H309-E386 IonicContact CE1-OE1 3.22Å; H309-E386 IonicContact CG-OE1 3.93Å; H309-E386 IonicContact ND1-OE1 2.62Å; H309-E386 PolarHBondContact ND1-OE1 3.14Å
310	G	93.6	Very high	94.6	Very high	7 Å²	7	22 Å²	22	7%	0.072	10%	0.102	C	C	.	.	S	Bend	trans	-135.3	-171.5	175.1	0	0	0	0	0	112	P307 R308 T382	P307-G310 PolarHBondContact O-N 2.75Å; R308-G310 VanDerWaalsContact C-N 3.28Å; G310-T382 VanDerWaalsContact CA-OG1 3.26Å; G310-T382 WeakPolarHBondContact CA-OG1 3.25Å
311	K	94.5	Very high	94.5	Very high	27 Å²	27	21.2 Å²	21.2	12%	0.117	10%	0.098	C	C	.	.			trans	-119.5	144.6	174.9	-63.2	179.5	-175.6	165.5	0	109.2	Q342 V344 T381 T382 G436 D438	K311-Q342 WeakPolarHBondContact CA-O 3.31Å; K311-Q342 HydrophobicContact CG-CB 4Å; K311-V344 HydrophobicContact CB-CG1 3.91Å; K311-T381 VanDerWaalsContact O-CA 3.24Å; K311-T381 WeakPolarHBondContact O-CA 3.47Å; K311-T381 PolarHBondContact O-OG1 2.97Å; K311-T382 PolarHBondContact N-OG1 3.48Å; K311-T382 PolarHBondContact O-N 3.3Å; K311-G436 WeakPolarHBondContact CD-O 3.23Å; K311-G436 WeakPolarHBondContact CE-O 3.43Å; K311-G436 PolarHBondContact NZ-O 2.64Å; K311-D438 IonicContact NZ-OD1 2.92Å; K311-D438 PolarHBondContact NZ-OD1 3.21Å; K311-D438 IonicContact NZ-OD2 3.41Å; K311-D438 PolarHBondContact NZ-OD2 3.42Å
312	Y	95.2	Very high	94.5	Very high	4 Å²	4	25 Å²	25	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.7	171.4	-70.3	-76.2	0	0	0	109.6	F296 P307 I341 Q342 F343 V344 M377	F296-Y312 AromaticContact CD1-CE2 3.87Å; F296-Y312 HydrophobicContact CD1-CE2 3.87Å; F296-Y312 AromaticContact CD1-CZ 3.83Å; F296-Y312 HydrophobicContact CE1-CD2 4.42Å; F296-Y312 HydrophobicContact CE1-CE1 4.43Å; F296-Y312 HydrophobicContact CE1-CE2 4.05Å; P307-Y312 HydrophobicContact CB-CE1 4.43Å; P307-Y312 HydrophobicContact CB-CE2 4.23Å; P307-Y312 WeakPolarHBondContact CB-OH 3.46Å; Y312-I341 HydrophobicContact CD2-CG2 3.8Å; Y312-I341 HydrophobicContact CE2-CG2 3.76Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.42Å; Y312-Q342 PolarHBondContact N-O 3.45Å; Y312-F343 VanDerWaalsContact CB-CE1 3.49Å; Y312-F343 HydrophobicContact CD2-CZ 4.36Å; Y312-F343 HydrophobicContact CG-CE1 4.2Å; Y312-F343 HydrophobicContact CG-CZ 4.45Å; Y312-F343 VanDerWaalsContact O-CA 3.27Å; Y312-F343 WeakPolarHBondContact O-CA 3.49Å; Y312-V344 PolarHBondContact O-N 2.77Å; Y312-M377 HydrophobicContact CE1-CE 4.46Å
313	M	94.6	Very high	94.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-41.4	172.8	-65.5	173.5	-85.8	0	0	110.9	P261 I265 V344 W346 N380 T382 Y432 V435	P261-M313 HydrophobicContact CG-SD 3.95Å; I265-M313 HydrophobicContact CG2-CE 3.69Å; I265-M313 HydrophobicContact CG2-SD 3.92Å; M313-V344 HydrophobicContact CB-CG2 4.46Å; M313-V344 HydrophobicContact CG-CG1 3.82Å; M313-V344 HydrophobicContact CG-CG2 4.41Å; M313-W346 HydrophobicContact CB-CH2 4.11Å; M313-W346 HydrophobicContact CB-CZ2 4.27Å; M313-W346 HydrophobicContact CG-CH2 4.19Å; M313-W346 HydrophobicContact CG-CZ2 3.88Å; M313-W346 HydrophobicContact SD-CZ2 4.35Å; M313-N380 HydrophobicContact CE-CB 4.24Å; M313-N380 WeakPolarHBondContact CE-OD1 3.04Å; M313-N380 PolarHBondContact N-O 3.41Å; M313-T382 HydrophobicContact CE-CG2 4.1Å; M313-T382 HydrophobicContact SD-CG2 4.38Å; M313-Y432 HydrophobicContact CE-CD1 3.89Å; M313-Y432 HydrophobicContact CE-CE1 3.73Å; M313-V435 HydrophobicContact CG-CG1 4.1Å; M313-V435 HydrophobicContact SD-CB 4.44Å; M313-V435 HydrophobicContact SD-CG1 3.42Å; M313-V435 WeakPolarHBondContact SD-CG1 3.25Å
314	A	94.4	Very high	94.3	Very high	8 Å²	8	28.5 Å²	28.5	7%	0.066	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	145.8	178.4	0	0	0	0	0	110.9	N258 L259 G350 S379 N380	N258-A314 WeakPolarHBondContact O-CB 3.44Å; L259-A314 HydrophobicContact CD2-CB 4.13Å; A314-G350 CarbonylContact C-O 3.52Å; A314-S379 CarbonylContact O-C 3.58Å; A314-S379 VanDerWaalsContact O-CA 3.25Å; A314-S379 WeakPolarHBondContact O-CA 3.17Å; A314-N380 PolarHBondContact N-O 3.03Å; A314-N380 PolarHBondContact O-N 3.44Å
315	C	95.3	Very high	94.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.4	175.8	-69.6	0	0	0	0	109.6	G350 F351 K352 L378	C315-G350 WeakPolarHBondContact CB-O 3.48Å; C315-G350 PolarHBondContact N-O 2.81Å; C315-F351 HydrophobicContact CB-CD1 3.89Å; C315-F351 HydrophobicContact CB-CE1 3.92Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.47Å; C315-F351 CarbonylContact O-C 3.55Å; C315-F351 VanDerWaalsContact O-CA 3.26Å; C315-F351 WeakPolarHBondContact O-CA 3.39Å; C315-K352 PolarHBondContact O-N 3.1Å; C315-L378 CarbonylContact C-O 3.27Å; C315-L378 WeakPolarHBondContact CA-O 3.23Å
316	C	94.8	Very high	94.6	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.3	170.2	-168.7	0	0	0	0	109.4	L259 K352 M377 L378	L259-C316 HydrophobicContact CD1-CB 4.3Å; L259-C316 HydrophobicContact CD2-CB 3.81Å; L259-C316 HydrophobicContact CG-CB 4.26Å; C316-K352 CarbonylContact C-O 3.59Å; C316-K352 WeakPolarHBondContact CA-O 3.29Å; C316-K352 HydrophobicContact CB-CB 4.44Å; C316-M377 WeakPolarHBondContact O-CA 3.5Å; C316-L378 HydrophobicContact CB-CB 4.28Å; C316-L378 PolarHBondContact N-O 3Å; C316-L378 PolarHBondContact O-N 3.28Å
317	M	95.9	Very high	94.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.7	-179.5	-52.2	-63.5	-59.9	0	0	109.6	T292 C295 F296 Y319 I332 F351 K352 V353 G354 V375 M377	T292-M317 HydrophobicContact CG2-CE 4.06Å; C295-M317 HydrophobicContact CB-CE 4.32Å; F296-M317 HydrophobicContact CE2-CE 4.3Å; F296-M317 HydrophobicContact CE2-SD 4.23Å; F296-M317 HydrophobicContact CZ-SD 4.37Å; M317-Y319 HydrophobicContact CB-CD2 4.2Å; M317-Y319 HydrophobicContact CB-CE2 3.48Å; M317-Y319 VanDerWaalsContact CB-CE2 3.48Å; M317-Y319 HydrophobicContact CG-CE2 4.46Å; M317-I332 HydrophobicContact CG-CD1 4.46Å; M317-F351 HydrophobicContact CG-CD1 3.94Å; M317-F351 HydrophobicContact CG-CE1 4.31Å; M317-F351 HydrophobicContact SD-CD1 4.45Å; M317-F351 HydrophobicContact SD-CE1 4.28Å; M317-K352 PolarHBondContact N-O 2.99Å; M317-V353 WeakPolarHBondContact O-CA 3.37Å; M317-G354 PolarHBondContact O-N 3.27Å; M317-V375 HydrophobicContact CB-CG2 4.38Å; M317-V375 HydrophobicContact CE-CG2 3.72Å; M317-M377 HydrophobicContact CE-CB 4.18Å; M317-M377 HydrophobicContact CE-CG 4.37Å; M317-M377 HydrophobicContact CE-SD 4.36Å; M317-M377 HydrophobicContact SD-CB 3.93Å; M317-M377 HydrophobicContact SD-CG 3.55Å; M317-M377 VanDerWaalsContact SD-CG 3.55Å; M317-M377 HydrophobicContact SD-SD 3.72Å
318	L	95.9	Very high	95	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	93.4	-176.7	-56.6	176.6	0	0	0	109.8	I238 V250 F255 V375 C376 L378	I238-L318 HydrophobicContact CB-CD1 4.42Å; I238-L318 HydrophobicContact CG1-CD1 4.09Å; V250-L318 HydrophobicContact CG2-CD2 4.2Å; F255-L318 HydrophobicContact CE1-CD1 4.07Å; F255-L318 HydrophobicContact CE1-CD2 4.35Å; F255-L318 HydrophobicContact CZ-CD1 4.11Å; F255-L318 HydrophobicContact CZ-CD2 4.49Å; L318-V375 WeakPolarHBondContact O-CA 3.48Å; L318-C376 HydrophobicContact CB-CB 4.21Å; L318-C376 WeakPolarHBondContact CB-O 3.41Å; L318-C376 PolarHBondContact N-O 3.18Å; L318-C376 PolarHBondContact O-N 3.05Å; L318-L378 HydrophobicContact CD1-CD1 3.98Å; L318-L378 HydrophobicContact CD1-CG 4.46Å
319	Y	97.2	Very high	95.1	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143.4	179.5	-64.5	-90.7	0	0	0	111.4	V288 I291 T292 M317 V323 V328 V353 G354 I355 N356 A374 V375	V288-Y319 HydrophobicContact CG1-CD1 4.48Å; V288-Y319 HydrophobicContact CG1-CE1 3.89Å; I291-Y319 HydrophobicContact CD1-CD1 4.35Å; I291-Y319 HydrophobicContact CD1-CE1 4.44Å; T292-Y319 PolarHBondContact OG1-OH 3.15Å; M317-Y319 HydrophobicContact CB-CD2 4.2Å; M317-Y319 HydrophobicContact CB-CE2 3.48Å; M317-Y319 VanDerWaalsContact CB-CE2 3.48Å; M317-Y319 HydrophobicContact CG-CE2 4.46Å; Y319-V323 HydrophobicContact CD1-CG1 3.87Å; Y319-V323 HydrophobicContact CD1-CG2 4.22Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å; Y319-V328 HydrophobicContact CD1-CG2 4.31Å; Y319-V328 HydrophobicContact CD2-CG1 4.13Å; Y319-V328 HydrophobicContact CD2-CG2 3.9Å; Y319-V328 HydrophobicContact CE1-CG2 4.2Å; Y319-V328 HydrophobicContact CE2-CB 4.21Å; Y319-V328 HydrophobicContact CE2-CG1 3.38Å; Y319-V328 HydrophobicContact CE2-CG2 3.76Å; Y319-V328 HydrophobicContact CG-CG2 4.18Å; Y319-V353 HydrophobicContact CD2-CG1 4.14Å; Y319-V353 HydrophobicContact CE2-CG1 4.23Å; Y319-G354 PolarHBondContact N-O 3.01Å; Y319-I355 HydrophobicContact CD2-CG1 4.41Å; Y319-N356 PolarHBondContact O-N 2.88Å; Y319-A374 CarbonylContact C-O 3.45Å; Y319-A374 WeakPolarHBondContact CA-O 3.16Å; Y319-V375 HydrophobicContact CD1-CB 3.61Å; Y319-V375 HydrophobicContact CD1-CG2 3.73Å; Y319-V375 HydrophobicContact CD2-CG2 4.23Å; Y319-V375 HydrophobicContact CE1-CB 3.67Å; Y319-V375 HydrophobicContact CE1-CG1 4.25Å; Y319-V375 HydrophobicContact CE1-CG2 3.58Å; Y319-V375 HydrophobicContact CE2-CG2 4.1Å; Y319-V375 HydrophobicContact CG-CB 4.26Å; Y319-V375 HydrophobicContact CG-CG2 4.04Å
320	R	95.4	Very high	95.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.8	174.5	-62.8	-69.7	-60.3	-102	-11.4	109.2	E27 S236 A240 N356 Q358 P359 P360 R373 A374	E27-R320 IonicContact OE1-CZ 2.73Å; E27-R320 IonicContact OE1-NH1 3.97Å; E27-R320 IonicContact OE1-NH2 3.72Å; E27-R320 PolarHBondContact OE1-NH2 2.79Å; S236-R320 PolarHBondContact O-NH1 2.82Å; S236-R320 VanDerWaalsContact O-NH1 3.1Å; S236-R320 PolarHBondContact OG-NH1 2.81Å; A240-R320 VanDerWaalsContact CB-NH1 3.3Å; R320-N356 CarbonylContact C-O 3.59Å; R320-N356 WeakPolarHBondContact CA-O 3.48Å; R320-Q358 PolarHBondContact NE-O 3.04Å; R320-Q358 PolarHBondContact NH2-O 3.16Å; R320-P359 PolarHBondContact NH2-O 3.31Å; R320-P360 HydrophobicContact CB-CG 3.84Å; R320-P360 HydrophobicContact CG-CG 4.41Å; R320-R373 WeakPolarHBondContact O-CA 3.37Å; R320-R373 WeakPolarHBondContact O-CB 3.22Å; R320-A374 PolarHBondContact N-O 3.39Å; R320-A374 PolarHBondContact O-N 3.2Å
321	G	94.8	Very high	95.5	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.5	-145.4	170.1	0	0	0	0	0	115.2	V323 N356 Q358 Q372	G321-V323 PolarHBondContact O-N 3.25Å; G321-N356 PolarHBondContact N-O 3.22Å; G321-Q358 PolarHBondContact N-O 2.72Å; G321-Q372 VanDerWaalsContact CA-O 3.26Å; G321-Q372 WeakPolarHBondContact CA-O 3.3Å
322	D	94	Very high	95.5	Very high	84 Å²	84	31.9 Å²	31.9	45%	0.449	18%	0.177	S	C	.	.	S	Bend	trans	-79.1	63.3	-172.2	71.4	-26.4	0	0	0	113.1	Q372 R373	D322-Q372 PolarHBondContact N-O 2.62Å; D322-Q372 VanDerWaalsContact N-O 3.14Å; D322-R373 WeakPolarHBondContact OD1-CB 3.37Å; D322-R373 IonicContact OD1-CZ 3.66Å; D322-R373 IonicContact OD1-NE 3.81Å; D322-R373 PolarHBondContact OD1-NE 3.32Å; D322-R373 IonicContact OD1-NH2 2.71Å; D322-R373 PolarHBondContact OD1-NH2 2.99Å; D322-R373 IonicContact OD2-CZ 2.69Å; D322-R373 IonicContact OD2-NE 3.18Å; D322-R373 IonicContact OD2-NH2 3.35Å; D322-R373 PolarHBondContact OD2-NH2 2.8Å
323	V	95	Very high	95.6	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.03	20%	0.198	C	C	.	.			trans	-114.4	129.6	-177.2	178.7	0	0	0	0	110.5	V288 Y319 G321 V328 I355 R373	V288-V323 HydrophobicContact CG1-CG1 4.32Å; V288-V323 HydrophobicContact CG2-CB 4.48Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.21Å; Y319-V323 HydrophobicContact CD1-CG1 3.87Å; Y319-V323 HydrophobicContact CD1-CG2 4.22Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å; G321-V323 PolarHBondContact O-N 3.25Å; V323-V328 HydrophobicContact CG1-CG2 3.31Å; V323-I355 HydrophobicContact CB-CG2 4.34Å; V323-R373 HydrophobicContact CG2-CB 3.79Å
324	V	93.6	Very high	95.6	Very high	73 Å²	73	37.4 Å²	37.4	44%	0.442	22%	0.218	S	C	.	.			trans	-105.3	141.2	177.3	-59.7	0	0	0	0	111.4	K326 D327 V328	V324-K326 HydrophobicContact CG2-CB 4.49Å; V324-K326 PolarHBondContact O-N 3.38Å; V324-K326 VanDerWaalsContact O-N 3.08Å; V324-D327 HydrophobicContact CG2-CB 3.93Å; V324-D327 VanDerWaalsContact CG2-CG 3.43Å; V324-D327 VanDerWaalsContact CG2-OD2 3.22Å; V324-D327 WeakPolarHBondContact CG2-OD2 3.11Å; V324-D327 PolarHBondContact O-N 3.3Å; V324-D327 VanDerWaalsContact O-N 3.09Å; V324-V328 PolarHBondContact O-N 3.18Å
325	P	94.2	Very high	95.7	Very high	59 Å²	59	37 Å²	37	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-55.4	-32.1	-177.8	-26.6	31.6	0	0	0	114.7	D327 V328 N329 I355	P325-D327 PolarHBondContact O-N 3.34Å; P325-V328 PolarHBondContact O-N 3Å; P325-N329 WeakPolarHBondContact O-CB 3.22Å; P325-N329 VanDerWaalsContact O-CG 3.3Å; P325-N329 PolarHBondContact O-N 3.43Å; P325-N329 PolarHBondContact O-ND2 2.81Å; P325-N329 VanDerWaalsContact O-ND2 3.15Å; P325-I355 HydrophobicContact CB-CD1 4.18Å; P325-I355 HydrophobicContact CG-CD1 3.81Å
