G4VKY4_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 , UniProt , Accession G4VKY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 aa.

Structure Viewer

Loading PAE data...

(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	93.2	Very high	113 Å²	113	30 Å²	30	56%	0.557	14%	0.135	S	C	*	.				0	160.4	0	-160.2	173.7	-86.3	0	0	108.3	E3 N50 T130	M1-E3 HydrophobicContact CB-CG 4.12Å; M1-E3 HydrophobicContact CG-CG 4Å; M1-E3 HydrophobicContact SD-CG 3.98Å; M1-N50 HydrophobicContact CE-CB 3.65Å; M1-N50 HydrophobicContact CG-CB 4.44Å; M1-N50 HydrophobicContact SD-CB 3.21Å; M1-N50 WeakPolarHBondContact SD-CB 3.26Å; M1-T130 WeakPolarHBondContact CB-OG1 3.34Å
2	R	83.6	Confident	93.4	Very high	108 Å²	108	29.7 Å²	29.7	41%	0.408	14%	0.142	S	C	.	.			trans	-102.1	56.3	-175.4	-65.9	-168.6	174.4	-171	-4.6	111.1	T51 Q133	R2-T51 WeakPolarHBondContact O-CG2 3.44Å; R2-Q133 HydrophobicContact CB-CG 4.12Å
3	E	93.1	Very high	93.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141	-167.9	-67.2	146.6	116.8	0	0	112.3	M1 T51 R64 C129 T130 G131 L132 Q133	M1-E3 HydrophobicContact CB-CG 4.12Å; M1-E3 HydrophobicContact CG-CG 4Å; M1-E3 HydrophobicContact SD-CG 3.98Å; E3-T51 WeakPolarHBondContact CA-O 3.49Å; E3-R64 IonicContact OE1-CZ 3.87Å; E3-R64 IonicContact OE1-NH1 3.17Å; E3-R64 IonicContact OE1-NH2 2.78Å; E3-R64 PolarHBondContact OE1-NH2 2.69Å; E3-C129 HydrophobicContact CB-CB 4Å; E3-C129 WeakPolarHBondContact OE1-CA 3.47Å; E3-T130 VanDerWaalsContact CD-N 3.33Å; E3-T130 PolarHBondContact OE1-N 3.36Å; E3-T130 WeakPolarHBondContact OE2-CA 3.01Å; E3-T130 PolarHBondContact OE2-N 3.33Å; E3-T130 PolarHBondContact OE2-OG1 3.04Å; E3-G131 PolarHBondContact N-O 2.8Å; E3-G131 PolarHBondContact OE2-N 2.85Å; E3-L132 CarbonylContact O-C 3.53Å; E3-L132 WeakPolarHBondContact O-CA 3.33Å; E3-Q133 PolarHBondContact O-N 2.92Å
4	C	95.1	Very high	94.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.3	179.4	-59.8	0	0	0	0	110.3	T51 F52 R64 L252	C4-T51 PolarHBondContact N-O 3.26Å; C4-F52 HydrophobicContact CB-CD1 4.31Å; C4-F52 HydrophobicContact CB-CE1 3.7Å; C4-F52 HydrophobicContact CB-CZ 4.1Å; C4-R64 WeakPolarHBondContact O-CB 3.42Å; C4-L252 WeakPolarHBondContact SG-CD1 3.46Å
5	I	97.6	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.7	174.6	-65.2	167.1	0	0	0	108.4	V7 R64 L125 A126 L132 G134 F135 L136	I5-V7 HydrophobicContact CG2-CG2 4.25Å; I5-R64 WeakPolarHBondContact CA-O 3.22Å; I5-L125 HydrophobicContact CD1-CB 3.7Å; I5-L125 HydrophobicContact CG1-CB 4.17Å; I5-L125 HydrophobicContact CG2-CD1 4.13Å; I5-A126 HydrophobicContact CD1-CB 4.07Å; I5-L132 HydrophobicContact CB-CD1 4.44Å; I5-L132 HydrophobicContact CD1-CD1 3.77Å; I5-L132 HydrophobicContact CD1-CD2 4.23Å; I5-L132 HydrophobicContact CG1-CD1 3.81Å; I5-G134 PolarHBondContact N-O 3.12Å; I5-G134 VanDerWaalsContact N-O 3.13Å; I5-F135 HydrophobicContact CB-CD1 3.91Å; I5-F135 HydrophobicContact CB-CE1 4.14Å; I5-F135 HydrophobicContact CD1-CE1 4.02Å; I5-F135 HydrophobicContact CG2-CD1 4.21Å; I5-F135 HydrophobicContact CG2-CE1 4.45Å; I5-F135 CarbonylContact O-C 3.53Å; I5-F135 VanDerWaalsContact O-CA 3.27Å; I5-F135 WeakPolarHBondContact O-CA 3.37Å; I5-L136 PolarHBondContact O-N 3.25Å
6	S	98.3	Very high	94.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.2	173.8	-53.2	0	0	0	0	110.6	H8 R64 A65 V66 L136	S6-H8 VanDerWaalsContact CB-NE2 3.33Å; S6-H8 WeakPolarHBondContact CB-NE2 3.32Å; S6-R64 PolarHBondContact N-O 2.91Å; S6-A65 CarbonylContact O-C 3.49Å; S6-A65 WeakPolarHBondContact O-CA 3.37Å; S6-V66 PolarHBondContact O-N 3.07Å; S6-L136 CarbonylContact C-O 3.52Å; S6-L136 VanDerWaalsContact CA-O 3.29Å; S6-L136 WeakPolarHBondContact CA-O 3.26Å
7	V	98.7	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.5	177.3	-170.5	0	0	0	0	108.4	I5 V9 V66 I122 F135 L136 I137 F138 L153	I5-V7 HydrophobicContact CG2-CG2 4.25Å; V7-V9 HydrophobicContact CG1-CG2 3.78Å; V7-V66 CarbonylContact C-O 3.54Å; V7-V66 WeakPolarHBondContact CA-O 3.35Å; V7-I122 HydrophobicContact CG2-CD1 3.98Å; V7-I122 HydrophobicContact CG2-CG1 4.49Å; V7-F135 HydrophobicContact CG2-CD1 4.48Å; V7-L136 PolarHBondContact N-O 3.22Å; V7-I137 HydrophobicContact CB-CG1 4.49Å; V7-I137 CarbonylContact O-C 3.43Å; V7-I137 WeakPolarHBondContact O-CA 3.24Å; V7-F138 PolarHBondContact O-N 2.83Å; V7-L153 HydrophobicContact CG1-CD2 3.79Å
8	H	98.7	Very high	94.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.5	-175.9	-60.6	-77.2	0	0	0	109.1	S6 G13 G17 W21 V66 F67 V68 F138	S6-H8 VanDerWaalsContact CB-NE2 3.33Å; S6-H8 WeakPolarHBondContact CB-NE2 3.32Å; H8-G13 PolarHBondContact ND1-O 2.77Å; H8-G17 WeakPolarHBondContact CE1-CA 3.36Å; H8-G17 WeakPolarHBondContact ND1-CA 3.42Å; H8-W21 AromaticContact CD2-NE1 3.87Å; H8-W21 AromaticContact CE1-NE1 3.96Å; H8-W21 AromaticContact NE2-CD1 3.95Å; H8-W21 AromaticContact NE2-NE1 3.14Å; H8-W21 PolarHBondContact NE2-NE1 2.76Å; H8-W21 VanDerWaalsContact NE2-NE1 3.14Å; H8-V66 PolarHBondContact N-O 3.02Å; H8-F67 HydrophobicContact CB-CD1 3.54Å; H8-F67 HydrophobicContact CB-CE1 3.82Å; H8-F67 HydrophobicContact CB-CG 4.11Å; H8-F67 AromaticContact CD2-CE1 3.76Å; H8-F67 AromaticContact CD2-CE2 3.91Å; H8-F67 AromaticContact CD2-CZ 3.66Å; H8-F67 AromaticContact CG-CD1 3.95Å; H8-F67 AromaticContact CG-CE1 3.72Å; H8-F67 CarbonylContact O-C 3.43Å; H8-F67 WeakPolarHBondContact O-CA 3.23Å; H8-V68 PolarHBondContact O-N 2.72Å; H8-F138 AromaticContact CE1-CD2 3.17Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.48Å; H8-F138 AromaticContact CE1-CE2 3.44Å; H8-F138 VanDerWaalsContact CE1-CE2 3.44Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.46Å; H8-F138 AromaticContact CE1-CG 3.55Å; H8-F138 WeakPolarHBondContact ND1-CB 3.16Å; H8-F138 AromaticContact ND1-CD2 3.34Å; H8-F138 VanDerWaalsContact ND1-CD2 3.34Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.45Å; H8-F138 AromaticContact ND1-CG 3.36Å; H8-F138 WeakPolarHBondContact ND1-CG 3.36Å
9	V	98.5	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.6	-168.2	-175.1	0	0	0	0	112.1	V7 G13 V68 F138 H139 T145 F149 T150 L153	V7-V9 HydrophobicContact CG1-CG2 3.78Å; V9-G13 WeakPolarHBondContact O-CA 3.38Å; V9-G13 PolarHBondContact O-N 3.12Å; V9-V68 WeakPolarHBondContact CA-O 3.33Å; V9-F138 PolarHBondContact N-O 2.79Å; V9-H139 HydrophobicContact CB-CB 4.37Å; V9-T145 HydrophobicContact CG1-CG2 3.95Å; V9-F149 HydrophobicContact CG1-CD1 3.65Å; V9-F149 HydrophobicContact CG1-CE1 4.41Å; V9-T150 VanDerWaalsContact CG1-OG1 3.27Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.2Å; V9-L153 HydrophobicContact CG2-CD2 4.44Å
10	G	97.2	Very high	94.9	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	69.4	177.4	179.7	0	0	0	0	0	113.3	A12 G13 V14 V68 D69	G10-A12 PolarHBondContact O-N 3.25Å; G10-G13 PolarHBondContact O-N 2.65Å; G10-G13 VanDerWaalsContact O-N 3.15Å; G10-V14 VanDerWaalsContact O-CG2 3.32Å; G10-V14 WeakPolarHBondContact O-CG2 3.43Å; G10-V14 PolarHBondContact O-N 3.14Å; G10-V68 PolarHBondContact N-O 2.86Å; G10-D69 VanDerWaalsContact C-OD2 3.29Å; G10-D69 WeakPolarHBondContact CA-OD2 3.38Å
11	Q	95.6	Very high	95	Very high	103 Å²	103	22.7 Å²	22.7	48%	0.481	11%	0.113	S	C	.	.	H	α-helix	trans	-48.4	-53.5	-177.5	-171.6	-177.5	-37.8	0	0	114.2	Q15 D69 V74	Q11-Q15 WeakPolarHBondContact O-CB 3.14Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.27Å; Q11-Q15 PolarHBondContact O-N 3.08Å; Q11-D69 PolarHBondContact N-OD2 2.71Å; Q11-V74 HydrophobicContact CG-CB 4.45Å; Q11-V74 HydrophobicContact CG-CG2 4.18Å
12	A	95.7	Very high	96.2	Very high	26 Å²	26	19.3 Å²	19.3	22%	0.215	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-46.3	-179.2	0	0	0	0	0	111.8	G10 Q15 M16 V171	G10-A12 PolarHBondContact O-N 3.25Å; A12-Q15 PolarHBondContact O-N 2.95Å; A12-M16 WeakPolarHBondContact O-CB 3.28Å; A12-M16 VanDerWaalsContact O-CG 3.28Å; A12-M16 WeakPolarHBondContact O-CG 2.98Å; A12-M16 PolarHBondContact O-N 2.9Å; A12-V171 HydrophobicContact CB-CG2 4.38Å
13	G	97.8	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.1	-48.3	179.5	0	0	0	0	0	112.5	H8 V9 G10 M16 G17 F138	H8-G13 PolarHBondContact ND1-O 2.77Å; V9-G13 WeakPolarHBondContact O-CA 3.38Å; V9-G13 PolarHBondContact O-N 3.12Å; G10-G13 PolarHBondContact O-N 2.65Å; G10-G13 VanDerWaalsContact O-N 3.15Å; G13-M16 PolarHBondContact O-N 3.44Å; G13-G17 PolarHBondContact O-N 3.49Å; G13-F138 VanDerWaalsContact CA-O 3.25Å; G13-F138 WeakPolarHBondContact CA-O 3.48Å
14	V	98.2	Very high	96.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-63.2	-43.9	179.6	173.8	0	0	0	0	111.5	G10 G17 N18 F67 V74 V75 V78	G10-V14 VanDerWaalsContact O-CG2 3.32Å; G10-V14 WeakPolarHBondContact O-CG2 3.43Å; G10-V14 PolarHBondContact O-N 3.14Å; V14-G17 PolarHBondContact O-N 3.38Å; V14-N18 PolarHBondContact O-N 3.4Å; V14-F67 HydrophobicContact CB-CD1 4.17Å; V14-F67 HydrophobicContact CG1-CD1 3.84Å; V14-F67 HydrophobicContact CG1-CE1 4.38Å; V14-F67 HydrophobicContact CG2-CB 4.44Å; V14-F67 HydrophobicContact CG2-CD1 4.07Å; V14-V74 HydrophobicContact CB-CG1 3.91Å; V14-V74 HydrophobicContact CB-CG2 3.88Å; V14-V74 HydrophobicContact CG1-CB 4.35Å; V14-V74 HydrophobicContact CG1-CG1 4.01Å; V14-V74 HydrophobicContact CG1-CG2 3.7Å; V14-V74 HydrophobicContact CG2-CG1 3.97Å; V14-V75 HydrophobicContact CG1-CG2 4.46Å; V14-V75 HydrophobicContact CG2-CG2 4.04Å; V14-V78 HydrophobicContact CG1-CG2 3.79Å
15	Q	97.2	Very high	96.9	Very high	40 Å²	40	14.5 Å²	14.5	19%	0.187	8%	0.078	C	C	.	.	H	α-helix	trans	-68.9	-40.6	-179.9	-69.8	178.5	-22.1	0	0	112.5	Q11 A12 G17 N18 A19 V74 N228	Q11-Q15 WeakPolarHBondContact O-CB 3.14Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.27Å; Q11-Q15 PolarHBondContact O-N 3.08Å; A12-Q15 PolarHBondContact O-N 2.95Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-N18 PolarHBondContact O-N 3.23Å; Q15-A19 PolarHBondContact O-N 3.43Å; Q15-V74 HydrophobicContact CG-CG2 3.65Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.22Å
16	M	97.6	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-46.7	170.9	-74	-172.4	-65.6	0	0	110.6	A12 G13 N18 A19 C20 F138 H139 V171 N228 I231	A12-M16 WeakPolarHBondContact O-CB 3.28Å; A12-M16 VanDerWaalsContact O-CG 3.28Å; A12-M16 WeakPolarHBondContact O-CG 2.98Å; A12-M16 PolarHBondContact O-N 2.9Å; G13-M16 PolarHBondContact O-N 3.44Å; M16-N18 PolarHBondContact O-N 3.48Å; M16-A19 PolarHBondContact O-N 3.09Å; M16-C20 PolarHBondContact O-N 3.31Å; M16-C20 PolarHBondContact O-SG 3.03Å; M16-F138 HydrophobicContact CB-CD1 4.33Å; M16-F138 HydrophobicContact CE-CB 4.17Å; M16-H139 WeakPolarHBondContact CE-O 3.41Å; M16-V171 HydrophobicContact CE-CG2 3.93Å; M16-V171 HydrophobicContact SD-CG2 3.7Å; M16-N228 WeakPolarHBondContact CG-OD1 3.44Å; M16-I231 HydrophobicContact CG-CD1 4.16Å; M16-I231 HydrophobicContact CG-CG2 4.34Å; M16-I231 HydrophobicContact SD-CD1 3.92Å; M16-I231 HydrophobicContact SD-CG2 3.98Å
17	G	97.1	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.5	-48.1	178.3	0	0	0	0	0	112.7	H8 G13 V14 Q15 A19 C20 W21	H8-G17 WeakPolarHBondContact CE1-CA 3.36Å; H8-G17 WeakPolarHBondContact ND1-CA 3.42Å; G13-G17 PolarHBondContact O-N 3.49Å; V14-G17 PolarHBondContact O-N 3.38Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; G17-A19 VanDerWaalsContact C-N 3.29Å; G17-A19 PolarHBondContact O-N 3.09Å; G17-C20 PolarHBondContact O-N 3.49Å; G17-C20 VanDerWaalsContact O-N 3.1Å; G17-W21 PolarHBondContact O-N 3.42Å
18	N	95.5	Very high	96.2	Very high	60 Å²	60	19.2 Å²	19.2	32%	0.321	10%	0.101	S	C	.	.	H	α-helix	trans	-57.3	-42.7	179.4	-167.8	40.6	0	0	0	112.1	V14 Q15 M16 E22	V14-N18 PolarHBondContact O-N 3.4Å; Q15-N18 PolarHBondContact O-N 3.23Å; M16-N18 PolarHBondContact O-N 3.48Å; N18-E22 PolarHBondContact O-N 2.73Å; N18-E22 VanDerWaalsContact O-N 3.16Å
19	A	95.9	Very high	95.8	Very high	16 Å²	16	21 Å²	21	13%	0.132	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-38.7	175.8	0	0	0	0	0	112.7	Q15 M16 G17 L23 N228	Q15-A19 PolarHBondContact O-N 3.43Å; M16-A19 PolarHBondContact O-N 3.09Å; G17-A19 VanDerWaalsContact C-N 3.29Å; G17-A19 PolarHBondContact O-N 3.09Å; A19-L23 PolarHBondContact O-N 2.94Å; A19-N228 HydrophobicContact CB-CB 3.77Å
20	C	96.8	Very high	95.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-66.2	-44.2	178.4	-65.2	0	0	0	0	112.2	M16 G17 L23 Y24 V235	M16-C20 PolarHBondContact O-N 3.31Å; M16-C20 PolarHBondContact O-SG 3.03Å; G17-C20 PolarHBondContact O-N 3.49Å; G17-C20 VanDerWaalsContact O-N 3.1Å; C20-L23 WeakPolarHBondContact O-CB 3.31Å; C20-L23 PolarHBondContact O-N 3.3Å; C20-Y24 PolarHBondContact O-N 2.85Å; C20-V235 HydrophobicContact CB-CG1 4.46Å
21	W	97	Very high	95.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-71	-34.6	-179.3	-73.5	107.8	0	0	0	112.9	H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87	H8-W21 AromaticContact CD2-NE1 3.87Å; H8-W21 AromaticContact CE1-NE1 3.96Å; H8-W21 AromaticContact NE2-CD1 3.95Å; H8-W21 AromaticContact NE2-NE1 3.14Å; H8-W21 PolarHBondContact NE2-NE1 2.76Å; H8-W21 VanDerWaalsContact NE2-NE1 3.14Å; G17-W21 PolarHBondContact O-N 3.42Å; W21-L23 VanDerWaalsContact C-N 3.28Å; W21-L23 PolarHBondContact O-N 2.79Å; W21-Y24 HydrophobicContact CD2-CD2 4.14Å; W21-Y24 AromaticContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CH2-CD2 4.38Å; W21-Y24 AromaticContact CZ3-CD2 3.85Å; W21-Y24 HydrophobicContact CZ3-CD2 3.85Å; W21-Y24 PolarHBondContact O-N 3.44Å; W21-C25 WeakPolarHBondContact O-CB 3.45Å; W21-C25 PolarHBondContact O-N 2.94Å; W21-C25 PolarHBondContact O-SG 3.05Å; W21-F52 HydrophobicContact CH2-CB 3.89Å; W21-F52 HydrophobicContact CH2-CD1 4.28Å; W21-F52 WeakPolarHBondContact CH2-O 3.41Å; W21-F52 HydrophobicContact CZ3-CB 4.02Å; W21-F53 HydrophobicContact CE3-CE1 4.08Å; W21-F53 HydrophobicContact CE3-CE2 4.38Å; W21-F53 AromaticContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CZ3-CD1 4.47Å; W21-F53 HydrophobicContact CZ3-CD2 4.45Å; W21-F53 AromaticContact CZ3-CE1 3.98Å; W21-F53 HydrophobicContact CZ3-CE1 3.98Å; W21-F53 AromaticContact CZ3-CE2 3.94Å; W21-F53 HydrophobicContact CZ3-CE2 3.94Å; W21-F53 AromaticContact CZ3-CZ 3.68Å; W21-F53 HydrophobicContact CZ3-CZ 3.68Å; W21-P63 HydrophobicContact CD2-CB 4.01Å; W21-P63 HydrophobicContact CD2-CG 4.16Å; W21-P63 HydrophobicContact CE3-CB 3.74Å; W21-P63 HydrophobicContact CE3-CG 3.75Å; W21-P63 HydrophobicContact CH2-CB 3.64Å; W21-P63 HydrophobicContact CH2-CG 4.5Å; W21-P63 HydrophobicContact CZ2-CB 3.9Å; W21-P63 HydrophobicContact CZ3-CB 3.54Å; W21-P63 HydrophobicContact CZ3-CG 3.93Å; W21-A65 HydrophobicContact CH2-CB 4.47Å; W21-A65 HydrophobicContact CZ2-CB 3.57Å; W21-F67 AromaticContact CD1-CZ 3.62Å; W21-F67 AromaticContact NE1-CZ 3.84Å; W21-F87 HydrophobicContact CB-CE1 4.21Å; W21-F87 HydrophobicContact CB-CZ 3.79Å; W21-F87 AromaticContact CD1-CE1 3.78Å; W21-F87 AromaticContact CD1-CZ 3.9Å; W21-F87 HydrophobicContact CD2-CE1 4.18Å; W21-F87 AromaticContact CG-CE1 3.79Å; W21-F87 HydrophobicContact CG-CE1 3.79Å; W21-F87 AromaticContact CG-CZ 3.83Å; W21-F87 HydrophobicContact CG-CZ 3.83Å
22	E	96.1	Very high	95.4	Very high	43 Å²	43	22.5 Å²	22.5	20%	0.201	13%	0.132	C	C	.	.	H	α-helix	trans	-54.7	-47.7	167.6	163.1	160	-111.3	0	0	110.6	N18 C25 L26 Y83 V363	N18-E22 PolarHBondContact O-N 2.73Å; N18-E22 VanDerWaalsContact O-N 3.16Å; E22-C25 PolarHBondContact O-N 3.17Å; E22-L26 HydrophobicContact CG-CD1 4.21Å; E22-L26 WeakPolarHBondContact O-CG 3.38Å; E22-L26 PolarHBondContact O-N 2.74Å; E22-L26 VanDerWaalsContact O-N 3.08Å; E22-Y83 HydrophobicContact CB-CD2 4.48Å; E22-Y83 HydrophobicContact CB-CE2 3.68Å; E22-Y83 HydrophobicContact CG-CE2 3.97Å; E22-Y83 WeakPolarHBondContact CG-OH 3.47Å; E22-Y83 PolarHBondContact OE1-OH 3.49Å; E22-V363 HydrophobicContact CG-CG1 4.39Å; E22-V363 HydrophobicContact CG-CG2 3.85Å
23	L	95	Very high	95.4	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-43.6	178.8	-176.7	58.9	0	0	0	112.4	A19 C20 W21 C25 L26 E27 G232 T361	A19-L23 PolarHBondContact O-N 2.94Å; C20-L23 WeakPolarHBondContact O-CB 3.31Å; C20-L23 PolarHBondContact O-N 3.3Å; W21-L23 VanDerWaalsContact C-N 3.28Å; W21-L23 PolarHBondContact O-N 2.79Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.03Å; L23-L26 PolarHBondContact O-N 3.47Å; L23-E27 HydrophobicContact CD1-CG 4.24Å; L23-E27 HydrophobicContact CG-CG 4.4Å; L23-E27 WeakPolarHBondContact O-CB 3.49Å; L23-E27 WeakPolarHBondContact O-CG 3.49Å; L23-E27 PolarHBondContact O-N 2.84Å; L23-G232 WeakPolarHBondContact CD2-O 3.49Å; L23-T361 HydrophobicContact CD1-CG2 4.1Å; L23-T361 WeakPolarHBondContact CD1-O 3.36Å
24	Y	95.3	Very high	95.2	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-40.4	176.4	-67.4	-16.6	0	0	0	112.7	C20 W21 L26 E27 H28 F52 V235 T239	C20-Y24 PolarHBondContact O-N 2.85Å; W21-Y24 HydrophobicContact CD2-CD2 4.14Å; W21-Y24 AromaticContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CE3-CD2 3.71Å; W21-Y24 HydrophobicContact CH2-CD2 4.38Å; W21-Y24 AromaticContact CZ3-CD2 3.85Å; W21-Y24 HydrophobicContact CZ3-CD2 3.85Å; W21-Y24 PolarHBondContact O-N 3.44Å; Y24-L26 VanDerWaalsContact C-N 3.35Å; Y24-L26 PolarHBondContact O-N 3.13Å; Y24-E27 PolarHBondContact O-N 3.39Å; Y24-H28 PolarHBondContact O-CD2 3.45Å; Y24-H28 VanDerWaalsContact O-CD2 3.24Å; Y24-H28 PolarHBondContact O-N 3.29Å; Y24-F52 HydrophobicContact CE2-CD1 4.48Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.03Å; Y24-T239 VanDerWaalsContact OH-CG2 3.32Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.36Å; Y24-T239 PolarHBondContact OH-OG1 3.19Å
25	C	95.3	Very high	94.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-46.8	173.8	-82.9	0	0	0	0	111.4	W21 E22 L23 H28 G29 I30 Y83 L86	W21-C25 WeakPolarHBondContact O-CB 3.45Å; W21-C25 PolarHBondContact O-N 2.94Å; W21-C25 PolarHBondContact O-SG 3.05Å; E22-C25 PolarHBondContact O-N 3.17Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.03Å; C25-H28 PolarHBondContact O-N 3.12Å; C25-G29 CarbonylContact O-C 3.58Å; C25-G29 PolarHBondContact O-N 3.44Å; C25-I30 CarbonylContact C-O 3.58Å; C25-I30 HydrophobicContact CB-CB 4.44Å; C25-I30 VanDerWaalsContact CB-O 3.29Å; C25-I30 WeakPolarHBondContact CB-O 3.46Å; C25-I30 PolarHBondContact O-N 3.47Å; C25-Y83 HydrophobicContact CB-CE1 4.03Å; C25-L86 VanDerWaalsContact SG-CD2 3.54Å
26	L	94.4	Very high	94.5	Very high	61 Å²	61	31.6 Å²	31.6	32%	0.319	17%	0.166	S	C	.	.	H	α-helix	trans	-64.9	-40	177.9	-67	170.6	0	0	0	112.6	E22 L23 Y24 G29 T361 V363	E22-L26 HydrophobicContact CG-CD1 4.21Å; E22-L26 WeakPolarHBondContact O-CG 3.38Å; E22-L26 PolarHBondContact O-N 2.74Å; E22-L26 VanDerWaalsContact O-N 3.08Å; L23-L26 PolarHBondContact O-N 3.47Å; Y24-L26 VanDerWaalsContact C-N 3.35Å; Y24-L26 PolarHBondContact O-N 3.13Å; L26-G29 PolarHBondContact O-N 3.1Å; L26-T361 HydrophobicContact CB-CG2 3.75Å; L26-V363 HydrophobicContact CD1-CB 4.32Å; L26-V363 HydrophobicContact CD1-CG1 4.5Å; L26-V363 HydrophobicContact CD1-CG2 4.04Å
27	E	93.4	Very high	93.6	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-35.2	179.4	-74.4	-176.7	143.8	0	0	112.9	L23 Y24 S236 R243 F244 R320 T361	L23-E27 HydrophobicContact CD1-CG 4.24Å; L23-E27 HydrophobicContact CG-CG 4.4Å; L23-E27 WeakPolarHBondContact O-CB 3.49Å; L23-E27 WeakPolarHBondContact O-CG 3.49Å; L23-E27 PolarHBondContact O-N 2.84Å; Y24-E27 PolarHBondContact O-N 3.39Å; E27-S236 VanDerWaalsContact CD-OG 3.24Å; E27-S236 PolarHBondContact OE1-OG 2.8Å; E27-S236 PolarHBondContact OE2-OG 2.76Å; E27-S236 VanDerWaalsContact OE2-OG 3.08Å; E27-R243 IonicContact OE1-NH2 3.12Å; E27-R243 IonicContact OE2-CZ 2.61Å; E27-R243 IonicContact OE2-NH1 3Å; E27-R243 PolarHBondContact OE2-NH1 2.82Å; E27-R243 IonicContact OE2-NH2 2.69Å; E27-R243 PolarHBondContact OE2-NH2 2.91Å; E27-F244 HydrophobicContact CB-CE2 4.38Å; E27-F244 HydrophobicContact CB-CZ 3.92Å; E27-R320 IonicContact OE1-CZ 3.13Å; E27-R320 IonicContact OE1-NH1 3.81Å; E27-R320 IonicContact OE1-NH2 2.77Å; E27-R320 PolarHBondContact OE1-NH2 3.23Å; E27-T361 HydrophobicContact CG-CG2 4.27Å; E27-T361 WeakPolarHBondContact CG-OG1 3.49Å
28	H	92.2	Very high	92.2	Very high	25 Å²	25	40.8 Å²	40.8	12%	0.116	23%	0.228	C	C	.	.	H	α-helix	trans	-96.4	-0.4	179.3	-67.9	-69.3	0	0	0	114	Y24 C25 I30 F49 R243 F244	Y24-H28 PolarHBondContact O-CD2 3.45Å; Y24-H28 VanDerWaalsContact O-CD2 3.24Å; Y24-H28 PolarHBondContact O-N 3.29Å; C25-H28 PolarHBondContact O-N 3.12Å; H28-I30 VanDerWaalsContact C-N 3.26Å; H28-I30 HydrophobicContact CB-CD1 3.9Å; H28-I30 HydrophobicContact CB-CG1 4.02Å; H28-I30 PolarHBondContact O-N 3.02Å; H28-F49 HydrophobicContact CB-CB 4.32Å; H28-R243 PolarHBondContact NE2-NH1 2.96Å; H28-R243 VanDerWaalsContact NE2-NH1 3.16Å; H28-F244 AromaticContact CE1-CE1 3.46Å; H28-F244 VanDerWaalsContact CE1-CE1 3.46Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.27Å; H28-F244 AromaticContact CE1-CZ 3.42Å; H28-F244 VanDerWaalsContact CE1-CZ 3.42Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.37Å; H28-F244 AromaticContact ND1-CE1 3.74Å; H28-F244 AromaticContact ND1-CZ 3.89Å; H28-F244 AromaticContact NE2-CZ 3.76Å
29	G	91.3	Very high	90.4	Very high	39 Å²	39	44.6 Å²	44.6	40%	0.402	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	25.1	-176.9	0	0	0	0	0	114.1	C25 L26 P37	C25-G29 CarbonylContact O-C 3.58Å; C25-G29 PolarHBondContact O-N 3.44Å; L26-G29 PolarHBondContact O-N 3.1Å; G29-P37 WeakPolarHBondContact O-CD 3.39Å
30	I	93.3	Very high	88.4	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.041	28%	0.284	C	S	.	.			trans	-87	125.7	176.6	-61.2	169.8	0	0	0	108.3	C25 H28 M36 F49 F53 H61 L86	C25-I30 CarbonylContact C-O 3.58Å; C25-I30 HydrophobicContact CB-CB 4.44Å; C25-I30 VanDerWaalsContact CB-O 3.29Å; C25-I30 WeakPolarHBondContact CB-O 3.46Å; C25-I30 PolarHBondContact O-N 3.47Å; H28-I30 VanDerWaalsContact C-N 3.26Å; H28-I30 HydrophobicContact CB-CD1 3.9Å; H28-I30 HydrophobicContact CB-CG1 4.02Å; H28-I30 PolarHBondContact O-N 3.02Å; I30-M36 HydrophobicContact CG1-CG 4.11Å; I30-F49 HydrophobicContact CD1-CB 4.39Å; I30-F53 HydrophobicContact CD1-CD1 3.98Å; I30-F53 HydrophobicContact CD1-CD2 3.89Å; I30-F53 HydrophobicContact CD1-CE1 3.92Å; I30-F53 HydrophobicContact CD1-CE2 3.84Å; I30-F53 HydrophobicContact CD1-CG 3.97Å; I30-F53 HydrophobicContact CD1-CZ 3.85Å; I30-H61 HydrophobicContact CD1-CB 3.98Å; I30-H61 HydrophobicContact CG2-CB 4.32Å; I30-L86 HydrophobicContact CG2-CD1 4.3Å
31	Q	94.4	Very high	85.9	Confident	97 Å²	97	59.7 Å²	59.7	45%	0.453	32%	0.322	S	S	.	.			trans	-71.7	163.8	176.6	-63.4	-177.6	-8.7	0	0	111.3	D33 G34 R35	Q31-D33 WeakPolarHBondContact CB-OD1 3.08Å; Q31-D33 PolarHBondContact O-N 3.35Å; Q31-G34 PolarHBondContact O-N 3.14Å; Q31-R35 VanDerWaalsContact CB-O 3.31Å; Q31-R35 WeakPolarHBondContact CB-O 3.37Å; Q31-R35 WeakPolarHBondContact CG-O 3.34Å; Q31-R35 PolarHBondContact N-O 3.18Å
32	A	94.8	Very high	83.5	Confident	30 Å²	30	66.3 Å²	66.3	25%	0.248	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.7	-177.9	0	0	0	0	0	114.7	T82 Y83 L86	A32-T82 HydrophobicContact CB-CG2 4.23Å; A32-Y83 HydrophobicContact CB-CD1 3.62Å; A32-Y83 HydrophobicContact CB-CE1 3.72Å; A32-Y83 HydrophobicContact CB-CG 4.24Å; A32-L86 PolarHBondContact O-N 3.35Å
33	D	94.1	Very high	81.1	Confident	39 Å²	39	67.1 Å²	67.1	21%	0.209	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.1	173.3	72.8	-15.8	0	0	0	113.6	Q31 R35 K60 Q85	Q31-D33 WeakPolarHBondContact CB-OD1 3.08Å; Q31-D33 PolarHBondContact O-N 3.35Å; D33-R35 WeakPolarHBondContact OD1-CB 3.46Å; D33-R35 PolarHBondContact OD1-N 3.01Å; D33-R35 WeakPolarHBondContact OD2-CD 3.22Å; D33-K60 WeakPolarHBondContact O-CE 3.49Å; D33-Q85 HydrophobicContact CB-CB 4.22Å
34	G	93.9	Very high	78.6	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	83	7.5	-177.7	0	0	0	0	0	114.6	Q31 H61	Q31-G34 PolarHBondContact O-N 3.14Å; G34-H61 WeakPolarHBondContact CA-O 3.49Å; G34-H61 WeakPolarHBondContact O-CB 3.38Å; G34-H61 PolarHBondContact O-N 2.82Å; G34-H61 PolarHBondContact O-ND1 2.91Å
35	R	92.9	Very high	76.6	Confident	148 Å²	148	73.8 Å²	73.8	56%	0.558	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-95.7	148.3	178.8	-63.8	-174.2	171.9	177.3	-2	111.9	Q31 D33	Q31-R35 VanDerWaalsContact CB-O 3.31Å; Q31-R35 WeakPolarHBondContact CB-O 3.37Å; Q31-R35 WeakPolarHBondContact CG-O 3.34Å; Q31-R35 PolarHBondContact N-O 3.18Å; D33-R35 WeakPolarHBondContact OD1-CB 3.46Å; D33-R35 PolarHBondContact OD1-N 3.01Å; D33-R35 WeakPolarHBondContact OD2-CD 3.22Å
36	M	87.7	Confident	75.2	Confident	72 Å²	72	77.3 Å²	77.3	36%	0.355	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-94.6	146.1	167.3	-71	-163.7	-84.5	0	0	110.1	I30 F49 H61	I30-M36 HydrophobicContact CG1-CG 4.11Å; M36-F49 HydrophobicContact CE-CE1 3.91Å; M36-F49 HydrophobicContact CE-CZ 3.94Å; M36-H61 WeakPolarHBondContact CE-CE1 3.37Å; M36-H61 WeakPolarHBondContact CE-NE2 3.38Å
37	P	79.6	Confident	74.3	Confident	81 Å²	81	79.3 Å²	79.3	53%	0.526	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-55.3	140.5	173.5	-23.2	32.3	0	0	0	112.2	G29 D39	G29-P37 WeakPolarHBondContact O-CD 3.39Å; P37-D39 VanDerWaalsContact C-N 3.26Å; P37-D39 PolarHBondContact O-N 2.68Å
38	S	67.7	Low	73.7	Confident	112 Å²	112	79.4 Å²	79.4	78%	0.783	49%	0.485	S	S	*	.	S	Bend	trans	-69.2	-20.4	-178.3	52.3	0	0	0	0	114.3	K40	S38-K40 PolarHBondContact O-N 3.11Å
39	D	57.5	Low	73.3	Confident	139 Å²	139	79.1 Å²	79.1	74%	0.743	48%	0.483	S	S	*	.	S	Bend	trans	-75.9	93.4	-178.6	-83.5	-21.7	0	0	0	111.1	P37 T41	P37-D39 VanDerWaalsContact C-N 3.26Å; P37-D39 PolarHBondContact O-N 2.68Å; D39-T41 VanDerWaalsContact C-N 3.31Å; D39-T41 PolarHBondContact O-N 3.04Å
40	K	53.1	Low	73.2	Confident	201 Å²	201	78.1 Å²	78.1	87%	0.874	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	71.6	178.8	-70.2	-175.6	171.3	-175	0	114.5	S38	S38-K40 PolarHBondContact O-N 3.11Å
41	T	44.7	Very low	73.1	Confident	134 Å²	134	78 Å²	78	82%	0.822	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-7.9	158.9	41.2	0	0	0	0	115.7	D39	D39-T41 VanDerWaalsContact C-N 3.31Å; D39-T41 PolarHBondContact O-N 3.04Å
42	V	46.6	Very low	73.2	Confident	141 Å²	141	73.4 Å²	73.4	86%	0.855	45%	0.447	S	S	*	.	S	Bend	trans	-108.3	-10.6	178.8	-174.8	0	0	0	0	114.1
43	G	46.8	Very low	73.2	Confident	59 Å²	59	72 Å²	72	61%	0.608	44%	0.436	S	S	*	.			trans	-114.3	46.4	-179.2	0	0	0	0	0	114	G45	G43-G45 PolarHBondContact O-N 3.37Å
44	G	42.4	Very low	73.1	Confident	75 Å²	75	71 Å²	71	77%	0.773	43%	0.432	S	S	*	.	S	Bend	trans	-64.6	92.1	179.5	0	0	0	0	0	112	D46	G44-D46 PolarHBondContact O-N 3.5Å
45	G	52.2	Low	73	Confident	73 Å²	73	76.4 Å²	76.4	75%	0.753	46%	0.457	S	S	*	.	S	Bend	trans	58.8	13.4	166.2	0	0	0	0	0	116.7	G43 D47	G43-G45 PolarHBondContact O-N 3.37Å; G45-D47 PolarHBondContact O-N 3.44Å
46	D	65.4	Low	72.8	Confident	74 Å²	74	71.8 Å²	71.8	40%	0.396	45%	0.445	S	S	.	.			trans	-86.2	91.6	-179.1	-173.2	18	0	0	0	110.1	G44 S48 F49	G44-D46 PolarHBondContact O-N 3.5Å; D46-S48 PolarHBondContact O-N 2.94Å; D46-S48 VanDerWaalsContact O-N 3.14Å; D46-S48 WeakPolarHBondContact OD1-CB 3.5Å; D46-S48 PolarHBondContact OD1-N 3.01Å; D46-S48 VanDerWaalsContact OD1-N 3.16Å; D46-S48 PolarHBondContact OD1-OG 3.14Å; D46-S48 PolarHBondContact OD2-OG 2.98Å; D46-F49 WeakPolarHBondContact O-CD1 3.38Å; D46-F49 WeakPolarHBondContact O-CE1 3.25Å
47	D	75.6	Confident	72.7	Confident	103 Å²	103	73 Å²	73	55%	0.551	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-72.3	8.9	175.3	-75.2	-22.8	0	0	0	112.9	G45 F49 N50	G45-D47 PolarHBondContact O-N 3.44Å; D47-F49 PolarHBondContact O-N 3.31Å; D47-N50 WeakPolarHBondContact CB-ND2 3.37Å; D47-N50 VanDerWaalsContact O-CB 3.25Å; D47-N50 WeakPolarHBondContact O-CB 3.39Å; D47-N50 PolarHBondContact O-N 3.11Å; D47-N50 PolarHBondContact O-ND2 3.47Å
48	S	80.8	Confident	73.1	Confident	17 Å²	17	73.5 Å²	73.5	12%	0.119	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-63.6	-25.9	-172.8	66.3	0	0	0	0	115.3	D46 N50 T51 R243	D46-S48 PolarHBondContact O-N 2.94Å; D46-S48 VanDerWaalsContact O-N 3.14Å; D46-S48 WeakPolarHBondContact OD1-CB 3.5Å; D46-S48 PolarHBondContact OD1-N 3.01Å; D46-S48 VanDerWaalsContact OD1-N 3.16Å; D46-S48 PolarHBondContact OD1-OG 3.14Å; D46-S48 PolarHBondContact OD2-OG 2.98Å; S48-N50 PolarHBondContact O-N 3.47Å; S48-T51 WeakPolarHBondContact O-CB 3.23Å; S48-T51 PolarHBondContact O-N 2.9Å; S48-T51 PolarHBondContact O-OG1 3.23Å; S48-R243 WeakPolarHBondContact CB-O 3.33Å; S48-R243 PolarHBondContact OG-O 2.86Å
49	F	84.8	Confident	74.1	Confident	19 Å²	19	69.5 Å²	69.5	8%	0.083	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-62	-25.4	173.5	54.7	-99.7	0	0	0	111.7	H28 I30 M36 D46 D47 T51 F52 F53 H61	H28-F49 HydrophobicContact CB-CB 4.32Å; I30-F49 HydrophobicContact CD1-CB 4.39Å; M36-F49 HydrophobicContact CE-CE1 3.91Å; M36-F49 HydrophobicContact CE-CZ 3.94Å; D46-F49 WeakPolarHBondContact O-CD1 3.38Å; D46-F49 WeakPolarHBondContact O-CE1 3.25Å; D47-F49 PolarHBondContact O-N 3.31Å; F49-T51 PolarHBondContact O-N 2.98Å; F49-T51 VanDerWaalsContact O-N 3.08Å; F49-F52 PolarHBondContact O-N 2.69Å; F49-F53 HydrophobicContact CB-CD2 4.16Å; F49-F53 WeakPolarHBondContact O-CB 3.33Å; F49-F53 WeakPolarHBondContact O-CD2 3.37Å; F49-F53 PolarHBondContact O-N 2.74Å; F49-H61 AromaticContact CD2-CD2 3.53Å; F49-H61 AromaticContact CD2-NE2 3.95Å; F49-H61 AromaticContact CE2-CD2 3.38Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.45Å; F49-H61 AromaticContact CE2-NE2 3.33Å; F49-H61 VanDerWaalsContact CE2-NE2 3.33Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.43Å; F49-H61 AromaticContact CZ-NE2 3.73Å
50	N	89.6	Confident	75.7	Confident	18 Å²	18	65.4 Å²	65.4	10%	0.096	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-64.4	-18.2	-176.7	-68.2	-55	0	0	0	113.8	M1 D47 S48 F52 F53 R64	M1-N50 HydrophobicContact CE-CB 3.65Å; M1-N50 HydrophobicContact CG-CB 4.44Å; M1-N50 HydrophobicContact SD-CB 3.21Å; M1-N50 WeakPolarHBondContact SD-CB 3.26Å; D47-N50 WeakPolarHBondContact CB-ND2 3.37Å; D47-N50 VanDerWaalsContact O-CB 3.25Å; D47-N50 WeakPolarHBondContact O-CB 3.39Å; D47-N50 PolarHBondContact O-N 3.11Å; D47-N50 PolarHBondContact O-ND2 3.47Å; S48-N50 PolarHBondContact O-N 3.47Å; N50-F52 PolarHBondContact O-N 3.27Å; N50-F53 CarbonylContact C-O 3.6Å; N50-F53 VanDerWaalsContact CA-O 3.26Å; N50-F53 WeakPolarHBondContact CA-O 3.18Å; N50-R64 PolarHBondContact O-NE 3.4Å; N50-R64 PolarHBondContact O-NH2 3.1Å
51	T	91.2	Very high	77.7	Confident	7 Å²	7	56 Å²	56	4%	0.043	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-53.2	-40	169.7	-63.8	0	0	0	0	111.5	R2 E3 C4 S48 F49 L242 R243	R2-T51 WeakPolarHBondContact O-CG2 3.44Å; E3-T51 WeakPolarHBondContact CA-O 3.49Å; C4-T51 PolarHBondContact N-O 3.26Å; S48-T51 WeakPolarHBondContact O-CB 3.23Å; S48-T51 PolarHBondContact O-N 2.9Å; S48-T51 PolarHBondContact O-OG1 3.23Å; F49-T51 PolarHBondContact O-N 2.98Å; F49-T51 VanDerWaalsContact O-N 3.08Å; T51-L242 HydrophobicContact CG2-CB 3.75Å; T51-L242 WeakPolarHBondContact CG2-O 3.48Å; T51-L242 PolarHBondContact OG1-O 3.49Å; T51-R243 HydrophobicContact CG2-CG 4.28Å
52	F	94.7	Very high	80.1	Confident	0 Å²	0	50 Å²	50	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-14.2	-175.7	-72.5	-78.9	0	0	0	114.4	C4 W21 Y24 F49 N50 P63 R64 L136 T239 L242 R243	C4-F52 HydrophobicContact CB-CD1 4.31Å; C4-F52 HydrophobicContact CB-CE1 3.7Å; C4-F52 HydrophobicContact CB-CZ 4.1Å; W21-F52 HydrophobicContact CH2-CB 3.89Å; W21-F52 HydrophobicContact CH2-CD1 4.28Å; W21-F52 WeakPolarHBondContact CH2-O 3.41Å; W21-F52 HydrophobicContact CZ3-CB 4.02Å; Y24-F52 HydrophobicContact CE2-CD1 4.48Å; F49-F52 PolarHBondContact O-N 2.69Å; N50-F52 PolarHBondContact O-N 3.27Å; F52-P63 CarbonylContact O-C 3.41Å; F52-R64 WeakPolarHBondContact O-CB 3.17Å; F52-R64 PolarHBondContact O-N 3.07Å; F52-L136 HydrophobicContact CE1-CD1 3.62Å; F52-L136 HydrophobicContact CZ-CD1 3.94Å; F52-T239 HydrophobicContact CE1-CG2 4.47Å; F52-T239 HydrophobicContact CE2-CG2 4.33Å; F52-T239 HydrophobicContact CZ-CG2 3.68Å; F52-L242 HydrophobicContact CE2-CB 4.47Å; F52-L242 HydrophobicContact CZ-CD1 4.38Å; F52-R243 HydrophobicContact CD2-CG 3.5Å; F52-R243 VanDerWaalsContact CD2-CG 3.5Å; F52-R243 VanDerWaalsContact CE2-CD 3.44Å; F52-R243 HydrophobicContact CE2-CG 3.48Å; F52-R243 VanDerWaalsContact CE2-CG 3.48Å
53	F	95.2	Very high	82.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.9	177.1	-64.1	-93.9	0	0	0	110.1	W21 I30 F49 N50 H61 V62 P63 R64 L86	W21-F53 HydrophobicContact CE3-CE1 4.08Å; W21-F53 HydrophobicContact CE3-CE2 4.38Å; W21-F53 AromaticContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CZ3-CD1 4.47Å; W21-F53 HydrophobicContact CZ3-CD2 4.45Å; W21-F53 AromaticContact CZ3-CE1 3.98Å; W21-F53 HydrophobicContact CZ3-CE1 3.98Å; W21-F53 AromaticContact CZ3-CE2 3.94Å; W21-F53 HydrophobicContact CZ3-CE2 3.94Å; W21-F53 AromaticContact CZ3-CZ 3.68Å; W21-F53 HydrophobicContact CZ3-CZ 3.68Å; I30-F53 HydrophobicContact CD1-CD1 3.98Å; I30-F53 HydrophobicContact CD1-CD2 3.89Å; I30-F53 HydrophobicContact CD1-CE1 3.92Å; I30-F53 HydrophobicContact CD1-CE2 3.84Å; I30-F53 HydrophobicContact CD1-CG 3.97Å; I30-F53 HydrophobicContact CD1-CZ 3.85Å; F49-F53 HydrophobicContact CB-CD2 4.16Å; F49-F53 WeakPolarHBondContact O-CB 3.33Å; F49-F53 WeakPolarHBondContact O-CD2 3.37Å; F49-F53 PolarHBondContact O-N 2.74Å; N50-F53 CarbonylContact C-O 3.6Å; N50-F53 VanDerWaalsContact CA-O 3.26Å; N50-F53 WeakPolarHBondContact CA-O 3.18Å; F53-H61 HydrophobicContact CB-CB 4.18Å; F53-H61 HydrophobicContact CD1-CB 4.07Å; F53-H61 HydrophobicContact CG-CB 4.37Å; F53-V62 CarbonylContact C-O 3.55Å; F53-V62 VanDerWaalsContact CA-O 3.31Å; F53-V62 WeakPolarHBondContact CA-O 3.43Å; F53-P63 HydrophobicContact CD1-CG 4.1Å; F53-P63 HydrophobicContact CE1-CG 3.78Å; F53-R64 PolarHBondContact O-NE 2.74Å; F53-R64 PolarHBondContact O-NH2 2.83Å; F53-L86 HydrophobicContact CE1-CD1 4.31Å
54	S	93.3	Very high	85	Confident	18 Å²	18	41 Å²	41	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.6	164	59.1	0	0	0	0	109.1	H61 V62	S54-H61 WeakPolarHBondContact O-CA 3.33Å; S54-V62 PolarHBondContact N-O 3.39Å; S54-V62 PolarHBondContact O-N 3.03Å; S54-V62 PolarHBondContact OG-O 3.47Å
55	E	90.7	Very high	87.6	Confident	114 Å²	114	37.4 Å²	37.4	53%	0.533	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.3	174.3	-166.4	-176.8	178	0	0	109.9	G59 K60	E55-G59 WeakPolarHBondContact OE1-CA 3.27Å; E55-K60 CarbonylContact C-O 3.29Å; E55-K60 WeakPolarHBondContact CA-O 3.24Å
56	T	89.5	Confident	89.8	Confident	50 Å²	50	33.9 Å²	33.9	31%	0.307	22%	0.216	S	C	.	.			trans	-81.4	162.7	173.1	73.6	0	0	0	0	110.9	S58 G59 K60 V62	T56-S58 PolarHBondContact O-N 3.49Å; T56-S58 PolarHBondContact OG1-N 2.84Å; T56-S58 PolarHBondContact OG1-OG 3.38Å; T56-G59 PolarHBondContact O-N 2.92Å; T56-K60 HydrophobicContact CG2-CB 4.44Å; T56-K60 PolarHBondContact N-O 3.34Å; T56-K60 WeakPolarHBondContact OG1-CB 3.49Å; T56-K60 PolarHBondContact OG1-N 3.04Å; T56-K60 PolarHBondContact OG1-O 2.91Å; T56-V62 HydrophobicContact CG2-CG2 3.78Å
57	G	85.8	Confident	91.4	Very high	98 Å²	98	30.4 Å²	30.4	100%	1.01	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-11	175.1	0	0	0	0	0	115.3
58	S	87.9	Confident	92.5	Very high	91 Å²	91	25.5 Å²	25.5	64%	0.636	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	8	172.3	69.2	0	0	0	0	113.9	T56 K60	T56-S58 PolarHBondContact O-N 3.49Å; T56-S58 PolarHBondContact OG1-N 2.84Å; T56-S58 PolarHBondContact OG1-OG 3.38Å; S58-K60 VanDerWaalsContact C-N 3.34Å
59	G	87.4	Confident	93.3	Very high	29 Å²	29	24.9 Å²	24.9	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	73.7	20.5	-177.2	0	0	0	0	0	114.6	E55 T56	E55-G59 WeakPolarHBondContact OE1-CA 3.27Å; T56-G59 PolarHBondContact O-N 2.92Å
60	K	92.6	Very high	93.9	Very high	52 Å²	52	24 Å²	24	23%	0.226	16%	0.162	C	C	.	.			trans	-92.7	133.7	177.1	-178.4	-174.8	173.2	-171.3	0	109.2	D33 E55 T56 S58 V62 Q85	D33-K60 WeakPolarHBondContact O-CE 3.49Å; E55-K60 CarbonylContact C-O 3.29Å; E55-K60 WeakPolarHBondContact CA-O 3.24Å; T56-K60 HydrophobicContact CG2-CB 4.44Å; T56-K60 PolarHBondContact N-O 3.34Å; T56-K60 WeakPolarHBondContact OG1-CB 3.49Å; T56-K60 PolarHBondContact OG1-N 3.04Å; T56-K60 PolarHBondContact OG1-O 2.91Å; S58-K60 VanDerWaalsContact C-N 3.34Å; K60-V62 HydrophobicContact CD-CG2 4.18Å; K60-V62 HydrophobicContact CG-CG2 4.2Å; K60-Q85 WeakPolarHBondContact CE-O 2.84Å; K60-Q85 PolarHBondContact NZ-O 3.29Å
61	H	94.2	Very high	94.1	Very high	4 Å²	4	26 Å²	26	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.7	176.1	-59.5	77.1	0	0	0	108.8	I30 G34 M36 F49 F53 S54	I30-H61 HydrophobicContact CD1-CB 3.98Å; I30-H61 HydrophobicContact CG2-CB 4.32Å; G34-H61 WeakPolarHBondContact CA-O 3.49Å; G34-H61 WeakPolarHBondContact O-CB 3.38Å; G34-H61 PolarHBondContact O-N 2.82Å; G34-H61 PolarHBondContact O-ND1 2.91Å; M36-H61 WeakPolarHBondContact CE-CE1 3.37Å; M36-H61 WeakPolarHBondContact CE-NE2 3.38Å; F49-H61 AromaticContact CD2-CD2 3.53Å; F49-H61 AromaticContact CD2-NE2 3.95Å; F49-H61 AromaticContact CE2-CD2 3.38Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.45Å; F49-H61 AromaticContact CE2-NE2 3.33Å; F49-H61 VanDerWaalsContact CE2-NE2 3.33Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.43Å; F49-H61 AromaticContact CZ-NE2 3.73Å; F53-H61 HydrophobicContact CB-CB 4.18Å; F53-H61 HydrophobicContact CD1-CB 4.07Å; F53-H61 HydrophobicContact CG-CB 4.37Å; S54-H61 WeakPolarHBondContact O-CA 3.33Å
62	V	96.3	Very high	94.3	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.048	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	-178.1	-179.6	0	0	0	0	108.6	F53 S54 T56 K60 H88	F53-V62 CarbonylContact C-O 3.55Å; F53-V62 VanDerWaalsContact CA-O 3.31Å; F53-V62 WeakPolarHBondContact CA-O 3.43Å; S54-V62 PolarHBondContact N-O 3.39Å; S54-V62 PolarHBondContact O-N 3.03Å; S54-V62 PolarHBondContact OG-O 3.47Å; T56-V62 HydrophobicContact CG2-CG2 3.78Å; K60-V62 HydrophobicContact CD-CG2 4.18Å; K60-V62 HydrophobicContact CG-CG2 4.2Å; V62-H88 HydrophobicContact CG1-CB 4.07Å
63	P	97.5	Very high	94.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	139.2	174.5	-33.1	40	0	0	0	113.5	W21 F52 F53 A65 L86 F87 Q91	W21-P63 HydrophobicContact CD2-CB 4.01Å; W21-P63 HydrophobicContact CD2-CG 4.16Å; W21-P63 HydrophobicContact CE3-CB 3.74Å; W21-P63 HydrophobicContact CE3-CG 3.75Å; W21-P63 HydrophobicContact CH2-CB 3.64Å; W21-P63 HydrophobicContact CH2-CG 4.5Å; W21-P63 HydrophobicContact CZ2-CB 3.9Å; W21-P63 HydrophobicContact CZ3-CB 3.54Å; W21-P63 HydrophobicContact CZ3-CG 3.93Å; F52-P63 CarbonylContact O-C 3.41Å; F53-P63 HydrophobicContact CD1-CG 4.1Å; F53-P63 HydrophobicContact CE1-CG 3.78Å; P63-A65 HydrophobicContact CB-CB 3.87Å; P63-A65 PolarHBondContact O-N 2.82Å; P63-L86 WeakPolarHBondContact CD-O 3.49Å; P63-L86 HydrophobicContact CG-CD1 4.25Å; P63-L86 HydrophobicContact CG-CD2 3.77Å; P63-L86 HydrophobicContact CG-CG 3.65Å; P63-F87 HydrophobicContact CB-CD1 3.92Å; P63-F87 HydrophobicContact CB-CE1 3.91Å; P63-F87 HydrophobicContact CG-CD1 3.72Å; P63-F87 HydrophobicContact CG-CE1 3.64Å; P63-Q91 PolarHBondContact O-OE1 2.78Å
64	R	97.3	Very high	94.4	Very high	10 Å²	10	32 Å²	32	4%	0.038	21%	0.209	C	C	.	.	S	Bend	trans	-80.3	63.4	164.2	-61.5	179.4	-168	-94.2	8.5	108.5	E3 C4 I5 S6 N50 F52 F53 Q128 C129	E3-R64 IonicContact OE1-CZ 3.87Å; E3-R64 IonicContact OE1-NH1 3.17Å; E3-R64 IonicContact OE1-NH2 2.78Å; E3-R64 PolarHBondContact OE1-NH2 2.69Å; C4-R64 WeakPolarHBondContact O-CB 3.42Å; I5-R64 WeakPolarHBondContact CA-O 3.22Å; S6-R64 PolarHBondContact N-O 2.91Å; N50-R64 PolarHBondContact O-NE 3.4Å; N50-R64 PolarHBondContact O-NH2 3.1Å; F52-R64 WeakPolarHBondContact O-CB 3.17Å; F52-R64 PolarHBondContact O-N 3.07Å; F53-R64 PolarHBondContact O-NE 2.74Å; F53-R64 PolarHBondContact O-NH2 2.83Å; R64-Q128 PolarHBondContact NH1-O 2.86Å; R64-Q128 VanDerWaalsContact NH1-O 3.13Å; R64-C129 PolarHBondContact NH1-SG 3.15Å; R64-C129 VanDerWaalsContact NH1-SG 3.44Å
65	A	98.1	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.3	-174.4	0	0	0	0	0	111.2	S6 W21 P63 F67 Q91	S6-A65 CarbonylContact O-C 3.49Å; S6-A65 WeakPolarHBondContact O-CA 3.37Å; W21-A65 HydrophobicContact CH2-CB 4.47Å; W21-A65 HydrophobicContact CZ2-CB 3.57Å; P63-A65 HydrophobicContact CB-CB 3.87Å; P63-A65 PolarHBondContact O-N 2.82Å; A65-F67 HydrophobicContact CB-CD2 4.31Å; A65-F67 HydrophobicContact CB-CE2 3.8Å; A65-Q91 VanDerWaalsContact O-CB 3.25Å; A65-Q91 WeakPolarHBondContact O-CB 3.39Å; A65-Q91 VanDerWaalsContact O-CG 3.26Å; A65-Q91 WeakPolarHBondContact O-CG 3.36Å; A65-Q91 PolarHBondContact O-OE1 3.48Å; A65-Q91 VanDerWaalsContact O-OE1 3.08Å
66	V	98.5	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.2	163.5	-174.9	0	0	0	0	107.3	S6 V7 H8 V68 I93 V118 I122 L125	S6-V66 PolarHBondContact O-N 3.07Å; V7-V66 CarbonylContact C-O 3.54Å; V7-V66 WeakPolarHBondContact CA-O 3.35Å; H8-V66 PolarHBondContact N-O 3.02Å; V66-V68 HydrophobicContact CG1-CG2 3.68Å; V66-I93 HydrophobicContact CG1-CD1 3.71Å; V66-I93 HydrophobicContact CG1-CG1 4.44Å; V66-V118 HydrophobicContact CG1-CG1 4.44Å; V66-I122 HydrophobicContact CG2-CG1 4Å; V66-L125 HydrophobicContact CG2-CD1 3.61Å
67	F	98.7	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.9	172.5	-68.8	-100.7	0	0	0	108.2	H8 V14 W21 A65 F87 Q91 L92 I93	H8-F67 HydrophobicContact CB-CD1 3.54Å; H8-F67 HydrophobicContact CB-CE1 3.82Å; H8-F67 HydrophobicContact CB-CG 4.11Å; H8-F67 AromaticContact CD2-CE1 3.76Å; H8-F67 AromaticContact CD2-CE2 3.91Å; H8-F67 AromaticContact CD2-CZ 3.66Å; H8-F67 AromaticContact CG-CD1 3.95Å; H8-F67 AromaticContact CG-CE1 3.72Å; H8-F67 CarbonylContact O-C 3.43Å; H8-F67 WeakPolarHBondContact O-CA 3.23Å; V14-F67 HydrophobicContact CB-CD1 4.17Å; V14-F67 HydrophobicContact CG1-CD1 3.84Å; V14-F67 HydrophobicContact CG1-CE1 4.38Å; V14-F67 HydrophobicContact CG2-CB 4.44Å; V14-F67 HydrophobicContact CG2-CD1 4.07Å; W21-F67 AromaticContact CD1-CZ 3.62Å; W21-F67 AromaticContact NE1-CZ 3.84Å; A65-F67 HydrophobicContact CB-CD2 4.31Å; A65-F67 HydrophobicContact CB-CE2 3.8Å; F67-F87 HydrophobicContact CD2-CD1 4.35Å; F67-F87 HydrophobicContact CD2-CE1 4.48Å; F67-F87 AromaticContact CE2-CD1 3.59Å; F67-F87 HydrophobicContact CE2-CD1 3.59Å; F67-F87 AromaticContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CG 4.3Å; F67-F87 AromaticContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CZ-CD1 4.36Å; F67-F87 AromaticContact CZ-CE1 3.72Å; F67-F87 HydrophobicContact CZ-CE1 3.72Å; F67-F87 AromaticContact CZ-CZ 3.82Å; F67-F87 HydrophobicContact CZ-CZ 3.82Å; F67-Q91 PolarHBondContact N-O 3.33Å; F67-L92 HydrophobicContact CB-CD2 3.79Å; F67-L92 HydrophobicContact CD2-CD2 3.61Å; F67-L92 HydrophobicContact CE2-CD2 4.44Å; F67-L92 HydrophobicContact CG-CD2 3.88Å; F67-I93 PolarHBondContact O-N 3.16Å