326	K	96.4	Very high	95.5	Very high	168 Å²	168	42.4 Å²	42.4	73%	0.73	24%	0.238	S	C	*	.	H	α-helix	trans	-59.6	-46.2	178.3	-176.9	-173.3	174.9	-171.2	0	111.9	V324 N329 A330	V324-K326 HydrophobicContact CG2-CB 4.49Å; V324-K326 PolarHBondContact O-N 3.38Å; V324-K326 VanDerWaalsContact O-N 3.08Å; K326-N329 PolarHBondContact O-N 3.12Å; K326-A330 PolarHBondContact O-N 2.91Å; K326-A330 VanDerWaalsContact O-N 3.09Å
327	D	96.8	Very high	95.4	Very high	76 Å²	76	47.5 Å²	47.5	41%	0.406	27%	0.269	S	S	.	.	H	α-helix	trans	-73.3	-35	-176.2	-64.9	-10.3	0	0	0	110.6	V288 V324 P325 A330 A331	V288-D327 HydrophobicContact CB-CB 4.04Å; V288-D327 HydrophobicContact CG1-CB 4.26Å; V288-D327 HydrophobicContact CG2-CB 4.05Å; V324-D327 HydrophobicContact CG2-CB 3.93Å; V324-D327 VanDerWaalsContact CG2-CG 3.43Å; V324-D327 VanDerWaalsContact CG2-OD2 3.22Å; V324-D327 WeakPolarHBondContact CG2-OD2 3.11Å; V324-D327 PolarHBondContact O-N 3.3Å; V324-D327 VanDerWaalsContact O-N 3.09Å; P325-D327 PolarHBondContact O-N 3.34Å; D327-A330 PolarHBondContact O-N 3.46Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 3.21Å
328	V	96.7	Very high	95.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-48.6	172.4	176.5	0	0	0	0	111.1	V288 Y319 V323 V324 P325 A330 A331 I332 V353 I355	V288-V328 HydrophobicContact CG1-CG2 3.92Å; Y319-V328 HydrophobicContact CD1-CG2 4.31Å; Y319-V328 HydrophobicContact CD2-CG1 4.13Å; Y319-V328 HydrophobicContact CD2-CG2 3.9Å; Y319-V328 HydrophobicContact CE1-CG2 4.2Å; Y319-V328 HydrophobicContact CE2-CB 4.21Å; Y319-V328 HydrophobicContact CE2-CG1 3.38Å; Y319-V328 HydrophobicContact CE2-CG2 3.76Å; Y319-V328 HydrophobicContact CG-CG2 4.18Å; V323-V328 HydrophobicContact CG1-CG2 3.31Å; V324-V328 PolarHBondContact O-N 3.18Å; P325-V328 PolarHBondContact O-N 3Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.19Å; V328-A331 PolarHBondContact O-N 3.14Å; V328-I332 HydrophobicContact CG1-CD1 3.71Å; V328-I332 HydrophobicContact CG1-CG1 4.37Å; V328-I332 WeakPolarHBondContact O-CG1 3.33Å; V328-I332 PolarHBondContact O-N 2.96Å; V328-V353 HydrophobicContact CG1-CB 4.49Å; V328-V353 HydrophobicContact CG1-CG1 3.73Å; V328-V353 HydrophobicContact CG1-CG2 3.89Å; V328-I355 HydrophobicContact CG2-CD1 4.16Å
329	N	95.5	Very high	95.1	Very high	104 Å²	104	61.2 Å²	61.2	56%	0.556	32%	0.322	S	S	*	.	H	α-helix	trans	-62	-38.9	178.8	-73.5	-33.6	0	0	0	112	P325 K326 A333	P325-N329 WeakPolarHBondContact O-CB 3.22Å; P325-N329 VanDerWaalsContact O-CG 3.3Å; P325-N329 PolarHBondContact O-N 3.43Å; P325-N329 PolarHBondContact O-ND2 2.81Å; P325-N329 VanDerWaalsContact O-ND2 3.15Å; K326-N329 PolarHBondContact O-N 3.12Å; N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.29Å; N329-A333 PolarHBondContact O-N 3.25Å
330	A	97.7	Very high	94.8	Very high	56 Å²	56	65.8 Å²	65.8	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-66.5	-41	175.4	0	0	0	0	0	112.4	K326 D327 V328 A333 T334	K326-A330 PolarHBondContact O-N 2.91Å; K326-A330 VanDerWaalsContact O-N 3.09Å; D327-A330 PolarHBondContact O-N 3.46Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.19Å; A330-A333 PolarHBondContact O-N 2.84Å; A330-T334 PolarHBondContact O-N 3.4Å; A330-T334 VanDerWaalsContact O-N 3.11Å; A330-T334 PolarHBondContact O-OG1 3.31Å
331	A	97.2	Very high	94.6	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-47.6	176.2	0	0	0	0	0	111.5	V288 A289 T292 D327 V328 A333 T334 I335	V288-A331 HydrophobicContact CG1-CB 4.4Å; A289-A331 HydrophobicContact CB-CB 4.41Å; T292-A331 HydrophobicContact CG2-CB 3.96Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 3.21Å; V328-A331 PolarHBondContact O-N 3.14Å; A331-A333 PolarHBondContact O-N 3.11Å; A331-T334 WeakPolarHBondContact O-CA 3.41Å; A331-T334 WeakPolarHBondContact O-CB 3.32Å; A331-T334 PolarHBondContact O-N 3.36Å; A331-T334 VanDerWaalsContact O-N 3.1Å; A331-I335 WeakPolarHBondContact O-CG1 3.33Å; A331-I335 PolarHBondContact O-N 2.86Å
332	I	96.2	Very high	94.5	Very high	12 Å²	12	71 Å²	71	6%	0.062	37%	0.374	C	S	.	.	H	α-helix	trans	-62.9	-41.5	177.2	-68.7	171.4	0	0	0	111.3	M317 V328 T334 I335 K336 F351 V353	M317-I332 HydrophobicContact CG-CD1 4.46Å; V328-I332 HydrophobicContact CG1-CD1 3.71Å; V328-I332 HydrophobicContact CG1-CG1 4.37Å; V328-I332 WeakPolarHBondContact O-CG1 3.33Å; V328-I332 PolarHBondContact O-N 2.96Å; I332-T334 PolarHBondContact O-N 3.06Å; I332-I335 WeakPolarHBondContact O-CB 3.44Å; I332-I335 PolarHBondContact O-N 2.91Å; I332-I335 VanDerWaalsContact O-N 3.14Å; I332-K336 HydrophobicContact CG2-CD 4.5Å; I332-K336 WeakPolarHBondContact O-CG 3.39Å; I332-K336 PolarHBondContact O-N 3.37Å; I332-F351 HydrophobicContact CD1-CB 4.43Å; I332-F351 HydrophobicContact CD1-CD1 4.01Å; I332-F351 HydrophobicContact CD1-CG 4.43Å; I332-F351 HydrophobicContact CG1-CD1 4.04Å; I332-F351 HydrophobicContact CG1-CE1 4.24Å; I332-F351 HydrophobicContact CG2-CB 4.26Å; I332-F351 HydrophobicContact CG2-CD1 3.88Å; I332-F351 HydrophobicContact CG2-CD2 3.83Å; I332-F351 HydrophobicContact CG2-CE1 4.1Å; I332-F351 HydrophobicContact CG2-CE2 4.05Å; I332-F351 HydrophobicContact CG2-CG 3.72Å; I332-F351 HydrophobicContact CG2-CZ 4.18Å; I332-V353 HydrophobicContact CD1-CG2 3.43Å; I332-V353 VanDerWaalsContact CD1-CG2 3.43Å
333	A	95.3	Very high	94.5	Very high	54 Å²	54	69.4 Å²	69.4	45%	0.446	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-38.7	174.8	0	0	0	0	0	111.4	N329 A330 A331 K336 T337	N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.29Å; N329-A333 PolarHBondContact O-N 3.25Å; A330-A333 PolarHBondContact O-N 2.84Å; A331-A333 PolarHBondContact O-N 3.11Å; A333-K336 PolarHBondContact O-N 3.15Å; A333-T337 WeakPolarHBondContact O-CG2 3.19Å
334	T	96	Very high	94.4	Very high	69 Å²	69	69.5 Å²	69.5	42%	0.423	36%	0.363	S	S	.	.	H	α-helix	trans	-66.3	-44.6	175	-54.7	0	0	0	0	111.6	A330 A331 I332 K336 T337	A330-T334 PolarHBondContact O-N 3.4Å; A330-T334 VanDerWaalsContact O-N 3.11Å; A330-T334 PolarHBondContact O-OG1 3.31Å; A331-T334 WeakPolarHBondContact O-CA 3.41Å; A331-T334 WeakPolarHBondContact O-CB 3.32Å; A331-T334 PolarHBondContact O-N 3.36Å; A331-T334 VanDerWaalsContact O-N 3.1Å; I332-T334 PolarHBondContact O-N 3.06Å; T334-K336 VanDerWaalsContact C-N 3.31Å; T334-K336 PolarHBondContact O-N 3.16Å; T334-T337 PolarHBondContact O-N 3.46Å; T334-T337 PolarHBondContact O-OG1 2.81Å
335	I	95.1	Very high	94.1	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-55.7	-45.8	176.3	-67.4	-59.5	0	0	0	111.5	T292 N293 F296 A331 I332 T337 K338 I341 F351	T292-I335 HydrophobicContact CG2-CD1 4.37Å; T292-I335 HydrophobicContact CG2-CG1 3.84Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.47Å; F296-I335 HydrophobicContact CD1-CG2 4.34Å; F296-I335 HydrophobicContact CD2-CD1 3.62Å; F296-I335 HydrophobicContact CD2-CG1 4.02Å; F296-I335 HydrophobicContact CD2-CG2 4.05Å; F296-I335 HydrophobicContact CE1-CG2 4.08Å; F296-I335 HydrophobicContact CE2-CD1 4.12Å; F296-I335 HydrophobicContact CE2-CG1 3.98Å; F296-I335 HydrophobicContact CE2-CG2 3.8Å; F296-I335 HydrophobicContact CG-CD1 4.24Å; F296-I335 HydrophobicContact CG-CG2 4.33Å; F296-I335 HydrophobicContact CZ-CG2 3.82Å; A331-I335 WeakPolarHBondContact O-CG1 3.33Å; A331-I335 PolarHBondContact O-N 2.86Å; I332-I335 WeakPolarHBondContact O-CB 3.44Å; I332-I335 PolarHBondContact O-N 2.91Å; I332-I335 VanDerWaalsContact O-N 3.14Å; I335-T337 PolarHBondContact O-N 3.42Å; I335-T337 VanDerWaalsContact O-N 3.09Å; I335-K338 HydrophobicContact CD1-CD 4.33Å; I335-K338 WeakPolarHBondContact O-CB 3.3Å; I335-K338 PolarHBondContact O-N 3.03Å; I335-I341 HydrophobicContact CD1-CD1 4.01Å; I335-I341 HydrophobicContact CG2-CD1 3.78Å; I335-I341 HydrophobicContact CG2-CG2 4.13Å; I335-F351 HydrophobicContact CB-CZ 4.43Å; I335-F351 HydrophobicContact CG2-CZ 3.73Å
336	K	92.6	Very high	93.8	Very high	114 Å²	114	71.1 Å²	71.1	50%	0.496	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-18.4	178.7	-70	-174.5	176.5	-163.5	0	114.1	I332 A333 T334 F351	I332-K336 HydrophobicContact CG2-CD 4.5Å; I332-K336 WeakPolarHBondContact O-CG 3.39Å; I332-K336 PolarHBondContact O-N 3.37Å; A333-K336 PolarHBondContact O-N 3.15Å; T334-K336 VanDerWaalsContact C-N 3.31Å; T334-K336 PolarHBondContact O-N 3.16Å; K336-F351 VanDerWaalsContact CE-CD2 3.46Å; K336-F351 HydrophobicContact CG-CE2 3.98Å
337	T	93.1	Very high	93.1	Very high	107 Å²	107	64.5 Å²	64.5	66%	0.656	33%	0.333	S	S	*	.	H	α-helix	trans	-89.1	-12.8	176.6	66.9	0	0	0	0	113.8	A333 T334 I335 R339	A333-T337 WeakPolarHBondContact O-CG2 3.19Å; T334-T337 PolarHBondContact O-N 3.46Å; T334-T337 PolarHBondContact O-OG1 2.81Å; I335-T337 PolarHBondContact O-N 3.42Å; I335-T337 VanDerWaalsContact O-N 3.09Å; T337-R339 PolarHBondContact O-N 2.96Å
338	K	93.7	Very high	91.7	Very high	61 Å²	61	65.8 Å²	65.8	27%	0.265	35%	0.346	S	S	.	.			trans	-77.9	115.9	-178.1	-72	-176.5	164.4	-173.3	0	110.4	N293 I335 T340 I341	N293-K338 VanDerWaalsContact OD1-CE 3.25Å; N293-K338 WeakPolarHBondContact OD1-CE 3.41Å; N293-K338 PolarHBondContact OD1-NZ 2.94Å; I335-K338 HydrophobicContact CD1-CD 4.33Å; I335-K338 WeakPolarHBondContact O-CB 3.3Å; I335-K338 PolarHBondContact O-N 3.03Å; K338-T340 PolarHBondContact O-N 3.18Å; K338-T340 VanDerWaalsContact O-N 3.15Å; K338-I341 HydrophobicContact CB-CB 4.42Å; K338-I341 HydrophobicContact CB-CD1 3.96Å; K338-I341 HydrophobicContact CB-CG1 4.11Å; K338-I341 HydrophobicContact CD-CD1 3.69Å; K338-I341 HydrophobicContact CG-CD1 4.44Å; K338-I341 PolarHBondContact O-N 3.5Å
339	R	90.3	Very high	90.5	Very high	235 Å²	235	71.1 Å²	71.1	89%	0.887	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.5	179.1	-63.6	-176.1	180	-170	-2	114.7	T337 I341	T337-R339 PolarHBondContact O-N 2.96Å; R339-I341 PolarHBondContact O-N 2.79Å
340	T	90.4	Very high	89.8	Confident	97 Å²	97	66.4 Å²	66.4	60%	0.595	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8.8	177.5	54.8	0	0	0	0	113	K338	K338-T340 PolarHBondContact O-N 3.18Å; K338-T340 VanDerWaalsContact O-N 3.15Å
341	I	92.9	Very high	89.5	Confident	16 Å²	16	65.3 Å²	65.3	8%	0.082	34%	0.339	C	S	.	.	S	Bend	trans	-115.5	102.8	-179.3	-55.5	176.1	0	0	0	106.4	F296 Y312 I335 K338 R339 F343	F296-I341 HydrophobicContact CB-CD1 3.55Å; F296-I341 HydrophobicContact CB-CG1 4.33Å; F296-I341 HydrophobicContact CD1-CD1 3.86Å; F296-I341 HydrophobicContact CD1-CG1 4.35Å; F296-I341 HydrophobicContact CD1-CG2 3.72Å; F296-I341 HydrophobicContact CD2-CD1 4.47Å; F296-I341 HydrophobicContact CE1-CG2 3.94Å; F296-I341 HydrophobicContact CG-CD1 3.71Å; Y312-I341 HydrophobicContact CD2-CG2 3.8Å; Y312-I341 HydrophobicContact CE2-CG2 3.76Å; I335-I341 HydrophobicContact CD1-CD1 4.01Å; I335-I341 HydrophobicContact CG2-CD1 3.78Å; I335-I341 HydrophobicContact CG2-CG2 4.13Å; K338-I341 HydrophobicContact CB-CB 4.42Å; K338-I341 HydrophobicContact CB-CD1 3.96Å; K338-I341 HydrophobicContact CB-CG1 4.11Å; K338-I341 HydrophobicContact CD-CD1 3.69Å; K338-I341 HydrophobicContact CG-CD1 4.44Å; K338-I341 PolarHBondContact O-N 3.5Å; R339-I341 PolarHBondContact O-N 2.79Å; I341-F343 HydrophobicContact CG2-CD2 4.39Å; I341-F343 HydrophobicContact CG2-CE2 3.52Å; I341-F343 HydrophobicContact CG2-CZ 3.94Å
342	Q	92.7	Very high	89.3	Confident	99 Å²	99	68.3 Å²	68.3	46%	0.463	35%	0.352	S	S	.	.			trans	-100.6	138.5	-176.9	-62	-172.6	-7.3	0	0	110.2	K311 Y312	K311-Q342 WeakPolarHBondContact CA-O 3.31Å; K311-Q342 HydrophobicContact CG-CB 4Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.42Å; Y312-Q342 PolarHBondContact N-O 3.45Å
343	F	92.9	Very high	89.2	Confident	50 Å²	50	68.7 Å²	68.7	22%	0.219	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-114.6	152.3	172.8	-69	-94.6	0	0	0	108.4	F296 Y312 I341 F351	F296-F343 HydrophobicContact CE1-CZ 4.33Å; Y312-F343 VanDerWaalsContact CB-CE1 3.49Å; Y312-F343 HydrophobicContact CD2-CZ 4.36Å; Y312-F343 HydrophobicContact CG-CE1 4.2Å; Y312-F343 HydrophobicContact CG-CZ 4.45Å; Y312-F343 VanDerWaalsContact O-CA 3.27Å; Y312-F343 WeakPolarHBondContact O-CA 3.49Å; I341-F343 HydrophobicContact CG2-CD2 4.39Å; I341-F343 HydrophobicContact CG2-CE2 3.52Å; I341-F343 HydrophobicContact CG2-CZ 3.94Å; F343-F351 HydrophobicContact CE1-CD2 4.26Å; F343-F351 AromaticContact CE1-CE2 3.55Å; F343-F351 HydrophobicContact CE1-CE2 3.55Å; F343-F351 AromaticContact CE1-CZ 3.94Å; F343-F351 HydrophobicContact CE1-CZ 3.94Å; F343-F351 AromaticContact CE2-CE2 3.93Å; F343-F351 HydrophobicContact CE2-CE2 3.93Å; F343-F351 HydrophobicContact CE2-CZ 4.2Å; F343-F351 HydrophobicContact CZ-CD2 4.33Å; F343-F351 AromaticContact CZ-CE2 3.23Å; F343-F351 HydrophobicContact CZ-CE2 3.23Å; F343-F351 AromaticContact CZ-CZ 3.35Å; F343-F351 HydrophobicContact CZ-CZ 3.35Å