68	V	98.3	Very high	95.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128	-175.8	-168	0	0	0	0	109.6	H8 V9 G10 V66 I93 I114 V118 F149	H8-V68 PolarHBondContact O-N 2.72Å; V9-V68 WeakPolarHBondContact CA-O 3.33Å; G10-V68 PolarHBondContact N-O 2.86Å; V66-V68 HydrophobicContact CG1-CG2 3.68Å; V68-I93 WeakPolarHBondContact CA-O 3.41Å; V68-I93 HydrophobicContact CG2-CB 4.42Å; V68-I114 HydrophobicContact CG1-CD1 3.35Å; V68-V118 HydrophobicContact CB-CG2 4.46Å; V68-V118 HydrophobicContact CG1-CG2 3.81Å; V68-V118 HydrophobicContact CG2-CG1 3.9Å; V68-V118 HydrophobicContact CG2-CG2 3.74Å; V68-F149 HydrophobicContact CB-CE1 4.2Å; V68-F149 HydrophobicContact CG1-CD1 4.21Å; V68-F149 HydrophobicContact CG1-CE1 3.61Å; V68-F149 HydrophobicContact CG1-CZ 4.15Å
69	D	97.8	Very high	96.1	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.4	158.8	-153.8	-25.2	0	0	0	109.8	G10 Q11 E71 V74 V75 I93 T94 G95 T145	G10-D69 VanDerWaalsContact C-OD2 3.29Å; G10-D69 WeakPolarHBondContact CA-OD2 3.38Å; Q11-D69 PolarHBondContact N-OD2 2.71Å; D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.47Å; D69-V74 HydrophobicContact CB-CG1 3.95Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.44Å; D69-V75 HydrophobicContact CB-CG2 3.93Å; D69-I93 PolarHBondContact N-O 2.97Å; D69-T94 CarbonylContact O-C 3.5Å; D69-T94 VanDerWaalsContact O-CA 3.23Å; D69-T94 WeakPolarHBondContact O-CA 3.48Å; D69-G95 PolarHBondContact O-N 2.97Å; D69-T145 PolarHBondContact OD1-OG1 2.75Å
70	L	97	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-77.9	-17.6	179.2	-62.1	170.9	0	0	0	111.4	G95 K96 E97 A99 I110 I114 T145 F149	L70-G95 CarbonylContact O-C 3.4Å; L70-G95 WeakPolarHBondContact O-CA 3.42Å; L70-G95 PolarHBondContact O-N 2.68Å; L70-K96 PolarHBondContact O-N 3.42Å; L70-E97 CarbonylContact C-O 3.6Å; L70-E97 VanDerWaalsContact C-O 3.26Å; L70-E97 WeakPolarHBondContact CB-O 3.46Å; L70-E97 CarbonylContact O-C 3.56Å; L70-E97 PolarHBondContact O-N 3.47Å; L70-A99 HydrophobicContact CD1-CB 3.92Å; L70-I110 HydrophobicContact CB-CG2 4.27Å; L70-I110 HydrophobicContact CD1-CG2 4.45Å; L70-I110 HydrophobicContact CD2-CG2 4.05Å; L70-I110 HydrophobicContact CG-CG2 4.47Å; L70-I114 HydrophobicContact CD2-CD1 3.4Å; L70-I114 VanDerWaalsContact CD2-CD1 3.4Å; L70-I114 HydrophobicContact CD2-CG1 3.64Å; L70-I114 HydrophobicContact CD2-CG2 4.23Å; L70-T145 HydrophobicContact CB-CG2 4.49Å; L70-T145 HydrophobicContact CD1-CG2 4.03Å; L70-T145 HydrophobicContact CG-CG2 3.79Å; L70-F149 HydrophobicContact CD1-CB 4.32Å; L70-F149 HydrophobicContact CD2-CD2 4.45Å
71	E	94.7	Very high	96.7	Very high	59 Å²	59	28.9 Å²	28.9	28%	0.276	16%	0.159	S	C	.	.	S	Bend	trans	-118.7	160.3	169	65.7	150.4	145	0	0	111.8	D69 T73 D98	D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.47Å; E71-T73 WeakPolarHBondContact OE2-CB 3.2Å; E71-T73 PolarHBondContact OE2-OG1 3.01Å; E71-D98 HydrophobicContact CB-CB 3.88Å; E71-D98 HydrophobicContact CG-CB 4.05Å
72	P	95.3	Very high	96.7	Very high	47 Å²	47	34.2 Å²	34.2	31%	0.305	19%	0.192	S	C	.	.	S	Bend	trans	-79.9	-21	-170.7	29.9	-35.2	0	0	0	114.9	V74 V75 D76 T94	P72-V74 PolarHBondContact O-N 2.87Å; P72-V75 PolarHBondContact O-N 3.49Å; P72-D76 VanDerWaalsContact O-CB 3.31Å; P72-D76 WeakPolarHBondContact O-CB 3.37Å; P72-D76 PolarHBondContact O-N 3.32Å; P72-T94 HydrophobicContact CB-CG2 4.35Å
73	T	95.2	Very high	96.6	Very high	80 Å²	80	35 Å²	35	49%	0.491	20%	0.195	S	C	.	.	H	α-helix	trans	-50.4	-58.7	-161.9	-58	0	0	0	0	114.2	E71 D76 E77	E71-T73 WeakPolarHBondContact OE2-CB 3.2Å; E71-T73 PolarHBondContact OE2-OG1 3.01Å; T73-D76 PolarHBondContact O-N 2.92Å; T73-E77 PolarHBondContact O-N 3.33Å
74	V	95.8	Very high	96.5	Very high	7 Å²	7	42 Å²	42	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-73.8	-31.4	-174.4	72	0	0	0	0	113.1	Q11 V14 Q15 D69 P72 E77	Q11-V74 HydrophobicContact CG-CB 4.45Å; Q11-V74 HydrophobicContact CG-CG2 4.18Å; V14-V74 HydrophobicContact CB-CG1 3.91Å; V14-V74 HydrophobicContact CB-CG2 3.88Å; V14-V74 HydrophobicContact CG1-CB 4.35Å; V14-V74 HydrophobicContact CG1-CG1 4.01Å; V14-V74 HydrophobicContact CG1-CG2 3.7Å; V14-V74 HydrophobicContact CG2-CG1 3.97Å; Q15-V74 HydrophobicContact CG-CG2 3.65Å; D69-V74 HydrophobicContact CB-CG1 3.95Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.44Å; P72-V74 PolarHBondContact O-N 2.87Å; V74-E77 WeakPolarHBondContact O-CB 3.11Å; V74-E77 PolarHBondContact O-N 3.2Å
75	V	97.6	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-76.2	-31.5	178	179.1	0	0	0	0	110.2	V14 D69 P72 E77 V78 R79 L92 T94	V14-V75 HydrophobicContact CG1-CG2 4.46Å; V14-V75 HydrophobicContact CG2-CG2 4.04Å; D69-V75 HydrophobicContact CB-CG2 3.93Å; P72-V75 PolarHBondContact O-N 3.49Å; V75-E77 VanDerWaalsContact C-N 3.27Å; V75-E77 PolarHBondContact O-N 2.75Å; V75-V78 WeakPolarHBondContact O-CA 3.41Å; V75-V78 WeakPolarHBondContact O-CB 3.33Å; V75-V78 PolarHBondContact O-N 3.35Å; V75-R79 WeakPolarHBondContact O-CG 3.11Å; V75-R79 PolarHBondContact O-N 2.93Å; V75-L92 HydrophobicContact CG1-CB 3.76Å; V75-L92 HydrophobicContact CG1-CD2 4.45Å; V75-T94 HydrophobicContact CB-CG2 3.4Å; V75-T94 VanDerWaalsContact CB-CG2 3.4Å; V75-T94 HydrophobicContact CG1-CG2 3.64Å; V75-T94 HydrophobicContact CG2-CG2 3.77Å
76	D	96.9	Very high	96.3	Very high	63 Å²	63	46.7 Å²	46.7	34%	0.337	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-31.6	172.5	-81.9	-9.5	0	0	0	112.3	P72 T73 V78 R79 T80	P72-D76 VanDerWaalsContact O-CB 3.31Å; P72-D76 WeakPolarHBondContact O-CB 3.37Å; P72-D76 PolarHBondContact O-N 3.32Å; T73-D76 PolarHBondContact O-N 2.92Å; D76-V78 VanDerWaalsContact C-N 3.27Å; D76-V78 PolarHBondContact O-N 2.9Å; D76-R79 PolarHBondContact O-N 3.12Å; D76-R79 WeakPolarHBondContact OD1-CD 3.37Å; D76-R79 IonicContact OD1-CZ 2.84Å; D76-R79 IonicContact OD1-NE 2.66Å; D76-R79 IonicContact OD1-NH1 3.58Å; D76-R79 PolarHBondContact OD1-NH1 3.5Å; D76-T80 WeakPolarHBondContact O-CB 3.46Å; D76-T80 WeakPolarHBondContact O-CG2 3.34Å; D76-T80 PolarHBondContact O-N 3.03Å; D76-T80 PolarHBondContact O-OG1 2.87Å
77	E	96.7	Very high	96.2	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.481	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-38.5	169.8	-64.2	179.5	173.3	0	0	111.4	T73 V74 V75 G81	T73-E77 PolarHBondContact O-N 3.33Å; V74-E77 WeakPolarHBondContact O-CB 3.11Å; V74-E77 PolarHBondContact O-N 3.2Å; V75-E77 VanDerWaalsContact C-N 3.27Å; V75-E77 PolarHBondContact O-N 2.75Å; E77-G81 VanDerWaalsContact O-CA 3.32Å; E77-G81 WeakPolarHBondContact O-CA 3.47Å; E77-G81 PolarHBondContact O-N 2.79Å
78	V	96.7	Very high	96.1	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-42.2	174.1	-176.8	0	0	0	0	110.9	V14 V75 D76 T80 R84 F87 L92	V14-V78 HydrophobicContact CG1-CG2 3.79Å; V75-V78 WeakPolarHBondContact O-CA 3.41Å; V75-V78 WeakPolarHBondContact O-CB 3.33Å; V75-V78 PolarHBondContact O-N 3.35Å; D76-V78 VanDerWaalsContact C-N 3.27Å; D76-V78 PolarHBondContact O-N 2.9Å; V78-T80 PolarHBondContact O-N 3.43Å; V78-R84 WeakPolarHBondContact O-CA 3.38Å; V78-F87 HydrophobicContact CG1-CD2 3.53Å; V78-F87 HydrophobicContact CG1-CE2 3.62Å; V78-F87 HydrophobicContact CG1-CG 4.44Å; V78-L92 HydrophobicContact CG1-CD1 4.4Å; V78-L92 HydrophobicContact CG1-CD2 4.11Å
79	R	96.5	Very high	96	Very high	82 Å²	82	55.3 Å²	55.3	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-64.6	-25.6	178.3	-68	175.6	-176.1	145.9	-2.2	113.3	V75 D76 R84 L92 T94	V75-R79 WeakPolarHBondContact O-CG 3.11Å; V75-R79 PolarHBondContact O-N 2.93Å; D76-R79 PolarHBondContact O-N 3.12Å; D76-R79 WeakPolarHBondContact OD1-CD 3.37Å; D76-R79 IonicContact OD1-CZ 2.84Å; D76-R79 IonicContact OD1-NE 2.66Å; D76-R79 IonicContact OD1-NH1 3.58Å; D76-R79 PolarHBondContact OD1-NH1 3.5Å; R79-R84 WeakPolarHBondContact O-CB 3.45Å; R79-L92 HydrophobicContact CG-CB 4.45Å; R79-L92 HydrophobicContact CG-CD1 3.55Å; R79-L92 PolarHBondContact NH2-O 2.75Å; R79-T94 PolarHBondContact NH1-OG1 3.21Å; R79-T94 VanDerWaalsContact NH2-CG2 3.34Å; R79-T94 PolarHBondContact NH2-OG1 2.88Å
80	T	96.3	Very high	95.9	Very high	105 Å²	105	59.7 Å²	59.7	64%	0.644	31%	0.312	S	S	*	.	H	α-helix	trans	-108.7	-14.4	-177.3	58.5	0	0	0	0	113.6	D76 V78	D76-T80 WeakPolarHBondContact O-CB 3.46Å; D76-T80 WeakPolarHBondContact O-CG2 3.34Å; D76-T80 PolarHBondContact O-N 3.03Å; D76-T80 PolarHBondContact O-OG1 2.87Å; V78-T80 PolarHBondContact O-N 3.43Å
81	G	94.7	Very high	95.9	Very high	29 Å²	29	60.4 Å²	60.4	30%	0.299	32%	0.316	S	S	.	.	S	Bend	trans	-75.3	-176.3	-177.8	0	0	0	0	0	115.2	E77 Y83 R84	E77-G81 VanDerWaalsContact O-CA 3.32Å; E77-G81 WeakPolarHBondContact O-CA 3.47Å; E77-G81 PolarHBondContact O-N 2.79Å; G81-Y83 VanDerWaalsContact C-N 3.28Å; G81-Y83 PolarHBondContact O-N 2.85Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.43Å; G81-R84 VanDerWaalsContact O-CG 3.31Å; G81-R84 WeakPolarHBondContact O-CG 3.33Å; G81-R84 PolarHBondContact O-N 2.81Å; G81-R84 VanDerWaalsContact O-N 3.13Å
82	T	94.7	Very high	96.1	Very high	116 Å²	116	58 Å²	58	71%	0.712	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.3	-175.9	-51.9	0	0	0	0	112.8	A32	A32-T82 HydrophobicContact CB-CG2 4.23Å
83	Y	95.2	Very high	96.2	Very high	24 Å²	24	56.2 Å²	56.2	9%	0.094	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	16.6	-177.2	-64.4	-88	0	0	0	113.7	E22 C25 A32 G81 Q85 L86	E22-Y83 HydrophobicContact CB-CD2 4.48Å; E22-Y83 HydrophobicContact CB-CE2 3.68Å; E22-Y83 HydrophobicContact CG-CE2 3.97Å; E22-Y83 WeakPolarHBondContact CG-OH 3.47Å; E22-Y83 PolarHBondContact OE1-OH 3.49Å; C25-Y83 HydrophobicContact CB-CE1 4.03Å; A32-Y83 HydrophobicContact CB-CD1 3.62Å; A32-Y83 HydrophobicContact CB-CE1 3.72Å; A32-Y83 HydrophobicContact CB-CG 4.24Å; G81-Y83 VanDerWaalsContact C-N 3.28Å; G81-Y83 PolarHBondContact O-N 2.85Å; Y83-Q85 PolarHBondContact O-N 2.83Å; Y83-L86 HydrophobicContact CD1-CD2 3.96Å; Y83-L86 WeakPolarHBondContact O-CB 2.98Å; Y83-L86 PolarHBondContact O-N 3.32Å
84	R	94.6	Very high	96.3	Very high	147 Å²	147	54.4 Å²	54.4	56%	0.555	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.9	-178.9	65.2	-173.9	-177	176.7	-0.6	115	V78 R79 G81	V78-R84 WeakPolarHBondContact O-CA 3.38Å; R79-R84 WeakPolarHBondContact O-CB 3.45Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.43Å; G81-R84 VanDerWaalsContact O-CG 3.31Å; G81-R84 WeakPolarHBondContact O-CG 3.33Å; G81-R84 PolarHBondContact O-N 2.81Å; G81-R84 VanDerWaalsContact O-N 3.13Å
85	Q	95.3	Very high	96.2	Very high	109 Å²	109	54.6 Å²	54.6	51%	0.509	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.8	179.2	-72	-177	-9	0	0	112.5	D33 K60 Y83	D33-Q85 HydrophobicContact CB-CB 4.22Å; K60-Q85 WeakPolarHBondContact CE-O 2.84Å; K60-Q85 PolarHBondContact NZ-O 3.29Å; Y83-Q85 PolarHBondContact O-N 2.83Å
86	L	96.8	Very high	95.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-51	-179.2	-175.9	66	0	0	0	111.3	C25 I30 A32 F53 P63 Y83	C25-L86 VanDerWaalsContact SG-CD2 3.54Å; I30-L86 HydrophobicContact CG2-CD1 4.3Å; A32-L86 PolarHBondContact O-N 3.35Å; F53-L86 HydrophobicContact CE1-CD1 4.31Å; P63-L86 WeakPolarHBondContact CD-O 3.49Å; P63-L86 HydrophobicContact CG-CD1 4.25Å; P63-L86 HydrophobicContact CG-CD2 3.77Å; P63-L86 HydrophobicContact CG-CG 3.65Å; Y83-L86 HydrophobicContact CD1-CD2 3.96Å; Y83-L86 WeakPolarHBondContact O-CB 2.98Å; Y83-L86 PolarHBondContact O-N 3.32Å
87	F	96.6	Very high	95.5	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.018	33%	0.332	C	S	.	.	S	Bend	trans	-80.1	150	-171.9	-56.7	-75.1	0	0	0	112.7	W21 P63 F67 V78 L92	W21-F87 HydrophobicContact CB-CE1 4.21Å; W21-F87 HydrophobicContact CB-CZ 3.79Å; W21-F87 AromaticContact CD1-CE1 3.78Å; W21-F87 AromaticContact CD1-CZ 3.9Å; W21-F87 HydrophobicContact CD2-CE1 4.18Å; W21-F87 AromaticContact CG-CE1 3.79Å; W21-F87 HydrophobicContact CG-CE1 3.79Å; W21-F87 AromaticContact CG-CZ 3.83Å; W21-F87 HydrophobicContact CG-CZ 3.83Å; P63-F87 HydrophobicContact CB-CD1 3.92Å; P63-F87 HydrophobicContact CB-CE1 3.91Å; P63-F87 HydrophobicContact CG-CD1 3.72Å; P63-F87 HydrophobicContact CG-CE1 3.64Å; F67-F87 HydrophobicContact CD2-CD1 4.35Å; F67-F87 HydrophobicContact CD2-CE1 4.48Å; F67-F87 AromaticContact CE2-CD1 3.59Å; F67-F87 HydrophobicContact CE2-CD1 3.59Å; F67-F87 AromaticContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CE1 3.36Å; F67-F87 HydrophobicContact CE2-CG 4.3Å; F67-F87 AromaticContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CZ-CD1 4.36Å; F67-F87 AromaticContact CZ-CE1 3.72Å; F67-F87 HydrophobicContact CZ-CE1 3.72Å; F67-F87 AromaticContact CZ-CZ 3.82Å; F67-F87 HydrophobicContact CZ-CZ 3.82Å; V78-F87 HydrophobicContact CG1-CD2 3.53Å; V78-F87 HydrophobicContact CG1-CE2 3.62Å; V78-F87 HydrophobicContact CG1-CG 4.44Å; F87-L92 HydrophobicContact CB-CD1 4.26Å; F87-L92 HydrophobicContact CB-CD2 4.05Å; F87-L92 HydrophobicContact CB-CG 4.27Å; F87-L92 HydrophobicContact CG-CD2 4.34Å
88	H	95.6	Very high	95.2	Very high	76 Å²	76	64.6 Å²	64.6	35%	0.352	33%	0.329	S	S	.	.			trans	-72.6	128.9	170.9	-166.4	-84.1	0	0	0	109.4	V62 E90 Q91	V62-H88 HydrophobicContact CG1-CB 4.07Å; H88-E90 IonicContact CE1-OE2 2.68Å; H88-E90 PolarHBondContact CE1-OE2 2.9Å; H88-E90 WeakPolarHBondContact ND1-CB 3.31Å; H88-E90 PolarHBondContact ND1-N 2.78Å; H88-E90 PolarHBondContact O-N 2.96Å; H88-E90 VanDerWaalsContact O-N 3.13Å; H88-Q91 HydrophobicContact CB-CB 4.29Å; H88-Q91 VanDerWaalsContact CB-CD 3.44Å; H88-Q91 HydrophobicContact CB-CG 3.88Å; H88-Q91 WeakPolarHBondContact O-CB 3.34Å; H88-Q91 PolarHBondContact O-N 2.81Å
89	P	96.1	Very high	94.8	Very high	100 Å²	100	64.5 Å²	64.5	65%	0.649	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-55.7	-36.4	-176.9	-28.6	35.7	0	0	0	113.9	Q91 L92	P89-Q91 PolarHBondContact O-N 3.14Å; P89-L92 PolarHBondContact O-N 2.9Å
90	E	96.5	Very high	94.6	Very high	98 Å²	98	63.6 Å²	63.6	46%	0.458	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-73.5	-9.7	178.1	-55.7	-172.2	127	0	0	114.7	H88 R121	H88-E90 IonicContact CE1-OE2 2.68Å; H88-E90 PolarHBondContact CE1-OE2 2.9Å; H88-E90 WeakPolarHBondContact ND1-CB 3.31Å; H88-E90 PolarHBondContact ND1-N 2.78Å; H88-E90 PolarHBondContact O-N 2.96Å; H88-E90 VanDerWaalsContact O-N 3.13Å; E90-R121 VanDerWaalsContact CD-NH1 3.26Å; E90-R121 IonicContact OE1-CZ 3.61Å; E90-R121 IonicContact OE1-NH1 2.74Å; E90-R121 IonicContact OE1-NH2 3.71Å; E90-R121 PolarHBondContact OE1-NH2 3.37Å; E90-R121 IonicContact OE2-CZ 3.76Å; E90-R121 VanDerWaalsContact OE2-CZ 3.25Å; E90-R121 IonicContact OE2-NH1 2.73Å; E90-R121 PolarHBondContact OE2-NH1 2.85Å; E90-R121 IonicContact OE2-NH2 3.54Å; E90-R121 PolarHBondContact OE2-NH2 3.29Å
91	Q	97.2	Very high	94.4	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.065	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-89.5	-9	172	-70.3	165.4	1.3	0	0	112	P63 A65 F67 H88 P89 L125	P63-Q91 PolarHBondContact O-OE1 2.78Å; A65-Q91 VanDerWaalsContact O-CB 3.25Å; A65-Q91 WeakPolarHBondContact O-CB 3.39Å; A65-Q91 VanDerWaalsContact O-CG 3.26Å; A65-Q91 WeakPolarHBondContact O-CG 3.36Å; A65-Q91 PolarHBondContact O-OE1 3.48Å; A65-Q91 VanDerWaalsContact O-OE1 3.08Å; F67-Q91 PolarHBondContact N-O 3.33Å; H88-Q91 HydrophobicContact CB-CB 4.29Å; H88-Q91 VanDerWaalsContact CB-CD 3.44Å; H88-Q91 HydrophobicContact CB-CG 3.88Å; H88-Q91 WeakPolarHBondContact O-CB 3.34Å; H88-Q91 PolarHBondContact O-N 2.81Å; P89-Q91 PolarHBondContact O-N 3.14Å; Q91-L125 HydrophobicContact CG-CD1 4.47Å
92	L	98.1	Very high	94.5	Very high	10 Å²	10	61.3 Å²	61.3	5%	0.052	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	89	174.9	-56.5	-178.8	0	0	0	107.8	F67 V75 V78 R79 F87 P89	F67-L92 HydrophobicContact CB-CD2 3.79Å; F67-L92 HydrophobicContact CD2-CD2 3.61Å; F67-L92 HydrophobicContact CE2-CD2 4.44Å; F67-L92 HydrophobicContact CG-CD2 3.88Å; V75-L92 HydrophobicContact CG1-CB 3.76Å; V75-L92 HydrophobicContact CG1-CD2 4.45Å; V78-L92 HydrophobicContact CG1-CD1 4.4Å; V78-L92 HydrophobicContact CG1-CD2 4.11Å; R79-L92 HydrophobicContact CG-CB 4.45Å; R79-L92 HydrophobicContact CG-CD1 3.55Å; R79-L92 PolarHBondContact NH2-O 2.75Å; F87-L92 HydrophobicContact CB-CD1 4.26Å; F87-L92 HydrophobicContact CB-CD2 4.05Å; F87-L92 HydrophobicContact CB-CG 4.27Å; F87-L92 HydrophobicContact CG-CD2 4.34Å; P89-L92 PolarHBondContact O-N 2.9Å
93	I	98	Very high	94.7	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.046	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.2	-171.3	-56.6	169.8	0	0	0	109.2	V66 F67 V68 D69 L117 V118 R121	V66-I93 HydrophobicContact CG1-CD1 3.71Å; V66-I93 HydrophobicContact CG1-CG1 4.44Å; F67-I93 PolarHBondContact O-N 3.16Å; V68-I93 WeakPolarHBondContact CA-O 3.41Å; V68-I93 HydrophobicContact CG2-CB 4.42Å; D69-I93 PolarHBondContact N-O 2.97Å; I93-L117 HydrophobicContact CD1-CG 4.48Å; I93-L117 HydrophobicContact CG2-CD2 3.8Å; I93-L117 HydrophobicContact CG2-CG 4.32Å; I93-V118 HydrophobicContact CD1-CB 4.3Å; I93-V118 HydrophobicContact CD1-CG2 3.79Å; I93-V118 HydrophobicContact CG2-CG2 4.12Å; I93-R121 HydrophobicContact CD1-CB 4.14Å; I93-R121 HydrophobicContact CD1-CG 3.8Å
94	T	97.1	Very high	94.8	Very high	41 Å²	41	54.6 Å²	54.6	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.1	179	51.3	0	0	0	0	110.3	D69 P72 V75 R79	D69-T94 CarbonylContact O-C 3.5Å; D69-T94 VanDerWaalsContact O-CA 3.23Å; D69-T94 WeakPolarHBondContact O-CA 3.48Å; P72-T94 HydrophobicContact CB-CG2 4.35Å; V75-T94 HydrophobicContact CB-CG2 3.4Å; V75-T94 VanDerWaalsContact CB-CG2 3.4Å; V75-T94 HydrophobicContact CG1-CG2 3.64Å; V75-T94 HydrophobicContact CG2-CG2 3.77Å; R79-T94 PolarHBondContact NH1-OG1 3.21Å; R79-T94 VanDerWaalsContact NH2-CG2 3.34Å; R79-T94 PolarHBondContact NH2-OG1 2.88Å
95	G	93.5	Very high	94.9	Very high	11 Å²	11	49.6 Å²	49.6	11%	0.113	26%	0.258	C	S	.	.			trans	-74.8	-171.2	165.4	0	0	0	0	0	112.2	D69 L70	D69-G95 PolarHBondContact O-N 2.97Å; L70-G95 CarbonylContact O-C 3.4Å; L70-G95 WeakPolarHBondContact O-CA 3.42Å; L70-G95 PolarHBondContact O-N 2.68Å
96	K	90.5	Very high	95	Very high	202 Å²	202	44.4 Å²	44.4	88%	0.878	23%	0.234	S	C	*	.	S	Bend	trans	-110.4	-11.9	178.9	-63.5	179	-175.5	170.9	0	113.3	L70	L70-K96 PolarHBondContact O-N 3.42Å
97	E	89	Confident	95.1	Very high	99 Å²	99	44.8 Å²	44.8	46%	0.463	24%	0.235	S	C	.	.	S	Bend	trans	-137.6	131.4	-172	-67.9	-175.2	-135.8	0	0	108.9	L70 R105 I110	L70-E97 CarbonylContact C-O 3.6Å; L70-E97 VanDerWaalsContact C-O 3.26Å; L70-E97 WeakPolarHBondContact CB-O 3.46Å; L70-E97 CarbonylContact O-C 3.56Å; L70-E97 PolarHBondContact O-N 3.47Å; E97-R105 IonicContact OE2-CZ 3.03Å; E97-R105 IonicContact OE2-NH2 3.29Å; E97-R105 PolarHBondContact OE2-NH2 3Å; E97-I110 HydrophobicContact CB-CD1 4.36Å; E97-I110 HydrophobicContact CB-CG2 4.39Å
98	D	89.8	Confident	95.1	Very high	76 Å²	76	47 Å²	47	41%	0.406	24%	0.244	S	C	.	.			trans	-67.7	163.1	176.5	65.8	56.8	0	0	0	111.9	E71 A100 R105	E71-D98 HydrophobicContact CB-CB 3.88Å; E71-D98 HydrophobicContact CG-CB 4.05Å; D98-A100 VanDerWaalsContact C-N 3.26Å; D98-A100 VanDerWaalsContact OD1-CA 3.22Å; D98-A100 WeakPolarHBondContact OD1-CA 3Å; D98-A100 WeakPolarHBondContact OD1-CB 3.2Å; D98-A100 PolarHBondContact OD1-N 2.77Å; D98-R105 PolarHBondContact O-NE 3.13Å
99	A	89.5	Confident	95.1	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	24%	0.239	C	C	.	.			trans	-81.3	-1.2	171.7	0	0	0	0	0	113.3	L70 N101 N102	L70-A99 HydrophobicContact CD1-CB 3.92Å; A99-N101 PolarHBondContact O-N 3.07Å; A99-N101 VanDerWaalsContact O-N 3.1Å; A99-N102 WeakPolarHBondContact O-CB 3.47Å; A99-N102 PolarHBondContact O-N 3.13Å
100	A	90.8	Very high	95.1	Very high	63 Å²	63	41 Å²	41	52%	0.521	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	36.3	-176.8	0	0	0	0	0	114.5	D98 N102	D98-A100 VanDerWaalsContact C-N 3.26Å; D98-A100 VanDerWaalsContact OD1-CA 3.22Å; D98-A100 WeakPolarHBondContact OD1-CA 3Å; D98-A100 WeakPolarHBondContact OD1-CB 3.2Å; D98-A100 PolarHBondContact OD1-N 2.77Å; A100-N102 PolarHBondContact O-N 3.29Å
101	N	93.4	Very high	95.1	Very high	76 Å²	76	36.4 Å²	36.4	41%	0.406	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	22.2	-171.5	-63.3	-56.9	0	0	0	115.1	A99 A180 V182 N186	A99-N101 PolarHBondContact O-N 3.07Å; A99-N101 VanDerWaalsContact O-N 3.1Å; N101-A180 HydrophobicContact CB-CB 3.71Å; N101-V182 HydrophobicContact CB-CG2 4.41Å; N101-V182 WeakPolarHBondContact O-CG2 3.21Å; N101-N186 PolarHBondContact O-ND2 3.41Å
102	N	96.3	Very high	95.1	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.053	21%	0.206	C	C	.	.			trans	-106.6	116.8	-179.4	-175.8	-18.3	0	0	0	110.5	A99 A100 A104 R105 G106 W407 Y408	A99-N102 WeakPolarHBondContact O-CB 3.47Å; A99-N102 PolarHBondContact O-N 3.13Å; A100-N102 PolarHBondContact O-N 3.29Å; N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3.26Å; N102-A104 WeakPolarHBondContact OD1-CB 3.33Å; N102-A104 PolarHBondContact OD1-N 3.03Å; N102-R105 HydrophobicContact CB-CB 4.06Å; N102-R105 PolarHBondContact O-N 2.95Å; N102-G106 PolarHBondContact O-N 3.49Å; N102-W407 PolarHBondContact ND2-O 3.25Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.42Å