344	V	92.4	Very high	89.1	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.042	34%	0.337	C	S	.	.			trans	-60.7	146	167.2	-60.9	0	0	0	0	110.4	K311 Y312 M313 W346 C347	K311-V344 HydrophobicContact CB-CG1 3.91Å; Y312-V344 PolarHBondContact O-N 2.77Å; M313-V344 HydrophobicContact CB-CG2 4.46Å; M313-V344 HydrophobicContact CG-CG1 3.82Å; M313-V344 HydrophobicContact CG-CG2 4.41Å; V344-W346 HydrophobicContact CB-CD2 4.27Å; V344-W346 HydrophobicContact CB-CG 4.41Å; V344-W346 HydrophobicContact CB-CZ2 3.99Å; V344-W346 HydrophobicContact CG1-CZ2 4.05Å; V344-W346 HydrophobicContact CG2-CD2 3.82Å; V344-W346 VanDerWaalsContact CG2-CE2 3.43Å; V344-W346 HydrophobicContact CG2-CE3 4.26Å; V344-W346 HydrophobicContact CG2-CG 4.35Å; V344-W346 HydrophobicContact CG2-CH2 3.97Å; V344-W346 HydrophobicContact CG2-CZ2 3.49Å; V344-W346 VanDerWaalsContact CG2-CZ2 3.49Å; V344-W346 HydrophobicContact CG2-CZ3 4.34Å; V344-C347 HydrophobicContact CG2-CB 3.62Å
345	D	88.3	Confident	89	Confident	66 Å²	66	63.2 Å²	63.2	35%	0.353	32%	0.317	S	S	.	.	S	Bend	trans	-75.9	-32	-176	57.1	-4.9	0	0	0	113.2	C347 S439	D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 2.81Å; D345-S439 WeakPolarHBondContact OD2-CB 3.44Å; D345-S439 PolarHBondContact OD2-N 2.65Å; D345-S439 PolarHBondContact OD2-OG 2.9Å
346	W	87.8	Confident	88.9	Confident	101 Å²	101	63.4 Å²	63.4	38%	0.383	32%	0.318	S	S	.	.	S	Bend	trans	-74	-12.7	-179.8	56.7	-101.3	0	0	0	114	P261 M313 V344 P348 V435	P261-W346 HydrophobicContact CB-CH2 3.75Å; P261-W346 HydrophobicContact CB-CZ3 4.21Å; P261-W346 HydrophobicContact CG-CH2 4.16Å; M313-W346 HydrophobicContact CB-CH2 4.11Å; M313-W346 HydrophobicContact CB-CZ2 4.27Å; M313-W346 HydrophobicContact CG-CH2 4.19Å; M313-W346 HydrophobicContact CG-CZ2 3.88Å; M313-W346 HydrophobicContact SD-CZ2 4.35Å; V344-W346 HydrophobicContact CB-CD2 4.27Å; V344-W346 HydrophobicContact CB-CG 4.41Å; V344-W346 HydrophobicContact CB-CZ2 3.99Å; V344-W346 HydrophobicContact CG1-CZ2 4.05Å; V344-W346 HydrophobicContact CG2-CD2 3.82Å; V344-W346 VanDerWaalsContact CG2-CE2 3.43Å; V344-W346 HydrophobicContact CG2-CE3 4.26Å; V344-W346 HydrophobicContact CG2-CG 4.35Å; V344-W346 HydrophobicContact CG2-CH2 3.97Å; V344-W346 HydrophobicContact CG2-CZ2 3.49Å; V344-W346 VanDerWaalsContact CG2-CZ2 3.49Å; V344-W346 HydrophobicContact CG2-CZ3 4.34Å; W346-P348 VanDerWaalsContact O-CD 3.28Å; W346-P348 WeakPolarHBondContact O-CD 3.35Å; W346-V435 HydrophobicContact CH2-CG1 4.33Å; W346-V435 HydrophobicContact CZ2-CG1 3.35Å; W346-V435 PolarHBondContact NE1-O 3.04Å
347	C	81.7	Confident	88.9	Confident	28 Å²	28	64.7 Å²	64.7	19%	0.189	32%	0.321	C	S	.	.			trans	-114	84.2	176.2	-164.1	0	0	0	0	112.5	V344 D345 T349 G350	V344-C347 HydrophobicContact CG2-CB 3.62Å; D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 2.81Å; C347-T349 VanDerWaalsContact C-N 3.25Å; C347-T349 PolarHBondContact O-N 2.79Å; C347-G350 PolarHBondContact O-N 3.21Å
348	P	67.9	Low	88.8	Confident	104 Å²	104	63.2 Å²	63.2	68%	0.675	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.4	-177.1	26.5	-34.7	0	0	0	113.3	W346	W346-P348 VanDerWaalsContact O-CD 3.28Å; W346-P348 WeakPolarHBondContact O-CD 3.35Å
349	T	69.9	Low	88.8	Confident	112 Å²	112	61.9 Å²	61.9	69%	0.687	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	36.9	-176.8	56.2	0	0	0	0	112.4	C347 F351	C347-T349 VanDerWaalsContact C-N 3.25Å; C347-T349 PolarHBondContact O-N 2.79Å; T349-F351 PolarHBondContact O-N 3.37Å
350	G	82	Confident	89.1	Confident	5 Å²	5	50.9 Å²	50.9	5%	0.052	26%	0.263	C	S	.	.			trans	-60.1	11.6	-174.8	0	0	0	0	0	117.5	A314 C315 C347	A314-G350 CarbonylContact C-O 3.52Å; C315-G350 WeakPolarHBondContact CB-O 3.48Å; C315-G350 PolarHBondContact N-O 2.81Å; C347-G350 PolarHBondContact O-N 3.21Å
351	F	92	Very high	89.3	Confident	33 Å²	33	47.8 Å²	47.8	15%	0.145	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128	175	-75.3	-94.6	0	0	0	112.1	F296 C315 M317 I332 I335 K336 F343 T349	F296-F351 HydrophobicContact CE1-CZ 4.46Å; F296-F351 HydrophobicContact CE2-CE1 4.21Å; F296-F351 HydrophobicContact CE2-CZ 4.5Å; F296-F351 AromaticContact CZ-CE1 3.64Å; F296-F351 HydrophobicContact CZ-CE1 3.64Å; F296-F351 AromaticContact CZ-CZ 3.77Å; F296-F351 HydrophobicContact CZ-CZ 3.77Å; C315-F351 HydrophobicContact CB-CD1 3.89Å; C315-F351 HydrophobicContact CB-CE1 3.92Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.47Å; C315-F351 CarbonylContact O-C 3.55Å; C315-F351 VanDerWaalsContact O-CA 3.26Å; C315-F351 WeakPolarHBondContact O-CA 3.39Å; M317-F351 HydrophobicContact CG-CD1 3.94Å; M317-F351 HydrophobicContact CG-CE1 4.31Å; M317-F351 HydrophobicContact SD-CD1 4.45Å; M317-F351 HydrophobicContact SD-CE1 4.28Å; I332-F351 HydrophobicContact CD1-CB 4.43Å; I332-F351 HydrophobicContact CD1-CD1 4.01Å; I332-F351 HydrophobicContact CD1-CG 4.43Å; I332-F351 HydrophobicContact CG1-CD1 4.04Å; I332-F351 HydrophobicContact CG1-CE1 4.24Å; I332-F351 HydrophobicContact CG2-CB 4.26Å; I332-F351 HydrophobicContact CG2-CD1 3.88Å; I332-F351 HydrophobicContact CG2-CD2 3.83Å; I332-F351 HydrophobicContact CG2-CE1 4.1Å; I332-F351 HydrophobicContact CG2-CE2 4.05Å; I332-F351 HydrophobicContact CG2-CG 3.72Å; I332-F351 HydrophobicContact CG2-CZ 4.18Å; I335-F351 HydrophobicContact CB-CZ 4.43Å; I335-F351 HydrophobicContact CG2-CZ 3.73Å; K336-F351 VanDerWaalsContact CE-CD2 3.46Å; K336-F351 HydrophobicContact CG-CE2 3.98Å; F343-F351 HydrophobicContact CE1-CD2 4.26Å; F343-F351 AromaticContact CE1-CE2 3.55Å; F343-F351 HydrophobicContact CE1-CE2 3.55Å; F343-F351 AromaticContact CE1-CZ 3.94Å; F343-F351 HydrophobicContact CE1-CZ 3.94Å; F343-F351 AromaticContact CE2-CE2 3.93Å; F343-F351 HydrophobicContact CE2-CE2 3.93Å; F343-F351 HydrophobicContact CE2-CZ 4.2Å; F343-F351 HydrophobicContact CZ-CD2 4.33Å; F343-F351 AromaticContact CZ-CE2 3.23Å; F343-F351 HydrophobicContact CZ-CE2 3.23Å; F343-F351 AromaticContact CZ-CZ 3.35Å; F343-F351 HydrophobicContact CZ-CZ 3.35Å; T349-F351 PolarHBondContact O-N 3.37Å
352	K	92.3	Very high	89.2	Confident	64 Å²	64	48.5 Å²	48.5	28%	0.278	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.1	163.1	-177.2	71.7	175.7	-154.8	0	108.7	E254 N258 C315 C316 M317	E254-K352 WeakPolarHBondContact OE2-CE 3.48Å; E254-K352 IonicContact OE2-NZ 3.19Å; E254-K352 PolarHBondContact OE2-NZ 3.34Å; N258-K352 HydrophobicContact CB-CB 4.38Å; N258-K352 HydrophobicContact CB-CG 4.42Å; C315-K352 PolarHBondContact O-N 3.1Å; C316-K352 CarbonylContact C-O 3.59Å; C316-K352 WeakPolarHBondContact CA-O 3.29Å; C316-K352 HydrophobicContact CB-CB 4.44Å; M317-K352 PolarHBondContact N-O 2.99Å
353	V	93.2	Very high	89.2	Confident	21 Å²	21	44.7 Å²	44.7	13%	0.127	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.6	-178.1	175.8	0	0	0	0	109.4	L248 M317 Y319 V328 I332 I355	L248-V353 VanDerWaalsContact CB-O 3.25Å; L248-V353 WeakPolarHBondContact CB-O 3.44Å; L248-V353 HydrophobicContact CD1-CB 4.36Å; L248-V353 HydrophobicContact CD1-CG1 4.23Å; M317-V353 WeakPolarHBondContact O-CA 3.37Å; Y319-V353 HydrophobicContact CD2-CG1 4.14Å; Y319-V353 HydrophobicContact CE2-CG1 4.23Å; V328-V353 HydrophobicContact CG1-CB 4.49Å; V328-V353 HydrophobicContact CG1-CG1 3.73Å; V328-V353 HydrophobicContact CG1-CG2 3.89Å; I332-V353 HydrophobicContact CD1-CG2 3.43Å; I332-V353 VanDerWaalsContact CD1-CG2 3.43Å; V353-I355 HydrophobicContact CG1-CD1 4.24Å; V353-I355 HydrophobicContact CG1-CG1 3.95Å
354	G	93.3	Very high	89.1	Confident	6 Å²	6	47.2 Å²	47.2	6%	0.062	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.8	164.8	0	0	0	0	0	110.2	L248 M317 Y319	L248-G354 WeakPolarHBondContact O-CA 3.49Å; M317-G354 PolarHBondContact O-N 3.27Å; Y319-G354 PolarHBondContact N-O 3.01Å
355	I	94.6	Very high	88.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114.5	178.8	-60	170.4	0	0	0	109	G246 A247 Y319 V323 P325 V328 V353 Y357	G246-I355 CarbonylContact C-O 3.45Å; G246-I355 WeakPolarHBondContact CA-O 3.45Å; A247-I355 PolarHBondContact N-O 3.45Å; A247-I355 PolarHBondContact O-N 3.02Å; Y319-I355 HydrophobicContact CD2-CG1 4.41Å; V323-I355 HydrophobicContact CB-CG2 4.34Å; P325-I355 HydrophobicContact CB-CD1 4.18Å; P325-I355 HydrophobicContact CG-CD1 3.81Å; V328-I355 HydrophobicContact CG2-CD1 4.16Å; V353-I355 HydrophobicContact CG1-CD1 4.24Å; V353-I355 HydrophobicContact CG1-CG1 3.95Å; I355-Y357 HydrophobicContact CG2-CD1 4.39Å; I355-Y357 HydrophobicContact CG2-CE1 4.26Å
356	N	92.9	Very high	88.7	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.027	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.5	172	-160.6	-84.3	0	0	0	110.6	A240 F244 D245 Y319 R320 G321 Q358	A240-N356 HydrophobicContact CB-CB 4.21Å; A240-N356 PolarHBondContact O-ND2 2.87Å; F244-N356 VanDerWaalsContact CB-ND2 3.34Å; F244-N356 WeakPolarHBondContact CB-ND2 3.47Å; F244-N356 WeakPolarHBondContact CB-OD1 3.28Å; F244-N356 PolarHBondContact O-ND2 3.16Å; D245-N356 PolarHBondContact O-ND2 2.88Å; Y319-N356 PolarHBondContact O-N 2.88Å; R320-N356 CarbonylContact C-O 3.59Å; R320-N356 WeakPolarHBondContact CA-O 3.48Å; G321-N356 PolarHBondContact N-O 3.22Å; N356-Q358 VanDerWaalsContact C-N 3.28Å; N356-Q358 PolarHBondContact O-N 2.62Å; N356-Q358 VanDerWaalsContact OD1-CB 3.25Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.48Å; N356-Q358 PolarHBondContact OD1-N 2.7Å
357	Y	91.7	Very high	88.8	Confident	140 Å²	140	46.5 Å²	46.5	55%	0.549	28%	0.283	S	S	.	.	S	Bend	trans	-76.6	-17	-177	-56.4	-46.6	0	0	0	113.4	I355 P359	I355-Y357 HydrophobicContact CG2-CD1 4.39Å; I355-Y357 HydrophobicContact CG2-CE1 4.26Å; Y357-P359 WeakPolarHBondContact O-CD 3.2Å
358	Q	92	Very high	89.3	Confident	76 Å²	76	46.4 Å²	46.4	36%	0.355	28%	0.28	S	S	.	.	S	Bend	trans	-75.9	118.8	177.3	-172.6	64.2	11	0	0	109.8	F244 R320 G321 N356	F244-Q358 HydrophobicContact CB-CB 4.49Å; F244-Q358 HydrophobicContact CD2-CB 4.29Å; F244-Q358 HydrophobicContact CD2-CG 4.45Å; F244-Q358 HydrophobicContact CE2-CG 4.45Å; F244-Q358 HydrophobicContact CG-CB 4.22Å; R320-Q358 PolarHBondContact NE-O 3.04Å; R320-Q358 PolarHBondContact NH2-O 3.16Å; G321-Q358 PolarHBondContact N-O 2.72Å; N356-Q358 VanDerWaalsContact C-N 3.28Å; N356-Q358 PolarHBondContact O-N 2.62Å; N356-Q358 VanDerWaalsContact OD1-CB 3.25Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.48Å; N356-Q358 PolarHBondContact OD1-N 2.7Å
359	P	94.5	Very high	90.4	Very high	33 Å²	33	41.8 Å²	41.8	21%	0.214	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-63.5	158.7	174.7	27.7	-34.5	0	0	0	111	R320 Y357	R320-P359 PolarHBondContact NH2-O 3.31Å; Y357-P359 WeakPolarHBondContact O-CD 3.2Å
360	P	94.7	Very high	91.5	Very high	4 Å²	4	44 Å²	44	3%	0.026	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-59.6	140.7	174	-19	30.9	0	0	0	111.4	Y272 R320 V371 A374	Y272-P360 WeakPolarHBondContact OH-CB 3.43Å; Y272-P360 WeakPolarHBondContact OH-CG 3.23Å; R320-P360 HydrophobicContact CB-CG 3.84Å; R320-P360 HydrophobicContact CG-CG 4.41Å; P360-V371 HydrophobicContact CB-CG2 4.49Å; P360-V371 HydrophobicContact CG-CG2 4.07Å; P360-A374 HydrophobicContact CG-CB 3.47Å; P360-A374 VanDerWaalsContact CG-CB 3.47Å
361	T	94.6	Very high	92	Very high	33 Å²	33	44.2 Å²	44.2	20%	0.202	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-94.7	150.6	169.8	-62.4	0	0	0	0	109.5	L23 L26 E27 Q233	L23-T361 HydrophobicContact CD1-CG2 4.2Å; L23-T361 WeakPolarHBondContact CD1-O 3.42Å; L26-T361 HydrophobicContact CB-CG2 3.75Å; E27-T361 HydrophobicContact CG-CG2 4.39Å; E27-T361 WeakPolarHBondContact CG-OG1 3.3Å; Q233-T361 PolarHBondContact NE2-O 2.92Å
362	V	91.9	Very high	92.1	Very high	30 Å²	30	48.2 Å²	48.2	18%	0.182	27%	0.271	C	S	.	.			trans	-124.4	149.8	175.3	-65	0	0	0	0	109.8	L368 A369 K370	V362-L368 HydrophobicContact CG1-CB 3.93Å; V362-A369 WeakPolarHBondContact CG1-O 3.23Å; V362-K370 HydrophobicContact CG2-CB 4.02Å
363	V	92.2	Very high	92.2	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.115	27%	0.268	C	S	.	.			trans	-68.1	126.7	175.5	-178	0	0	0	0	108.7	E22 L26 G365 G366	E22-V363 HydrophobicContact CG-CG1 4.47Å; E22-V363 HydrophobicContact CG-CG2 4Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.48Å; L26-V363 HydrophobicContact CD1-CB 4.37Å; L26-V363 HydrophobicContact CD1-CG2 4.08Å; V363-G365 PolarHBondContact O-N 3.44Å; V363-G366 WeakPolarHBondContact O-CA 3.37Å; V363-G366 PolarHBondContact O-N 3.37Å
364	P	90.1	Very high	92.4	Very high	104 Å²	104	47.1 Å²	47.1	68%	0.675	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	130	176.3	-26.6	35	0	0	0	111.9	G366	P364-G366 PolarHBondContact O-N 3.44Å
365	G	86.5	Confident	92.6	Very high	88 Å²	88	46.8 Å²	46.8	91%	0.907	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	8.6	-175.4	0	0	0	0	0	114.7	V363	V363-G365 PolarHBondContact O-N 3.44Å
366	G	87.5	Confident	92.7	Very high	18 Å²	18	46.8 Å²	46.8	19%	0.186	26%	0.259	C	S	.	.			trans	-78.2	174.1	170.9	0	0	0	0	0	113.2	V363 P364	V363-G366 WeakPolarHBondContact O-CA 3.37Å; V363-G366 PolarHBondContact O-N 3.37Å; P364-G366 PolarHBondContact O-N 3.44Å
367	D	89	Confident	92.9	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.283	26%	0.258	S	S	.	.	S	Bend	trans	-81.4	-22.9	-171.9	-42.4	-83.5	0	0	0	113.7	L217 I219 N226 R229 S277	L217-D367 HydrophobicContact CD1-CB 4.26Å; I219-D367 HydrophobicContact CD1-CB 3.84Å; N226-D367 VanDerWaalsContact ND2-CG 3.32Å; N226-D367 PolarHBondContact ND2-OD1 2.86Å; N226-D367 PolarHBondContact ND2-OD2 3.3Å; R229-D367 IonicContact NH1-OD2 3.48Å; S277-D367 WeakPolarHBondContact CA-O 3.1Å
368	L	92.1	Very high	93.1	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.131	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-80.9	133	-179.7	-70.4	169	0	0	0	110.9	L217 Q233 V275 V362	L217-L368 HydrophobicContact CD1-CD2 4.26Å; L217-L368 HydrophobicContact CD2-CD2 3.9Å; Q233-L368 HydrophobicContact CG-CD1 3.71Å; V275-L368 HydrophobicContact CG1-CD2 4.15Å; V362-L368 HydrophobicContact CG1-CB 3.93Å
369	A	91.6	Very high	93.3	Very high	8 Å²	8	36.2 Å²	36.2	7%	0.066	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.5	148.5	172.1	0	0	0	0	0	112	I276 A281 V362 V371	I276-A369 HydrophobicContact CG2-CB 3.95Å; I276-A369 PolarHBondContact O-N 3.2Å; A281-A369 HydrophobicContact CB-CB 3.41Å; A281-A369 VanDerWaalsContact CB-CB 3.41Å; V362-A369 WeakPolarHBondContact CG1-O 3.23Å; A369-V371 PolarHBondContact O-N 2.87Å
370	K	91.7	Very high	93.3	Very high	158 Å²	158	34.7 Å²	34.7	69%	0.687	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-69.4	121.7	165.9	-173.8	175.4	-177.2	175.2	0	109.4	V362	V362-K370 HydrophobicContact CG2-CB 4.02Å
371	V	93.5	Very high	93.4	Very high	10 Å²	10	34.5 Å²	34.5	6%	0.061	20%	0.204	C	C	.	.			trans	-118.4	151.4	179.8	-64.3	0	0	0	0	111.2	P274 I276 L286 P360 A369 R373 A374	P274-V371 HydrophobicContact CG-CG1 4.03Å; I276-V371 HydrophobicContact CG2-CG1 4.04Å; L286-V371 HydrophobicContact CD1-CB 4.37Å; L286-V371 HydrophobicContact CD1-CG1 3.78Å; P360-V371 HydrophobicContact CB-CG2 4.49Å; P360-V371 HydrophobicContact CG-CG2 4.07Å; A369-V371 PolarHBondContact O-N 2.87Å; V371-R373 WeakPolarHBondContact CG2-O 3.1Å; V371-A374 HydrophobicContact CG2-CB 4.4Å
372	Q	93.2	Very high	93.4	Very high	117 Å²	117	33.8 Å²	33.8	55%	0.547	20%	0.199	S	C	.	.	S	Bend	trans	-82.6	-18.8	177.1	-62.9	-57.7	-42.4	0	0	112.8	G321 D322	G321-Q372 VanDerWaalsContact CA-O 3.26Å; G321-Q372 WeakPolarHBondContact CA-O 3.3Å; D322-Q372 PolarHBondContact N-O 2.62Å; D322-Q372 VanDerWaalsContact N-O 3.14Å
373	R	95.6	Very high	93.6	Very high	61 Å²	61	32.4 Å²	32.4	23%	0.23	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.7	175.6	63.2	-171.2	80.2	119.5	-3.6	112.4	L286 I291 R320 D322 V323 V371	L286-R373 WeakPolarHBondContact O-CD 3.21Å; L286-R373 PolarHBondContact O-NH1 2.83Å; I291-R373 HydrophobicContact CD1-CG 4.09Å; R320-R373 WeakPolarHBondContact O-CA 3.37Å; R320-R373 WeakPolarHBondContact O-CB 3.22Å; D322-R373 WeakPolarHBondContact OD1-CB 3.37Å; D322-R373 IonicContact OD1-CZ 3.66Å; D322-R373 IonicContact OD1-NE 3.81Å; D322-R373 PolarHBondContact OD1-NE 3.32Å; D322-R373 IonicContact OD1-NH2 2.71Å; D322-R373 PolarHBondContact OD1-NH2 2.99Å; D322-R373 IonicContact OD2-CZ 2.69Å; D322-R373 IonicContact OD2-NE 3.18Å; D322-R373 IonicContact OD2-NH2 3.35Å; D322-R373 PolarHBondContact OD2-NH2 2.8Å; V323-R373 HydrophobicContact CG2-CB 3.79Å; V371-R373 WeakPolarHBondContact CG2-O 3.1Å
374	A	96.9	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	171.4	169.8	0	0	0	0	0	109.9	Y272 A273 Y319 R320 P360 V371	Y272-A374 HydrophobicContact CE1-CB 4.2Å; Y272-A374 HydrophobicContact CE2-CB 4.15Å; Y272-A374 VanDerWaalsContact OH-CB 3.3Å; Y272-A374 WeakPolarHBondContact OH-CB 3.34Å; A273-A374 CarbonylContact O-C 3.57Å; A273-A374 VanDerWaalsContact O-CA 3.25Å; A273-A374 WeakPolarHBondContact O-CA 3.26Å; A273-A374 WeakPolarHBondContact O-CB 3.45Å; Y319-A374 CarbonylContact C-O 3.45Å; Y319-A374 WeakPolarHBondContact CA-O 3.16Å; R320-A374 PolarHBondContact N-O 3.39Å; R320-A374 PolarHBondContact O-N 3.2Å; P360-A374 HydrophobicContact CG-CB 3.47Å; P360-A374 VanDerWaalsContact CG-CB 3.47Å; V371-A374 HydrophobicContact CG2-CB 4.4Å
375	V	97.5	Very high	94	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.5	174	58.9	0	0	0	0	109.6	A273 I291 C295 M317 L318 Y319	A273-V375 HydrophobicContact CB-CG1 4.18Å; A273-V375 PolarHBondContact N-O 2.77Å; A273-V375 PolarHBondContact O-N 2.78Å; I291-V375 HydrophobicContact CB-CG1 3.88Å; I291-V375 HydrophobicContact CD1-CB 4.26Å; I291-V375 HydrophobicContact CD1-CG1 3.97Å; I291-V375 HydrophobicContact CG1-CB 4.47Å; I291-V375 HydrophobicContact CG1-CG1 3.71Å; C295-V375 VanDerWaalsContact SG-CG1 3.56Å; M317-V375 HydrophobicContact CB-CG2 4.38Å; M317-V375 HydrophobicContact CE-CG2 3.72Å; L318-V375 WeakPolarHBondContact O-CA 3.48Å; Y319-V375 HydrophobicContact CD1-CB 3.61Å; Y319-V375 HydrophobicContact CD1-CG2 3.73Å; Y319-V375 HydrophobicContact CD2-CG2 4.23Å; Y319-V375 HydrophobicContact CE1-CB 3.67Å; Y319-V375 HydrophobicContact CE1-CG1 4.25Å; Y319-V375 HydrophobicContact CE1-CG2 3.58Å; Y319-V375 HydrophobicContact CE2-CG2 4.1Å; Y319-V375 HydrophobicContact CG-CB 4.26Å; Y319-V375 HydrophobicContact CG-CG2 4.04Å
376	C	97.3	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.1	165.3	174	0	0	0	0	107.7	I234 T271 Y272 L318	I234-C376 HydrophobicContact CD1-CB 4.37Å; I234-C376 WeakPolarHBondContact CD1-SG 3.48Å; T271-C376 CarbonylContact O-C 3.56Å; T271-C376 WeakPolarHBondContact O-CA 3.38Å; Y272-C376 HydrophobicContact CD2-CB 4.13Å; L318-C376 HydrophobicContact CB-CB 4.21Å; L318-C376 WeakPolarHBondContact CB-O 3.41Å; L318-C376 PolarHBondContact N-O 3.18Å; L318-C376 PolarHBondContact O-N 3.05Å
377	M	97	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.2	172.8	-179	177.4	80.8	0	0	109	A270 T271 C295 F296 Y312 C316 M317	A270-M377 CarbonylContact C-O 3.52Å; A270-M377 WeakPolarHBondContact CA-O 3.32Å; T271-M377 PolarHBondContact N-O 3.22Å; T271-M377 PolarHBondContact O-N 3.33Å; C295-M377 HydrophobicContact CB-CB 3.89Å; C295-M377 HydrophobicContact CB-CE 4.22Å; C295-M377 HydrophobicContact CB-SD 3.96Å; C295-M377 WeakPolarHBondContact O-CE 3.22Å; F296-M377 HydrophobicContact CD1-CE 4.36Å; F296-M377 HydrophobicContact CD1-SD 4.23Å; F296-M377 HydrophobicContact CD2-SD 4.15Å; F296-M377 HydrophobicContact CE1-CE 4.29Å; F296-M377 HydrophobicContact CE1-SD 3.72Å; F296-M377 HydrophobicContact CE2-SD 3.61Å; F296-M377 HydrophobicContact CG-SD 4.42Å; F296-M377 HydrophobicContact CZ-CE 4.47Å; F296-M377 HydrophobicContact CZ-SD 3.36Å; F296-M377 WeakPolarHBondContact CZ-SD 3.36Å; Y312-M377 HydrophobicContact CE1-CE 4.46Å; C316-M377 WeakPolarHBondContact O-CA 3.5Å; M317-M377 HydrophobicContact CE-CB 4.18Å; M317-M377 HydrophobicContact CE-CG 4.37Å; M317-M377 HydrophobicContact CE-SD 4.36Å; M317-M377 HydrophobicContact SD-CB 3.93Å; M317-M377 HydrophobicContact SD-CG 3.55Å; M317-M377 VanDerWaalsContact SD-CG 3.55Å; M317-M377 HydrophobicContact SD-SD 3.72Å
378	L	95.9	Very high	94.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.2	167.1	-52.5	170	0	0	0	107.1	F202 I238 F255 L259 L269 A270 C315 C316 L318	F202-L378 HydrophobicContact CD1-CD1 4.22Å; F202-L378 HydrophobicContact CD1-CD2 3.88Å; F202-L378 HydrophobicContact CD1-CG 4.49Å; F202-L378 HydrophobicContact CE1-CD1 3.63Å; F202-L378 HydrophobicContact CE1-CD2 4.17Å; F202-L378 HydrophobicContact CE1-CG 4.32Å; F202-L378 HydrophobicContact CG-CD2 4.5Å; F202-L378 HydrophobicContact CZ-CD1 4.04Å; I238-L378 HydrophobicContact CD1-CD1 3.75Å; I238-L378 HydrophobicContact CD1-CD2 3.5Å; I238-L378 HydrophobicContact CD1-CG 4.19Å; I238-L378 HydrophobicContact CG1-CD1 3.94Å; I238-L378 HydrophobicContact CG1-CD2 4.1Å; I238-L378 HydrophobicContact CG1-CG 4.45Å; F255-L378 HydrophobicContact CD1-CD1 3.82Å; F255-L378 HydrophobicContact CE1-CD1 3.54Å; F255-L378 HydrophobicContact CZ-CD1 4.39Å; L259-L378 HydrophobicContact CD1-CB 3.8Å; L259-L378 HydrophobicContact CD1-CD1 4.09Å; L259-L378 HydrophobicContact CD2-CB 4.42Å; L259-L378 WeakPolarHBondContact CD2-O 3.43Å; L269-L378 CarbonylContact O-C 3.55Å; L269-L378 WeakPolarHBondContact O-CA 3.49Å; A270-L378 HydrophobicContact CB-CD2 4.25Å; C315-L378 CarbonylContact C-O 3.27Å; C315-L378 WeakPolarHBondContact CA-O 3.23Å; C316-L378 HydrophobicContact CB-CB 4.28Å; C316-L378 PolarHBondContact N-O 3Å; C316-L378 PolarHBondContact O-N 3.28Å; L318-L378 HydrophobicContact CD1-CD1 3.98Å; L318-L378 HydrophobicContact CD1-CG 4.46Å
379	S	95.6	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.1	-174.6	60.2	0	0	0	0	111.4	P268 L269 A314	P268-S379 WeakPolarHBondContact CA-O 3.45Å; L269-S379 PolarHBondContact N-O 3.01Å; L269-S379 PolarHBondContact O-N 2.89Å; A314-S379 CarbonylContact O-C 3.58Å; A314-S379 VanDerWaalsContact O-CA 3.25Å; A314-S379 WeakPolarHBondContact O-CA 3.17Å
380	N	95.5	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.8	168.7	-159.7	-11.3	0	0	0	108.3	L259 I265 P268 M313 A314	L259-N380 VanDerWaalsContact O-CB 3.24Å; L259-N380 WeakPolarHBondContact O-CB 3.35Å; L259-N380 PolarHBondContact O-ND2 3.41Å; I265-N380 PolarHBondContact O-ND2 3.42Å; P268-N380 HydrophobicContact CG-CB 4.45Å; M313-N380 HydrophobicContact CE-CB 4.24Å; M313-N380 WeakPolarHBondContact CE-OD1 3.04Å; M313-N380 PolarHBondContact N-O 3.41Å; A314-N380 PolarHBondContact N-O 3.03Å; A314-N380 PolarHBondContact O-N 3.44Å
381	T	95.5	Very high	95.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.3	-174	176.5	0	0	0	0	110.6	L269 K311 A383 I384	L269-T381 HydrophobicContact CD1-CG2 3.35Å; L269-T381 HydrophobicContact CG-CG2 3.82Å; K311-T381 VanDerWaalsContact O-CA 3.24Å; K311-T381 WeakPolarHBondContact O-CA 3.47Å; K311-T381 PolarHBondContact O-OG1 2.97Å; T381-A383 HydrophobicContact CG2-CB 4.06Å; T381-A383 PolarHBondContact O-N 2.94Å; T381-A383 PolarHBondContact OG1-N 2.88Å; T381-I384 VanDerWaalsContact O-CG2 3.23Å; T381-I384 WeakPolarHBondContact O-CG2 3.43Å; T381-I384 PolarHBondContact O-N 3.42Å
382	T	96	Very high	95.5	Very high	17 Å²	17	19.4 Å²	19.4	10%	0.104	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-66.7	-13.9	176.2	63.7	0	0	0	0	113	G310 K311 M313 I384 A385 Y432	G310-T382 VanDerWaalsContact CA-OG1 3.26Å; G310-T382 WeakPolarHBondContact CA-OG1 3.25Å; K311-T382 PolarHBondContact N-OG1 3.48Å; K311-T382 PolarHBondContact O-N 3.3Å; M313-T382 HydrophobicContact CE-CG2 4.1Å; M313-T382 HydrophobicContact SD-CG2 4.38Å; T382-I384 PolarHBondContact O-N 3.12Å; T382-I384 VanDerWaalsContact O-N 3.15Å; T382-A385 VanDerWaalsContact O-CB 3.25Å; T382-A385 WeakPolarHBondContact O-CB 3.42Å; T382-A385 PolarHBondContact O-N 3.34Å; T382-Y432 WeakPolarHBondContact CG2-O 3.07Å
383	A	95.7	Very high	95.6	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.017	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-61.7	-20.6	175.2	0	0	0	0	0	113.6	C305 D306 T381 A385 E386	C305-A383 WeakPolarHBondContact CB-O 3.03Å; D306-A383 WeakPolarHBondContact O-CB 3.42Å; T381-A383 HydrophobicContact CG2-CB 4.06Å; T381-A383 PolarHBondContact O-N 2.94Å; T381-A383 PolarHBondContact OG1-N 2.88Å; A383-A385 PolarHBondContact O-N 3.17Å; A383-E386 WeakPolarHBondContact O-CB 3.42Å; A383-E386 PolarHBondContact O-N 3.49Å