103	Y	98.1	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-51.5	-47.9	173.9	173.2	-86.6	0	0	0	112.2	R105 G106 H107 Y108 G148 S151 N186 L189 T190 T193 M413	Y103-R105 PolarHBondContact O-N 2.71Å; Y103-G106 CarbonylContact O-C 3.5Å; Y103-G106 WeakPolarHBondContact O-CA 3.34Å; Y103-G106 PolarHBondContact O-N 2.9Å; Y103-H107 HydrophobicContact CD1-CB 4.29Å; Y103-H107 HydrophobicContact CE1-CB 3.9Å; Y103-H107 AromaticContact CE1-ND1 3.96Å; Y103-H107 AromaticContact CZ-ND1 3.61Å; Y103-H107 WeakPolarHBondContact O-CB 3.49Å; Y103-H107 PolarHBondContact O-N 3.03Å; Y103-H107 PolarHBondContact OH-ND1 3.05Å; Y103-Y108 HydrophobicContact CE1-CE2 4.36Å; Y103-G148 VanDerWaalsContact CD2-N 3.33Å; Y103-G148 VanDerWaalsContact CE2-CA 3.5Å; Y103-G148 WeakPolarHBondContact O-CA 3.43Å; Y103-S151 WeakPolarHBondContact CE2-OG 3.41Å; Y103-S151 VanDerWaalsContact OH-CB 3.29Å; Y103-S151 WeakPolarHBondContact OH-CB 3.3Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.45Å; Y103-N186 PolarHBondContact N-OD1 3.38Å; Y103-L189 HydrophobicContact CD1-CB 3.88Å; Y103-L189 HydrophobicContact CD1-CD1 3.72Å; Y103-L189 HydrophobicContact CD1-CG 4.36Å; Y103-L189 HydrophobicContact CD2-CB 3.92Å; Y103-L189 HydrophobicContact CE1-CB 3.86Å; Y103-L189 HydrophobicContact CE1-CD1 4.32Å; Y103-L189 HydrophobicContact CE2-CB 3.9Å; Y103-L189 HydrophobicContact CG-CB 3.94Å; Y103-L189 HydrophobicContact CG-CD1 4Å; Y103-T190 WeakPolarHBondContact CD2-OG1 3.35Å; Y103-T190 WeakPolarHBondContact CE2-OG1 3.48Å; Y103-T193 WeakPolarHBondContact OH-CB 3.31Å; Y103-T193 PolarHBondContact OH-OG1 3.22Å; Y103-M413 HydrophobicContact CD1-SD 4.43Å
104	A	98	Very high	94.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-33.9	-174.3	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 3.26Å; N102-A104 WeakPolarHBondContact OD1-CB 3.33Å; N102-A104 PolarHBondContact OD1-N 3.03Å; A104-H107 PolarHBondContact O-N 2.67Å; A104-Y108 HydrophobicContact CB-CD2 3.97Å; A104-Y108 WeakPolarHBondContact O-CA 3.38Å; A104-Y108 VanDerWaalsContact O-CB 3.32Å; A104-Y108 WeakPolarHBondContact O-CB 3.24Å; A104-Y108 PolarHBondContact O-N 3.08Å; A104-Y408 HydrophobicContact CB-CD1 3.94Å; A104-Y408 HydrophobicContact CB-CG 4.25Å; A104-E411 HydrophobicContact CB-CB 3.84Å; A104-E411 HydrophobicContact CB-CG 4.46Å; A104-M413 HydrophobicContact CB-CB 3.93Å; A104-M413 HydrophobicContact CB-SD 4.03Å
105	R	97	Very high	94.9	Very high	42 Å²	42	45.6 Å²	45.6	16%	0.158	23%	0.228	C	C	.	.	I	π-helix	trans	-67.8	-39.4	174.2	-169.2	169.5	169.8	89.2	2.9	112.2	E97 D98 N102 Y103 H107 T109 I110 G111 E411	E97-R105 IonicContact OE2-CZ 3.03Å; E97-R105 IonicContact OE2-NH2 3.29Å; E97-R105 PolarHBondContact OE2-NH2 3Å; D98-R105 PolarHBondContact O-NE 3.13Å; N102-R105 HydrophobicContact CB-CB 4.06Å; N102-R105 PolarHBondContact O-N 2.95Å; Y103-R105 PolarHBondContact O-N 2.71Å; R105-H107 VanDerWaalsContact C-N 3.33Å; R105-T109 WeakPolarHBondContact CA-OG1 3.34Å; R105-T109 PolarHBondContact O-OG1 2.96Å; R105-I110 HydrophobicContact CG-CB 4.38Å; R105-I110 HydrophobicContact CG-CG1 3.61Å; R105-I110 PolarHBondContact O-N 3.01Å; R105-G111 PolarHBondContact O-N 3.38Å; R105-E411 HydrophobicContact CB-CG 4.04Å; R105-E411 IonicContact NH1-OE1 2.74Å; R105-E411 PolarHBondContact NH1-OE1 2.82Å
106	G	97.2	Very high	95.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	I	π-helix	trans	-68.3	-28.1	173.4	0	0	0	0	0	114	N102 Y103 G111 G148 F149	N102-G106 PolarHBondContact O-N 3.49Å; Y103-G106 CarbonylContact O-C 3.5Å; Y103-G106 WeakPolarHBondContact O-CA 3.34Å; Y103-G106 PolarHBondContact O-N 2.9Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.47Å; G106-G148 CarbonylContact O-C 2.95Å; G106-F149 WeakPolarHBondContact O-CA 3.4Å; G106-F149 WeakPolarHBondContact O-CB 3.33Å; G106-F149 PolarHBondContact O-N 3.36Å
107	H	98.3	Very high	95.4	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.037	23%	0.23	C	C	.	.	I	π-helix	trans	-99.6	-49.4	-175.2	-168.5	117	0	0	0	113	Y103 A104 R105 K112 E155	Y103-H107 HydrophobicContact CD1-CB 4.29Å; Y103-H107 HydrophobicContact CE1-CB 3.9Å; Y103-H107 AromaticContact CE1-ND1 3.96Å; Y103-H107 AromaticContact CZ-ND1 3.61Å; Y103-H107 WeakPolarHBondContact O-CB 3.49Å; Y103-H107 PolarHBondContact O-N 3.03Å; Y103-H107 PolarHBondContact OH-ND1 3.05Å; A104-H107 PolarHBondContact O-N 2.67Å; R105-H107 VanDerWaalsContact C-N 3.33Å; H107-K112 WeakPolarHBondContact O-CG 3.43Å; H107-E155 IonicContact CE1-OE1 3.36Å; H107-E155 PolarHBondContact CE1-OE1 3.07Å; H107-E155 VanDerWaalsContact CE1-OE1 3.23Å; H107-E155 IonicContact NE2-OE1 2.91Å
108	Y	97.5	Very high	95.9	Very high	49 Å²	49	40 Å²	40	19%	0.192	21%	0.208	C	C	.	.	I	π-helix	trans	-95.9	-25.3	-167.2	-66.7	-73.7	0	0	0	114.6	Y103 A104 K112 E411 M413 E417	Y103-Y108 HydrophobicContact CE1-CE2 4.36Å; A104-Y108 HydrophobicContact CB-CD2 3.97Å; A104-Y108 WeakPolarHBondContact O-CA 3.38Å; A104-Y108 VanDerWaalsContact O-CB 3.32Å; A104-Y108 WeakPolarHBondContact O-CB 3.24Å; A104-Y108 PolarHBondContact O-N 3.08Å; Y108-K112 WeakPolarHBondContact O-CD 3.46Å; Y108-K112 WeakPolarHBondContact O-CE 3.29Å; Y108-K112 PolarHBondContact O-NZ 3.05Å; Y108-E411 WeakPolarHBondContact CB-O 3.1Å; Y108-M413 HydrophobicContact CD2-CB 3.8Å; Y108-M413 HydrophobicContact CD2-CG 4.19Å; Y108-M413 HydrophobicContact CE2-CB 3.68Å; Y108-M413 HydrophobicContact CE2-CG 3.54Å; Y108-M413 HydrophobicContact CE2-SD 4.17Å; Y108-E417 PolarHBondContact OH-OE1 3.38Å; Y108-E417 PolarHBondContact OH-OE2 3.26Å
109	T	96.2	Very high	96.3	Very high	40 Å²	40	36.7 Å²	36.7	25%	0.245	19%	0.19	C	C	.	.	I	π-helix	trans	-121.3	-93.1	-173.7	59.3	0	0	0	0	112.4	R105 G111 K112 E113 E411	R105-T109 WeakPolarHBondContact CA-OG1 3.34Å; R105-T109 PolarHBondContact O-OG1 2.96Å; T109-G111 VanDerWaalsContact C-N 3.25Å; T109-G111 PolarHBondContact O-N 2.69Å; T109-K112 WeakPolarHBondContact O-CB 3.48Å; T109-K112 PolarHBondContact O-N 3.37Å; T109-E113 PolarHBondContact O-N 3.01Å; T109-E411 WeakPolarHBondContact CB-OE2 3.31Å; T109-E411 HydrophobicContact CG2-CB 4.12Å; T109-E411 WeakPolarHBondContact CG2-O 3.46Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.35Å; T109-E411 PolarHBondContact OG1-OE2 3.16Å
110	I	95.8	Very high	96.7	Very high	12 Å²	12	39 Å²	39	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-37.1	-170.8	-51	-58.1	0	0	0	111.3	L70 E97 R105 K112 E113	L70-I110 HydrophobicContact CB-CG2 4.27Å; L70-I110 HydrophobicContact CD1-CG2 4.45Å; L70-I110 HydrophobicContact CD2-CG2 4.05Å; L70-I110 HydrophobicContact CG-CG2 4.47Å; E97-I110 HydrophobicContact CB-CD1 4.36Å; E97-I110 HydrophobicContact CB-CG2 4.39Å; R105-I110 HydrophobicContact CG-CB 4.38Å; R105-I110 HydrophobicContact CG-CG1 3.61Å; R105-I110 PolarHBondContact O-N 3.01Å; I110-K112 VanDerWaalsContact C-N 3.33Å; I110-K112 PolarHBondContact O-N 3.34Å; I110-E113 WeakPolarHBondContact O-CB 3.28Å; I110-E113 PolarHBondContact O-N 3.21Å
111	G	96.4	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-36.4	175.2	0	0	0	0	0	114.4	R105 G106 T109 E113 I114 V115 F149	R105-G111 PolarHBondContact O-N 3.38Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.47Å; T109-G111 VanDerWaalsContact C-N 3.25Å; T109-G111 PolarHBondContact O-N 2.69Å; G111-E113 PolarHBondContact O-N 3.31Å; G111-I114 PolarHBondContact O-N 3.36Å; G111-I114 VanDerWaalsContact O-N 3.16Å; G111-V115 WeakPolarHBondContact O-CB 3.38Å; G111-V115 PolarHBondContact O-N 3.5Å; G111-F149 WeakPolarHBondContact O-CE2 3.38Å
112	K	96	Very high	97.2	Very high	99 Å²	99	34.1 Å²	34.1	43%	0.43	16%	0.164	S	C	.	.	H	α-helix	trans	-65.3	-27.5	176.9	-68	-167.8	-178.9	154.7	0	112.4	H107 Y108 T109 I110 I114 L152	H107-K112 WeakPolarHBondContact O-CG 3.43Å; Y108-K112 WeakPolarHBondContact O-CD 3.46Å; Y108-K112 WeakPolarHBondContact O-CE 3.29Å; Y108-K112 PolarHBondContact O-NZ 3.05Å; T109-K112 WeakPolarHBondContact O-CB 3.48Å; T109-K112 PolarHBondContact O-N 3.37Å; I110-K112 VanDerWaalsContact C-N 3.33Å; I110-K112 PolarHBondContact O-N 3.34Å; K112-I114 VanDerWaalsContact C-N 3.27Å; K112-I114 PolarHBondContact O-N 2.88Å; K112-L152 HydrophobicContact CG-CD2 3.95Å
113	E	95.4	Very high	97.3	Very high	148 Å²	148	38 Å²	38	69%	0.692	18%	0.178	S	C	*	.	H	α-helix	trans	-69.4	-26.9	177.2	-57.5	-171.9	173.6	0	0	112.6	T109 I110 G111	T109-E113 PolarHBondContact O-N 3.01Å; I110-E113 WeakPolarHBondContact O-CB 3.28Å; I110-E113 PolarHBondContact O-N 3.21Å; G111-E113 PolarHBondContact O-N 3.31Å
114	I	96.2	Very high	97.3	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.082	20%	0.196	C	C	.	.	H	α-helix	trans	-108.7	-18.4	-174.6	82.8	154.1	0	0	0	113.9	V68 L70 G111 K112 D116 L117 V118 F149	V68-I114 HydrophobicContact CG1-CD1 3.35Å; L70-I114 HydrophobicContact CD2-CD1 3.4Å; L70-I114 VanDerWaalsContact CD2-CD1 3.4Å; L70-I114 HydrophobicContact CD2-CG1 3.64Å; L70-I114 HydrophobicContact CD2-CG2 4.23Å; G111-I114 PolarHBondContact O-N 3.36Å; G111-I114 VanDerWaalsContact O-N 3.16Å; K112-I114 VanDerWaalsContact C-N 3.27Å; K112-I114 PolarHBondContact O-N 2.88Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.24Å; I114-L117 WeakPolarHBondContact O-CB 3.31Å; I114-L117 PolarHBondContact O-N 3.03Å; I114-L117 VanDerWaalsContact O-N 3.07Å; I114-V118 HydrophobicContact CD1-CG2 4.18Å; I114-V118 HydrophobicContact CG1-CG2 4.47Å; I114-V118 PolarHBondContact O-N 3.21Å; I114-V118 VanDerWaalsContact O-N 3.09Å; I114-F149 HydrophobicContact CD1-CD2 4.45Å; I114-F149 HydrophobicContact CD1-CE1 4.31Å; I114-F149 HydrophobicContact CD1-CE2 3.94Å; I114-F149 HydrophobicContact CD1-CZ 3.88Å; I114-F149 HydrophobicContact CG1-CD2 4.14Å; I114-F149 HydrophobicContact CG1-CE2 3.49Å; I114-F149 VanDerWaalsContact CG1-CE2 3.49Å; I114-F149 HydrophobicContact CG1-CZ 3.83Å
115	V	97.7	Very high	97.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-41.5	-171.2	69.2	0	0	0	0	112.5	G111 L117 V118 L119 F149 L152 L153 R156	G111-V115 WeakPolarHBondContact O-CB 3.38Å; G111-V115 PolarHBondContact O-N 3.5Å; V115-L117 VanDerWaalsContact C-N 3.31Å; V115-L117 PolarHBondContact O-N 3.34Å; V115-V118 PolarHBondContact O-N 3.44Å; V115-V118 VanDerWaalsContact O-N 3.16Å; V115-L119 HydrophobicContact CG2-CD1 4.05Å; V115-L119 HydrophobicContact CG2-CG 4.34Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.4Å; V115-F149 HydrophobicContact CB-CE2 3.89Å; V115-F149 HydrophobicContact CB-CZ 4.48Å; V115-F149 HydrophobicContact CG2-CE2 4.23Å; V115-L152 HydrophobicContact CB-CD2 3.91Å; V115-L152 HydrophobicContact CB-CG 4.48Å; V115-L152 HydrophobicContact CG1-CD2 4.12Å; V115-L152 HydrophobicContact CG2-CD2 4.12Å; V115-L152 HydrophobicContact CG2-CG 4.15Å; V115-L153 HydrophobicContact CG2-CD1 4.43Å; V115-R156 HydrophobicContact CG2-CG 4.16Å
116	D	97.7	Very high	97.2	Very high	112 Å²	112	40.9 Å²	40.9	60%	0.599	19%	0.194	S	C	*	.	H	α-helix	trans	-65.3	-35.4	-179.9	-71	-24.1	0	0	0	112.1	I114 D120	I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.24Å; D116-D120 WeakPolarHBondContact O-CB 3.43Å; D116-D120 PolarHBondContact O-N 2.99Å
117	L	97.5	Very high	97.2	Very high	84 Å²	84	46.9 Å²	46.9	44%	0.44	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-43.3	174.2	174.4	63.2	0	0	0	110.7	I93 I114 V115 D120 R121	I93-L117 HydrophobicContact CD1-CG 4.48Å; I93-L117 HydrophobicContact CG2-CD2 3.8Å; I93-L117 HydrophobicContact CG2-CG 4.32Å; I114-L117 WeakPolarHBondContact O-CB 3.31Å; I114-L117 PolarHBondContact O-N 3.03Å; I114-L117 VanDerWaalsContact O-N 3.07Å; V115-L117 VanDerWaalsContact C-N 3.31Å; V115-L117 PolarHBondContact O-N 3.34Å; L117-D120 PolarHBondContact O-N 3.22Å; L117-R121 WeakPolarHBondContact O-CG 3.37Å; L117-R121 PolarHBondContact O-N 2.9Å; L117-R121 VanDerWaalsContact O-N 3.16Å
118	V	98.4	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-46	177.7	175.8	0	0	0	0	110.6	V66 V68 I93 I114 V115 D120 R121 I122 F149 L153	V66-V118 HydrophobicContact CG1-CG1 4.44Å; V68-V118 HydrophobicContact CB-CG2 4.46Å; V68-V118 HydrophobicContact CG1-CG2 3.81Å; V68-V118 HydrophobicContact CG2-CG1 3.9Å; V68-V118 HydrophobicContact CG2-CG2 3.74Å; I93-V118 HydrophobicContact CD1-CB 4.3Å; I93-V118 HydrophobicContact CD1-CG2 3.79Å; I93-V118 HydrophobicContact CG2-CG2 4.12Å; I114-V118 HydrophobicContact CD1-CG2 4.18Å; I114-V118 HydrophobicContact CG1-CG2 4.47Å; I114-V118 PolarHBondContact O-N 3.21Å; I114-V118 VanDerWaalsContact O-N 3.09Å; V115-V118 PolarHBondContact O-N 3.44Å; V115-V118 VanDerWaalsContact O-N 3.16Å; V118-D120 PolarHBondContact O-N 3.3Å; V118-R121 PolarHBondContact O-N 2.94Å; V118-R121 VanDerWaalsContact O-N 3.17Å; V118-I122 HydrophobicContact CG1-CD1 3.88Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.39Å; V118-I122 PolarHBondContact O-N 2.81Å; V118-F149 HydrophobicContact CB-CZ 4.17Å; V118-F149 HydrophobicContact CG1-CZ 4.38Å; V118-F149 HydrophobicContact CG2-CE1 4.3Å; V118-F149 HydrophobicContact CG2-CZ 3.77Å; V118-L153 HydrophobicContact CG1-CD1 4.05Å; V118-L153 HydrophobicContact CG1-CD2 4.16Å
119	L	98.2	Very high	96.9	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-41.1	176.7	-70.9	168.9	0	0	0	112.4	V115 R121 I122 R123 L153 R156 L157	V115-L119 HydrophobicContact CG2-CD1 4.05Å; V115-L119 HydrophobicContact CG2-CG 4.34Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.4Å; L119-R121 VanDerWaalsContact C-N 3.3Å; L119-R121 PolarHBondContact O-N 3.45Å; L119-I122 PolarHBondContact O-N 3.38Å; L119-R123 VanDerWaalsContact O-CB 3.32Å; L119-R123 WeakPolarHBondContact O-CB 3.49Å; L119-R123 PolarHBondContact O-N 2.61Å; L119-L153 HydrophobicContact CD2-CD1 3.87Å; L119-L153 HydrophobicContact CG-CD1 4.28Å; L119-R156 HydrophobicContact CD1-CB 3.67Å; L119-R156 HydrophobicContact CD1-CG 4Å; L119-R156 HydrophobicContact CD2-CB 3.91Å; L119-R156 HydrophobicContact CG-CB 4.35Å; L119-L157 HydrophobicContact CD2-CD2 4.14Å
120	D	98.1	Very high	96.7	Very high	50 Å²	50	53.9 Å²	53.9	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-59.4	-40.6	174.2	176.4	70.5	0	0	0	112	D116 L117 V118 R123 K124	D116-D120 WeakPolarHBondContact O-CB 3.43Å; D116-D120 PolarHBondContact O-N 2.99Å; L117-D120 PolarHBondContact O-N 3.22Å; V118-D120 PolarHBondContact O-N 3.3Å; D120-R123 PolarHBondContact O-N 3.03Å; D120-K124 WeakPolarHBondContact O-CG 3.26Å; D120-K124 PolarHBondContact O-N 3.4Å; D120-K124 IonicContact OD1-NZ 3.2Å; D120-K124 VanDerWaalsContact OD2-CE 3.29Å; D120-K124 WeakPolarHBondContact OD2-CE 3.34Å; D120-K124 IonicContact OD2-NZ 3.77Å; D120-K124 PolarHBondContact OD2-NZ 3.05Å
121	R	97.8	Very high	96.5	Very high	37 Å²	37	54.7 Å²	54.7	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-41.1	176.6	-63	-51.3	178.4	-179.8	1.6	112.7	E90 I93 L117 V118 L119 R123 K124 L125	E90-R121 VanDerWaalsContact CD-NH1 3.26Å; E90-R121 IonicContact OE1-CZ 3.61Å; E90-R121 IonicContact OE1-NH1 2.74Å; E90-R121 IonicContact OE1-NH2 3.71Å; E90-R121 PolarHBondContact OE1-NH2 3.37Å; E90-R121 IonicContact OE2-CZ 3.76Å; E90-R121 VanDerWaalsContact OE2-CZ 3.25Å; E90-R121 IonicContact OE2-NH1 2.73Å; E90-R121 PolarHBondContact OE2-NH1 2.85Å; E90-R121 IonicContact OE2-NH2 3.54Å; E90-R121 PolarHBondContact OE2-NH2 3.29Å; I93-R121 HydrophobicContact CD1-CB 4.14Å; I93-R121 HydrophobicContact CD1-CG 3.8Å; L117-R121 WeakPolarHBondContact O-CG 3.37Å; L117-R121 PolarHBondContact O-N 2.9Å; L117-R121 VanDerWaalsContact O-N 3.16Å; V118-R121 PolarHBondContact O-N 2.94Å; V118-R121 VanDerWaalsContact O-N 3.17Å; L119-R121 VanDerWaalsContact C-N 3.3Å; L119-R121 PolarHBondContact O-N 3.45Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 3.37Å; R121-K124 VanDerWaalsContact NH1-NZ 3.12Å; R121-K124 PolarHBondContact O-N 3.35Å; R121-L125 PolarHBondContact O-N 3.14Å; R121-L125 VanDerWaalsContact O-N 3.1Å
122	I	98.4	Very high	96.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-42.5	174	-69.8	173.4	0	0	0	110.3	V7 V66 V118 L119 K124 L125 A126 F135 L153 L157 Y161	V7-I122 HydrophobicContact CG2-CD1 3.98Å; V7-I122 HydrophobicContact CG2-CG1 4.49Å; V66-I122 HydrophobicContact CG2-CG1 4Å; V118-I122 HydrophobicContact CG1-CD1 3.88Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.39Å; V118-I122 PolarHBondContact O-N 2.81Å; L119-I122 PolarHBondContact O-N 3.38Å; I122-K124 PolarHBondContact O-N 3.26Å; I122-L125 WeakPolarHBondContact O-CB 3.37Å; I122-L125 PolarHBondContact O-N 3.31Å; I122-A126 WeakPolarHBondContact O-CB 3.26Å; I122-A126 PolarHBondContact O-N 3.08Å; I122-F135 HydrophobicContact CG2-CD1 4.43Å; I122-F135 HydrophobicContact CG2-CE1 3.52Å; I122-F135 HydrophobicContact CG2-CZ 4.11Å; I122-L153 HydrophobicContact CD1-CD1 4.19Å; I122-L153 HydrophobicContact CD1-CD2 4.46Å; I122-L157 HydrophobicContact CD1-CD2 4.09Å; I122-L157 HydrophobicContact CG2-CD2 4.09Å; I122-Y161 HydrophobicContact CG2-CE2 4.23Å
123	R	97.9	Very high	96.2	Very high	91 Å²	91	52.8 Å²	52.8	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-47.4	177.3	-170.3	179.7	-58.8	125.1	2.5	112.3	L119 D120 R121 L125 A126 D127 E160 Y161	L119-R123 VanDerWaalsContact O-CB 3.32Å; L119-R123 WeakPolarHBondContact O-CB 3.49Å; L119-R123 PolarHBondContact O-N 2.61Å; D120-R123 PolarHBondContact O-N 3.03Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 3.37Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 3.19Å; R123-A126 WeakPolarHBondContact O-CB 3.1Å; R123-A126 PolarHBondContact O-N 3.38Å; R123-A126 VanDerWaalsContact O-N 3.1Å; R123-D127 VanDerWaalsContact O-CG 3.27Å; R123-D127 PolarHBondContact O-N 3.01Å; R123-E160 IonicContact CZ-OE2 3.46Å; R123-E160 IonicContact NE-OE2 3.23Å; R123-E160 PolarHBondContact NE-OE2 3.38Å; R123-E160 VanDerWaalsContact NH2-CD 3.25Å; R123-E160 IonicContact NH2-OE1 3.9Å; R123-E160 PolarHBondContact NH2-OE1 2.83Å; R123-E160 IonicContact NH2-OE2 3.68Å; R123-E160 PolarHBondContact NH2-OE2 2.84Å; R123-Y161 WeakPolarHBondContact CA-OH 3.46Å
124	K	97.6	Very high	96.2	Very high	88 Å²	88	45.8 Å²	45.8	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-59.3	-39.3	175.8	-72.7	169.6	179.2	161.1	0	112.6	D120 R121 I122 Q128	D120-K124 WeakPolarHBondContact O-CG 3.26Å; D120-K124 PolarHBondContact O-N 3.4Å; D120-K124 IonicContact OD1-NZ 3.2Å; D120-K124 VanDerWaalsContact OD2-CE 3.29Å; D120-K124 WeakPolarHBondContact OD2-CE 3.34Å; D120-K124 IonicContact OD2-NZ 3.77Å; D120-K124 PolarHBondContact OD2-NZ 3.05Å; R121-K124 VanDerWaalsContact NH1-NZ 3.12Å; R121-K124 PolarHBondContact O-N 3.35Å; I122-K124 PolarHBondContact O-N 3.26Å; K124-Q128 VanDerWaalsContact O-CG 3.25Å; K124-Q128 WeakPolarHBondContact O-CG 3.37Å; K124-Q128 PolarHBondContact O-N 2.84Å
125	L	97.3	Very high	96.2	Very high	4 Å²	4	45 Å²	45	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-40.2	174.5	-78.7	175.6	0	0	0	112.2	I5 V66 Q91 R121 I122 R123 Q128 C129	I5-L125 HydrophobicContact CD1-CB 3.7Å; I5-L125 HydrophobicContact CG1-CB 4.17Å; I5-L125 HydrophobicContact CG2-CD1 4.13Å; V66-L125 HydrophobicContact CG2-CD1 3.61Å; Q91-L125 HydrophobicContact CG-CD1 4.47Å; R121-L125 PolarHBondContact O-N 3.14Å; R121-L125 VanDerWaalsContact O-N 3.1Å; I122-L125 WeakPolarHBondContact O-CB 3.37Å; I122-L125 PolarHBondContact O-N 3.31Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 3.19Å; L125-Q128 WeakPolarHBondContact O-CB 3.26Å; L125-Q128 PolarHBondContact O-N 3.22Å; L125-C129 PolarHBondContact O-N 3.45Å; L125-C129 PolarHBondContact O-SG 3.17Å
126	A	96.7	Very high	96.2	Very high	12 Å²	12	44.9 Å²	44.9	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-41.3	178.1	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 3.26Å; I122-A126 PolarHBondContact O-N 3.08Å; R123-A126 WeakPolarHBondContact O-CB 3.1Å; R123-A126 PolarHBondContact O-N 3.38Å; R123-A126 VanDerWaalsContact O-N 3.1Å; A126-Q128 PolarHBondContact O-N 2.91Å; A126-C129 VanDerWaalsContact O-CB 3.3Å; A126-C129 WeakPolarHBondContact O-CB 3.45Å; A126-C129 PolarHBondContact O-N 2.85Å; A126-L132 HydrophobicContact CB-CD2 3.89Å; A126-Y161 HydrophobicContact CB-CE1 3.97Å
127	D	96.1	Very high	96.3	Very high	125 Å²	125	39.6 Å²	39.6	67%	0.668	21%	0.206	S	C	*	.	H	α-helix	trans	-65.1	-27	176.3	-68.1	-20.5	0	0	0	112.3	R123 C129	R123-D127 VanDerWaalsContact O-CG 3.27Å; R123-D127 PolarHBondContact O-N 3.01Å; D127-C129 VanDerWaalsContact C-N 3.27Å
128	Q	94.2	Very high	96.3	Very high	115 Å²	115	35.7 Å²	35.7	54%	0.537	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.4	172.9	-70.7	172.7	-1.5	0	0	113.4	R64 K124 L125 A126	R64-Q128 PolarHBondContact NH1-O 2.86Å; R64-Q128 VanDerWaalsContact NH1-O 3.13Å; K124-Q128 VanDerWaalsContact O-CG 3.25Å; K124-Q128 WeakPolarHBondContact O-CG 3.37Å; K124-Q128 PolarHBondContact O-N 2.84Å; L125-Q128 WeakPolarHBondContact O-CB 3.26Å; L125-Q128 PolarHBondContact O-N 3.22Å; A126-Q128 PolarHBondContact O-N 2.91Å
129	C	94.7	Very high	96.3	Very high	18 Å²	18	35.7 Å²	35.7	12%	0.122	19%	0.185	C	C	.	.			trans	-91.4	134.1	175.2	-62.5	0	0	0	0	110.3	E3 R64 L125 A126 D127 G131 L132	E3-C129 HydrophobicContact CB-CB 4Å; E3-C129 WeakPolarHBondContact OE1-CA 3.47Å; R64-C129 PolarHBondContact NH1-SG 3.15Å; R64-C129 VanDerWaalsContact NH1-SG 3.44Å; L125-C129 PolarHBondContact O-N 3.45Å; L125-C129 PolarHBondContact O-SG 3.17Å; A126-C129 VanDerWaalsContact O-CB 3.3Å; A126-C129 WeakPolarHBondContact O-CB 3.45Å; A126-C129 PolarHBondContact O-N 2.85Å; D127-C129 VanDerWaalsContact C-N 3.27Å; C129-G131 VanDerWaalsContact C-N 3.3Å; C129-L132 HydrophobicContact CB-CB 4.03Å
130	T	92.4	Very high	96.3	Very high	112 Å²	112	36.1 Å²	36.1	69%	0.687	19%	0.189	S	C	*	.	S	Bend	trans	-72.2	-27.4	169.9	66.5	0	0	0	0	112.6	M1 E3	M1-T130 WeakPolarHBondContact CB-OG1 3.34Å; E3-T130 VanDerWaalsContact CD-N 3.33Å; E3-T130 PolarHBondContact OE1-N 3.36Å; E3-T130 WeakPolarHBondContact OE2-CA 3.01Å; E3-T130 PolarHBondContact OE2-N 3.33Å; E3-T130 PolarHBondContact OE2-OG1 3.04Å
131	G	91.2	Very high	96.2	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	18%	0.176	S	C	.	.	S	Bend	trans	-162.7	79.1	-179.2	0	0	0	0	0	111.1	E3 C129 Q133	E3-G131 PolarHBondContact N-O 2.8Å; E3-G131 PolarHBondContact OE2-N 2.85Å; C129-G131 VanDerWaalsContact C-N 3.3Å; G131-Q133 PolarHBondContact O-N 3.42Å
132	L	94.4	Very high	95.9	Very high	13 Å²	13	32 Å²	32	7%	0.068	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	121.1	174	179.7	65.2	0	0	0	110.2	E3 I5 A126 C129 G134 F135 Y161 K164	E3-L132 CarbonylContact O-C 3.53Å; E3-L132 WeakPolarHBondContact O-CA 3.33Å; I5-L132 HydrophobicContact CB-CD1 4.44Å; I5-L132 HydrophobicContact CD1-CD1 3.77Å; I5-L132 HydrophobicContact CD1-CD2 4.23Å; I5-L132 HydrophobicContact CG1-CD1 3.81Å; A126-L132 HydrophobicContact CB-CD2 3.89Å; C129-L132 HydrophobicContact CB-CB 4.03Å; L132-G134 WeakPolarHBondContact CD1-O 3.41Å; L132-F135 HydrophobicContact CD2-CE1 4.27Å; L132-F135 HydrophobicContact CD2-CE2 4.42Å; L132-F135 HydrophobicContact CD2-CZ 3.83Å; L132-Y161 HydrophobicContact CD2-CD1 4.35Å; L132-Y161 HydrophobicContact CD2-CE1 4.38Å; L132-K164 HydrophobicContact CD2-CG 4.47Å; L132-K164 WeakPolarHBondContact O-CD 3.25Å; L132-K164 VanDerWaalsContact O-CE 3.32Å; L132-K164 WeakPolarHBondContact O-CE 3.39Å; L132-K164 PolarHBondContact O-NZ 2.83Å
133	Q	92.6	Very high	95.7	Very high	47 Å²	47	32.7 Å²	32.7	22%	0.22	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-43.9	173.6	-64.8	-156.7	-33.6	0	0	111.8	R2 E3 G131 S165 L252	R2-Q133 HydrophobicContact CB-CG 4.12Å; E3-Q133 PolarHBondContact O-N 2.92Å; G131-Q133 PolarHBondContact O-N 3.42Å; Q133-S165 PolarHBondContact O-N 3.44Å; Q133-L252 HydrophobicContact CB-CD1 3.97Å
134	G	95	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	-171.4	-171.7	0	0	0	0	0	114.5	I5 L132 S165	I5-G134 PolarHBondContact N-O 3.12Å; I5-G134 VanDerWaalsContact N-O 3.13Å; L132-G134 WeakPolarHBondContact CD1-O 3.41Å; G134-S165 CarbonylContact C-O 3.57Å; G134-S165 WeakPolarHBondContact CA-O 3.17Å
135	F	97.4	Very high	95.5	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.3	-179.5	-55.9	-80.8	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 4.14Å; I5-F135 HydrophobicContact CD1-CE1 4.02Å; I5-F135 HydrophobicContact CG2-CD1 4.21Å; I5-F135 HydrophobicContact CG2-CE1 4.45Å; I5-F135 CarbonylContact O-C 3.53Å; I5-F135 VanDerWaalsContact O-CA 3.27Å; I5-F135 WeakPolarHBondContact O-CA 3.37Å; V7-F135 HydrophobicContact CG2-CD1 4.48Å; I122-F135 HydrophobicContact CG2-CD1 4.43Å; I122-F135 HydrophobicContact CG2-CE1 3.52Å; I122-F135 HydrophobicContact CG2-CZ 4.11Å; L132-F135 HydrophobicContact CD2-CE1 4.27Å; L132-F135 HydrophobicContact CD2-CE2 4.42Å; L132-F135 HydrophobicContact CD2-CZ 3.83Å; F135-I137 HydrophobicContact CB-CD1 4.08Å; F135-I137 HydrophobicContact CB-CG1 4.25Å; F135-L157 HydrophobicContact CE1-CD2 4.27Å; F135-L157 HydrophobicContact CE2-CD2 4.33Å; F135-L157 HydrophobicContact CG-CD1 4.43Å; F135-L157 HydrophobicContact CZ-CD2 4.08Å; F135-Y161 HydrophobicContact CE2-CD1 4.39Å; F135-Y161 AromaticContact CE2-CD2 3.98Å; F135-Y161 HydrophobicContact CE2-CD2 3.98Å; F135-Y161 AromaticContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CZ-CD1 4.09Å; F135-Y161 AromaticContact CZ-CD2 3.65Å; F135-Y161 HydrophobicContact CZ-CD2 3.65Å; F135-Y161 HydrophobicContact CZ-CE1 4.43Å; F135-Y161 HydrophobicContact CZ-CE2 4.04Å; F135-Y161 AromaticContact CZ-CG 3.69Å; F135-Y161 HydrophobicContact CZ-CG 3.69Å; F135-K164 HydrophobicContact CD2-CB 4.41Å; F135-K164 HydrophobicContact CE2-CB 4.02Å; F135-S165 PolarHBondContact N-O 3.16Å; F135-K166 HydrophobicContact CB-CG 4.4Å; F135-K166 HydrophobicContact CD2-CG 4.06Å; F135-L167 PolarHBondContact O-N 3.33Å
136	L	97.5	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.8	167.7	-55.2	-172.6	0	0	0	107.6	I5 S6 V7 F52 F138 L167 F169 T239 L252	I5-L136 PolarHBondContact O-N 3.25Å; S6-L136 CarbonylContact C-O 3.52Å; S6-L136 VanDerWaalsContact CA-O 3.29Å; S6-L136 WeakPolarHBondContact CA-O 3.26Å; V7-L136 PolarHBondContact N-O 3.22Å; F52-L136 HydrophobicContact CE1-CD1 3.62Å; F52-L136 HydrophobicContact CZ-CD1 3.94Å; L136-F138 HydrophobicContact CB-CE2 3.68Å; L136-F138 HydrophobicContact CB-CZ 4.34Å; L136-F138 WeakPolarHBondContact O-CD2 3.48Å; L136-L167 CarbonylContact C-O 3.58Å; L136-L167 WeakPolarHBondContact CA-O 3.29Å; L136-L167 HydrophobicContact CD2-CB 4.06Å; L136-L167 HydrophobicContact CD2-CD1 4.25Å; L136-L167 HydrophobicContact CD2-CG 4.36Å; L136-F169 HydrophobicContact CB-CD2 4.42Å; L136-F169 HydrophobicContact CB-CE2 4.03Å; L136-F169 HydrophobicContact CD1-CE2 4.21Å; L136-F169 HydrophobicContact CD2-CE2 4.13Å; L136-F169 HydrophobicContact CG-CE2 4.34Å; L136-T239 HydrophobicContact CD1-CG2 3.69Å; L136-L252 HydrophobicContact CD2-CD2 4.07Å
137	I	98.5	Very high	95.5	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.2	-172.5	-63.3	131.1	0	0	0	109.1	V7 F135 T150 M154 K166 L167 E168 F169	V7-I137 HydrophobicContact CB-CG1 4.49Å; V7-I137 CarbonylContact O-C 3.43Å; V7-I137 WeakPolarHBondContact O-CA 3.24Å; F135-I137 HydrophobicContact CB-CD1 4.08Å; F135-I137 HydrophobicContact CB-CG1 4.25Å; I137-T150 HydrophobicContact CG2-CG2 3.75Å; I137-M154 HydrophobicContact CD1-CE 4.06Å; I137-M154 HydrophobicContact CD1-SD 3.29Å; I137-M154 WeakPolarHBondContact CD1-SD 3.5Å; I137-M154 HydrophobicContact CG1-SD 4.26Å; I137-K166 HydrophobicContact CD1-CB 3.9Å; I137-K166 HydrophobicContact CD1-CG 4.11Å; I137-L167 PolarHBondContact N-O 2.69Å; I137-E168 HydrophobicContact CB-CG 4.24Å; I137-E168 HydrophobicContact CD1-CG 4.45Å; I137-E168 CarbonylContact O-C 3.06Å; I137-E168 VanDerWaalsContact O-CA 3.29Å; I137-E168 WeakPolarHBondContact O-CA 3.31Å; I137-F169 PolarHBondContact O-N 3.4Å
138	F	98.7	Very high	95.6	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.5	-178	-64	-102.9	0	0	0	108.5	V7 H8 V9 G13 M16 L136 F169 V235	V7-F138 PolarHBondContact O-N 2.83Å; H8-F138 AromaticContact CE1-CD2 3.17Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.48Å; H8-F138 AromaticContact CE1-CE2 3.44Å; H8-F138 VanDerWaalsContact CE1-CE2 3.44Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.46Å; H8-F138 AromaticContact CE1-CG 3.55Å; H8-F138 WeakPolarHBondContact ND1-CB 3.16Å; H8-F138 AromaticContact ND1-CD2 3.34Å; H8-F138 VanDerWaalsContact ND1-CD2 3.34Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.45Å; H8-F138 AromaticContact ND1-CG 3.36Å; H8-F138 WeakPolarHBondContact ND1-CG 3.36Å; V9-F138 PolarHBondContact N-O 2.79Å; G13-F138 VanDerWaalsContact CA-O 3.25Å; G13-F138 WeakPolarHBondContact CA-O 3.48Å; M16-F138 HydrophobicContact CB-CD1 4.33Å; M16-F138 HydrophobicContact CE-CB 4.17Å; L136-F138 HydrophobicContact CB-CE2 3.68Å; L136-F138 HydrophobicContact CB-CZ 4.34Å; L136-F138 WeakPolarHBondContact O-CD2 3.48Å; F138-F169 WeakPolarHBondContact CA-O 3.29Å; F138-F169 HydrophobicContact CD1-CB 3.55Å; F138-F169 HydrophobicContact CD1-CD2 4.07Å; F138-F169 AromaticContact CD1-CG 3.99Å; F138-F169 HydrophobicContact CD1-CG 3.99Å; F138-F169 HydrophobicContact CD2-CD2 4.38Å; F138-F169 HydrophobicContact CE1-CB 3.74Å; F138-F169 HydrophobicContact CE1-CD1 4.38Å; F138-F169 AromaticContact CE1-CD2 3.58Å; F138-F169 HydrophobicContact CE1-CD2 3.58Å; F138-F169 HydrophobicContact CE1-CE2 4.25Å; F138-F169 AromaticContact CE1-CG 3.64Å; F138-F169 HydrophobicContact CE1-CG 3.64Å; F138-F169 AromaticContact CE2-CD2 3.93Å; F138-F169 HydrophobicContact CE2-CD2 3.93Å; F138-F169 HydrophobicContact CE2-CE2 4.36Å; F138-F169 HydrophobicContact CG-CB 4.16Å; F138-F169 HydrophobicContact CG-CD2 4.45Å; F138-F169 HydrophobicContact CZ-CB 4.49Å; F138-F169 AromaticContact CZ-CD2 3.49Å; F138-F169 HydrophobicContact CZ-CD2 3.49Å; F138-F169 VanDerWaalsContact CZ-CD2 3.49Å; F138-F169 AromaticContact CZ-CE2 3.83Å; F138-F169 HydrophobicContact CZ-CE2 3.83Å; F138-F169 HydrophobicContact CZ-CG 4.06Å; F138-V235 HydrophobicContact CE1-CB 4.48Å; F138-V235 HydrophobicContact CE1-CG1 3.85Å; F138-V235 HydrophobicContact CE1-CG2 3.76Å; F138-V235 HydrophobicContact CZ-CG1 3.74Å; F138-V235 HydrophobicContact CZ-CG2 4.45Å
139	H	98.3	Very high	95.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-175.5	-174.7	76.5	125.7	0	0	0	112.2	V9 M16 F141 G146 T150 E168 F169 S170 V171	V9-H139 HydrophobicContact CB-CB 4.37Å; M16-H139 WeakPolarHBondContact CE-O 3.41Å; H139-F141 AromaticContact CE1-CD2 3.87Å; H139-F141 AromaticContact CE1-CE2 3.62Å; H139-F141 AromaticContact NE2-CE2 3.67Å; H139-G146 WeakPolarHBondContact CB-O 3.39Å; H139-G146 PolarHBondContact ND1-O 2.93Å; H139-T150 HydrophobicContact CB-CG2 4.23Å; H139-E168 IonicContact CD2-OE2 2.86Å; H139-E168 IonicContact CE1-OE2 2.8Å; H139-E168 PolarHBondContact CE1-OE2 2.89Å; H139-E168 IonicContact NE2-OE2 3.49Å; H139-E168 PolarHBondContact NE2-OE2 3.43Å; H139-E168 VanDerWaalsContact NE2-OE2 3.13Å; H139-F169 PolarHBondContact N-O 3.29Å; H139-S170 PolarHBondContact CD2-OG 2.84Å; H139-S170 VanDerWaalsContact CD2-OG 3.24Å; H139-S170 WeakPolarHBondContact NE2-CB 3.46Å; H139-S170 PolarHBondContact NE2-OG 2.91Å; H139-S170 WeakPolarHBondContact O-CA 3.26Å; H139-V171 PolarHBondContact O-N 3.1Å; H139-V171 VanDerWaalsContact O-N 3.07Å
140	S	96.9	Very high	96	Very high	15 Å²	15	12 Å²	12	11%	0.105	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.2	170.8	175.4	0	0	0	0	109.9	G142 G146 S147 V171	S140-G142 PolarHBondContact O-N 2.72Å; S140-G142 PolarHBondContact OG-N 2.86Å; S140-G146 CarbonylContact O-C 3.57Å; S140-S147 PolarHBondContact O-N 3.04Å; S140-V171 WeakPolarHBondContact CA-O 3.47Å; S140-V171 PolarHBondContact OG-O 2.97Å
141	F	95.9	Very high	96.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-66.4	-26.1	176.4	-81.9	-110.3	0	0	0	112.1	H139 S147 V171 Y172 N186 S187 T190 T191 M203 F267	H139-F141 AromaticContact CE1-CD2 3.87Å; H139-F141 AromaticContact CE1-CE2 3.62Å; H139-F141 AromaticContact NE2-CE2 3.67Å; F141-S147 WeakPolarHBondContact O-CB 3.25Å; F141-V171 PolarHBondContact N-O 3.16Å; F141-V171 VanDerWaalsContact N-O 3.13Å; F141-Y172 HydrophobicContact CB-CD2 4.22Å; F141-Y172 HydrophobicContact CD1-CD2 4.05Å; F141-Y172 AromaticContact CD1-CE2 3.82Å; F141-Y172 HydrophobicContact CD1-CE2 3.82Å; F141-Y172 HydrophobicContact CD2-CD2 4.02Å; F141-Y172 HydrophobicContact CE1-CD2 4.45Å; F141-Y172 HydrophobicContact CE1-CE2 4.16Å; F141-Y172 HydrophobicContact CE2-CD2 4.44Å; F141-Y172 AromaticContact CG-CD2 3.82Å; F141-Y172 HydrophobicContact CG-CD2 3.82Å; F141-Y172 HydrophobicContact CG-CE2 4.06Å; F141-N186 CarbonylContact O-C 3.59Å; F141-N186 VanDerWaalsContact O-C 3.29Å; F141-N186 WeakPolarHBondContact O-CB 3.42Å; F141-S187 WeakPolarHBondContact O-CA 3.43Å; F141-S187 PolarHBondContact O-N 2.86Å; F141-S187 PolarHBondContact O-OG 3.3Å; F141-T190 HydrophobicContact CD1-CG2 4.02Å; F141-T190 HydrophobicContact CE1-CG2 4.11Å; F141-T190 HydrophobicContact CG-CG2 4.41Å; F141-T191 VanDerWaalsContact CE1-OG1 3.31Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.46Å; F141-M203 HydrophobicContact CE2-CE 3.92Å; F141-M203 HydrophobicContact CE2-SD 4.29Å; F141-M203 HydrophobicContact CZ-CE 4.37Å; F141-F267 HydrophobicContact CZ-CE1 4.24Å
142	G	93.2	Very high	96.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-87.8	-21.5	-173.4	0	0	0	0	0	116.2	S140 N186	S140-G142 PolarHBondContact O-N 2.72Å; S140-G142 PolarHBondContact OG-N 2.86Å; G142-N186 PolarHBondContact O-ND2 3.29Å
143	G	92.8	Very high	96.8	Very high	14 Å²	14	4.9 Å²	4.9	14%	0.144	3%	0.031	C	C	.	.	S	Bend	trans	-94.9	144.9	-171.2	0	0	0	0	0	113.2	T145 G146 S147	G143-T145 PolarHBondContact O-N 2.83Å; G143-G146 PolarHBondContact O-N 2.62Å; G143-S147 WeakPolarHBondContact O-CB 3.42Å; G143-S147 PolarHBondContact O-N 3Å; G143-S147 PolarHBondContact O-OG 2.92Å
144	G	94.9	Very high	97.1	Very high	3 Å²	3	2.7 Å²	2.7	3%	0.031	2%	0.021	C	C	.	.	H	α-helix	trans	-56.1	-50.7	-175.6	0	0	0	0	0	114.3	S147 G148	G144-S147 PolarHBondContact O-OG 2.87Å; G144-G148 PolarHBondContact O-N 2.89Å
145	T	97.4	Very high	97.2	Very high	12 Å²	12	5.5 Å²	5.5	7%	0.074	3%	0.034	C	C	.	.	I	π-helix	trans	-68.1	-49.8	174.3	-49.5	0	0	0	0	111.7	V9 D69 L70 G143 S147 F149 T150	V9-T145 HydrophobicContact CG1-CG2 3.95Å; D69-T145 PolarHBondContact OD1-OG1 2.75Å; L70-T145 HydrophobicContact CB-CG2 4.49Å; L70-T145 HydrophobicContact CD1-CG2 4.03Å; L70-T145 HydrophobicContact CG-CG2 3.79Å; G143-T145 PolarHBondContact O-N 2.83Å; T145-S147 PolarHBondContact O-N 3.33Å; T145-S147 VanDerWaalsContact O-N 3.16Å; T145-F149 HydrophobicContact CG2-CB 4.09Å; T145-F149 HydrophobicContact CG2-CD1 4.5Å; T145-F149 VanDerWaalsContact O-CB 3.28Å; T145-F149 WeakPolarHBondContact O-CB 3.28Å; T145-F149 PolarHBondContact O-N 2.94Å; T145-F149 VanDerWaalsContact O-N 3.13Å; T145-T150 PolarHBondContact O-N 3.47Å
146	G	96.9	Very high	97.2	Very high	4 Å²	4	10.7 Å²	10.7	4%	0.041	5%	0.053	C	C	.	.	I	π-helix	trans	-62.8	-23.8	-176.3	0	0	0	0	0	114.2	H139 S140 G143 T150	H139-G146 WeakPolarHBondContact CB-O 3.39Å; H139-G146 PolarHBondContact ND1-O 2.93Å; S140-G146 CarbonylContact O-C 3.57Å; G143-G146 PolarHBondContact O-N 2.62Å; G146-T150 WeakPolarHBondContact O-CB 3.33Å; G146-T150 PolarHBondContact O-OG1 3.41Å
147	S	97.5	Very high	97.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-98.6	-66.5	-176.9	71.9	0	0	0	0	109.6	S140 F141 G143 G144 T145 S151 T190	S140-S147 PolarHBondContact O-N 3.04Å; F141-S147 WeakPolarHBondContact O-CB 3.25Å; G143-S147 WeakPolarHBondContact O-CB 3.42Å; G143-S147 PolarHBondContact O-N 3Å; G143-S147 PolarHBondContact O-OG 2.92Å; G144-S147 PolarHBondContact O-OG 2.87Å; T145-S147 PolarHBondContact O-N 3.33Å; T145-S147 VanDerWaalsContact O-N 3.16Å; S147-S151 WeakPolarHBondContact O-CB 3.15Å; S147-S151 PolarHBondContact O-N 3.12Å; S147-S151 PolarHBondContact O-OG 3.14Å; S147-T190 WeakPolarHBondContact CA-OG1 3.43Å; S147-T190 WeakPolarHBondContact CB-OG1 3.5Å; S147-T190 PolarHBondContact O-OG1 3.33Å
148	G	97.8	Very high	97.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-66.3	-51.6	-175.9	0	0	0	0	0	114.5	Y103 G106 G144 S151 L152	Y103-G148 VanDerWaalsContact CD2-N 3.33Å; Y103-G148 VanDerWaalsContact CE2-CA 3.5Å; Y103-G148 WeakPolarHBondContact O-CA 3.43Å; G106-G148 CarbonylContact O-C 2.95Å; G144-G148 PolarHBondContact O-N 2.89Å; G148-S151 PolarHBondContact O-N 2.99Å; G148-L152 PolarHBondContact O-N 3.5Å; G148-L152 VanDerWaalsContact O-N 3.11Å
149	F	98.4	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-69.3	-36.7	-178.9	178.8	-102.3	0	0	0	111.7	V9 V68 L70 G106 G111 I114 V115 V118 T145 S151 L152 L153	V9-F149 HydrophobicContact CG1-CD1 3.65Å; V9-F149 HydrophobicContact CG1-CE1 4.41Å; V68-F149 HydrophobicContact CB-CE1 4.2Å; V68-F149 HydrophobicContact CG1-CD1 4.21Å; V68-F149 HydrophobicContact CG1-CE1 3.61Å; V68-F149 HydrophobicContact CG1-CZ 4.15Å; L70-F149 HydrophobicContact CD1-CB 4.32Å; L70-F149 HydrophobicContact CD2-CD2 4.45Å; G106-F149 WeakPolarHBondContact O-CA 3.4Å; G106-F149 WeakPolarHBondContact O-CB 3.33Å; G106-F149 PolarHBondContact O-N 3.36Å; G111-F149 WeakPolarHBondContact O-CE2 3.38Å; I114-F149 HydrophobicContact CD1-CD2 4.45Å; I114-F149 HydrophobicContact CD1-CE1 4.31Å; I114-F149 HydrophobicContact CD1-CE2 3.94Å; I114-F149 HydrophobicContact CD1-CZ 3.88Å; I114-F149 HydrophobicContact CG1-CD2 4.14Å; I114-F149 HydrophobicContact CG1-CE2 3.49Å; I114-F149 VanDerWaalsContact CG1-CE2 3.49Å; I114-F149 HydrophobicContact CG1-CZ 3.83Å; V115-F149 HydrophobicContact CB-CE2 3.89Å; V115-F149 HydrophobicContact CB-CZ 4.48Å; V115-F149 HydrophobicContact CG2-CE2 4.23Å; V118-F149 HydrophobicContact CB-CZ 4.17Å; V118-F149 HydrophobicContact CG1-CZ 4.38Å; V118-F149 HydrophobicContact CG2-CE1 4.3Å; V118-F149 HydrophobicContact CG2-CZ 3.77Å; T145-F149 HydrophobicContact CG2-CB 4.09Å; T145-F149 HydrophobicContact CG2-CD1 4.5Å; T145-F149 VanDerWaalsContact O-CB 3.28Å; T145-F149 WeakPolarHBondContact O-CB 3.28Å; T145-F149 PolarHBondContact O-N 2.94Å; T145-F149 VanDerWaalsContact O-N 3.13Å; F149-S151 VanDerWaalsContact C-N 3.33Å; F149-S151 PolarHBondContact O-N 2.86Å; F149-L152 HydrophobicContact CD2-CD2 4.45Å; F149-L152 PolarHBondContact O-N 3.37Å; F149-L153 HydrophobicContact CE1-CB 4.47Å; F149-L153 HydrophobicContact CE1-CD2 4.23Å; F149-L153 VanDerWaalsContact O-CB 3.31Å; F149-L153 WeakPolarHBondContact O-CB 3.26Å; F149-L153 PolarHBondContact O-N 3Å
150	T	98.5	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.9	-43.4	173.4	-55.5	0	0	0	0	111.4	V9 I137 H139 T145 G146 L153 M154	V9-T150 VanDerWaalsContact CG1-OG1 3.27Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.2Å; I137-T150 HydrophobicContact CG2-CG2 3.75Å; H139-T150 HydrophobicContact CB-CG2 4.23Å; T145-T150 PolarHBondContact O-N 3.47Å; G146-T150 WeakPolarHBondContact O-CB 3.33Å; G146-T150 PolarHBondContact O-OG1 3.41Å; T150-L153 PolarHBondContact O-N 3.23Å; T150-M154 HydrophobicContact CG2-CG 4.08Å; T150-M154 WeakPolarHBondContact O-CB 3.37Å; T150-M154 WeakPolarHBondContact O-CG 3.47Å; T150-M154 PolarHBondContact O-N 3.3Å
151	S	98.2	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-49	178.5	-59.8	0	0	0	0	111.6	Y103 S147 G148 F149 L153 M154 E155	Y103-S151 WeakPolarHBondContact CE2-OG 3.41Å; Y103-S151 VanDerWaalsContact OH-CB 3.29Å; Y103-S151 WeakPolarHBondContact OH-CB 3.3Å; S147-S151 WeakPolarHBondContact O-CB 3.15Å; S147-S151 PolarHBondContact O-N 3.12Å; S147-S151 PolarHBondContact O-OG 3.14Å; G148-S151 PolarHBondContact O-N 2.99Å; F149-S151 VanDerWaalsContact C-N 3.33Å; F149-S151 PolarHBondContact O-N 2.86Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 3.06Å; S151-M154 PolarHBondContact O-N 3.39Å; S151-E155 PolarHBondContact O-N 3.18Å; S151-E155 VanDerWaalsContact O-N 3.14Å
152	L	98.2	Very high	96.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-57.3	-44.4	173.1	175.4	67.1	0	0	0	111.9	K112 V115 G148 F149 M154 R156	K112-L152 HydrophobicContact CG-CD2 3.95Å; V115-L152 HydrophobicContact CB-CD2 3.91Å; V115-L152 HydrophobicContact CB-CG 4.48Å; V115-L152 HydrophobicContact CG1-CD2 4.12Å; V115-L152 HydrophobicContact CG2-CD2 4.12Å; V115-L152 HydrophobicContact CG2-CG 4.15Å; G148-L152 PolarHBondContact O-N 3.5Å; G148-L152 VanDerWaalsContact O-N 3.11Å; F149-L152 HydrophobicContact CD2-CD2 4.45Å; F149-L152 PolarHBondContact O-N 3.37Å; L152-M154 VanDerWaalsContact C-N 3.35Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.39Å; L152-R156 PolarHBondContact O-N 3Å
153	L	98.4	Very high	96.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-39.5	179.9	-179.6	61.4	0	0	0	111.7	V7 V9 V115 V118 L119 I122 F149 T150 S151 R156 L157	V7-L153 HydrophobicContact CG1-CD2 3.79Å; V9-L153 HydrophobicContact CG2-CD2 4.44Å; V115-L153 HydrophobicContact CG2-CD1 4.43Å; V118-L153 HydrophobicContact CG1-CD1 4.05Å; V118-L153 HydrophobicContact CG1-CD2 4.16Å; L119-L153 HydrophobicContact CD2-CD1 3.87Å; L119-L153 HydrophobicContact CG-CD1 4.28Å; I122-L153 HydrophobicContact CD1-CD1 4.19Å; I122-L153 HydrophobicContact CD1-CD2 4.46Å; F149-L153 HydrophobicContact CE1-CB 4.47Å; F149-L153 HydrophobicContact CE1-CD2 4.23Å; F149-L153 VanDerWaalsContact O-CB 3.31Å; F149-L153 WeakPolarHBondContact O-CB 3.26Å; F149-L153 PolarHBondContact O-N 3Å; T150-L153 PolarHBondContact O-N 3.23Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 3.06Å; L153-R156 PolarHBondContact O-N 2.9Å; L153-L157 HydrophobicContact CD1-CD1 4.4Å; L153-L157 HydrophobicContact CD1-CG 4.17Å; L153-L157 HydrophobicContact CG-CD1 4Å; L153-L157 HydrophobicContact CG-CG 4.21Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.32Å; L153-L157 WeakPolarHBondContact O-CG 2.92Å; L153-L157 PolarHBondContact O-N 2.86Å
154	M	98.1	Very high	96.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-40.9	179.9	-78.1	-68.6	-83.9	0	0	112.5	I137 T150 S151 L152 R156 L157 S158 K166 E168 T194 H197	I137-M154 HydrophobicContact CD1-CE 4.06Å; I137-M154 HydrophobicContact CD1-SD 3.29Å; I137-M154 WeakPolarHBondContact CD1-SD 3.5Å; I137-M154 HydrophobicContact CG1-SD 4.26Å; T150-M154 HydrophobicContact CG2-CG 4.08Å; T150-M154 WeakPolarHBondContact O-CB 3.37Å; T150-M154 WeakPolarHBondContact O-CG 3.47Å; T150-M154 PolarHBondContact O-N 3.3Å; S151-M154 PolarHBondContact O-N 3.39Å; L152-M154 VanDerWaalsContact C-N 3.35Å; M154-R156 VanDerWaalsContact C-N 3.33Å; M154-R156 PolarHBondContact O-N 3.49Å; M154-L157 PolarHBondContact O-N 3.19Å; M154-S158 WeakPolarHBondContact O-CB 3.5Å; M154-S158 PolarHBondContact O-N 2.78Å; M154-S158 PolarHBondContact O-OG 2.84Å; M154-K166 HydrophobicContact CE-CB 4Å; M154-K166 HydrophobicContact CE-CD 4.11Å; M154-K166 HydrophobicContact SD-CB 4.39Å; M154-K166 HydrophobicContact SD-CD 3.96Å; M154-K166 HydrophobicContact SD-CG 4.38Å; M154-E168 HydrophobicContact CE-CG 4.33Å; M154-T194 HydrophobicContact CB-CG2 4.39Å; M154-T194 HydrophobicContact CG-CG2 4.29Å; M154-H197 HydrophobicContact CB-CB 4.07Å; M154-H197 HydrophobicContact CE-CB 4.1Å; M154-H197 VanDerWaalsContact CE-O 3.29Å; M154-H197 WeakPolarHBondContact CE-O 3.31Å
155	E	97.4	Very high	96.7	Very high	59 Å²	59	37.9 Å²	37.9	28%	0.276	20%	0.196	S	C	.	.	H	α-helix	trans	-56.7	-48.9	171	-70.6	173.2	-166.8	0	0	110.9	H107 S151 S158 V159 T193 H197	H107-E155 IonicContact CE1-OE1 3.36Å; H107-E155 PolarHBondContact CE1-OE1 3.07Å; H107-E155 VanDerWaalsContact CE1-OE1 3.23Å; H107-E155 IonicContact NE2-OE1 2.91Å; S151-E155 PolarHBondContact O-N 3.18Å; S151-E155 VanDerWaalsContact O-N 3.14Å; E155-S158 PolarHBondContact O-N 3.49Å; E155-V159 WeakPolarHBondContact O-CG2 3.44Å; E155-V159 PolarHBondContact O-N 3.49Å; E155-V159 VanDerWaalsContact O-N 3.07Å; E155-T193 HydrophobicContact CG-CG2 4.23Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.44Å; E155-H197 WeakPolarHBondContact CG-NE2 3.34Å