384	I	95.5	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-62.4	-22.2	174.2	-168.8	66.4	0	0	0	112.3	L269 V303 T381 T382 E386 A387 W388 Y432	L269-I384 HydrophobicContact CD2-CB 4.37Å; L269-I384 HydrophobicContact CD2-CD1 3.54Å; L269-I384 HydrophobicContact CD2-CG1 4.34Å; V303-I384 HydrophobicContact CG1-CD1 4.17Å; T381-I384 VanDerWaalsContact O-CG2 3.23Å; T381-I384 WeakPolarHBondContact O-CG2 3.43Å; T381-I384 PolarHBondContact O-N 3.42Å; T382-I384 PolarHBondContact O-N 3.12Å; T382-I384 VanDerWaalsContact O-N 3.15Å; I384-E386 PolarHBondContact O-N 2.93Å; I384-E386 VanDerWaalsContact O-N 3.14Å; I384-A387 HydrophobicContact CD1-CB 3.85Å; I384-A387 WeakPolarHBondContact O-CA 3.24Å; I384-A387 VanDerWaalsContact O-CB 3.26Å; I384-A387 WeakPolarHBondContact O-CB 3.39Å; I384-A387 PolarHBondContact O-N 2.81Å; I384-W388 HydrophobicContact CD1-CZ2 4.18Å; I384-W388 HydrophobicContact CG1-CZ2 3.54Å; I384-W388 PolarHBondContact O-N 2.97Å; I384-Y432 HydrophobicContact CG2-CD1 3.75Å; I384-Y432 HydrophobicContact CG2-CD2 4.11Å; I384-Y432 HydrophobicContact CG2-CE1 3.33Å; I384-Y432 HydrophobicContact CG2-CE2 3.78Å; I384-Y432 HydrophobicContact CG2-CG 4.11Å
385	A	94.7	Very high	95.6	Very high	18 Å²	18	19.5 Å²	19.5	15%	0.149	10%	0.1	C	C	.	.	H	α-helix	trans	-55.1	-31.1	173.9	0	0	0	0	0	112.7	T382 A383 A387 W388 A389	T382-A385 VanDerWaalsContact O-CB 3.25Å; T382-A385 WeakPolarHBondContact O-CB 3.42Å; T382-A385 PolarHBondContact O-N 3.34Å; A383-A385 PolarHBondContact O-N 3.17Å; A385-A387 PolarHBondContact O-N 2.86Å; A385-W388 PolarHBondContact O-N 3.11Å; A385-A389 WeakPolarHBondContact O-CB 3.48Å; A385-A389 PolarHBondContact O-N 3.46Å
386	E	93.6	Very high	95.6	Very high	59 Å²	59	22.6 Å²	22.6	28%	0.276	12%	0.117	S	C	.	.	H	α-helix	trans	-63.3	-31.5	173.7	-61.9	-171.1	150.6	0	0	113	D306 H309 A383 I384 R390	D306-E386 PolarHBondContact N-OE2 3Å; H309-E386 WeakPolarHBondContact CB-OE1 3.39Å; H309-E386 IonicContact CE1-OE1 3.22Å; H309-E386 IonicContact CG-OE1 3.93Å; H309-E386 IonicContact ND1-OE1 2.62Å; H309-E386 PolarHBondContact ND1-OE1 3.14Å; A383-E386 WeakPolarHBondContact O-CB 3.42Å; A383-E386 PolarHBondContact O-N 3.49Å; I384-E386 PolarHBondContact O-N 2.93Å; I384-E386 VanDerWaalsContact O-N 3.14Å; E386-R390 VanDerWaalsContact O-CG 3.3Å; E386-R390 WeakPolarHBondContact O-CG 2.94Å; E386-R390 PolarHBondContact O-N 2.88Å; E386-R390 PolarHBondContact O-NH1 3.13Å; E386-R390 VanDerWaalsContact O-NH1 3.14Å
387	A	94	Very high	95.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-72.3	-43.6	178.3	0	0	0	0	0	110.8	Y172 I384 A385 L391	Y172-A387 HydrophobicContact CD1-CB 4.5Å; Y172-A387 HydrophobicContact CE1-CB 3.91Å; I384-A387 HydrophobicContact CD1-CB 3.85Å; I384-A387 WeakPolarHBondContact O-CA 3.24Å; I384-A387 VanDerWaalsContact O-CB 3.26Å; I384-A387 WeakPolarHBondContact O-CB 3.39Å; I384-A387 PolarHBondContact O-N 2.81Å; A385-A387 PolarHBondContact O-N 2.86Å; A387-L391 PolarHBondContact O-N 2.97Å
388	W	95.3	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-51.1	173.8	-51	141.5	0	0	0	111.2	Y172 M203 F267 I384 A385 R390 L391 D392 L425 E429 Y432	Y172-W388 HydrophobicContact CD2-CH2 4.41Å; Y172-W388 HydrophobicContact CD2-CZ3 4.15Å; Y172-W388 HydrophobicContact CE1-CZ3 4.32Å; Y172-W388 HydrophobicContact CE2-CE3 4Å; Y172-W388 AromaticContact CE2-CH2 3.84Å; Y172-W388 HydrophobicContact CE2-CH2 3.84Å; Y172-W388 AromaticContact CE2-CZ3 3.18Å; Y172-W388 HydrophobicContact CE2-CZ3 3.18Å; Y172-W388 AromaticContact CZ-CE3 3.61Å; Y172-W388 AromaticContact CZ-CZ3 3.27Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.46Å; M203-W388 HydrophobicContact CE-CH2 4.06Å; F267-W388 HydrophobicContact CB-CH2 4.5Å; F267-W388 HydrophobicContact CB-CZ2 3.85Å; F267-W388 AromaticContact CD1-CH2 3.84Å; F267-W388 HydrophobicContact CD1-CH2 3.84Å; F267-W388 AromaticContact CD1-CZ2 3.94Å; F267-W388 HydrophobicContact CD1-CZ2 3.94Å; F267-W388 HydrophobicContact CD2-CH2 4.49Å; F267-W388 AromaticContact CD2-CZ2 3.91Å; F267-W388 HydrophobicContact CD2-CZ2 3.91Å; F267-W388 HydrophobicContact CE1-CH2 4.15Å; F267-W388 HydrophobicContact CE1-CZ2 4.48Å; F267-W388 HydrophobicContact CE2-CZ2 4.46Å; F267-W388 HydrophobicContact CG-CH2 4.03Å; F267-W388 AromaticContact CG-CZ2 3.62Å; F267-W388 HydrophobicContact CG-CZ2 3.62Å; I384-W388 HydrophobicContact CD1-CZ2 4.18Å; I384-W388 HydrophobicContact CG1-CZ2 3.54Å; I384-W388 PolarHBondContact O-N 2.97Å; A385-W388 PolarHBondContact O-N 3.11Å; W388-R390 PolarHBondContact O-N 2.9Å; W388-R390 VanDerWaalsContact O-N 3.09Å; W388-L391 CarbonylContact O-C 3.55Å; W388-L391 WeakPolarHBondContact O-CA 3.49Å; W388-L391 VanDerWaalsContact O-CB 3.3Å; W388-L391 WeakPolarHBondContact O-CB 3.35Å; W388-L391 PolarHBondContact O-N 3.5Å; W388-D392 PolarHBondContact O-N 2.94Å; W388-L425 HydrophobicContact CB-CD1 4.36Å; W388-L425 HydrophobicContact CD2-CD1 4.16Å; W388-L425 HydrophobicContact CE3-CD1 3.91Å; W388-L425 HydrophobicContact CG-CD1 4.29Å; W388-E429 HydrophobicContact CB-CG 3.46Å; W388-E429 VanDerWaalsContact CB-CG 3.46Å; W388-E429 VanDerWaalsContact CB-OE1 3.23Å; W388-E429 WeakPolarHBondContact CB-OE1 3.4Å; W388-E429 HydrophobicContact CG-CG 4.29Å; W388-Y432 AromaticContact NE1-CD2 3.8Å; W388-Y432 AromaticContact NE1-CE2 3.48Å
389	A	95.3	Very high	95.6	Very high	47 Å²	47	31.2 Å²	31.2	39%	0.388	16%	0.158	S	C	.	.	H	α-helix	trans	-59.9	-33.9	-175.4	0	0	0	0	0	112.6	A385 H393 E429	A385-A389 WeakPolarHBondContact O-CB 3.48Å; A385-A389 PolarHBondContact O-N 3.46Å; A389-H393 WeakPolarHBondContact O-CB 3.29Å; A389-H393 PolarHBondContact O-N 3.21Å; A389-E429 WeakPolarHBondContact CA-OE1 3.2Å; A389-E429 PolarHBondContact N-OE1 3.39Å
390	R	94.4	Very high	95.7	Very high	75 Å²	75	35.3 Å²	35.3	28%	0.283	19%	0.192	S	C	.	.	H	α-helix	trans	-71.2	-38.6	173.9	-71.2	-174.3	-46.9	-104.5	6.3	112.6	K304 E386 W388 K394	K304-R390 VanDerWaalsContact O-CZ 3.28Å; K304-R390 PolarHBondContact O-NH1 3.33Å; K304-R390 VanDerWaalsContact O-NH1 3.1Å; K304-R390 PolarHBondContact O-NH2 2.99Å; E386-R390 VanDerWaalsContact O-CG 3.3Å; E386-R390 WeakPolarHBondContact O-CG 2.94Å; E386-R390 PolarHBondContact O-N 2.88Å; E386-R390 PolarHBondContact O-NH1 3.13Å; E386-R390 VanDerWaalsContact O-NH1 3.14Å; W388-R390 PolarHBondContact O-N 2.9Å; W388-R390 VanDerWaalsContact O-N 3.09Å; R390-K394 WeakPolarHBondContact O-CG 3.13Å; R390-K394 PolarHBondContact O-N 3.49Å; R390-K394 VanDerWaalsContact O-N 3.12Å
391	L	94.9	Very high	95.7	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-48.4	176.6	179.4	61.7	0	0	0	110.2	Y172 P173 P184 I188 A387 W388 H393 K394 F395 L425	Y172-L391 HydrophobicContact CE2-CD2 4.33Å; Y172-L391 WeakPolarHBondContact OH-CB 3.44Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.25Å; P173-L391 HydrophobicContact CG-CD1 4.47Å; P184-L391 HydrophobicContact CB-CD1 3.99Å; I188-L391 HydrophobicContact CD1-CG 4.27Å; I188-L391 HydrophobicContact CG1-CD1 4.4Å; I188-L391 HydrophobicContact CG1-CD2 3.72Å; I188-L391 HydrophobicContact CG1-CG 3.75Å; A387-L391 PolarHBondContact O-N 2.97Å; W388-L391 CarbonylContact O-C 3.55Å; W388-L391 WeakPolarHBondContact O-CA 3.49Å; W388-L391 VanDerWaalsContact O-CB 3.3Å; W388-L391 WeakPolarHBondContact O-CB 3.35Å; W388-L391 PolarHBondContact O-N 3.5Å; L391-H393 PolarHBondContact O-N 3.42Å; L391-K394 PolarHBondContact O-N 3.47Å; L391-K394 VanDerWaalsContact O-N 3.17Å; L391-F395 WeakPolarHBondContact O-CB 3.46Å; L391-F395 PolarHBondContact O-N 3.23Å; L391-L425 HydrophobicContact CD2-CD2 3.82Å; L391-L425 HydrophobicContact CG-CD2 4.31Å
392	D	96.2	Very high	95.8	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-55.2	-48.8	175.1	-93.2	-0	0	0	0	111.9	I188 W388 K394 F395 D396 R422 L425 E429	I188-D392 WeakPolarHBondContact CD1-OD1 3.48Å; W388-D392 PolarHBondContact O-N 2.94Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.47Å; D392-F395 WeakPolarHBondContact O-CB 3.39Å; D392-F395 PolarHBondContact O-N 2.79Å; D392-D396 WeakPolarHBondContact O-CB 3.39Å; D392-D396 PolarHBondContact O-N 2.87Å; D392-R422 WeakPolarHBondContact OD1-CD 3.4Å; D392-R422 IonicContact OD1-CZ 3.83Å; D392-R422 IonicContact OD1-NE 3.87Å; D392-R422 IonicContact OD1-NH1 2.71Å; D392-R422 PolarHBondContact OD1-NH1 2.74Å; D392-R422 IonicContact OD2-CZ 3.71Å; D392-R422 IonicContact OD2-NE 2.74Å; D392-R422 IonicContact OD2-NH1 3.49Å; D392-R422 PolarHBondContact OD2-NH1 3.36Å; D392-R422 IonicContact OD2-NH2 3.3Å; D392-R422 PolarHBondContact OD2-NH2 3.08Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.34Å; D392-E429 VanDerWaalsContact CG-OE1 3.3Å
393	H	95.9	Very high	95.8	Very high	115 Å²	115	51.3 Å²	51.3	53%	0.532	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-43.7	176.9	-178	62.7	0	0	0	112.8	A389 L391 D396 L397	A389-H393 WeakPolarHBondContact O-CB 3.29Å; A389-H393 PolarHBondContact O-N 3.21Å; L391-H393 PolarHBondContact O-N 3.42Å; H393-D396 PolarHBondContact O-N 3.17Å; H393-L397 WeakPolarHBondContact O-CG 3.29Å; H393-L397 PolarHBondContact O-N 2.89Å; H393-L397 VanDerWaalsContact O-N 3.16Å
394	K	95.3	Very high	95.9	Very high	63 Å²	63	54.1 Å²	54.1	27%	0.274	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-42.2	177.2	-74.2	177.6	178.1	-176.2	0	111.1	A174 P175 P184 R390 L391 D392 M398	A174-K394 PolarHBondContact O-NZ 2.95Å; A174-K394 VanDerWaalsContact O-NZ 3.12Å; P175-K394 PolarHBondContact O-NZ 3.4Å; P184-K394 HydrophobicContact CB-CB 4.09Å; P184-K394 HydrophobicContact CG-CB 3.79Å; P184-K394 HydrophobicContact CG-CD 4.34Å; R390-K394 WeakPolarHBondContact O-CG 3.13Å; R390-K394 PolarHBondContact O-N 3.49Å; R390-K394 VanDerWaalsContact O-N 3.12Å; L391-K394 PolarHBondContact O-N 3.47Å; L391-K394 VanDerWaalsContact O-N 3.17Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.47Å; K394-M398 WeakPolarHBondContact O-CG 3.26Å; K394-M398 PolarHBondContact O-N 2.87Å
395	F	96.7	Very high	96	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-51.5	175.1	177.5	-81	0	0	0	111.1	P184 Y185 I188 L391 D392 L397 M398 Y399 F418 R422	P184-F395 HydrophobicContact CB-CB 4.48Å; Y185-F395 AromaticContact CD1-CD2 3.35Å; Y185-F395 HydrophobicContact CD1-CD2 3.35Å; Y185-F395 AromaticContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CE2 3.46Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.46Å; Y185-F395 HydrophobicContact CD1-CG 4.22Å; Y185-F395 HydrophobicContact CD1-CZ 4.39Å; Y185-F395 AromaticContact CE1-CD2 3.75Å; Y185-F395 HydrophobicContact CE1-CD2 3.75Å; Y185-F395 AromaticContact CE1-CE2 3.78Å; Y185-F395 HydrophobicContact CE1-CE2 3.78Å; Y185-F395 HydrophobicContact CE1-CG 4.26Å; Y185-F395 HydrophobicContact CE1-CZ 4.3Å; Y185-F395 HydrophobicContact CG-CE2 4.47Å; I188-F395 HydrophobicContact CB-CD2 4.11Å; I188-F395 HydrophobicContact CB-CE2 4.38Å; I188-F395 HydrophobicContact CD1-CB 3.45Å; I188-F395 VanDerWaalsContact CD1-CB 3.45Å; I188-F395 HydrophobicContact CD1-CD1 4.28Å; I188-F395 HydrophobicContact CD1-CD2 3.47Å; I188-F395 VanDerWaalsContact CD1-CD2 3.47Å; I188-F395 HydrophobicContact CD1-CE2 4.26Å; I188-F395 HydrophobicContact CD1-CG 3.5Å; I188-F395 VanDerWaalsContact CD1-CG 3.5Å; I188-F395 HydrophobicContact CG1-CB 4.38Å; I188-F395 HydrophobicContact CG1-CD2 3.98Å; I188-F395 HydrophobicContact CG1-CG 4.44Å; I188-F395 HydrophobicContact CG2-CD2 4.4Å; I188-F395 HydrophobicContact CG2-CE2 4.32Å; L391-F395 WeakPolarHBondContact O-CB 3.46Å; L391-F395 PolarHBondContact O-N 3.23Å; D392-F395 WeakPolarHBondContact O-CB 3.39Å; D392-F395 PolarHBondContact O-N 2.79Å; F395-L397 VanDerWaalsContact C-N 3.31Å; F395-L397 PolarHBondContact O-N 3.27Å; F395-M398 WeakPolarHBondContact O-CB 3.5Å; F395-M398 PolarHBondContact O-N 3.17Å; F395-Y399 HydrophobicContact CE1-CD1 4.22Å; F395-Y399 HydrophobicContact CE1-CD2 4.33Å; F395-Y399 AromaticContact CE1-CG 3.84Å; F395-Y399 HydrophobicContact CE1-CG 3.84Å; F395-Y399 HydrophobicContact CZ-CD2 4.14Å; F395-Y399 HydrophobicContact CZ-CG 4.13Å; F395-Y399 WeakPolarHBondContact O-CB 3.27Å; F395-Y399 PolarHBondContact O-N 2.83Å; F395-F418 AromaticContact CE2-CD1 3.85Å; F395-F418 HydrophobicContact CE2-CD1 3.85Å; F395-F418 HydrophobicContact CZ-CB 4.11Å; F395-F418 HydrophobicContact CZ-CD1 4.02Å; F395-F418 WeakPolarHBondContact CZ-O 3.38Å; F395-R422 HydrophobicContact CD1-CB 4.26Å; F395-R422 HydrophobicContact CD1-CG 3.91Å; F395-R422 HydrophobicContact CE1-CB 3.7Å; F395-R422 HydrophobicContact CE1-CG 3.68Å; F395-R422 HydrophobicContact CZ-CB 3.93Å; F395-R422 HydrophobicContact CZ-CG 4.41Å