156	R	97.7	Very high	96.6	Very high	109 Å²	109	37.7 Å²	37.7	41%	0.411	19%	0.194	S	C	.	.	H	α-helix	trans	-67.5	-40.1	-178.1	-59.9	-62.7	175.7	149.6	-0.3	112.6	V115 L119 L152 L153 M154 S158 V159 E160	V115-R156 HydrophobicContact CG2-CG 4.16Å; L119-R156 HydrophobicContact CD1-CB 3.67Å; L119-R156 HydrophobicContact CD1-CG 4Å; L119-R156 HydrophobicContact CD2-CB 3.91Å; L119-R156 HydrophobicContact CG-CB 4.35Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.39Å; L152-R156 PolarHBondContact O-N 3Å; L153-R156 PolarHBondContact O-N 2.9Å; M154-R156 VanDerWaalsContact C-N 3.33Å; M154-R156 PolarHBondContact O-N 3.49Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 2.97Å; R156-V159 PolarHBondContact O-N 3Å; R156-E160 PolarHBondContact O-N 3.08Å
157	L	97.9	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-35	174.2	-72.2	177.7	0	0	0	111.7	L119 I122 F135 L153 M154 V159 Y161 K166	L119-L157 HydrophobicContact CD2-CD2 4.14Å; I122-L157 HydrophobicContact CD1-CD2 4.09Å; I122-L157 HydrophobicContact CG2-CD2 4.09Å; F135-L157 HydrophobicContact CE1-CD2 4.27Å; F135-L157 HydrophobicContact CE2-CD2 4.33Å; F135-L157 HydrophobicContact CG-CD1 4.43Å; F135-L157 HydrophobicContact CZ-CD2 4.08Å; L153-L157 HydrophobicContact CD1-CD1 4.4Å; L153-L157 HydrophobicContact CD1-CG 4.17Å; L153-L157 HydrophobicContact CG-CD1 4Å; L153-L157 HydrophobicContact CG-CG 4.21Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.32Å; L153-L157 WeakPolarHBondContact O-CG 2.92Å; L153-L157 PolarHBondContact O-N 2.86Å; M154-L157 PolarHBondContact O-N 3.19Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-Y161 HydrophobicContact CD2-CD2 3.87Å; L157-Y161 HydrophobicContact CD2-CE2 4.17Å; L157-Y161 CarbonylContact O-C 3.26Å; L157-Y161 VanDerWaalsContact O-CA 3.27Å; L157-Y161 WeakPolarHBondContact O-CA 3.36Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.31Å; L157-Y161 PolarHBondContact O-N 3.18Å; L157-K166 HydrophobicContact CB-CD 4.24Å
158	S	96.7	Very high	96.6	Very high	26 Å²	26	37.5 Å²	37.5	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-68.2	-35	175.6	-63.4	0	0	0	0	112.2	M154 E155 R156 G162 K166 H197	M154-S158 WeakPolarHBondContact O-CB 3.5Å; M154-S158 PolarHBondContact O-N 2.78Å; M154-S158 PolarHBondContact O-OG 2.84Å; E155-S158 PolarHBondContact O-N 3.49Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 2.97Å; S158-G162 WeakPolarHBondContact O-CA 3.43Å; S158-G162 PolarHBondContact O-N 2.62Å; S158-G162 VanDerWaalsContact O-N 3.12Å; S158-K166 WeakPolarHBondContact OG-CE 3.21Å; S158-H197 WeakPolarHBondContact OG-CB 3.26Å; S158-H197 PolarHBondContact OG-ND1 3.24Å
159	V	96.8	Very high	96.6	Very high	123 Å²	123	37.8 Å²	37.8	75%	0.745	19%	0.193	S	C	*	.	H	α-helix	trans	-68.3	-48.6	173.7	174.9	0	0	0	0	111.9	E155 R156 L157	E155-V159 WeakPolarHBondContact O-CG2 3.44Å; E155-V159 PolarHBondContact O-N 3.49Å; E155-V159 VanDerWaalsContact O-N 3.07Å; R156-V159 PolarHBondContact O-N 3Å; L157-V159 VanDerWaalsContact C-N 3.34Å
160	E	96.4	Very high	96.5	Very high	79 Å²	79	37.9 Å²	37.9	37%	0.369	19%	0.194	S	C	.	.	H	α-helix	trans	-80.4	-31.6	-176	-67.9	-165.7	-156.6	0	0	113.4	R123 R156	R123-E160 IonicContact CZ-OE2 3.46Å; R123-E160 IonicContact NE-OE2 3.23Å; R123-E160 PolarHBondContact NE-OE2 3.38Å; R123-E160 VanDerWaalsContact NH2-CD 3.25Å; R123-E160 IonicContact NH2-OE1 3.9Å; R123-E160 PolarHBondContact NH2-OE1 2.83Å; R123-E160 IonicContact NH2-OE2 3.68Å; R123-E160 PolarHBondContact NH2-OE2 2.84Å; R156-E160 PolarHBondContact O-N 3.08Å
161	Y	96.3	Very high	96.4	Very high	33 Å²	33	38.1 Å²	38.1	13%	0.129	20%	0.195	C	C	.	.			trans	-131.8	38.8	-170.6	-57.5	-80.8	0	0	0	112.8	I122 R123 A126 L132 F135 L157 K163 K164	I122-Y161 HydrophobicContact CG2-CE2 4.23Å; R123-Y161 WeakPolarHBondContact CA-OH 3.46Å; A126-Y161 HydrophobicContact CB-CE1 3.97Å; L132-Y161 HydrophobicContact CD2-CD1 4.35Å; L132-Y161 HydrophobicContact CD2-CE1 4.38Å; F135-Y161 HydrophobicContact CE2-CD1 4.39Å; F135-Y161 AromaticContact CE2-CD2 3.98Å; F135-Y161 HydrophobicContact CE2-CD2 3.98Å; F135-Y161 AromaticContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CZ-CD1 4.09Å; F135-Y161 AromaticContact CZ-CD2 3.65Å; F135-Y161 HydrophobicContact CZ-CD2 3.65Å; F135-Y161 HydrophobicContact CZ-CE1 4.43Å; F135-Y161 HydrophobicContact CZ-CE2 4.04Å; F135-Y161 AromaticContact CZ-CG 3.69Å; F135-Y161 HydrophobicContact CZ-CG 3.69Å; L157-Y161 HydrophobicContact CD2-CD2 3.87Å; L157-Y161 HydrophobicContact CD2-CE2 4.17Å; L157-Y161 CarbonylContact O-C 3.26Å; L157-Y161 VanDerWaalsContact O-CA 3.27Å; L157-Y161 WeakPolarHBondContact O-CA 3.36Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.31Å; L157-Y161 PolarHBondContact O-N 3.18Å; Y161-K163 PolarHBondContact O-N 3.4Å; Y161-K164 HydrophobicContact CD1-CG 4.29Å; Y161-K164 WeakPolarHBondContact O-CB 3.28Å; Y161-K164 PolarHBondContact O-N 2.76Å
162	G	90.7	Very high	96.2	Very high	55 Å²	55	38.6 Å²	38.6	57%	0.567	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-22	-173.1	0	0	0	0	0	116.7	S158	S158-G162 WeakPolarHBondContact O-CA 3.43Å; S158-G162 PolarHBondContact O-N 2.62Å; S158-G162 VanDerWaalsContact O-N 3.12Å
163	K	90.9	Very high	96	Very high	209 Å²	209	39 Å²	39	91%	0.909	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.6	176.2	-62.5	-174.8	-179.6	-178.9	0	114.5	Y161	Y161-K163 PolarHBondContact O-N 3.4Å
164	K	94.6	Very high	95.5	Very high	72 Å²	72	39.1 Å²	39.1	31%	0.313	20%	0.201	S	C	.	.	S	Bend	trans	-98.1	135.7	-176.7	-58.9	-57.4	-176.7	-177.2	0	109.8	L132 F135 Y161 K166	L132-K164 HydrophobicContact CD2-CG 4.47Å; L132-K164 WeakPolarHBondContact O-CD 3.25Å; L132-K164 VanDerWaalsContact O-CE 3.32Å; L132-K164 WeakPolarHBondContact O-CE 3.39Å; L132-K164 PolarHBondContact O-NZ 2.83Å; F135-K164 HydrophobicContact CD2-CB 4.41Å; F135-K164 HydrophobicContact CE2-CB 4.02Å; Y161-K164 HydrophobicContact CD1-CG 4.29Å; Y161-K164 WeakPolarHBondContact O-CB 3.28Å; Y161-K164 PolarHBondContact O-N 2.76Å; K164-K166 PolarHBondContact O-NZ 2.92Å
165	S	95	Very high	94.8	Very high	10 Å²	10	41 Å²	41	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140.1	-179.1	-61.5	0	0	0	0	111	Q133 G134 F135 D199	Q133-S165 PolarHBondContact O-N 3.44Å; G134-S165 CarbonylContact C-O 3.57Å; G134-S165 WeakPolarHBondContact CA-O 3.17Å; F135-S165 PolarHBondContact N-O 3.16Å; S165-D199 WeakPolarHBondContact CA-OD2 3.44Å
166	K	96.7	Very high	94.2	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	101.4	174.9	-74.3	167.1	-75.3	-65	0	107.4	F135 I137 M154 L157 S158 K164 H197 D199	F135-K166 HydrophobicContact CB-CG 4.4Å; F135-K166 HydrophobicContact CD2-CG 4.06Å; I137-K166 HydrophobicContact CD1-CB 3.9Å; I137-K166 HydrophobicContact CD1-CG 4.11Å; M154-K166 HydrophobicContact CE-CB 4Å; M154-K166 HydrophobicContact CE-CD 4.11Å; M154-K166 HydrophobicContact SD-CB 4.39Å; M154-K166 HydrophobicContact SD-CD 3.96Å; M154-K166 HydrophobicContact SD-CG 4.38Å; L157-K166 HydrophobicContact CB-CD 4.24Å; S158-K166 WeakPolarHBondContact OG-CE 3.21Å; K164-K166 PolarHBondContact O-NZ 2.92Å; K166-H197 WeakPolarHBondContact CD-O 3.4Å; K166-H197 WeakPolarHBondContact CE-O 3.41Å; K166-D199 PolarHBondContact N-OD2 2.98Å; K166-D199 PolarHBondContact O-N 3.34Å
167	L	96.4	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.5	176.1	-50.8	-170	0	0	0	109.2	F135 L136 I137 D199 C200 F202 L252 F255	F135-L167 PolarHBondContact O-N 3.33Å; L136-L167 CarbonylContact C-O 3.58Å; L136-L167 WeakPolarHBondContact CA-O 3.29Å; L136-L167 HydrophobicContact CD2-CB 4.06Å; L136-L167 HydrophobicContact CD2-CD1 4.25Å; L136-L167 HydrophobicContact CD2-CG 4.36Å; I137-L167 PolarHBondContact N-O 2.69Å; L167-D199 HydrophobicContact CD2-CB 4.33Å; L167-C200 CarbonylContact C-O 3.54Å; L167-C200 VanDerWaalsContact CA-O 3.31Å; L167-C200 WeakPolarHBondContact CA-O 3.41Å; L167-C200 HydrophobicContact CD2-CB 3.81Å; L167-F202 HydrophobicContact CB-CE2 4.16Å; L167-F202 HydrophobicContact CD1-CE2 3.97Å; L167-F202 HydrophobicContact CD1-CZ 4.32Å; L167-L252 HydrophobicContact CD1-CB 4.34Å; L167-L252 HydrophobicContact CD1-CD2 3.43Å; L167-L252 VanDerWaalsContact CD1-CD2 3.43Å; L167-L252 HydrophobicContact CD1-CG 4.4Å; L167-L252 HydrophobicContact CG-CD2 4.39Å; L167-F255 HydrophobicContact CD1-CD2 4.07Å
168	E	97.8	Very high	92.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.1	-179.6	-57	178.4	-81.3	0	0	111	I137 H139 M154 S170 S198 C200 A201 F202	I137-E168 HydrophobicContact CB-CG 4.24Å; I137-E168 HydrophobicContact CD1-CG 4.45Å; I137-E168 CarbonylContact O-C 3.06Å; I137-E168 VanDerWaalsContact O-CA 3.29Å; I137-E168 WeakPolarHBondContact O-CA 3.31Å; H139-E168 IonicContact CD2-OE2 2.86Å; H139-E168 IonicContact CE1-OE2 2.8Å; H139-E168 PolarHBondContact CE1-OE2 2.89Å; H139-E168 IonicContact NE2-OE2 3.49Å; H139-E168 PolarHBondContact NE2-OE2 3.43Å; H139-E168 VanDerWaalsContact NE2-OE2 3.13Å; M154-E168 HydrophobicContact CE-CG 4.33Å; E168-S170 WeakPolarHBondContact CB-OG 3.32Å; E168-S198 WeakPolarHBondContact OE1-CB 3.4Å; E168-S198 PolarHBondContact OE1-OG 3.3Å; E168-C200 PolarHBondContact N-O 3.19Å; E168-A201 HydrophobicContact CB-CB 3.96Å; E168-F202 WeakPolarHBondContact O-CD2 3.46Å; E168-F202 PolarHBondContact O-N 3.36Å
169	F	97.7	Very high	91.9	Very high	7 Å²	7	48.8 Å²	48.8	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	101.2	168.9	-67.5	-85.7	0	0	0	106.9	L136 I137 F138 H139 F202 V235 I238	L136-F169 HydrophobicContact CB-CD2 4.42Å; L136-F169 HydrophobicContact CB-CE2 4.03Å; L136-F169 HydrophobicContact CD1-CE2 4.21Å; L136-F169 HydrophobicContact CD2-CE2 4.13Å; L136-F169 HydrophobicContact CG-CE2 4.34Å; I137-F169 PolarHBondContact O-N 3.4Å; F138-F169 WeakPolarHBondContact CA-O 3.29Å; F138-F169 HydrophobicContact CD1-CB 3.55Å; F138-F169 HydrophobicContact CD1-CD2 4.07Å; F138-F169 AromaticContact CD1-CG 3.99Å; F138-F169 HydrophobicContact CD1-CG 3.99Å; F138-F169 HydrophobicContact CD2-CD2 4.38Å; F138-F169 HydrophobicContact CE1-CB 3.74Å; F138-F169 HydrophobicContact CE1-CD1 4.38Å; F138-F169 AromaticContact CE1-CD2 3.58Å; F138-F169 HydrophobicContact CE1-CD2 3.58Å; F138-F169 HydrophobicContact CE1-CE2 4.25Å; F138-F169 AromaticContact CE1-CG 3.64Å; F138-F169 HydrophobicContact CE1-CG 3.64Å; F138-F169 AromaticContact CE2-CD2 3.93Å; F138-F169 HydrophobicContact CE2-CD2 3.93Å; F138-F169 HydrophobicContact CE2-CE2 4.36Å; F138-F169 HydrophobicContact CG-CB 4.16Å; F138-F169 HydrophobicContact CG-CD2 4.45Å; F138-F169 HydrophobicContact CZ-CB 4.49Å; F138-F169 AromaticContact CZ-CD2 3.49Å; F138-F169 HydrophobicContact CZ-CD2 3.49Å; F138-F169 VanDerWaalsContact CZ-CD2 3.49Å; F138-F169 AromaticContact CZ-CE2 3.83Å; F138-F169 HydrophobicContact CZ-CE2 3.83Å; F138-F169 HydrophobicContact CZ-CG 4.06Å; H139-F169 PolarHBondContact N-O 3.29Å; F169-F202 HydrophobicContact CD1-CB 4.29Å; F169-F202 AromaticContact CD1-CD2 4Å; F169-F202 HydrophobicContact CD1-CD2 4Å; F169-F202 AromaticContact CE1-CD2 3.69Å; F169-F202 HydrophobicContact CE1-CD2 3.69Å; F169-F202 HydrophobicContact CE1-CE2 4.31Å; F169-F202 HydrophobicContact CE1-CG 4.48Å; F169-F202 AromaticContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CE2 4.22Å; F169-V235 HydrophobicContact CD1-CG2 3.6Å; F169-V235 HydrophobicContact CE1-CB 4.2Å; F169-V235 HydrophobicContact CE1-CG1 4.3Å; F169-V235 HydrophobicContact CE1-CG2 3.66Å; F169-V235 HydrophobicContact CG-CG2 4.19Å; F169-V235 HydrophobicContact CZ-CG1 4.19Å; F169-V235 HydrophobicContact CZ-CG2 4.34Å; F169-I238 HydrophobicContact CE1-CD1 3.52Å; F169-I238 HydrophobicContact CZ-CB 4.44Å; F169-I238 HydrophobicContact CZ-CD1 4.13Å; F169-I238 HydrophobicContact CZ-CG2 4.07Å
170	S	96.2	Very high	91.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.2	-161.1	-34.8	0	0	0	0	112.4	H139 E168 Y172 F202 M203 V204	H139-S170 PolarHBondContact CD2-OG 2.84Å; H139-S170 VanDerWaalsContact CD2-OG 3.24Å; H139-S170 WeakPolarHBondContact NE2-CB 3.46Å; H139-S170 PolarHBondContact NE2-OG 2.91Å; H139-S170 WeakPolarHBondContact O-CA 3.26Å; E168-S170 WeakPolarHBondContact CB-OG 3.32Å; S170-Y172 PolarHBondContact O-N 2.96Å; S170-F202 PolarHBondContact N-O 3.46Å; S170-F202 VanDerWaalsContact N-O 3.11Å; S170-M203 VanDerWaalsContact CB-CE 3.48Å; S170-V204 PolarHBondContact O-N 2.86Å; S170-V204 VanDerWaalsContact O-N 3.09Å
171	V	96	Very high	91.3	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.3	169.9	-175.8	0	0	0	0	108.7	A12 M16 H139 S140 F141 V204	A12-V171 HydrophobicContact CB-CG2 4.38Å; M16-V171 HydrophobicContact CE-CG2 3.93Å; M16-V171 HydrophobicContact SD-CG2 3.7Å; H139-V171 PolarHBondContact O-N 3.1Å; H139-V171 VanDerWaalsContact O-N 3.07Å; S140-V171 WeakPolarHBondContact CA-O 3.47Å; S140-V171 PolarHBondContact OG-O 2.97Å; F141-V171 PolarHBondContact N-O 3.16Å; F141-V171 VanDerWaalsContact N-O 3.13Å; V171-V204 CarbonylContact C-O 3.59Å; V171-V204 WeakPolarHBondContact CA-O 3.29Å; V171-V204 HydrophobicContact CG2-CG2 4.12Å
172	Y	95.1	Very high	91.2	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	151.8	179.8	-155.7	-100	0	0	0	111.4	F141 S170 A174 M203 V204 D205 A387 W388 L391	F141-Y172 HydrophobicContact CB-CD2 4.22Å; F141-Y172 HydrophobicContact CD1-CD2 4.05Å; F141-Y172 AromaticContact CD1-CE2 3.82Å; F141-Y172 HydrophobicContact CD1-CE2 3.82Å; F141-Y172 HydrophobicContact CD2-CD2 4.02Å; F141-Y172 HydrophobicContact CE1-CD2 4.45Å; F141-Y172 HydrophobicContact CE1-CE2 4.16Å; F141-Y172 HydrophobicContact CE2-CD2 4.44Å; F141-Y172 AromaticContact CG-CD2 3.82Å; F141-Y172 HydrophobicContact CG-CD2 3.82Å; F141-Y172 HydrophobicContact CG-CE2 4.06Å; S170-Y172 PolarHBondContact O-N 2.96Å; Y172-A174 PolarHBondContact O-N 3.46Å; Y172-M203 HydrophobicContact CD2-SD 3.7Å; Y172-M203 HydrophobicContact CE2-SD 4.45Å; Y172-M203 HydrophobicContact CG-SD 4.19Å; Y172-V204 PolarHBondContact N-O 2.75Å; Y172-D205 WeakPolarHBondContact O-CB 3.42Å; Y172-A387 HydrophobicContact CE1-CB 4.17Å; Y172-W388 HydrophobicContact CE2-CZ3 4.11Å; Y172-W388 AromaticContact CZ-CZ3 3.98Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.41Å; Y172-L391 HydrophobicContact CE1-CD2 4.45Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.22Å
173	P	92.7	Very high	91.5	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.078	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-53.4	131.7	176.9	-31.3	36.5	0	0	0	113.9	E183 S187 L391	P173-E183 HydrophobicContact CB-CG 4.02Å; P173-E183 HydrophobicContact CG-CG 3.79Å; P173-S187 WeakPolarHBondContact CG-OG 3.15Å; P173-L391 HydrophobicContact CB-CD1 4.18Å; P173-L391 HydrophobicContact CG-CD1 4.04Å
174	A	88.7	Confident	91.7	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-90.7	156.1	173.5	0	0	0	0	0	111.8	Y172 Q176 I177 D205 E207 K394	Y172-A174 PolarHBondContact O-N 3.46Å; A174-Q176 PolarHBondContact O-N 2.8Å; A174-I177 HydrophobicContact CB-CB 4.24Å; A174-D205 HydrophobicContact CB-CB 4.35Å; A174-E207 HydrophobicContact CB-CB 3.56Å; A174-K394 PolarHBondContact O-NZ 2.96Å
175	P	82.9	Confident	91.9	Very high	40 Å²	40	28.4 Å²	28.4	26%	0.26	17%	0.166	S	C	.	.	S	Bend	trans	-57.1	-47.4	177.8	-27.4	35	0	0	0	114.3	E207 K304 K394	P175-E207 VanDerWaalsContact CD-OE2 3.29Å; P175-E207 WeakPolarHBondContact CD-OE2 3.39Å; P175-K304 HydrophobicContact CG-CB 3.88Å; P175-K304 HydrophobicContact CG-CG 4.19Å; P175-K394 PolarHBondContact O-NZ 3.33Å
176	Q	84.3	Confident	92	Very high	168 Å²	168	27.9 Å²	27.9	79%	0.785	16%	0.162	S	C	*	.	S	Bend	trans	-112.1	-16.4	-170.7	-55.9	-175.3	12.8	0	0	114.1	A174 E207	A174-Q176 PolarHBondContact O-N 2.8Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.28Å; Q176-E207 PolarHBondContact N-OE2 2.79Å
177	I	82.1	Confident	92	Very high	58 Å²	58	27.6 Å²	27.6	30%	0.297	16%	0.161	S	C	.	.			trans	-111.9	95.9	-179.4	-55.1	178.5	0	0	0	108.4	A174 E207 Y210	A174-I177 HydrophobicContact CB-CB 4.24Å; I177-E207 HydrophobicContact CD1-CB 3.94Å; I177-E207 HydrophobicContact CD1-CG 4.11Å; I177-E207 HydrophobicContact CG1-CB 4.31Å; I177-E207 HydrophobicContact CG1-CG 4.38Å; I177-Y210 HydrophobicContact CD1-CD2 3.48Å; I177-Y210 VanDerWaalsContact CD1-CD2 3.48Å; I177-Y210 HydrophobicContact CD1-CE2 3.88Å; I177-Y210 HydrophobicContact CD1-CG 4.45Å
178	A	82.4	Confident	92.1	Very high	60 Å²	60	27.6 Å²	27.6	50%	0.496	16%	0.161	S	C	.	.			trans	-104.9	134.6	172.5	0	0	0	0	0	109.8	E183	A178-E183 WeakPolarHBondContact CA-OE1 3.27Å; A178-E183 WeakPolarHBondContact CA-OE2 3.26Å; A178-E183 VanDerWaalsContact CB-OE2 3.32Å; A178-E183 WeakPolarHBondContact CB-OE2 3.23Å
179	T	80.3	Confident	92.1	Very high	71 Å²	71	27.7 Å²	27.7	44%	0.436	16%	0.161	S	C	.	.	S	Bend	trans	-84.8	-20.1	177.1	57	0	0	0	0	112.5	E183	T179-E183 PolarHBondContact N-OE1 3.13Å; T179-E183 VanDerWaalsContact N-OE1 3.1Å
180	A	88	Confident	92.1	Very high	14 Å²	14	27.3 Å²	27.3	12%	0.116	16%	0.16	C	C	.	.			trans	-145.8	150.6	179	0	0	0	0	0	111.4	N101 V182 E183	N101-A180 HydrophobicContact CB-CB 3.71Å; A180-V182 HydrophobicContact CB-CG2 4.49Å; A180-V182 PolarHBondContact O-N 3.48Å; A180-E183 WeakPolarHBondContact O-CB 3.36Å; A180-E183 PolarHBondContact O-N 3.13Å
181	V	91.7	Very high	92.1	Very high	105 Å²	105	27.4 Å²	27.4	64%	0.636	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-33.4	177	-179.4	0	0	0	0	111.5	E183 M398 F404	V181-E183 VanDerWaalsContact C-N 3.32Å; V181-M398 WeakPolarHBondContact O-CE 3.35Å; V181-F404 HydrophobicContact CB-CE2 4.43Å; V181-F404 HydrophobicContact CG1-CD2 4.41Å; V181-F404 HydrophobicContact CG1-CE2 3.52Å; V181-F404 HydrophobicContact CG1-CZ 3.9Å
182	V	95.5	Very high	92.2	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.042	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	9.8	-178.5	-59.1	0	0	0	0	113.7	N101 A180 P184 Y185 N186 M398 F404 Y408	N101-V182 HydrophobicContact CB-CG2 4.41Å; N101-V182 WeakPolarHBondContact O-CG2 3.21Å; A180-V182 HydrophobicContact CB-CG2 4.49Å; A180-V182 PolarHBondContact O-N 3.48Å; V182-P184 VanDerWaalsContact C-N 3.27Å; V182-Y185 PolarHBondContact O-N 2.82Å; V182-Y185 VanDerWaalsContact O-N 3.08Å; V182-N186 PolarHBondContact O-N 2.84Å; V182-M398 HydrophobicContact CG1-CE 4.3Å; V182-F404 HydrophobicContact CG1-CB 3.68Å; V182-F404 HydrophobicContact CG1-CD1 4.18Å; V182-F404 HydrophobicContact CG1-CD2 3.76Å; V182-F404 HydrophobicContact CG1-CE2 4.45Å; V182-F404 HydrophobicContact CG1-CG 3.6Å; V182-Y408 HydrophobicContact CB-CE2 4.33Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.37Å; V182-Y408 HydrophobicContact CG1-CE2 4.39Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.21Å
183	E	95.8	Very high	92.3	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.047	18%	0.176	C	C	.	.	H	α-helix	trans	-49	-39.5	176.1	174.8	-179.3	-85.2	0	0	113.6	P173 A178 T179 A180 V181 Y185 N186 S187	P173-E183 HydrophobicContact CB-CG 4.02Å; P173-E183 HydrophobicContact CG-CG 3.79Å; A178-E183 WeakPolarHBondContact CA-OE1 3.27Å; A178-E183 WeakPolarHBondContact CA-OE2 3.26Å; A178-E183 VanDerWaalsContact CB-OE2 3.32Å; A178-E183 WeakPolarHBondContact CB-OE2 3.23Å; T179-E183 PolarHBondContact N-OE1 3.13Å; T179-E183 VanDerWaalsContact N-OE1 3.1Å; A180-E183 WeakPolarHBondContact O-CB 3.36Å; A180-E183 PolarHBondContact O-N 3.13Å; V181-E183 VanDerWaalsContact C-N 3.32Å; E183-Y185 PolarHBondContact O-N 3.34Å; E183-N186 PolarHBondContact O-N 3.33Å; E183-S187 WeakPolarHBondContact O-CB 3.47Å; E183-S187 PolarHBondContact O-N 3.26Å; E183-S187 PolarHBondContact O-OG 2.6Å
184	P	96.5	Very high	92.5	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.045	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-43.1	176.3	-26.1	36.7	0	0	0	114.3	V182 S187 I188 L391 K394 F395 M398	V182-P184 VanDerWaalsContact C-N 3.27Å; P184-S187 PolarHBondContact O-N 2.66Å; P184-I188 PolarHBondContact O-N 2.76Å; P184-I188 VanDerWaalsContact O-N 3.11Å; P184-L391 HydrophobicContact CB-CD1 4.08Å; P184-K394 HydrophobicContact CB-CB 4.1Å; P184-K394 HydrophobicContact CG-CB 3.73Å; P184-K394 HydrophobicContact CG-CD 4.33Å; P184-F395 HydrophobicContact CB-CB 4.33Å; P184-M398 HydrophobicContact CB-SD 4.27Å; P184-M398 HydrophobicContact CG-SD 3.86Å
185	Y	97.7	Very high	92.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-48.7	177.5	-71.6	-10.9	0	0	0	111.5	V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418	V182-Y185 PolarHBondContact O-N 2.82Å; V182-Y185 VanDerWaalsContact O-N 3.08Å; E183-Y185 PolarHBondContact O-N 3.34Å; Y185-S187 VanDerWaalsContact C-N 3.25Å; Y185-S187 PolarHBondContact O-N 2.88Å; Y185-I188 PolarHBondContact O-N 2.91Å; Y185-L189 WeakPolarHBondContact O-CB 3.24Å; Y185-L189 WeakPolarHBondContact O-CD1 3.2Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.37Å; Y185-L189 PolarHBondContact O-N 3.45Å; Y185-F395 AromaticContact CD1-CD2 3.37Å; Y185-F395 HydrophobicContact CD1-CD2 3.37Å; Y185-F395 AromaticContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CE2 3.47Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CG 4.18Å; Y185-F395 HydrophobicContact CD1-CZ 4.34Å; Y185-F395 AromaticContact CE1-CD2 3.83Å; Y185-F395 HydrophobicContact CE1-CD2 3.83Å; Y185-F395 AromaticContact CE1-CE2 3.86Å; Y185-F395 HydrophobicContact CE1-CE2 3.86Å; Y185-F395 HydrophobicContact CE1-CG 4.25Å; Y185-F395 HydrophobicContact CE1-CZ 4.32Å; Y185-F395 HydrophobicContact CG-CE2 4.46Å; Y185-M398 HydrophobicContact CD2-CE 4.32Å; Y185-M398 HydrophobicContact CE1-CB 3.86Å; Y185-M398 HydrophobicContact CE2-CE 4.14Å; Y185-M398 PolarHBondContact OH-O 3Å; Y185-Y399 HydrophobicContact CE1-CD2 4.47Å; Y185-Y399 VanDerWaalsContact OH-CA 3.25Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.47Å; Y185-Y399 PolarHBondContact OH-N 3.22Å; Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 2.55Å; Y185-F404 HydrophobicContact CE2-CB 4.44Å; Y185-V405 HydrophobicContact CE2-CG2 4.25Å; Y185-Y408 HydrophobicContact CD2-CD2 4.33Å; Y185-Y408 AromaticContact CD2-CE2 3.77Å; Y185-Y408 HydrophobicContact CD2-CE2 3.77Å; Y185-Y408 AromaticContact CD2-CZ 3.97Å; Y185-F418 HydrophobicContact CD1-CD1 4.35Å; Y185-F418 HydrophobicContact CD1-CE1 4.02Å; Y185-F418 AromaticContact CD2-CE1 3.66Å; Y185-F418 HydrophobicContact CD2-CE1 3.66Å; Y185-F418 HydrophobicContact CD2-CZ 4.1Å; Y185-F418 HydrophobicContact CE1-CE1 4.39Å; Y185-F418 HydrophobicContact CE2-CE1 4.05Å; Y185-F418 HydrophobicContact CE2-CZ 4.33Å; Y185-F418 HydrophobicContact CG-CD1 4.38Å; Y185-F418 AromaticContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CZ 4.49Å