396	D	97.8	Very high	96.1	Very high	66 Å²	66	59.5 Å²	59.5	35%	0.353	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-41.8	-175.7	-69.1	-22.6	0	0	0	111.5	D392 H393 M398 Y399 A400 R422	D392-D396 WeakPolarHBondContact O-CB 3.39Å; D392-D396 PolarHBondContact O-N 2.87Å; H393-D396 PolarHBondContact O-N 3.17Å; D396-M398 VanDerWaalsContact C-N 3.29Å; D396-M398 PolarHBondContact O-N 3.15Å; D396-Y399 PolarHBondContact O-N 3.01Å; D396-A400 WeakPolarHBondContact O-CB 3.25Å; D396-A400 PolarHBondContact O-N 2.84Å; D396-R422 IonicContact OD1-CZ 3.79Å; D396-R422 IonicContact OD1-NE 3.5Å; D396-R422 PolarHBondContact OD1-NE 3.06Å; D396-R422 IonicContact OD1-NH2 3.41Å; D396-R422 IonicContact OD2-CZ 3.41Å; D396-R422 IonicContact OD2-NE 3.2Å; D396-R422 PolarHBondContact OD2-NE 3.25Å; D396-R422 IonicContact OD2-NH2 2.69Å; D396-R422 PolarHBondContact OD2-NH2 2.83Å
397	L	96.3	Very high	96.3	Very high	98 Å²	98	62.2 Å²	62.2	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-36.9	175.7	-72.8	177.8	0	0	0	113	H393 F395	H393-L397 WeakPolarHBondContact O-CG 3.29Å; H393-L397 PolarHBondContact O-N 2.89Å; H393-L397 VanDerWaalsContact O-N 3.16Å; F395-L397 VanDerWaalsContact C-N 3.31Å; F395-L397 PolarHBondContact O-N 3.27Å
398	M	96.1	Very high	96.5	Very high	29 Å²	29	62.2 Å²	62.2	14%	0.143	30%	0.303	C	S	.	.	H	α-helix	trans	-76.7	-46.9	178.2	-68.4	-178.1	60.6	0	0	111.4	V181 V182 P184 Y185 K394 F395 D396 K401 R402 A403 F404	V181-M398 VanDerWaalsContact O-CE 3.25Å; V181-M398 WeakPolarHBondContact O-CE 3.39Å; V182-M398 HydrophobicContact CG1-CE 4.5Å; P184-M398 HydrophobicContact CB-SD 4.16Å; P184-M398 HydrophobicContact CG-SD 3.8Å; Y185-M398 HydrophobicContact CD2-CE 4.43Å; Y185-M398 HydrophobicContact CE1-CB 3.86Å; Y185-M398 HydrophobicContact CE2-CE 4.22Å; Y185-M398 VanDerWaalsContact OH-C 3.23Å; Y185-M398 PolarHBondContact OH-O 3.31Å; K394-M398 WeakPolarHBondContact O-CG 3.26Å; K394-M398 PolarHBondContact O-N 2.87Å; F395-M398 WeakPolarHBondContact O-CB 3.5Å; F395-M398 PolarHBondContact O-N 3.17Å; D396-M398 VanDerWaalsContact C-N 3.29Å; D396-M398 PolarHBondContact O-N 3.15Å; M398-K401 PolarHBondContact O-N 2.85Å; M398-R402 PolarHBondContact O-N 3.31Å; M398-A403 PolarHBondContact O-N 3.23Å; M398-F404 HydrophobicContact CE-CD2 3.79Å; M398-F404 HydrophobicContact CE-CE2 4.29Å
399	Y	97.4	Very high	96.6	Very high	53 Å²	53	65 Å²	65	21%	0.208	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-36.9	-174.2	-166.4	-107.6	0	0	0	112.1	Y185 F395 D396 K401 R402 V405 F418 S419	Y185-Y399 HydrophobicContact CE1-CD2 4.4Å; Y185-Y399 VanDerWaalsContact OH-CA 3.25Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.45Å; Y185-Y399 PolarHBondContact OH-N 3.3Å; F395-Y399 HydrophobicContact CE1-CD1 4.22Å; F395-Y399 HydrophobicContact CE1-CD2 4.33Å; F395-Y399 AromaticContact CE1-CG 3.84Å; F395-Y399 HydrophobicContact CE1-CG 3.84Å; F395-Y399 HydrophobicContact CZ-CD2 4.14Å; F395-Y399 HydrophobicContact CZ-CG 4.13Å; F395-Y399 WeakPolarHBondContact O-CB 3.27Å; F395-Y399 PolarHBondContact O-N 2.83Å; D396-Y399 PolarHBondContact O-N 3.01Å; Y399-K401 PolarHBondContact O-N 2.62Å; Y399-K401 VanDerWaalsContact O-N 3.08Å; Y399-R402 WeakPolarHBondContact O-CA 3.16Å; Y399-R402 PolarHBondContact O-N 3.05Å; Y399-V405 HydrophobicContact CD2-CG2 3.88Å; Y399-V405 HydrophobicContact CE2-CG2 3.99Å; Y399-F418 HydrophobicContact CD2-CB 4.25Å; Y399-F418 HydrophobicContact CD2-CG 4.33Å; Y399-F418 HydrophobicContact CE2-CB 3.57Å; Y399-F418 HydrophobicContact CE2-CD1 4.5Å; Y399-F418 HydrophobicContact CE2-CD2 4.06Å; Y399-F418 AromaticContact CE2-CG 3.83Å; Y399-F418 HydrophobicContact CE2-CG 3.83Å; Y399-S419 PolarHBondContact OH-OG 3.43Å
400	A	97.1	Very high	96.7	Very high	87 Å²	87	66 Å²	66	72%	0.719	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.4	173.3	0	0	0	0	0	113.1	D396	D396-A400 WeakPolarHBondContact O-CB 3.25Å; D396-A400 PolarHBondContact O-N 2.84Å
401	K	97	Very high	96.8	Very high	173 Å²	173	64.4 Å²	64.4	75%	0.752	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-0	175.7	-66.8	178.2	-178.7	172.5	0	113.3	M398 Y399 A403	M398-K401 PolarHBondContact O-N 2.85Å; Y399-K401 PolarHBondContact O-N 2.62Å; Y399-K401 VanDerWaalsContact O-N 3.08Å; K401-A403 HydrophobicContact CB-CB 4.48Å; K401-A403 PolarHBondContact O-N 3.33Å; K401-A403 VanDerWaalsContact O-N 3.13Å
402	R	96.6	Very high	96.9	Very high	151 Å²	151	66.8 Å²	66.8	57%	0.57	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	31.2	-169.4	-55.3	-176	66.4	151.4	1.2	112.3	M398 Y399 F404 V405 E415	M398-R402 PolarHBondContact O-N 3.31Å; Y399-R402 WeakPolarHBondContact O-CA 3.16Å; Y399-R402 PolarHBondContact O-N 3.05Å; R402-F404 PolarHBondContact O-N 3.19Å; R402-V405 HydrophobicContact CB-CG2 4.28Å; R402-V405 PolarHBondContact O-N 3.02Å; R402-E415 IonicContact CZ-OE1 3.18Å; R402-E415 IonicContact CZ-OE2 3.88Å; R402-E415 IonicContact NE-OE1 3.5Å; R402-E415 PolarHBondContact NE-OE1 3.26Å; R402-E415 IonicContact NH1-OE1 2.79Å; R402-E415 IonicContact NH2-OE1 2.66Å; R402-E415 PolarHBondContact NH2-OE1 2.9Å; R402-E415 IonicContact NH2-OE2 2.83Å; R402-E415 PolarHBondContact NH2-OE2 3.48Å
403	A	97	Very high	96.9	Very high	29 Å²	29	66.8 Å²	66.8	24%	0.24	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	129	-178.4	0	0	0	0	0	108.7	Y185 M398 K401 V405	Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 3.31Å; M398-A403 PolarHBondContact O-N 3.23Å; K401-A403 HydrophobicContact CB-CB 4.48Å; K401-A403 PolarHBondContact O-N 3.33Å; K401-A403 VanDerWaalsContact O-N 3.13Å; A403-V405 PolarHBondContact O-N 2.96Å
404	F	96.9	Very high	97	Very high	61 Å²	61	68.3 Å²	68.3	27%	0.268	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-1.3	178.6	-48.1	-75.6	0	0	0	117.2	V181 V182 Y185 M398 R402 H406 W407	V181-F404 HydrophobicContact CB-CE2 4.39Å; V181-F404 HydrophobicContact CB-CZ 4.47Å; V181-F404 HydrophobicContact CG2-CE1 4.3Å; V181-F404 HydrophobicContact CG2-CE2 4.04Å; V181-F404 HydrophobicContact CG2-CZ 3.83Å; V182-F404 HydrophobicContact CG1-CB 3.67Å; V182-F404 HydrophobicContact CG1-CD1 4.28Å; V182-F404 HydrophobicContact CG1-CD2 3.84Å; V182-F404 HydrophobicContact CG1-CG 3.67Å; Y185-F404 HydrophobicContact CE2-CB 4.48Å; M398-F404 HydrophobicContact CE-CD2 3.79Å; M398-F404 HydrophobicContact CE-CE2 4.29Å; R402-F404 PolarHBondContact O-N 3.19Å; F404-H406 PolarHBondContact O-N 2.74Å; F404-H406 VanDerWaalsContact O-N 3.15Å; F404-W407 HydrophobicContact CB-CD2 4.29Å; F404-W407 HydrophobicContact CB-CE3 4.28Å; F404-W407 AromaticContact CD1-CD2 3.82Å; F404-W407 HydrophobicContact CD1-CD2 3.82Å; F404-W407 AromaticContact CD1-CE2 3.76Å; F404-W407 AromaticContact CD1-CE3 3.71Å; F404-W407 HydrophobicContact CD1-CE3 3.71Å; F404-W407 AromaticContact CD1-CH2 3.54Å; F404-W407 HydrophobicContact CD1-CH2 3.54Å; F404-W407 AromaticContact CD1-CZ2 3.63Å; F404-W407 HydrophobicContact CD1-CZ2 3.63Å; F404-W407 AromaticContact CD1-CZ3 3.57Å; F404-W407 HydrophobicContact CD1-CZ3 3.57Å; F404-W407 AromaticContact CE1-CH2 3.57Å; F404-W407 HydrophobicContact CE1-CH2 3.57Å; F404-W407 AromaticContact CE1-CZ2 3.84Å; F404-W407 HydrophobicContact CE1-CZ2 3.84Å; F404-W407 AromaticContact CE1-CZ3 3.94Å; F404-W407 HydrophobicContact CE1-CZ3 3.94Å; F404-W407 HydrophobicContact CG-CE3 4.36Å; F404-W407 HydrophobicContact CG-CZ3 4.47Å; F404-W407 VanDerWaalsContact O-CB 3.27Å; F404-W407 WeakPolarHBondContact O-CB 3.35Å; F404-W407 PolarHBondContact O-N 3.32Å
405	V	97.3	Very high	97	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.018	36%	0.364	C	S	.	.	H	α-helix	trans	-53.2	-41.3	-179.2	172.9	0	0	0	0	111.9	Y185 Y399 R402 A403 W407 Y408 V409 E415 F418	Y185-V405 HydrophobicContact CE2-CG2 4.2Å; Y399-V405 HydrophobicContact CD2-CG2 3.88Å; Y399-V405 HydrophobicContact CE2-CG2 3.99Å; R402-V405 HydrophobicContact CB-CG2 4.28Å; R402-V405 PolarHBondContact O-N 3.02Å; A403-V405 PolarHBondContact O-N 2.96Å; V405-W407 PolarHBondContact O-N 3.19Å; V405-Y408 PolarHBondContact O-N 2.95Å; V405-V409 HydrophobicContact CG1-CG2 4.11Å; V405-V409 PolarHBondContact O-N 3.36Å; V405-V409 VanDerWaalsContact O-N 3.1Å; V405-E415 HydrophobicContact CG1-CG 4.15Å; V405-F418 HydrophobicContact CB-CE2 4.46Å; V405-F418 HydrophobicContact CG1-CD2 4.3Å; V405-F418 HydrophobicContact CG1-CE2 3.9Å; V405-F418 HydrophobicContact CG2-CE2 4.5Å
406	H	97.2	Very high	97	Very high	128 Å²	128	70 Å²	70	59%	0.593	38%	0.381	S	S	*	.	H	α-helix	trans	-62.4	-20.5	177.5	66.6	-75.1	0	0	0	114.4	F404 Y408 G410	F404-H406 PolarHBondContact O-N 2.74Å; F404-H406 VanDerWaalsContact O-N 3.15Å; H406-Y408 VanDerWaalsContact C-N 3.34Å; H406-G410 PolarHBondContact O-N 3.4Å
407	W	97.3	Very high	97	Very high	117 Å²	117	68.4 Å²	68.4	44%	0.443	37%	0.372	S	S	.	.	H	α-helix	trans	-72	-29.9	173.3	-64.7	1.1	0	0	0	111.8	N102 V182 F404 V405 E411	N102-W407 PolarHBondContact ND2-O 2.97Å; V182-W407 HydrophobicContact CG1-CE3 4.44Å; F404-W407 HydrophobicContact CB-CD2 4.29Å; F404-W407 HydrophobicContact CB-CE3 4.28Å; F404-W407 AromaticContact CD1-CD2 3.82Å; F404-W407 HydrophobicContact CD1-CD2 3.82Å; F404-W407 AromaticContact CD1-CE2 3.76Å; F404-W407 AromaticContact CD1-CE3 3.71Å; F404-W407 HydrophobicContact CD1-CE3 3.71Å; F404-W407 AromaticContact CD1-CH2 3.54Å; F404-W407 HydrophobicContact CD1-CH2 3.54Å; F404-W407 AromaticContact CD1-CZ2 3.63Å; F404-W407 HydrophobicContact CD1-CZ2 3.63Å; F404-W407 AromaticContact CD1-CZ3 3.57Å; F404-W407 HydrophobicContact CD1-CZ3 3.57Å; F404-W407 AromaticContact CE1-CH2 3.57Å; F404-W407 HydrophobicContact CE1-CH2 3.57Å; F404-W407 AromaticContact CE1-CZ2 3.84Å; F404-W407 HydrophobicContact CE1-CZ2 3.84Å; F404-W407 AromaticContact CE1-CZ3 3.94Å; F404-W407 HydrophobicContact CE1-CZ3 3.94Å; F404-W407 HydrophobicContact CG-CE3 4.36Å; F404-W407 HydrophobicContact CG-CZ3 4.47Å; F404-W407 VanDerWaalsContact O-CB 3.27Å; F404-W407 WeakPolarHBondContact O-CB 3.35Å; F404-W407 PolarHBondContact O-N 3.32Å; V405-W407 PolarHBondContact O-N 3.19Å; W407-E411 WeakPolarHBondContact O-CG 3.2Å
408	Y	98.4	Very high	97.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-84.7	-47	179.5	-69.3	-113.3	0	0	0	110.3	A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418	A104-Y408 HydrophobicContact CB-CD1 3.93Å; A104-Y408 HydrophobicContact CB-CG 4.28Å; V182-Y408 HydrophobicContact CB-CE2 4.28Å; V182-Y408 VanDerWaalsContact CB-OH 3.25Å; V182-Y408 WeakPolarHBondContact CB-OH 3.44Å; V182-Y408 HydrophobicContact CG1-CE2 4.31Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.44Å; V182-Y408 PolarHBondContact O-OH 3.32Å; Y185-Y408 HydrophobicContact CD2-CD2 4.26Å; Y185-Y408 AromaticContact CD2-CE2 3.71Å; Y185-Y408 HydrophobicContact CD2-CE2 3.71Å; Y185-Y408 AromaticContact CD2-CZ 3.96Å; N186-Y408 PolarHBondContact OD1-OH 2.82Å; L189-Y408 HydrophobicContact CD1-CD1 3.81Å; L189-Y408 HydrophobicContact CD1-CE1 3.74Å; V405-Y408 PolarHBondContact O-N 2.95Å; H406-Y408 VanDerWaalsContact C-N 3.34Å; Y408-G410 PolarHBondContact O-N 3.04Å; Y408-E411 PolarHBondContact O-N 3.41Å; Y408-M413 HydrophobicContact CD1-CE 4.19Å; Y408-M413 HydrophobicContact CD1-SD 4.01Å; Y408-M413 HydrophobicContact CG-CE 4.46Å; Y408-M413 WeakPolarHBondContact O-CB 3.32Å; Y408-M413 PolarHBondContact O-N 3.24Å; Y408-F418 HydrophobicContact CD1-CE1 4.24Å; Y408-F418 AromaticContact CD1-CZ 3.75Å; Y408-F418 HydrophobicContact CD1-CZ 3.75Å; Y408-F418 AromaticContact CD2-CZ 3.84Å; Y408-F418 HydrophobicContact CD2-CZ 3.84Å; Y408-F418 HydrophobicContact CE1-CZ 4.38Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.21Å; Y408-F418 AromaticContact CG-CZ 3.46Å; Y408-F418 HydrophobicContact CG-CZ 3.46Å; Y408-F418 VanDerWaalsContact CG-CZ 3.46Å
409	V	97.7	Very high	97.2	Very high	60 Å²	60	64.7 Å²	64.7	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-35.1	176.3	179.2	0	0	0	0	111.5	V405 E411 G412 M413 E415	V405-V409 HydrophobicContact CG1-CG2 4.11Å; V405-V409 PolarHBondContact O-N 3.36Å; V405-V409 VanDerWaalsContact O-N 3.1Å; V409-E411 PolarHBondContact O-N 3.31Å; V409-G412 PolarHBondContact O-N 3.22Å; V409-M413 WeakPolarHBondContact CA-O 3.41Å; V409-E415 HydrophobicContact CG2-CB 4.03Å