186	N	97.9	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-42.3	179.8	-68.3	-12.7	0	0	0	112	N101 Y103 F141 G142 V182 E183 T190 Y408	N101-N186 PolarHBondContact O-ND2 3.41Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.45Å; Y103-N186 PolarHBondContact N-OD1 3.38Å; F141-N186 CarbonylContact O-C 3.59Å; F141-N186 VanDerWaalsContact O-C 3.29Å; F141-N186 WeakPolarHBondContact O-CB 3.42Å; G142-N186 PolarHBondContact O-ND2 3.29Å; V182-N186 PolarHBondContact O-N 2.84Å; E183-N186 PolarHBondContact O-N 3.33Å; N186-T190 VanDerWaalsContact O-CB 3.26Å; N186-T190 WeakPolarHBondContact O-CB 3.43Å; N186-T190 PolarHBondContact O-N 2.88Å; N186-T190 PolarHBondContact O-OG1 3.5Å; N186-Y408 PolarHBondContact OD1-OH 3.07Å
187	S	97	Very high	93.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.5	-40.4	-174.2	-55.4	0	0	0	0	111.8	F141 P173 E183 P184 Y185 T191	F141-S187 WeakPolarHBondContact O-CA 3.43Å; F141-S187 PolarHBondContact O-N 2.86Å; F141-S187 PolarHBondContact O-OG 3.3Å; P173-S187 WeakPolarHBondContact CG-OG 3.15Å; E183-S187 WeakPolarHBondContact O-CB 3.47Å; E183-S187 PolarHBondContact O-N 3.26Å; E183-S187 PolarHBondContact O-OG 2.6Å; P184-S187 PolarHBondContact O-N 2.66Å; Y185-S187 VanDerWaalsContact C-N 3.25Å; Y185-S187 PolarHBondContact O-N 2.88Å; S187-T191 WeakPolarHBondContact O-CB 3.22Å; S187-T191 PolarHBondContact O-N 3.03Å; S187-T191 PolarHBondContact O-OG1 3.43Å
188	I	97.5	Very high	94.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-48.2	174.6	-82.1	160.4	0	0	0	111.2	P184 Y185 T190 T191 H192 L391 F395 A421 L425	P184-I188 PolarHBondContact O-N 2.76Å; P184-I188 VanDerWaalsContact O-N 3.11Å; Y185-I188 PolarHBondContact O-N 2.91Å; I188-T190 VanDerWaalsContact C-N 3.32Å; I188-T190 PolarHBondContact O-N 3.01Å; I188-T191 PolarHBondContact O-N 2.99Å; I188-H192 WeakPolarHBondContact O-CB 3.44Å; I188-H192 PolarHBondContact O-N 2.83Å; I188-L391 HydrophobicContact CD1-CD2 4.4Å; I188-L391 HydrophobicContact CD1-CG 4.1Å; I188-L391 HydrophobicContact CG1-CD2 3.87Å; I188-L391 HydrophobicContact CG1-CG 4.11Å; I188-F395 HydrophobicContact CB-CD2 4.09Å; I188-F395 HydrophobicContact CB-CE2 4.31Å; I188-F395 HydrophobicContact CD1-CB 3.32Å; I188-F395 HydrophobicContact CD1-CD1 4.37Å; I188-F395 HydrophobicContact CD1-CD2 3.26Å; I188-F395 HydrophobicContact CD1-CE2 4.14Å; I188-F395 HydrophobicContact CD1-CG 3.41Å; I188-F395 VanDerWaalsContact CD1-CG 3.41Å; I188-F395 HydrophobicContact CG1-CD2 4.23Å; I188-F395 HydrophobicContact CG2-CD2 4.21Å; I188-F395 HydrophobicContact CG2-CE2 4.02Å; I188-A421 HydrophobicContact CG2-CB 3.65Å; I188-L425 HydrophobicContact CD1-CD2 4.11Å; I188-L425 HydrophobicContact CG1-CD2 3.49Å; I188-L425 VanDerWaalsContact CG1-CD2 3.49Å
189	L	98.3	Very high	95	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-41.7	178.5	-69	165.2	0	0	0	111.7	Y103 Y185 H192 T193 Y408 M413 F418 A421	Y103-L189 HydrophobicContact CD1-CB 3.88Å; Y103-L189 HydrophobicContact CD1-CD1 3.72Å; Y103-L189 HydrophobicContact CD1-CG 4.36Å; Y103-L189 HydrophobicContact CD2-CB 3.92Å; Y103-L189 HydrophobicContact CE1-CB 3.86Å; Y103-L189 HydrophobicContact CE1-CD1 4.32Å; Y103-L189 HydrophobicContact CE2-CB 3.9Å; Y103-L189 HydrophobicContact CG-CB 3.94Å; Y103-L189 HydrophobicContact CG-CD1 4Å; Y185-L189 WeakPolarHBondContact O-CB 3.24Å; Y185-L189 WeakPolarHBondContact O-CD1 3.2Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.37Å; Y185-L189 PolarHBondContact O-N 3.45Å; L189-H192 PolarHBondContact O-N 3.28Å; L189-T193 PolarHBondContact O-N 3.18Å; L189-T193 PolarHBondContact O-OG1 2.92Å; L189-Y408 HydrophobicContact CD1-CD1 3.82Å; L189-Y408 HydrophobicContact CD1-CE1 3.75Å; L189-M413 HydrophobicContact CD1-CE 3.84Å; L189-M413 HydrophobicContact CD1-SD 3.88Å; L189-M413 HydrophobicContact CD2-CE 3.76Å; L189-M413 HydrophobicContact CD2-SD 4.26Å; L189-M413 HydrophobicContact CG-CE 4.47Å; L189-F418 HydrophobicContact CD1-CD1 4.44Å; L189-F418 HydrophobicContact CD1-CE1 4.04Å; L189-A421 HydrophobicContact CD2-CB 3.97Å
190	T	97.8	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-45.7	177	-60.5	0	0	0	0	111.7	Y103 F141 S147 N186 I188 H192 T193 T194	Y103-T190 WeakPolarHBondContact CD2-OG1 3.35Å; Y103-T190 WeakPolarHBondContact CE2-OG1 3.48Å; F141-T190 HydrophobicContact CD1-CG2 4.02Å; F141-T190 HydrophobicContact CE1-CG2 4.11Å; F141-T190 HydrophobicContact CG-CG2 4.41Å; S147-T190 WeakPolarHBondContact CA-OG1 3.43Å; S147-T190 WeakPolarHBondContact CB-OG1 3.5Å; S147-T190 PolarHBondContact O-OG1 3.33Å; N186-T190 VanDerWaalsContact O-CB 3.26Å; N186-T190 WeakPolarHBondContact O-CB 3.43Å; N186-T190 PolarHBondContact O-N 2.88Å; N186-T190 PolarHBondContact O-OG1 3.5Å; I188-T190 VanDerWaalsContact C-N 3.32Å; I188-T190 PolarHBondContact O-N 3.01Å; T190-H192 VanDerWaalsContact C-N 3.28Å; T190-H192 PolarHBondContact O-N 3.26Å; T190-T193 PolarHBondContact O-N 3.32Å; T190-T194 HydrophobicContact CG2-CG2 4.06Å; T190-T194 WeakPolarHBondContact O-CB 3.18Å; T190-T194 WeakPolarHBondContact O-CG2 3.21Å; T190-T194 PolarHBondContact O-N 2.84Å; T190-T194 PolarHBondContact O-OG1 3.37Å
191	T	96.9	Very high	96.1	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-49.9	177	-54.1	0	0	0	0	109.8	F141 S187 I188 T193 T194 L195 F267 W388 L425 L428	F141-T191 VanDerWaalsContact CE1-OG1 3.31Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.46Å; S187-T191 WeakPolarHBondContact O-CB 3.22Å; S187-T191 PolarHBondContact O-N 3.03Å; S187-T191 PolarHBondContact O-OG1 3.43Å; I188-T191 PolarHBondContact O-N 2.99Å; T191-T193 PolarHBondContact O-N 3.4Å; T191-T194 PolarHBondContact O-N 3.05Å; T191-L195 VanDerWaalsContact O-CB 3.3Å; T191-L195 WeakPolarHBondContact O-CB 3.32Å; T191-L195 PolarHBondContact O-N 2.7Å; T191-F267 HydrophobicContact CG2-CZ 4.09Å; T191-W388 HydrophobicContact CG2-CE3 4.49Å; T191-W388 HydrophobicContact CG2-CH2 3.71Å; T191-W388 HydrophobicContact CG2-CZ3 3.4Å; T191-L425 HydrophobicContact CG2-CD1 3.84Å; T191-L428 HydrophobicContact CG2-CD2 4.27Å
192	H	97.2	Very high	96.4	Very high	57 Å²	57	18 Å²	18	26%	0.264	9%	0.089	S	C	.	.	H	α-helix	trans	-56.7	-51.9	-179.9	175.2	58.4	0	0	0	112.2	I188 L189 T190 A421 D424	I188-H192 WeakPolarHBondContact O-CB 3.44Å; I188-H192 PolarHBondContact O-N 2.83Å; L189-H192 PolarHBondContact O-N 3.28Å; T190-H192 VanDerWaalsContact C-N 3.28Å; T190-H192 PolarHBondContact O-N 3.26Å; H192-A421 HydrophobicContact CB-CB 3.5Å; H192-D424 IonicContact CE1-OD2 3.57Å; H192-D424 IonicContact CG-OD2 2.83Å; H192-D424 WeakPolarHBondContact ND1-CB 3.44Å; H192-D424 IonicContact ND1-OD2 2.82Å; H192-D424 PolarHBondContact ND1-OD2 3.41Å
193	T	96.6	Very high	96.3	Very high	23 Å²	23	17.7 Å²	17.7	14%	0.141	9%	0.087	C	C	.	.	H	α-helix	trans	-72	-34.9	-176.6	-57.2	0	0	0	0	113.2	Y103 E155 L189 T190 T191 H197	Y103-T193 WeakPolarHBondContact OH-CB 3.31Å; Y103-T193 PolarHBondContact OH-OG1 3.22Å; E155-T193 HydrophobicContact CG-CG2 4.23Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.44Å; L189-T193 PolarHBondContact O-N 3.18Å; L189-T193 PolarHBondContact O-OG1 2.92Å; T190-T193 PolarHBondContact O-N 3.32Å; T191-T193 PolarHBondContact O-N 3.4Å; T193-H197 PolarHBondContact O-CD2 2.85Å; T193-H197 VanDerWaalsContact O-CD2 3.26Å
194	T	96.8	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-84.7	-11.8	-179.1	66.2	0	0	0	0	113.8	M154 T190 T191 E196 H197 S198	M154-T194 HydrophobicContact CB-CG2 4.39Å; M154-T194 HydrophobicContact CG-CG2 4.29Å; T190-T194 HydrophobicContact CG2-CG2 4.06Å; T190-T194 WeakPolarHBondContact O-CB 3.18Å; T190-T194 WeakPolarHBondContact O-CG2 3.21Å; T190-T194 PolarHBondContact O-N 2.84Å; T190-T194 PolarHBondContact O-OG1 3.37Å; T191-T194 PolarHBondContact O-N 3.05Å; T194-E196 VanDerWaalsContact C-N 3.25Å; T194-E196 PolarHBondContact O-N 3.21Å; T194-E196 VanDerWaalsContact O-N 3.16Å; T194-H197 PolarHBondContact O-N 3.28Å; T194-S198 PolarHBondContact O-N 3.02Å
195	L	95.3	Very high	96.2	Very high	11 Å²	11	17.3 Å²	17.3	6%	0.058	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.2	-173.7	-161.3	70.2	0	0	0	113.5	T191 R264 H266 F267 L428	T191-L195 VanDerWaalsContact O-CB 3.3Å; T191-L195 WeakPolarHBondContact O-CB 3.32Å; T191-L195 PolarHBondContact O-N 2.7Å; L195-R264 HydrophobicContact CD2-CG 4.12Å; L195-R264 VanDerWaalsContact CD2-CZ 3.45Å; L195-R264 HydrophobicContact CG-CG 4.44Å; L195-H266 PolarHBondContact O-CE1 2.89Å; L195-F267 HydrophobicContact CD1-CE2 3.8Å; L195-F267 HydrophobicContact CD1-CZ 3.92Å; L195-L428 HydrophobicContact CD1-CD2 4.18Å
196	E	93.6	Very high	96	Very high	172 Å²	172	18.2 Å²	18.2	80%	0.804	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.4	179.8	-59.8	-169.2	161	0	0	113.6	T194	T194-E196 VanDerWaalsContact C-N 3.25Å; T194-E196 PolarHBondContact O-N 3.21Å; T194-E196 VanDerWaalsContact O-N 3.16Å
197	H	95.7	Very high	95.9	Very high	41 Å²	41	19.2 Å²	19.2	19%	0.19	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-16.3	-171.5	-61	-28.6	0	0	0	113.2	M154 E155 S158 K166 T193 T194	M154-H197 HydrophobicContact CB-CB 4.07Å; M154-H197 HydrophobicContact CE-CB 4.1Å; M154-H197 VanDerWaalsContact CE-O 3.29Å; M154-H197 WeakPolarHBondContact CE-O 3.31Å; E155-H197 WeakPolarHBondContact CG-NE2 3.34Å; S158-H197 WeakPolarHBondContact OG-CB 3.26Å; S158-H197 PolarHBondContact OG-ND1 3.24Å; K166-H197 WeakPolarHBondContact CD-O 3.4Å; K166-H197 WeakPolarHBondContact CE-O 3.41Å; T193-H197 PolarHBondContact O-CD2 2.85Å; T193-H197 VanDerWaalsContact O-CD2 3.26Å; T194-H197 PolarHBondContact O-N 3.28Å
198	S	95.3	Very high	95.8	Very high	10 Å²	10	19.4 Å²	19.4	7%	0.07	10%	0.097	C	C	.	.			trans	-93.4	134.9	177	-165.6	0	0	0	0	111.5	E168 T194	E168-S198 WeakPolarHBondContact OE1-CB 3.4Å; E168-S198 PolarHBondContact OE1-OG 3.3Å; T194-S198 PolarHBondContact O-N 3.02Å
199	D	94.9	Very high	95.7	Very high	33 Å²	33	19.4 Å²	19.4	18%	0.176	10%	0.097	C	C	.	.	S	Bend	trans	-88.1	-30.2	172.3	-66.3	-71.3	0	0	0	111.7	S165 K166 L167 Q256	S165-D199 WeakPolarHBondContact CA-OD2 3.44Å; K166-D199 PolarHBondContact N-OD2 2.98Å; K166-D199 PolarHBondContact O-N 3.34Å; L167-D199 HydrophobicContact CD2-CB 4.33Å; D199-Q256 HydrophobicContact CB-CG 4.45Å; D199-Q256 PolarHBondContact OD1-NE2 3.34Å
200	C	94.7	Very high	95.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	130.6	177.9	-176.2	0	0	0	0	109.8	L167 E168 F202 V260 P268	L167-C200 CarbonylContact C-O 3.54Å; L167-C200 VanDerWaalsContact CA-O 3.31Å; L167-C200 WeakPolarHBondContact CA-O 3.41Å; L167-C200 HydrophobicContact CD2-CB 3.81Å; E168-C200 PolarHBondContact N-O 3.19Å; C200-F202 WeakPolarHBondContact SG-CE1 3.45Å; C200-V260 HydrophobicContact CB-CG2 4.46Å; C200-P268 VanDerWaalsContact SG-CD 3.56Å; C200-P268 VanDerWaalsContact SG-CG 3.58Å
201	A	96.3	Very high	95.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108.5	179.2	0	0	0	0	0	109.9	E168 M203 H266 F267	E168-A201 HydrophobicContact CB-CB 3.96Å; A201-M203 HydrophobicContact CB-CE 3.43Å; A201-M203 VanDerWaalsContact CB-CE 3.43Å; A201-M203 WeakPolarHBondContact O-CE 3.31Å; A201-M203 PolarHBondContact O-N 3.24Å; A201-H266 PolarHBondContact N-O 2.89Å; A201-F267 HydrophobicContact CB-CD1 3.82Å; A201-F267 HydrophobicContact CB-CE1 3.99Å; A201-F267 WeakPolarHBondContact O-CA 3.25Å
202	F	96.3	Very high	95.4	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	108.7	177.9	-56.9	-61	0	0	0	109.7	L167 E168 F169 S170 C200 I238 F255 L259 P268 L378	L167-F202 HydrophobicContact CB-CE2 4.16Å; L167-F202 HydrophobicContact CD1-CE2 3.97Å; L167-F202 HydrophobicContact CD1-CZ 4.32Å; E168-F202 WeakPolarHBondContact O-CD2 3.46Å; E168-F202 PolarHBondContact O-N 3.36Å; F169-F202 HydrophobicContact CD1-CB 4.29Å; F169-F202 AromaticContact CD1-CD2 4Å; F169-F202 HydrophobicContact CD1-CD2 4Å; F169-F202 AromaticContact CE1-CD2 3.69Å; F169-F202 HydrophobicContact CE1-CD2 3.69Å; F169-F202 HydrophobicContact CE1-CE2 4.31Å; F169-F202 HydrophobicContact CE1-CG 4.48Å; F169-F202 AromaticContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CE2 4.22Å; S170-F202 PolarHBondContact N-O 3.46Å; S170-F202 VanDerWaalsContact N-O 3.11Å; C200-F202 WeakPolarHBondContact SG-CE1 3.45Å; F202-I238 HydrophobicContact CD2-CD1 4.01Å; F202-I238 HydrophobicContact CE2-CD1 4.12Å; F202-I238 HydrophobicContact CE2-CG2 4.14Å; F202-I238 HydrophobicContact CG-CD1 4.2Å; F202-I238 HydrophobicContact CZ-CD1 4.43Å; F202-I238 HydrophobicContact CZ-CG2 4.44Å; F202-F255 HydrophobicContact CZ-CB 4.35Å; F202-F255 HydrophobicContact CZ-CD1 4.37Å; F202-F255 HydrophobicContact CZ-CD2 4.48Å; F202-F255 HydrophobicContact CZ-CG 4.16Å; F202-L259 HydrophobicContact CE1-CD1 4.21Å; F202-P268 HydrophobicContact CD1-CB 4.29Å; F202-L378 HydrophobicContact CD1-CD1 3.91Å; F202-L378 HydrophobicContact CD1-CD2 3.94Å; F202-L378 HydrophobicContact CD1-CG 4.37Å; F202-L378 HydrophobicContact CE1-CB 4.47Å; F202-L378 HydrophobicContact CE1-CD1 3.34Å; F202-L378 HydrophobicContact CE1-CD2 4.26Å; F202-L378 HydrophobicContact CE1-CG 4.2Å; F202-L378 HydrophobicContact CZ-CD1 3.83Å
203	M	95	Very high	95.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135	-174.3	-61.8	-65.6	94.1	0	0	111.7	F141 S170 Y172 A201 F267 P268 L269 V303	F141-M203 HydrophobicContact CE2-CE 3.92Å; F141-M203 HydrophobicContact CE2-SD 4.29Å; F141-M203 HydrophobicContact CZ-CE 4.37Å; S170-M203 VanDerWaalsContact CB-CE 3.48Å; Y172-M203 HydrophobicContact CD2-SD 3.7Å; Y172-M203 HydrophobicContact CE2-SD 4.45Å; Y172-M203 HydrophobicContact CG-SD 4.19Å; A201-M203 HydrophobicContact CB-CE 3.43Å; A201-M203 VanDerWaalsContact CB-CE 3.43Å; A201-M203 WeakPolarHBondContact O-CE 3.31Å; A201-M203 PolarHBondContact O-N 3.24Å; M203-F267 HydrophobicContact CE-CD1 4.17Å; M203-F267 HydrophobicContact CG-CB 4.08Å; M203-F267 HydrophobicContact CG-CD1 4.26Å; M203-F267 HydrophobicContact SD-CD1 3.97Å; M203-P268 PolarHBondContact N-O 3.13Å; M203-L269 HydrophobicContact CB-CD2 4.31Å; M203-V303 HydrophobicContact CB-CG2 3.83Å; M203-V303 WeakPolarHBondContact O-CG2 3.28Å
204	V	95.4	Very high	95.2	Very high	7 Å²	7	26 Å²	26	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.2	164.9	-61.5	0	0	0	0	109.6	S170 V171 Y172 I209 I231 I234 A270 M302	S170-V204 PolarHBondContact O-N 2.86Å; S170-V204 VanDerWaalsContact O-N 3.09Å; V171-V204 CarbonylContact C-O 3.59Å; V171-V204 WeakPolarHBondContact CA-O 3.29Å; V171-V204 HydrophobicContact CG2-CG2 4.12Å; Y172-V204 PolarHBondContact N-O 2.75Å; V204-I209 HydrophobicContact CB-CD1 3.97Å; V204-I209 HydrophobicContact CG2-CD1 4.32Å; V204-I231 HydrophobicContact CG2-CD1 4.02Å; V204-I231 HydrophobicContact CG2-CG1 4.38Å; V204-I234 HydrophobicContact CG1-CD1 4.29Å; V204-A270 HydrophobicContact CG1-CB 4.29Å; V204-M302 CarbonylContact C-O 3.59Å; V204-M302 WeakPolarHBondContact CA-O 3.41Å; V204-M302 HydrophobicContact CB-CB 4.38Å; V204-M302 HydrophobicContact CG1-CB 4.05Å
205	D	94.6	Very high	95.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.7	168.3	83.8	55.1	0	0	0	111.7	Y172 A174 E207 A208 I209 M302 V303 K304	Y172-D205 WeakPolarHBondContact O-CB 3.42Å; A174-D205 HydrophobicContact CB-CB 4.35Å; D205-E207 VanDerWaalsContact C-N 3.34Å; D205-E207 PolarHBondContact O-N 2.83Å; D205-E207 WeakPolarHBondContact OD1-CA 3.41Å; D205-E207 PolarHBondContact OD1-N 3.45Å; D205-A208 VanDerWaalsContact OD1-CB 3.3Å; D205-A208 WeakPolarHBondContact OD1-CB 3.17Å; D205-A208 PolarHBondContact OD1-N 3.09Å; D205-I209 WeakPolarHBondContact O-CD1 3.46Å; D205-I209 VanDerWaalsContact O-CG1 3.31Å; D205-I209 WeakPolarHBondContact O-CG1 3.46Å; D205-I209 PolarHBondContact O-N 3.11Å; D205-M302 PolarHBondContact N-O 2.87Å; D205-V303 WeakPolarHBondContact OD2-CA 3.47Å; D205-K304 WeakPolarHBondContact OD2-CB 3.38Å; D205-K304 WeakPolarHBondContact OD2-CG 3.49Å; D205-K304 PolarHBondContact OD2-N 2.71Å
206	N	93.6	Very high	95	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.102	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-36.3	-175.5	-70.5	-33.2	0	0	0	112.3	I209 Y210 L227	N206-I209 PolarHBondContact O-N 3.42Å; N206-Y210 HydrophobicContact CB-CD2 4.19Å; N206-Y210 HydrophobicContact CB-CE2 4.02Å; N206-Y210 WeakPolarHBondContact O-CB 3.46Å; N206-Y210 WeakPolarHBondContact O-CD2 3.28Å; N206-Y210 PolarHBondContact O-N 3.41Å; N206-L227 HydrophobicContact CB-CD2 3.98Å
207	E	94.5	Very high	95	Very high	21 Å²	21	24.5 Å²	24.5	10%	0.098	11%	0.11	C	C	.	.	H	α-helix	trans	-68.9	-43.8	-174.4	-172.2	-173.8	139.4	0	0	112.2	A174 P175 Q176 I177 D205 Y210 D211 K304	A174-E207 HydrophobicContact CB-CB 3.56Å; P175-E207 VanDerWaalsContact CD-OE2 3.29Å; P175-E207 WeakPolarHBondContact CD-OE2 3.39Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.28Å; Q176-E207 PolarHBondContact N-OE2 2.79Å; I177-E207 HydrophobicContact CD1-CB 3.94Å; I177-E207 HydrophobicContact CD1-CG 4.11Å; I177-E207 HydrophobicContact CG1-CB 4.31Å; I177-E207 HydrophobicContact CG1-CG 4.38Å; D205-E207 VanDerWaalsContact C-N 3.34Å; D205-E207 PolarHBondContact O-N 2.83Å; D205-E207 WeakPolarHBondContact OD1-CA 3.41Å; D205-E207 PolarHBondContact OD1-N 3.45Å; E207-Y210 PolarHBondContact O-N 2.79Å; E207-D211 PolarHBondContact O-N 2.76Å; E207-K304 HydrophobicContact CB-CG 4.29Å; E207-K304 HydrophobicContact CG-CG 4.41Å; E207-K304 VanDerWaalsContact OE1-CE 3.31Å; E207-K304 WeakPolarHBondContact OE1-CE 3.32Å
208	A	95.2	Very high	94.7	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-45.7	173.4	0	0	0	0	0	110.8	D205 D211 I212 M302 K304	D205-A208 VanDerWaalsContact OD1-CB 3.3Å; D205-A208 WeakPolarHBondContact OD1-CB 3.17Å; D205-A208 PolarHBondContact OD1-N 3.09Å; A208-D211 PolarHBondContact O-N 2.85Å; A208-I212 WeakPolarHBondContact O-CG1 3.4Å; A208-I212 PolarHBondContact O-N 2.81Å; A208-M302 VanDerWaalsContact CB-C 3.49Å; A208-K304 HydrophobicContact CB-CD 4.24Å; A208-K304 HydrophobicContact CB-CG 4.19Å
209	I	95.8	Very high	94.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-39.3	178.2	-59.8	166.4	0	0	0	111.4	V204 D205 N206 D211 I212 C213 L227 L230 I231 M302	V204-I209 HydrophobicContact CB-CD1 3.97Å; V204-I209 HydrophobicContact CG2-CD1 4.32Å; D205-I209 WeakPolarHBondContact O-CD1 3.46Å; D205-I209 VanDerWaalsContact O-CG1 3.31Å; D205-I209 WeakPolarHBondContact O-CG1 3.46Å; D205-I209 PolarHBondContact O-N 3.11Å; N206-I209 PolarHBondContact O-N 3.42Å; I209-D211 VanDerWaalsContact C-N 3.28Å; I209-D211 PolarHBondContact O-N 2.85Å; I209-I212 PolarHBondContact O-N 3.41Å; I209-C213 PolarHBondContact O-N 3.23Å; I209-C213 PolarHBondContact O-SG 3.38Å; I209-C213 VanDerWaalsContact O-SG 3.35Å; I209-L227 HydrophobicContact CB-CG 3.94Å; I209-L227 HydrophobicContact CG2-CB 4.01Å; I209-L227 HydrophobicContact CG2-CD1 3.97Å; I209-L227 HydrophobicContact CG2-CG 3.53Å; I209-L230 HydrophobicContact CG2-CB 4.43Å; I209-L230 HydrophobicContact CG2-CD2 3.8Å; I209-I231 HydrophobicContact CD1-CD1 3.86Å; I209-I231 HydrophobicContact CD1-CG1 3.77Å; I209-M302 HydrophobicContact CD1-SD 4.28Å; I209-M302 HydrophobicContact CG1-CB 4.19Å; I209-M302 HydrophobicContact CG1-CG 4.4Å; I209-M302 HydrophobicContact CG1-SD 3.95Å
210	Y	95.3	Very high	94.3	Very high	29 Å²	29	33.4 Å²	33.4	11%	0.114	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-45.3	173.2	-85.9	-58.5	0	0	0	111.6	I177 N206 E207 C213 R214 P222 L227	I177-Y210 HydrophobicContact CD1-CD2 3.48Å; I177-Y210 VanDerWaalsContact CD1-CD2 3.48Å; I177-Y210 HydrophobicContact CD1-CE2 3.88Å; I177-Y210 HydrophobicContact CD1-CG 4.45Å; N206-Y210 HydrophobicContact CB-CD2 4.19Å; N206-Y210 HydrophobicContact CB-CE2 4.02Å; N206-Y210 WeakPolarHBondContact O-CB 3.46Å; N206-Y210 WeakPolarHBondContact O-CD2 3.28Å; N206-Y210 PolarHBondContact O-N 3.41Å; E207-Y210 PolarHBondContact O-N 2.79Å; Y210-C213 PolarHBondContact O-N 3.47Å; Y210-R214 WeakPolarHBondContact O-CG 3.42Å; Y210-R214 PolarHBondContact O-N 2.87Å; Y210-P222 HydrophobicContact CD1-CB 3.71Å; Y210-P222 HydrophobicContact CD1-CG 3.92Å; Y210-P222 HydrophobicContact CE1-CB 4Å; Y210-P222 VanDerWaalsContact CE1-O 3.28Å; Y210-P222 WeakPolarHBondContact CE1-O 3.25Å; Y210-L227 HydrophobicContact CD1-CD1 3.64Å; Y210-L227 HydrophobicContact CD1-CD2 4.35Å; Y210-L227 HydrophobicContact CD2-CD2 4.03Å; Y210-L227 HydrophobicContact CE1-CD1 3.62Å; Y210-L227 HydrophobicContact CE1-CD2 3.99Å; Y210-L227 HydrophobicContact CE1-CG 4.49Å; Y210-L227 HydrophobicContact CE2-CD2 3.68Å; Y210-L227 HydrophobicContact CG-CD1 4.13Å; Y210-L227 HydrophobicContact CG-CD2 4.33Å