410	G	97	Very high	97.2	Very high	66 Å²	66	67.6 Å²	67.6	68%	0.68	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.6	175	0	0	0	0	0	114.5	H406 Y408 G412	H406-G410 PolarHBondContact O-N 3.4Å; Y408-G410 PolarHBondContact O-N 3.04Å; G410-G412 VanDerWaalsContact C-N 3.32Å
411	E	97.1	Very high	97.3	Very high	43 Å²	43	63.5 Å²	63.5	20%	0.201	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	6.4	175.4	-62.2	-73	164.5	0	0	111.9	A104 R105 Y108 T109 W407 Y408 V409	A104-E411 HydrophobicContact CB-CB 3.83Å; A104-E411 HydrophobicContact CB-CG 4.49Å; R105-E411 HydrophobicContact CB-CG 4.02Å; R105-E411 IonicContact NH1-OE1 2.83Å; R105-E411 PolarHBondContact NH1-OE1 3.16Å; R105-E411 IonicContact NH1-OE2 3.77Å; Y108-E411 WeakPolarHBondContact CB-O 3.47Å; T109-E411 WeakPolarHBondContact CB-OE2 3.35Å; T109-E411 HydrophobicContact CG2-CB 4.13Å; T109-E411 WeakPolarHBondContact CG2-O 3.49Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.43Å; T109-E411 PolarHBondContact OG1-OE2 3.12Å; W407-E411 WeakPolarHBondContact O-CG 3.2Å; Y408-E411 PolarHBondContact O-N 3.41Å; V409-E411 PolarHBondContact O-N 3.31Å
412	G	95.6	Very high	97.3	Very high	55 Å²	55	57.4 Å²	57.4	57%	0.567	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	6.6	174.9	0	0	0	0	0	115.5	V409 G410	V409-G412 PolarHBondContact O-N 3.22Å; G410-G412 VanDerWaalsContact C-N 3.32Å
413	M	97.9	Very high	97.3	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	32%	0.315	C	S	.	.			trans	-72.1	140.2	170.8	-168.7	179	105.7	0	0	110.6	Y103 A104 Y108 L189 Y408 V409 E417 F418	Y103-M413 HydrophobicContact CD1-SD 4.4Å; A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.07Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.15Å; Y108-M413 HydrophobicContact CE2-CB 3.71Å; Y108-M413 HydrophobicContact CE2-CG 3.51Å; Y108-M413 HydrophobicContact CE2-SD 4.11Å; L189-M413 HydrophobicContact CD1-CE 3.96Å; L189-M413 HydrophobicContact CD1-SD 3.85Å; L189-M413 HydrophobicContact CD2-CE 4.04Å; L189-M413 HydrophobicContact CD2-SD 4.2Å; Y408-M413 HydrophobicContact CD1-CE 4.19Å; Y408-M413 HydrophobicContact CD1-SD 4.01Å; Y408-M413 HydrophobicContact CG-CE 4.46Å; Y408-M413 WeakPolarHBondContact O-CB 3.32Å; Y408-M413 PolarHBondContact O-N 3.24Å; V409-M413 WeakPolarHBondContact CA-O 3.41Å; M413-E417 HydrophobicContact CE-CB 4.34Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 VanDerWaalsContact CG-CD 3.48Å; M413-E417 HydrophobicContact CG-CG 4.46Å; M413-E417 VanDerWaalsContact CG-OE1 3.32Å; M413-E417 WeakPolarHBondContact CG-OE1 3.19Å; M413-E417 WeakPolarHBondContact CG-OE2 3.48Å; M413-F418 HydrophobicContact CE-CD1 4.04Å; M413-F418 HydrophobicContact CE-CD2 3.35Å; M413-F418 HydrophobicContact CE-CE1 3.86Å; M413-F418 HydrophobicContact CE-CE2 3.14Å; M413-F418 HydrophobicContact CE-CG 3.83Å; M413-F418 HydrophobicContact CE-CZ 3.43Å; M413-F418 VanDerWaalsContact CE-CZ 3.43Å
414	E	97.3	Very high	97.4	Very high	147 Å²	147	57 Å²	57	69%	0.687	31%	0.311	S	S	*	.			trans	-77.2	139.5	175.1	-63	-170.5	179.2	0	0	110.6	G416 E417	E414-G416 PolarHBondContact O-N 3.2Å; E414-E417 HydrophobicContact CB-CG 4.22Å; E414-E417 PolarHBondContact N-OE1 3.49Å; E414-E417 WeakPolarHBondContact O-CB 3.43Å; E414-E417 PolarHBondContact O-N 2.92Å
415	E	95.5	Very high	97.4	Very high	65 Å²	65	54.2 Å²	54.2	30%	0.304	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.4	-178.8	-175.6	168.2	-165.5	0	0	112.6	R402 V405 V409 E417 F418	R402-E415 IonicContact CZ-OE1 3.18Å; R402-E415 IonicContact CZ-OE2 3.88Å; R402-E415 IonicContact NE-OE1 3.5Å; R402-E415 PolarHBondContact NE-OE1 3.26Å; R402-E415 IonicContact NH1-OE1 2.79Å; R402-E415 IonicContact NH2-OE1 2.66Å; R402-E415 PolarHBondContact NH2-OE1 2.9Å; R402-E415 IonicContact NH2-OE2 2.83Å; R402-E415 PolarHBondContact NH2-OE2 3.48Å; V405-E415 HydrophobicContact CG1-CG 4.15Å; V409-E415 HydrophobicContact CG2-CB 4.03Å; E415-E417 VanDerWaalsContact C-N 3.28Å; E415-E417 PolarHBondContact O-N 3.46Å; E415-F418 PolarHBondContact O-N 3.33Å
416	G	96.9	Very high	97.3	Very high	36 Å²	36	55.4 Å²	55.4	37%	0.371	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-32.2	177	0	0	0	0	0	113.5	E414 F418 S419 E420	E414-G416 PolarHBondContact O-N 3.2Å; G416-F418 PolarHBondContact O-N 3.22Å; G416-F418 VanDerWaalsContact O-N 3.17Å; G416-S419 PolarHBondContact O-N 3.14Å; G416-E420 PolarHBondContact O-N 2.93Å
417	E	98.1	Very high	97.3	Very high	33 Å²	33	51.2 Å²	51.2	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-31.1	-179.8	-63.1	177.4	-127.1	0	0	112.4	Y108 M413 E414 E415 S419 A421	Y108-E417 VanDerWaalsContact OH-CD 3.25Å; Y108-E417 PolarHBondContact OH-OE1 3.1Å; Y108-E417 PolarHBondContact OH-OE2 3.48Å; M413-E417 HydrophobicContact CE-CB 4.34Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 VanDerWaalsContact CG-CD 3.48Å; M413-E417 HydrophobicContact CG-CG 4.46Å; M413-E417 VanDerWaalsContact CG-OE1 3.32Å; M413-E417 WeakPolarHBondContact CG-OE1 3.19Å; M413-E417 WeakPolarHBondContact CG-OE2 3.48Å; E414-E417 HydrophobicContact CB-CG 4.22Å; E414-E417 PolarHBondContact N-OE1 3.49Å; E414-E417 WeakPolarHBondContact O-CB 3.43Å; E414-E417 PolarHBondContact O-N 2.92Å; E415-E417 VanDerWaalsContact C-N 3.28Å; E415-E417 PolarHBondContact O-N 3.46Å; E417-S419 VanDerWaalsContact C-N 3.33Å; E417-S419 PolarHBondContact O-N 3.3Å; E417-A421 WeakPolarHBondContact O-CB 3.49Å; E417-A421 PolarHBondContact O-N 3.16Å
418	F	98.2	Very high	97.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-42.5	173.4	-81.2	-67.5	0	0	0	112.4	Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422	Y185-F418 HydrophobicContact CD1-CD1 4.41Å; Y185-F418 HydrophobicContact CD1-CE1 4.02Å; Y185-F418 AromaticContact CD2-CE1 3.66Å; Y185-F418 HydrophobicContact CD2-CE1 3.66Å; Y185-F418 AromaticContact CD2-CZ 3.99Å; Y185-F418 HydrophobicContact CD2-CZ 3.99Å; Y185-F418 HydrophobicContact CE1-CE1 4.42Å; Y185-F418 HydrophobicContact CE2-CE1 4.1Å; Y185-F418 HydrophobicContact CE2-CZ 4.24Å; Y185-F418 HydrophobicContact CG-CD1 4.41Å; Y185-F418 AromaticContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CZ 4.39Å; L189-F418 HydrophobicContact CD1-CD1 4.41Å; L189-F418 HydrophobicContact CD1-CE1 3.99Å; L189-F418 HydrophobicContact CD2-CD1 4.49Å; F395-F418 AromaticContact CE2-CD1 3.85Å; F395-F418 HydrophobicContact CE2-CD1 3.85Å; F395-F418 HydrophobicContact CZ-CB 4.11Å; F395-F418 HydrophobicContact CZ-CD1 4.02Å; F395-F418 WeakPolarHBondContact CZ-O 3.38Å; Y399-F418 HydrophobicContact CD2-CB 4.25Å; Y399-F418 HydrophobicContact CD2-CG 4.33Å; Y399-F418 HydrophobicContact CE2-CB 3.57Å; Y399-F418 HydrophobicContact CE2-CD1 4.5Å; Y399-F418 HydrophobicContact CE2-CD2 4.06Å; Y399-F418 AromaticContact CE2-CG 3.83Å; Y399-F418 HydrophobicContact CE2-CG 3.83Å; V405-F418 HydrophobicContact CB-CE2 4.46Å; V405-F418 HydrophobicContact CG1-CD2 4.3Å; V405-F418 HydrophobicContact CG1-CE2 3.9Å; V405-F418 HydrophobicContact CG2-CE2 4.5Å; Y408-F418 HydrophobicContact CD1-CE1 4.24Å; Y408-F418 AromaticContact CD1-CZ 3.75Å; Y408-F418 HydrophobicContact CD1-CZ 3.75Å; Y408-F418 AromaticContact CD2-CZ 3.84Å; Y408-F418 HydrophobicContact CD2-CZ 3.84Å; Y408-F418 HydrophobicContact CE1-CZ 4.38Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.21Å; Y408-F418 AromaticContact CG-CZ 3.46Å; Y408-F418 HydrophobicContact CG-CZ 3.46Å; Y408-F418 VanDerWaalsContact CG-CZ 3.46Å; M413-F418 HydrophobicContact CE-CD1 4.04Å; M413-F418 HydrophobicContact CE-CD2 3.35Å; M413-F418 HydrophobicContact CE-CE1 3.86Å; M413-F418 HydrophobicContact CE-CE2 3.14Å; M413-F418 HydrophobicContact CE-CG 3.83Å; M413-F418 HydrophobicContact CE-CZ 3.43Å; M413-F418 VanDerWaalsContact CE-CZ 3.43Å; E415-F418 PolarHBondContact O-N 3.33Å; G416-F418 PolarHBondContact O-N 3.22Å; G416-F418 VanDerWaalsContact O-N 3.17Å; F418-R422 WeakPolarHBondContact O-CB 3.4Å; F418-R422 PolarHBondContact O-N 3.42Å; F418-R422 VanDerWaalsContact O-N 3.15Å
419	S	97.1	Very high	97.1	Very high	48 Å²	48	47 Å²	47	34%	0.336	28%	0.282	S	S	.	.	H	α-helix	trans	-73.7	-42.4	-178.1	-59	0	0	0	0	110.4	Y399 G416 E417 R422 E423	Y399-S419 PolarHBondContact OH-OG 3.43Å; G416-S419 PolarHBondContact O-N 3.14Å; E417-S419 VanDerWaalsContact C-N 3.33Å; E417-S419 PolarHBondContact O-N 3.3Å; S419-R422 PolarHBondContact O-N 3.27Å; S419-E423 WeakPolarHBondContact O-CB 3.47Å; S419-E423 WeakPolarHBondContact O-CG 3.18Å; S419-E423 PolarHBondContact O-N 2.8Å
420	E	98.1	Very high	97	Very high	115 Å²	115	50 Å²	50	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-49.3	176.7	-67.7	175.2	-162.8	0	0	111.6	G416 R422 E423 D424	G416-E420 PolarHBondContact O-N 2.93Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 2.92Å; E420-E423 PolarHBondContact O-N 2.91Å; E420-D424 WeakPolarHBondContact O-CB 3.5Å; E420-D424 PolarHBondContact O-N 3.26Å
421	A	98.1	Very high	96.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-36.4	178.7	0	0	0	0	0	112.5	I188 L189 H192 E417 L425	I188-A421 HydrophobicContact CG2-CB 3.73Å; I188-A421 WeakPolarHBondContact CG2-O 3.44Å; L189-A421 HydrophobicContact CD2-CB 4Å; H192-A421 HydrophobicContact CB-CB 3.5Å; E417-A421 WeakPolarHBondContact O-CB 3.49Å; E417-A421 PolarHBondContact O-N 3.16Å; A421-L425 PolarHBondContact O-N 2.93Å; A421-L425 VanDerWaalsContact O-N 3.08Å
422	R	97.9	Very high	96.8	Very high	46 Å²	46	46.8 Å²	46.8	17%	0.174	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-41.4	176.5	174.5	61	-173.4	94.6	-9.6	112.3	D392 F395 D396 F418 S419 E420 D424 A426	D392-R422 WeakPolarHBondContact OD1-CD 3.4Å; D392-R422 IonicContact OD1-CZ 3.83Å; D392-R422 IonicContact OD1-NE 3.87Å; D392-R422 IonicContact OD1-NH1 2.71Å; D392-R422 PolarHBondContact OD1-NH1 2.74Å; D392-R422 IonicContact OD2-CZ 3.71Å; D392-R422 IonicContact OD2-NE 2.74Å; D392-R422 IonicContact OD2-NH1 3.49Å; D392-R422 PolarHBondContact OD2-NH1 3.36Å; D392-R422 IonicContact OD2-NH2 3.3Å; D392-R422 PolarHBondContact OD2-NH2 3.08Å; F395-R422 HydrophobicContact CD1-CB 4.26Å; F395-R422 HydrophobicContact CD1-CG 3.91Å; F395-R422 HydrophobicContact CE1-CB 3.7Å; F395-R422 HydrophobicContact CE1-CG 3.68Å; F395-R422 HydrophobicContact CZ-CB 3.93Å; F395-R422 HydrophobicContact CZ-CG 4.41Å; D396-R422 IonicContact OD1-CZ 3.79Å; D396-R422 IonicContact OD1-NE 3.5Å; D396-R422 PolarHBondContact OD1-NE 3.06Å; D396-R422 IonicContact OD1-NH2 3.41Å; D396-R422 IonicContact OD2-CZ 3.41Å; D396-R422 IonicContact OD2-NE 3.2Å; D396-R422 PolarHBondContact OD2-NE 3.25Å; D396-R422 IonicContact OD2-NH2 2.69Å; D396-R422 PolarHBondContact OD2-NH2 2.83Å; F418-R422 WeakPolarHBondContact O-CB 3.4Å; F418-R422 PolarHBondContact O-N 3.42Å; F418-R422 VanDerWaalsContact O-N 3.15Å; S419-R422 PolarHBondContact O-N 3.27Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R422 PolarHBondContact O-N 2.92Å; R422-D424 VanDerWaalsContact C-N 3.35Å; R422-A426 VanDerWaalsContact NH1-CB 3.32Å; R422-A426 PolarHBondContact O-N 3.15Å; R422-A426 VanDerWaalsContact O-N 3.14Å
423	E	97.8	Very high	96.7	Very high	140 Å²	140	50 Å²	50	65%	0.654	26%	0.259	S	S	*	.	H	α-helix	trans	-65.7	-39.9	175.5	-75.8	178.2	-173.3	0	0	111.3	S419 E420 A426 A427	S419-E423 WeakPolarHBondContact O-CB 3.47Å; S419-E423 WeakPolarHBondContact O-CG 3.18Å; S419-E423 PolarHBondContact O-N 2.8Å; E420-E423 PolarHBondContact O-N 2.91Å; E423-A426 PolarHBondContact O-N 3.08Å; E423-A427 PolarHBondContact O-N 2.73Å
424	D	97.3	Very high	96.5	Very high	31 Å²	31	56.4 Å²	56.4	17%	0.166	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-39	177.8	-169.1	31.9	0	0	0	112.3	H192 R264 E420 R422 A427 L428	H192-D424 IonicContact CE1-OD2 2.81Å; H192-D424 IonicContact CG-OD2 2.73Å; H192-D424 WeakPolarHBondContact ND1-CB 3.47Å; H192-D424 IonicContact ND1-OD2 3.81Å; H192-D424 PolarHBondContact ND1-OD2 3.31Å; R264-D424 IonicContact CZ-OD1 3.59Å; R264-D424 IonicContact NH1-OD1 3.42Å; R264-D424 PolarHBondContact NH1-OD1 3.35Å; R264-D424 PolarHBondContact NH2-O 2.89Å; R264-D424 IonicContact NH2-OD1 3.37Å; R264-D424 PolarHBondContact NH2-OD1 2.84Å; E420-D424 WeakPolarHBondContact O-CB 3.5Å; E420-D424 PolarHBondContact O-N 3.26Å; R422-D424 VanDerWaalsContact C-N 3.35Å; D424-A427 WeakPolarHBondContact O-CB 3.38Å; D424-A427 PolarHBondContact O-N 3.08Å; D424-L428 PolarHBondContact O-N 2.93Å
425	L	96.7	Very high	96.2	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-39.2	174.6	-169.1	57.4	0	0	0	112.3	I188 T191 W388 L391 D392 A421 A427 L428 E429	I188-L425 HydrophobicContact CD1-CD2 3.8Å; I188-L425 HydrophobicContact CG1-CD2 3.68Å; T191-L425 HydrophobicContact CG2-CD1 3.99Å; W388-L425 HydrophobicContact CB-CD1 4.36Å; W388-L425 HydrophobicContact CD2-CD1 4.16Å; W388-L425 HydrophobicContact CE3-CD1 3.91Å; W388-L425 HydrophobicContact CG-CD1 4.29Å; L391-L425 HydrophobicContact CD2-CD2 3.82Å; L391-L425 HydrophobicContact CG-CD2 4.31Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.34Å; A421-L425 PolarHBondContact O-N 2.93Å; A421-L425 VanDerWaalsContact O-N 3.08Å; L425-A427 VanDerWaalsContact C-N 3.29Å; L425-A427 PolarHBondContact O-N 2.82Å; L425-L428 HydrophobicContact CD1-CB 4.38Å; L425-L428 HydrophobicContact CD1-CD2 3.9Å; L425-L428 WeakPolarHBondContact O-CB 3.45Å; L425-L428 PolarHBondContact O-N 3.47Å; L425-L428 VanDerWaalsContact O-N 3.16Å; L425-E429 PolarHBondContact O-N 3.23Å
426	A	96.5	Very high	95.9	Very high	27 Å²	27	47.8 Å²	47.8	22%	0.223	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-35.1	171.5	0	0	0	0	0	112.7	R422 E423 E429 K430	R422-A426 VanDerWaalsContact NH1-CB 3.32Å; R422-A426 PolarHBondContact O-N 3.15Å; R422-A426 VanDerWaalsContact O-N 3.14Å; E423-A426 PolarHBondContact O-N 3.08Å; A426-E429 PolarHBondContact O-N 2.81Å; A426-K430 WeakPolarHBondContact O-CG 3.49Å; A426-K430 PolarHBondContact O-N 2.53Å
427	A	96.6	Very high	95.5	Very high	40 Å²	40	49.6 Å²	49.6	33%	0.331	26%	0.257	S	S	.	.	H	α-helix	trans	-66.3	-41.6	173	0	0	0	0	0	110.9	E423 D424 L425 E429 K430 D431	E423-A427 PolarHBondContact O-N 2.73Å; D424-A427 WeakPolarHBondContact O-CB 3.38Å; D424-A427 PolarHBondContact O-N 3.08Å; L425-A427 VanDerWaalsContact C-N 3.29Å; L425-A427 PolarHBondContact O-N 2.82Å; A427-E429 VanDerWaalsContact C-N 3.33Å; A427-E429 PolarHBondContact O-N 3.37Å; A427-K430 WeakPolarHBondContact O-CB 3.47Å; A427-K430 PolarHBondContact O-N 3.42Å; A427-D431 VanDerWaalsContact O-CG 3.25Å; A427-D431 PolarHBondContact O-N 3.2Å
428	L	96.3	Very high	94.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-40	174.4	-179.4	63.6	0	0	0	112.4	T191 L195 R264 F267 D424 L425 K430 D431 Y432	T191-L428 HydrophobicContact CG2-CD2 4.37Å; L195-L428 HydrophobicContact CD1-CD2 4.27Å; R264-L428 HydrophobicContact CB-CD1 4.09Å; R264-L428 VanDerWaalsContact O-CD1 3.22Å; R264-L428 WeakPolarHBondContact O-CD1 3.2Å; F267-L428 HydrophobicContact CD2-CD2 4.22Å; F267-L428 HydrophobicContact CE2-CD2 3.65Å; F267-L428 HydrophobicContact CZ-CD2 4.38Å; D424-L428 PolarHBondContact O-N 2.93Å; L425-L428 HydrophobicContact CD1-CB 4.38Å; L425-L428 HydrophobicContact CD1-CD2 3.9Å; L425-L428 WeakPolarHBondContact O-CB 3.45Å; L425-L428 PolarHBondContact O-N 3.47Å; L425-L428 VanDerWaalsContact O-N 3.16Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.14Å; L428-D431 WeakPolarHBondContact O-CB 3.42Å; L428-D431 PolarHBondContact O-N 3.09Å; L428-Y432 HydrophobicContact CD1-CD2 4.1Å; L428-Y432 HydrophobicContact CD1-CE2 3.74Å; L428-Y432 HydrophobicContact CD2-CE2 4.42Å; L428-Y432 HydrophobicContact CG-CD2 4.12Å; L428-Y432 HydrophobicContact CG-CE2 3.93Å; L428-Y432 VanDerWaalsContact O-CD2 3.3Å; L428-Y432 WeakPolarHBondContact O-CD2 3.39Å; L428-Y432 PolarHBondContact O-N 3.32Å; L428-Y432 VanDerWaalsContact O-N 3.12Å
429	E	95.3	Very high	93	Very high	29 Å²	29	54.2 Å²	54.2	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-48.5	173.2	-75.9	180	-168.1	0	0	111.6	W388 A389 D392 L425 A426 A427 D431 Y432 E433	W388-E429 HydrophobicContact CB-CG 3.46Å; W388-E429 VanDerWaalsContact CB-CG 3.46Å; W388-E429 VanDerWaalsContact CB-OE1 3.23Å; W388-E429 WeakPolarHBondContact CB-OE1 3.4Å; W388-E429 HydrophobicContact CG-CG 4.29Å; A389-E429 WeakPolarHBondContact CA-OE1 3.2Å; A389-E429 PolarHBondContact N-OE1 3.39Å; D392-E429 VanDerWaalsContact CG-OE1 3.3Å; L425-E429 PolarHBondContact O-N 3.23Å; A426-E429 PolarHBondContact O-N 2.81Å; A427-E429 VanDerWaalsContact C-N 3.33Å; A427-E429 PolarHBondContact O-N 3.37Å; E429-D431 VanDerWaalsContact C-N 3.34Å; E429-D431 PolarHBondContact O-N 3.1Å; E429-Y432 PolarHBondContact O-N 3.46Å; E429-Y432 VanDerWaalsContact O-N 3.16Å; E429-E433 WeakPolarHBondContact O-CG 3.46Å; E429-E433 PolarHBondContact O-N 3.25Å
430	K	95.2	Very high	91.2	Very high	122 Å²	122	57 Å²	57	53%	0.53	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-39.8	176.6	-69.5	178.4	-178.7	179.1	0	112.3	A426 A427 L428 Y432 E433 E434	A426-K430 WeakPolarHBondContact O-CG 3.49Å; A426-K430 PolarHBondContact O-N 2.53Å; A427-K430 WeakPolarHBondContact O-CB 3.47Å; A427-K430 PolarHBondContact O-N 3.42Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.14Å; K430-Y432 PolarHBondContact O-N 3.34Å; K430-E433 PolarHBondContact O-N 3Å; K430-E433 VanDerWaalsContact O-N 3.1Å; K430-E434 WeakPolarHBondContact O-CB 3.32Å; K430-E434 WeakPolarHBondContact O-CG 3.39Å; K430-E434 PolarHBondContact O-N 3.46Å
431	D	95.6	Very high	89.2	Confident	42 Å²	42	56.9 Å²	56.9	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-56.6	-41.8	175.4	-65.4	-27.5	0	0	0	110.7	R264 I265 A427 L428 E429 V435	R264-D431 IonicContact CZ-OD2 2.8Å; R264-D431 IonicContact NE-OD2 3.72Å; R264-D431 PolarHBondContact NE-OD2 3.03Å; R264-D431 IonicContact NH2-OD2 2.87Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.24Å; A427-D431 VanDerWaalsContact O-CG 3.25Å; A427-D431 PolarHBondContact O-N 3.2Å; L428-D431 WeakPolarHBondContact O-CB 3.42Å; L428-D431 PolarHBondContact O-N 3.09Å; E429-D431 VanDerWaalsContact C-N 3.34Å; E429-D431 PolarHBondContact O-N 3.1Å; D431-V435 WeakPolarHBondContact O-CB 3.46Å; D431-V435 WeakPolarHBondContact O-CG2 3.35Å; D431-V435 PolarHBondContact O-N 2.92Å
432	Y	95.5	Very high	86.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-70.2	-36.8	175.4	-83	-74.9	0	0	0	113.4	I265 F267 M313 T382 I384 W388 L428 E429 K430 G436	I265-Y432 HydrophobicContact CB-CE1 4.27Å; I265-Y432 HydrophobicContact CG2-CD1 3.88Å; I265-Y432 HydrophobicContact CG2-CE1 3.24Å; I265-Y432 HydrophobicContact CG2-CE2 4.45Å; F267-Y432 HydrophobicContact CD2-CE2 4.49Å; F267-Y432 PolarHBondContact N-OH 2.91Å; M313-Y432 HydrophobicContact CE-CD1 3.89Å; M313-Y432 HydrophobicContact CE-CE1 3.73Å; T382-Y432 WeakPolarHBondContact CG2-O 3.07Å; I384-Y432 HydrophobicContact CG2-CD1 3.75Å; I384-Y432 HydrophobicContact CG2-CD2 4.11Å; I384-Y432 HydrophobicContact CG2-CE1 3.33Å; I384-Y432 HydrophobicContact CG2-CE2 3.78Å; I384-Y432 HydrophobicContact CG2-CG 4.11Å; W388-Y432 AromaticContact NE1-CD2 3.8Å; W388-Y432 AromaticContact NE1-CE2 3.48Å; L428-Y432 HydrophobicContact CD1-CD2 4.1Å; L428-Y432 HydrophobicContact CD1-CE2 3.74Å; L428-Y432 HydrophobicContact CD2-CE2 4.42Å; L428-Y432 HydrophobicContact CG-CD2 4.12Å; L428-Y432 HydrophobicContact CG-CE2 3.93Å; L428-Y432 VanDerWaalsContact O-CD2 3.3Å; L428-Y432 WeakPolarHBondContact O-CD2 3.39Å; L428-Y432 PolarHBondContact O-N 3.32Å; L428-Y432 VanDerWaalsContact O-N 3.12Å; E429-Y432 PolarHBondContact O-N 3.46Å; E429-Y432 VanDerWaalsContact O-N 3.16Å; K430-Y432 PolarHBondContact O-N 3.34Å; Y432-G436 PolarHBondContact O-N 2.99Å
433	E	93.1	Very high	84.4	Confident	123 Å²	123	65.5 Å²	65.5	58%	0.575	37%	0.365	S	S	*	.	H	α-helix	trans	-64.1	-51.1	175.5	-71.4	179.6	169.7	0	0	111.2	E429 K430 V435 G436 V437	E429-E433 WeakPolarHBondContact O-CG 3.46Å; E429-E433 PolarHBondContact O-N 3.25Å; K430-E433 PolarHBondContact O-N 3Å; K430-E433 VanDerWaalsContact O-N 3.1Å; E433-V435 VanDerWaalsContact C-N 3.32Å; E433-V435 PolarHBondContact O-N 3.38Å; E433-G436 WeakPolarHBondContact O-CA 3.47Å; E433-G436 PolarHBondContact O-N 3.05Å; E433-V437 PolarHBondContact O-N 2.83Å
434	E	92.8	Very high	81.7	Confident	136 Å²	136	61.9 Å²	61.9	64%	0.636	37%	0.366	S	S	*	.	H	α-helix	trans	-57.7	-43.9	-179	-74.4	-179.3	-171.2	0	0	111.7	K430 G436 V437	K430-E434 WeakPolarHBondContact O-CB 3.32Å; K430-E434 WeakPolarHBondContact O-CG 3.39Å; K430-E434 PolarHBondContact O-N 3.46Å; E434-G436 PolarHBondContact O-N 3.17Å; E434-V437 PolarHBondContact O-N 2.66Å
435	V	91.9	Very high	79.1	Confident	18 Å²	18	70 Å²	70	11%	0.109	40%	0.403	C	S	.	.	H	α-helix	trans	-69.7	-19.2	179.5	175	0	0	0	0	112.8	Y262 I265 M313 W346 D431 E433	Y262-V435 HydrophobicContact CD2-CG2 3.98Å; Y262-V435 HydrophobicContact CE2-CG2 3.66Å; I265-V435 HydrophobicContact CD1-CB 4.19Å; I265-V435 HydrophobicContact CD1-CG2 3.62Å; M313-V435 HydrophobicContact CG-CG1 4.1Å; M313-V435 HydrophobicContact SD-CB 4.44Å; M313-V435 HydrophobicContact SD-CG1 3.42Å; M313-V435 WeakPolarHBondContact SD-CG1 3.25Å; W346-V435 HydrophobicContact CH2-CG1 4.33Å; W346-V435 HydrophobicContact CZ2-CG1 3.35Å; W346-V435 PolarHBondContact NE1-O 3.04Å; D431-V435 WeakPolarHBondContact O-CB 3.46Å; D431-V435 WeakPolarHBondContact O-CG2 3.35Å; D431-V435 PolarHBondContact O-N 2.92Å; E433-V435 VanDerWaalsContact C-N 3.32Å; E433-V435 PolarHBondContact O-N 3.38Å
436	G	89.2	Confident	76.6	Confident	14 Å²	14	72.9 Å²	72.9	14%	0.144	43%	0.433	C	S	.	.	H	α-helix	trans	-85.5	-15.9	175.6	0	0	0	0	0	115.1	K311 Y432 E433 E434	K311-G436 WeakPolarHBondContact CD-O 3.23Å; K311-G436 WeakPolarHBondContact CE-O 3.43Å; K311-G436 PolarHBondContact NZ-O 2.64Å; Y432-G436 PolarHBondContact O-N 2.99Å; E433-G436 WeakPolarHBondContact O-CA 3.47Å; E433-G436 PolarHBondContact O-N 3.05Å; E434-G436 PolarHBondContact O-N 3.17Å
437	V	87.9	Confident	73.7	Confident	74 Å²	74	81 Å²	81	45%	0.448	47%	0.467	S	S	.	.	S	Bend	trans	-68.5	132	176.5	-176.9	0	0	0	0	109	E433 E434 D441	E433-V437 PolarHBondContact O-N 2.83Å; E434-V437 PolarHBondContact O-N 2.66Å; V437-D441 HydrophobicContact CG1-CB 3.95Å
438	D	76	Confident	70.9	Confident	55 Å²	55	83 Å²	83	29%	0.294	49%	0.491	S	S	.	.			trans	-65.5	143.2	176	-72.3	-45.2	0	0	0	109.8	K311 V440 D441 G442	K311-D438 IonicContact NZ-OD1 2.92Å; K311-D438 PolarHBondContact NZ-OD1 3.21Å; K311-D438 IonicContact NZ-OD2 3.41Å; K311-D438 PolarHBondContact NZ-OD2 3.42Å; D438-V440 PolarHBondContact O-N 3.22Å; D438-D441 PolarHBondContact O-N 2.83Å; D438-G442 PolarHBondContact O-N 3.5Å
439	S	68	Low	68.2	Low	74 Å²	74	92 Å²	92	52%	0.517	53%	0.533	S	S	.	.	H	α-helix	trans	-59.1	-26	-179.5	72.8	0	0	0	0	112	D345	D345-S439 WeakPolarHBondContact OD2-CB 3.44Å; D345-S439 PolarHBondContact OD2-N 2.65Å; D345-S439 PolarHBondContact OD2-OG 2.9Å
440	V	59.4	Low	65.3	Low	107 Å²	107	98.4 Å²	98.4	65%	0.648	56%	0.563	S	S	*	*	H	α-helix	trans	-72.4	-30.8	178.2	-169.6	0	0	0	0	112.2	D438	D438-V440 PolarHBondContact O-N 3.22Å
441	D	56.4	Low	63.1	Low	113 Å²	113	106.6 Å²	106.6	60%	0.604	59%	0.593	S	S	*	*	H	α-helix	trans	-78.7	-25.5	178.5	-70.6	-25.3	0	0	0	111.5	V437 D438	V437-D441 HydrophobicContact CG1-CB 3.95Å; D438-D441 PolarHBondContact O-N 2.83Å
442	G	49.6	Very low	61.5	Low	63 Å²	63	109.9 Å²	109.9	65%	0.649	61%	0.611	S	S	*	*	H	α-helix	trans	-73.6	-24.3	177.6	0	0	0	0	0	115.2	D438	D438-G442 PolarHBondContact O-N 3.5Å
443	E	45.2	Very low	59.7	Low	163 Å²	163	115.6 Å²	115.6	76%	0.762	64%	0.643	S	S	*	*	S	Bend	trans	-91.7	-7.6	177.4	-67.3	-176.2	171.7	0	0	112.9	E445 G446	E443-E445 VanDerWaalsContact C-N 3.34Å; E443-E445 PolarHBondContact O-N 3.44Å; E443-G446 PolarHBondContact O-N 3.27Å
444	G	42.4	Very low	57.8	Low	64 Å²	64	115.2 Å²	115.2	66%	0.66	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-7.5	-171	0	0	0	0	0	117.2
445	E	42.2	Very low	55.8	Low	202 Å²	202	114 Å²	114	94%	0.944	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	5.8	176.7	-66.1	-164	163.4	0	0	114	E443	E443-E445 VanDerWaalsContact C-N 3.34Å; E443-E445 PolarHBondContact O-N 3.44Å
446	G	42.7	Very low	53.5	Low	64 Å²	64	120 Å²	120	66%	0.66	68%	0.681	S	S	*	*	S	Bend	trans	-101.5	-24.9	-171.2	0	0	0	0	0	118.1	E443	E443-G446 PolarHBondContact O-N 3.27Å
447	E	37	Very low	51.2	Low	197 Å²	197	127.1 Å²	127.1	92%	0.921	72%	0.717	S	S	*	*			trans	-133.2	74.7	-167.2	-66.4	-168.7	172.3	0	0	112.6
448	G	38.3	Very low	48.5	Very low	81 Å²	81	130.9 Å²	130.9	84%	0.835	74%	0.736	S	S	*	*			trans	-126.4	29.9	167.3	0	0	0	0	0	112.5
449	E	37.7	Very low	46.4	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	77%	0.77	S	S	*	*			trans	-120.7	94.2	167.7	-74.4	-167.2	171.4	0	0	108.8
450	E	36	Very low	44.6	Very low	164 Å²	164	141.9 Å²	141.9	77%	0.766	79%	0.791	S	S	*	*			trans	179.5	97.3	144.6	-101.6	179.6	-165.5	0	0	108.9
451	Y	48.5	Very low	43.3	Very low	295 Å²	295	145.1 Å²	145.1	100%	1.157	80%	0.804	S	S	*	*				179.6	0	117	-84.9	-59.8	0	0	0	111.3

Retrieved 451 of 451 residues in 460.5 ms (Link to these results)

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