211	D	95.5	Very high	94.2	Very high	61 Å²	61	42.9 Å²	42.9	33%	0.326	19%	0.189	S	C	.	.	H	α-helix	trans	-68.1	-38.4	179	-75.9	-11.9	0	0	0	112.5	E207 A208 I209 R214 R215 K304	E207-D211 PolarHBondContact O-N 2.76Å; A208-D211 PolarHBondContact O-N 2.85Å; I209-D211 VanDerWaalsContact C-N 3.28Å; I209-D211 PolarHBondContact O-N 2.85Å; D211-R214 PolarHBondContact O-N 2.92Å; D211-R215 WeakPolarHBondContact O-CB 3.37Å; D211-R215 PolarHBondContact O-N 3.32Å; D211-K304 IonicContact OD2-NZ 3.9Å; D211-K304 PolarHBondContact OD2-NZ 2.83Å
212	I	96	Very high	94.1	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-48	172.5	-69.5	166.1	0	0	0	110.2	A208 I209 R214 R215 N216 L230 V275 A299 M302	A208-I212 WeakPolarHBondContact O-CG1 3.4Å; A208-I212 PolarHBondContact O-N 2.81Å; I209-I212 PolarHBondContact O-N 3.41Å; I212-R214 PolarHBondContact O-N 3.43Å; I212-R215 PolarHBondContact O-N 3.14Å; I212-N216 VanDerWaalsContact O-CB 3.27Å; I212-N216 WeakPolarHBondContact O-CB 3.49Å; I212-N216 PolarHBondContact O-N 2.96Å; I212-L230 HydrophobicContact CG2-CD2 3.89Å; I212-V275 HydrophobicContact CG2-CB 4.28Å; I212-V275 HydrophobicContact CG2-CG1 3.9Å; I212-V275 HydrophobicContact CG2-CG2 4.17Å; I212-A299 WeakPolarHBondContact CG1-O 3.3Å; I212-M302 HydrophobicContact CD1-CG 4.04Å
213	C	95.3	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-44.1	178.6	-70	0	0	0	0	112.1	I209 Y210 L217 D218 P222	I209-C213 PolarHBondContact O-N 3.23Å; I209-C213 PolarHBondContact O-SG 3.38Å; I209-C213 VanDerWaalsContact O-SG 3.35Å; Y210-C213 PolarHBondContact O-N 3.47Å; C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 CarbonylContact O-C 3.56Å; C213-L217 WeakPolarHBondContact O-CA 3.09Å; C213-L217 VanDerWaalsContact O-CB 3.24Å; C213-L217 WeakPolarHBondContact O-CB 3.44Å; C213-L217 PolarHBondContact O-N 3.37Å; C213-D218 PolarHBondContact O-N 2.94Å; C213-P222 HydrophobicContact CB-CB 3.75Å; C213-P222 HydrophobicContact CB-CG 3.6Å
214	R	95.1	Very high	94	Very high	129 Å²	129	50.2 Å²	50.2	49%	0.487	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-46.2	177.6	-79.4	175.9	174.8	157.6	5.6	112.5	Y210 D211 I212 I219 E220 P222	Y210-R214 WeakPolarHBondContact O-CG 3.42Å; Y210-R214 PolarHBondContact O-N 2.87Å; D211-R214 PolarHBondContact O-N 2.92Å; I212-R214 PolarHBondContact O-N 3.43Å; R214-I219 WeakPolarHBondContact CA-O 3.09Å; R214-I219 WeakPolarHBondContact CG-O 3.39Å; R214-E220 PolarHBondContact NE-O 3.32Å; R214-E220 VanDerWaalsContact NE-O 3.15Å; R214-P222 HydrophobicContact CG-CG 3.77Å
215	R	94.1	Very high	93.9	Very high	111 Å²	111	53.5 Å²	53.5	42%	0.419	25%	0.247	S	C	.	.	H	α-helix	trans	-78	-41.6	-172.4	-177.1	171.4	51.7	82.7	2.2	112.9	D211 I212 A299 N300	D211-R215 WeakPolarHBondContact O-CB 3.37Å; D211-R215 PolarHBondContact O-N 3.32Å; I212-R215 PolarHBondContact O-N 3.14Å; R215-A299 PolarHBondContact NH2-O 3.46Å; R215-N300 PolarHBondContact NH2-OD1 3.29Å
216	N	93.2	Very high	93.9	Very high	29 Å²	29	54.2 Å²	54.2	16%	0.155	25%	0.25	C	S	.	.	H	α-helix	trans	-101.9	-27.3	-170.3	-65.1	-5.6	0	0	0	113.2	I212 V275	I212-N216 VanDerWaalsContact O-CB 3.27Å; I212-N216 WeakPolarHBondContact O-CB 3.49Å; I212-N216 PolarHBondContact O-N 2.96Å; N216-V275 HydrophobicContact CB-CB 4.18Å; N216-V275 HydrophobicContact CB-CG1 3.93Å; N216-V275 WeakPolarHBondContact CB-O 3.33Å
217	L	92.7	Very high	94	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.063	25%	0.246	C	C	.	.	S	Bend	trans	-103.4	-0.2	-179.8	-52.3	179.6	0	0	0	113.4	C213 I219 V275 I276 D367 L368	C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 CarbonylContact O-C 3.56Å; C213-L217 WeakPolarHBondContact O-CA 3.09Å; C213-L217 VanDerWaalsContact O-CB 3.24Å; C213-L217 WeakPolarHBondContact O-CB 3.44Å; C213-L217 PolarHBondContact O-N 3.37Å; L217-I219 HydrophobicContact CB-CD1 3.74Å; L217-I219 HydrophobicContact CB-CG1 3.92Å; L217-I219 HydrophobicContact CD1-CD1 4.04Å; L217-I219 PolarHBondContact O-N 2.92Å; L217-V275 HydrophobicContact CD1-CG1 4.32Å; L217-V275 HydrophobicContact CD2-CG1 3.62Å; L217-V275 HydrophobicContact CG-CG1 3.91Å; L217-I276 VanDerWaalsContact CD2-C 3.49Å; L217-D367 HydrophobicContact CD1-CB 4.36Å; L217-L368 HydrophobicContact CD1-CD2 4.22Å; L217-L368 HydrophobicContact CD2-CD2 3.9Å
218	D	89.8	Confident	94.1	Very high	86 Å²	86	52.9 Å²	52.9	46%	0.46	24%	0.244	S	C	.	.			trans	56.4	26.1	-177	-50.2	-64.4	0	0	0	113.9	C213 E220 K280	C213-D218 PolarHBondContact O-N 2.94Å; D218-E220 PolarHBondContact O-N 3.49Å; D218-K280 IonicContact OD1-NZ 2.65Å; D218-K280 PolarHBondContact OD1-NZ 2.84Å; D218-K280 WeakPolarHBondContact OD2-CE 3.4Å; D218-K280 IonicContact OD2-NZ 3.76Å; D218-K280 PolarHBondContact OD2-NZ 3.11Å
219	I	91.3	Very high	94.1	Very high	29 Å²	29	55.5 Å²	55.5	15%	0.149	25%	0.253	C	S	.	.			trans	-89.2	105.8	178.9	-56.3	164.1	0	0	0	109.1	R214 L217 R221 P222 N226 D367	R214-I219 WeakPolarHBondContact CA-O 3.09Å; R214-I219 WeakPolarHBondContact CG-O 3.39Å; L217-I219 HydrophobicContact CB-CD1 3.74Å; L217-I219 HydrophobicContact CB-CG1 3.92Å; L217-I219 HydrophobicContact CD1-CD1 4.04Å; L217-I219 PolarHBondContact O-N 2.92Å; I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 3.42Å; I219-P222 HydrophobicContact CB-CG 4.22Å; I219-P222 HydrophobicContact CG2-CB 4.13Å; I219-P222 HydrophobicContact CG2-CG 4.08Å; I219-P222 WeakPolarHBondContact O-CD 3.44Å; I219-N226 HydrophobicContact CD1-CB 4.19Å; I219-D367 HydrophobicContact CD1-CB 3.9Å
220	E	91.2	Very high	94.1	Very high	156 Å²	156	55.5 Å²	55.5	73%	0.729	25%	0.253	S	S	*	.	S	Bend	trans	-57.5	-42.8	-179.2	-169.1	-172.2	160	0	0	112.7	R214 D218	R214-E220 PolarHBondContact NE-O 3.32Å; R214-E220 VanDerWaalsContact NE-O 3.15Å; D218-E220 PolarHBondContact O-N 3.49Å
221	R	92.7	Very high	94.2	Very high	199 Å²	199	54.3 Å²	54.3	75%	0.751	25%	0.249	S	C	*	.	S	Bend	trans	-126.5	81.4	179.5	-61.7	-175.4	-175	-154.4	0.3	110.5	I219	I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 3.42Å
222	P	94.2	Very high	94.2	Very high	12 Å²	12	51.5 Å²	51.5	8%	0.078	23%	0.234	C	C	.	.			trans	-63.1	157.1	176.4	-11.3	24.7	0	0	0	110.3	Y210 C213 R214 I219 N226 L227	Y210-P222 HydrophobicContact CD1-CB 3.71Å; Y210-P222 HydrophobicContact CD1-CG 3.92Å; Y210-P222 HydrophobicContact CE1-CB 4Å; Y210-P222 VanDerWaalsContact CE1-O 3.28Å; Y210-P222 WeakPolarHBondContact CE1-O 3.25Å; C213-P222 HydrophobicContact CB-CB 3.75Å; C213-P222 HydrophobicContact CB-CG 3.6Å; R214-P222 HydrophobicContact CG-CG 3.77Å; I219-P222 HydrophobicContact CB-CG 4.22Å; I219-P222 HydrophobicContact CG2-CB 4.13Å; I219-P222 HydrophobicContact CG2-CG 4.08Å; I219-P222 WeakPolarHBondContact O-CD 3.44Å; P222-N226 HydrophobicContact CB-CB 4.3Å; P222-L227 HydrophobicContact CB-CD1 4.13Å
223	T	94.2	Very high	94.3	Very high	69 Å²	69	51.7 Å²	51.7	42%	0.423	24%	0.235	S	C	.	.			trans	-122.5	167.9	179	64.8	0	0	0	0	109.4	T225 N226 L227	T223-T225 PolarHBondContact O-N 3.05Å; T223-T225 VanDerWaalsContact O-N 3.12Å; T223-T225 PolarHBondContact OG1-N 2.86Å; T223-N226 PolarHBondContact N-OD1 3.34Å; T223-N226 WeakPolarHBondContact O-CB 3.42Å; T223-N226 PolarHBondContact O-N 3.02Å; T223-N226 PolarHBondContact OG1-OD1 3.43Å; T223-L227 WeakPolarHBondContact O-CD1 3.34Å; T223-L227 PolarHBondContact O-N 2.97Å; T223-L227 VanDerWaalsContact O-N 3.17Å
224	Y	93.7	Very high	94.3	Very high	77 Å²	77	51.9 Å²	51.9	30%	0.302	24%	0.236	S	C	.	.	H	α-helix	trans	-56	-29.1	174.6	-70.1	-61.8	0	0	0	112.9	N226 L227 N228	Y224-N226 VanDerWaalsContact C-N 3.33Å; Y224-N226 PolarHBondContact O-N 2.62Å; Y224-L227 HydrophobicContact CD1-CD2 4.07Å; Y224-L227 HydrophobicContact CE1-CD2 4.39Å; Y224-L227 PolarHBondContact O-N 3.2Å; Y224-N228 VanDerWaalsContact O-CB 3.25Å; Y224-N228 WeakPolarHBondContact O-CB 3.33Å; Y224-N228 PolarHBondContact O-N 3.3Å; Y224-N228 PolarHBondContact O-ND2 2.92Å; Y224-N228 VanDerWaalsContact O-ND2 3.13Å
225	T	94.6	Very high	94.3	Very high	77 Å²	77	45.7 Å²	45.7	47%	0.472	21%	0.212	S	C	.	.	H	α-helix	trans	-59.8	-42.1	172.6	-54.6	0	0	0	0	112.1	T223 R229	T223-T225 PolarHBondContact O-N 3.05Å; T223-T225 VanDerWaalsContact O-N 3.12Å; T223-T225 PolarHBondContact OG1-N 2.86Å; T225-R229 WeakPolarHBondContact O-CB 3.11Å; T225-R229 VanDerWaalsContact O-CG 3.26Å; T225-R229 WeakPolarHBondContact O-CG 3.08Å; T225-R229 PolarHBondContact O-N 3.05Å; T225-R229 VanDerWaalsContact O-N 3.14Å
226	N	94.7	Very high	94.4	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.08	19%	0.193	C	C	.	.	H	α-helix	trans	-70	-43.5	179	-50.2	110.1	0	0	0	110.8	I219 P222 T223 Y224 R229 L230 D367	I219-N226 HydrophobicContact CD1-CB 4.19Å; P222-N226 HydrophobicContact CB-CB 4.3Å; T223-N226 PolarHBondContact N-OD1 3.34Å; T223-N226 WeakPolarHBondContact O-CB 3.42Å; T223-N226 PolarHBondContact O-N 3.02Å; T223-N226 PolarHBondContact OG1-OD1 3.43Å; Y224-N226 VanDerWaalsContact C-N 3.33Å; Y224-N226 PolarHBondContact O-N 2.62Å; N226-R229 PolarHBondContact O-N 3.42Å; N226-L230 PolarHBondContact O-N 2.76Å; N226-D367 PolarHBondContact ND2-OD1 3.49Å; N226-D367 PolarHBondContact ND2-OD2 2.8Å
227	L	95.5	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-52.3	176.8	-86.5	52.8	0	0	0	111	N206 I209 Y210 P222 T223 Y224 R229 L230 I231	N206-L227 HydrophobicContact CB-CD2 3.98Å; I209-L227 HydrophobicContact CB-CG 3.94Å; I209-L227 HydrophobicContact CG2-CB 4.01Å; I209-L227 HydrophobicContact CG2-CD1 3.97Å; I209-L227 HydrophobicContact CG2-CG 3.53Å; Y210-L227 HydrophobicContact CD1-CD1 3.64Å; Y210-L227 HydrophobicContact CD1-CD2 4.35Å; Y210-L227 HydrophobicContact CD2-CD2 4.03Å; Y210-L227 HydrophobicContact CE1-CD1 3.62Å; Y210-L227 HydrophobicContact CE1-CD2 3.99Å; Y210-L227 HydrophobicContact CE1-CG 4.49Å; Y210-L227 HydrophobicContact CE2-CD2 3.68Å; Y210-L227 HydrophobicContact CG-CD1 4.13Å; Y210-L227 HydrophobicContact CG-CD2 4.33Å; P222-L227 HydrophobicContact CB-CD1 4.13Å; T223-L227 WeakPolarHBondContact O-CD1 3.34Å; T223-L227 PolarHBondContact O-N 2.97Å; T223-L227 VanDerWaalsContact O-N 3.17Å; Y224-L227 HydrophobicContact CD1-CD2 4.07Å; Y224-L227 HydrophobicContact CE1-CD2 4.39Å; Y224-L227 PolarHBondContact O-N 3.2Å; L227-R229 VanDerWaalsContact C-N 3.28Å; L227-R229 PolarHBondContact O-N 3.4Å; L227-L230 WeakPolarHBondContact O-CB 3.3Å; L227-L230 PolarHBondContact O-N 2.9Å; L227-I231 WeakPolarHBondContact O-CG1 3.2Å; L227-I231 PolarHBondContact O-N 3.27Å
228	N	96.1	Very high	94.5	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-29.4	-177.2	-67.5	-24.9	0	0	0	112.6	Q15 M16 A19 Y224 G232	Q15-N228 WeakPolarHBondContact CB-ND2 3.22Å; M16-N228 WeakPolarHBondContact CG-OD1 3.44Å; A19-N228 HydrophobicContact CB-CB 3.77Å; Y224-N228 VanDerWaalsContact O-CB 3.25Å; Y224-N228 WeakPolarHBondContact O-CB 3.33Å; Y224-N228 PolarHBondContact O-N 3.3Å; Y224-N228 PolarHBondContact O-ND2 2.92Å; Y224-N228 VanDerWaalsContact O-ND2 3.13Å; N228-G232 PolarHBondContact O-N 3.27Å
229	R	95.4	Very high	94.6	Very high	60 Å²	60	34.6 Å²	34.6	23%	0.226	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-38.7	171.1	-79.8	174	176.6	153.1	1.8	112.4	T225 N226 L227 G232 Q233 D367	T225-R229 WeakPolarHBondContact O-CB 3.11Å; T225-R229 VanDerWaalsContact O-CG 3.26Å; T225-R229 WeakPolarHBondContact O-CG 3.08Å; T225-R229 PolarHBondContact O-N 3.05Å; T225-R229 VanDerWaalsContact O-N 3.14Å; N226-R229 PolarHBondContact O-N 3.42Å; L227-R229 VanDerWaalsContact C-N 3.28Å; L227-R229 PolarHBondContact O-N 3.4Å; R229-G232 PolarHBondContact O-N 3.14Å; R229-Q233 PolarHBondContact O-N 3.2Å; R229-D367 IonicContact NH1-OD2 3.79Å; R229-D367 PolarHBondContact NH1-OD2 2.94Å
230	L	95.8	Very high	94.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-70.5	-42.9	175.9	-173.5	64.2	0	0	0	111.3	I209 I212 N226 L227 G232 Q233 I234 Y272 V275 M302 L368	I209-L230 HydrophobicContact CG2-CB 4.43Å; I209-L230 HydrophobicContact CG2-CD2 3.8Å; I212-L230 HydrophobicContact CG2-CD2 3.89Å; N226-L230 PolarHBondContact O-N 2.76Å; L227-L230 WeakPolarHBondContact O-CB 3.3Å; L227-L230 PolarHBondContact O-N 2.9Å; L230-G232 VanDerWaalsContact C-N 3.25Å; L230-G232 PolarHBondContact O-N 3.38Å; L230-Q233 WeakPolarHBondContact O-CB 3.48Å; L230-Q233 PolarHBondContact O-N 3.01Å; L230-I234 PolarHBondContact O-N 3.01Å; L230-Y272 HydrophobicContact CD1-CD1 4.25Å; L230-V275 HydrophobicContact CD1-CG1 4.36Å; L230-V275 HydrophobicContact CD1-CG2 3.82Å; L230-M302 HydrophobicContact CD1-CE 4.1Å; L230-M302 HydrophobicContact CD2-CE 3.6Å; L230-M302 HydrophobicContact CD2-SD 3.91Å; L230-M302 HydrophobicContact CG-CE 3.66Å; L230-M302 HydrophobicContact CG-SD 4.19Å; L230-L368 HydrophobicContact CD1-CD2 4.49Å
231	I	96.6	Very high	94.5	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-41.8	172.7	-64.6	169	0	0	0	110.1	M16 V204 I209 L227 Q233 I234 V235	M16-I231 HydrophobicContact CG-CD1 4.16Å; M16-I231 HydrophobicContact CG-CG2 4.34Å; M16-I231 HydrophobicContact SD-CD1 3.92Å; M16-I231 HydrophobicContact SD-CG2 3.98Å; V204-I231 HydrophobicContact CG2-CD1 4.02Å; V204-I231 HydrophobicContact CG2-CG1 4.38Å; I209-I231 HydrophobicContact CD1-CD1 3.86Å; I209-I231 HydrophobicContact CD1-CG1 3.77Å; L227-I231 WeakPolarHBondContact O-CG1 3.2Å; L227-I231 PolarHBondContact O-N 3.27Å; I231-Q233 PolarHBondContact O-N 2.91Å; I231-I234 WeakPolarHBondContact O-CB 3.44Å; I231-I234 PolarHBondContact O-N 3.05Å; I231-V235 HydrophobicContact CG2-CG2 3.97Å; I231-V235 VanDerWaalsContact O-CG2 3.26Å; I231-V235 WeakPolarHBondContact O-CG2 3.43Å; I231-V235 PolarHBondContact O-N 2.98Å
232	G	96.6	Very high	94.3	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-55.1	-35.7	174.7	0	0	0	0	0	113.5	L23 N228 R229 L230 S236	L23-G232 WeakPolarHBondContact CD2-O 3.49Å; N228-G232 PolarHBondContact O-N 3.27Å; R229-G232 PolarHBondContact O-N 3.14Å; L230-G232 VanDerWaalsContact C-N 3.25Å; L230-G232 PolarHBondContact O-N 3.38Å; G232-S236 VanDerWaalsContact O-CB 3.24Å; G232-S236 WeakPolarHBondContact O-CB 3.5Å; G232-S236 PolarHBondContact O-N 3.47Å
233	Q	96.7	Very high	94.1	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-68.2	-38.8	175	-64.4	-59.4	-35.2	0	0	112.9	R229 L230 I231 S237 Y272 T361 L368	R229-Q233 PolarHBondContact O-N 3.2Å; L230-Q233 WeakPolarHBondContact O-CB 3.48Å; L230-Q233 PolarHBondContact O-N 3.01Å; I231-Q233 PolarHBondContact O-N 2.91Å; Q233-S237 WeakPolarHBondContact O-CB 3.4Å; Q233-S237 PolarHBondContact O-N 3.02Å; Q233-S237 PolarHBondContact O-OG 3.46Å; Q233-Y272 HydrophobicContact CB-CD2 4.15Å; Q233-Y272 HydrophobicContact CB-CE1 4.19Å; Q233-Y272 HydrophobicContact CB-CE2 3.74Å; Q233-Y272 PolarHBondContact OE1-OH 3.24Å; Q233-T361 PolarHBondContact NE2-O 2.91Å; Q233-L368 HydrophobicContact CG-CD1 3.75Å
234	I	95.8	Very high	93.8	Very high	3 Å²	3	15 Å²	15	2%	0.015	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-52.3	174	-68.9	164	0	0	0	109.8	V204 L230 I231 S236 S237 I238 A270 M302	V204-I234 HydrophobicContact CG1-CD1 4.29Å; L230-I234 PolarHBondContact O-N 3.01Å; I231-I234 WeakPolarHBondContact O-CB 3.44Å; I231-I234 PolarHBondContact O-N 3.05Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 3.48Å; I234-S237 WeakPolarHBondContact O-CA 3.43Å; I234-S237 WeakPolarHBondContact O-CB 3.37Å; I234-S237 PolarHBondContact O-N 3.21Å; I234-I238 HydrophobicContact CG2-CD1 3.54Å; I234-I238 HydrophobicContact CG2-CG1 4.41Å; I234-I238 WeakPolarHBondContact O-CG1 3.38Å; I234-I238 PolarHBondContact O-N 2.86Å; I234-A270 HydrophobicContact CD1-CB 3.71Å; I234-A270 HydrophobicContact CG1-CB 4.36Å; I234-A270 HydrophobicContact CG2-CB 4.03Å; I234-M302 HydrophobicContact CD1-CE 3.32Å; I234-M302 HydrophobicContact CD1-CG 4.28Å; I234-M302 HydrophobicContact CD1-SD 3.15Å; I234-M302 WeakPolarHBondContact CD1-SD 3.5Å; I234-M302 HydrophobicContact CG1-CE 3.86Å; I234-M302 HydrophobicContact CG1-SD 4.31Å
235	V	96	Very high	93.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-45.9	-178.4	177.5	0	0	0	0	110.1	C20 Y24 F138 F169 I231 S237 I238 T239	C20-V235 HydrophobicContact CB-CG1 4.46Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.03Å; F138-V235 HydrophobicContact CE1-CB 4.48Å; F138-V235 HydrophobicContact CE1-CG1 3.85Å; F138-V235 HydrophobicContact CE1-CG2 3.76Å; F138-V235 HydrophobicContact CZ-CG1 3.74Å; F138-V235 HydrophobicContact CZ-CG2 4.45Å; F169-V235 HydrophobicContact CD1-CG2 3.6Å; F169-V235 HydrophobicContact CE1-CB 4.2Å; F169-V235 HydrophobicContact CE1-CG1 4.3Å; F169-V235 HydrophobicContact CE1-CG2 3.66Å; F169-V235 HydrophobicContact CG-CG2 4.19Å; F169-V235 HydrophobicContact CZ-CG1 4.19Å; F169-V235 HydrophobicContact CZ-CG2 4.34Å; I231-V235 HydrophobicContact CG2-CG2 3.97Å; I231-V235 VanDerWaalsContact O-CG2 3.26Å; I231-V235 WeakPolarHBondContact O-CG2 3.43Å; I231-V235 PolarHBondContact O-N 2.98Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 3.06Å; V235-I238 PolarHBondContact O-N 2.79Å; V235-T239 WeakPolarHBondContact O-CG2 3.11Å; V235-T239 PolarHBondContact O-N 3.26Å; V235-T239 PolarHBondContact O-OG1 3.06Å; V235-T239 VanDerWaalsContact O-OG1 3.07Å
236	S	95.1	Very high	92.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-39.1	174.4	171.4	0	0	0	0	112.5	E27 G232 I234 T239 A240 R243 R320	E27-S236 VanDerWaalsContact CD-OG 3.24Å; E27-S236 PolarHBondContact OE1-OG 2.8Å; E27-S236 PolarHBondContact OE2-OG 2.76Å; E27-S236 VanDerWaalsContact OE2-OG 3.08Å; G232-S236 VanDerWaalsContact O-CB 3.24Å; G232-S236 WeakPolarHBondContact O-CB 3.5Å; G232-S236 PolarHBondContact O-N 3.47Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 3.48Å; S236-T239 PolarHBondContact O-N 3.25Å; S236-T239 PolarHBondContact O-OG1 3.04Å; S236-A240 WeakPolarHBondContact O-CA 3.29Å; S236-A240 WeakPolarHBondContact O-CB 3.39Å; S236-A240 PolarHBondContact O-N 3.31Å; S236-R243 PolarHBondContact O-NH2 3.13Å; S236-R243 PolarHBondContact OG-NH2 2.96Å; S236-R320 PolarHBondContact O-NH1 3.47Å; S236-R320 PolarHBondContact OG-NH1 3.02Å
237	S	94.8	Very high	91.8	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.028	9%	0.087	C	C	.	.	H	α-helix	trans	-67.4	-40.3	178.4	-59.3	0	0	0	0	112.3	Q233 I234 V235 A240 C376	Q233-S237 WeakPolarHBondContact O-CB 3.4Å; Q233-S237 PolarHBondContact O-N 3.02Å; Q233-S237 PolarHBondContact O-OG 3.46Å; I234-S237 WeakPolarHBondContact O-CA 3.43Å; I234-S237 WeakPolarHBondContact O-CB 3.37Å; I234-S237 PolarHBondContact O-N 3.21Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 3.06Å; S237-A240 WeakPolarHBondContact O-CB 3.47Å; S237-A240 PolarHBondContact O-N 3.13Å; S237-C376 VanDerWaalsContact CB-CB 3.42Å
238	I	93.3	Very high	91	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.4	-41.7	176.3	-70.4	162.5	0	0	0	111.4	F169 F202 I234 V235 F255 L318 L378	F169-I238 HydrophobicContact CE1-CD1 3.52Å; F169-I238 HydrophobicContact CZ-CB 4.44Å; F169-I238 HydrophobicContact CZ-CD1 4.13Å; F169-I238 HydrophobicContact CZ-CG2 4.07Å; F202-I238 HydrophobicContact CD2-CD1 4.01Å; F202-I238 HydrophobicContact CE2-CD1 4.12Å; F202-I238 HydrophobicContact CE2-CG2 4.14Å; F202-I238 HydrophobicContact CG-CD1 4.2Å; F202-I238 HydrophobicContact CZ-CD1 4.43Å; F202-I238 HydrophobicContact CZ-CG2 4.44Å; I234-I238 HydrophobicContact CG2-CD1 3.54Å; I234-I238 HydrophobicContact CG2-CG1 4.41Å; I234-I238 WeakPolarHBondContact O-CG1 3.38Å; I234-I238 PolarHBondContact O-N 2.86Å; V235-I238 PolarHBondContact O-N 2.79Å; I238-F255 HydrophobicContact CG2-CE2 3.75Å; I238-F255 HydrophobicContact CG2-CZ 3.85Å; I238-L318 HydrophobicContact CB-CD1 4.37Å; I238-L318 HydrophobicContact CG1-CD1 3.8Å; I238-L378 HydrophobicContact CD1-CD1 3.87Å; I238-L378 HydrophobicContact CD1-CD2 3.82Å; I238-L378 HydrophobicContact CD1-CG 4.4Å; I238-L378 HydrophobicContact CG1-CD1 3.66Å; I238-L378 HydrophobicContact CG1-CD2 4.24Å; I238-L378 HydrophobicContact CG1-CG 4.36Å
239	T	92.8	Very high	89.9	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-88.6	-3.7	-177.9	65.3	0	0	0	0	113.8	Y24 F52 L136 V235 S236 S241 L242 R243	Y24-T239 VanDerWaalsContact OH-CG2 3.32Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.36Å; Y24-T239 PolarHBondContact OH-OG1 3.19Å; F52-T239 HydrophobicContact CE1-CG2 4.47Å; F52-T239 HydrophobicContact CE2-CG2 4.33Å; F52-T239 HydrophobicContact CZ-CG2 3.68Å; L136-T239 HydrophobicContact CD1-CG2 3.69Å; V235-T239 WeakPolarHBondContact O-CG2 3.11Å; V235-T239 PolarHBondContact O-N 3.26Å; V235-T239 PolarHBondContact O-OG1 3.06Å; V235-T239 VanDerWaalsContact O-OG1 3.07Å; S236-T239 PolarHBondContact O-N 3.25Å; S236-T239 PolarHBondContact O-OG1 3.04Å; T239-S241 VanDerWaalsContact C-N 3.34Å; T239-S241 PolarHBondContact O-N 3.49Å; T239-L242 WeakPolarHBondContact O-CB 3.48Å; T239-L242 PolarHBondContact O-N 2.84Å; T239-L242 VanDerWaalsContact O-N 3.12Å; T239-R243 WeakPolarHBondContact O-CG 3.31Å; T239-R243 PolarHBondContact O-N 2.71Å; T239-R243 PolarHBondContact O-NE 2.76Å; T239-R243 PolarHBondContact OG1-NE 3.33Å; T239-R243 PolarHBondContact OG1-NH2 3.15Å
240	A	92.2	Very high	89	Confident	2 Å²	2	19.4 Å²	19.4	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-43.8	-175.2	0	0	0	0	0	112.4	S236 S237 L242 R243 F244 N356	S236-A240 WeakPolarHBondContact O-CA 3.29Å; S236-A240 WeakPolarHBondContact O-CB 3.39Å; S236-A240 PolarHBondContact O-N 3.31Å; S237-A240 WeakPolarHBondContact O-CB 3.47Å; S237-A240 PolarHBondContact O-N 3.13Å; A240-L242 PolarHBondContact O-N 2.84Å; A240-R243 CarbonylContact O-C 3.6Å; A240-R243 PolarHBondContact O-N 2.78Å; A240-F244 PolarHBondContact O-N 3.44Å; A240-N356 HydrophobicContact CB-CB 4.15Å; A240-N356 PolarHBondContact O-ND2 3.48Å
241	S	88.6	Confident	88.3	Confident	14 Å²	14	21.4 Å²	21.4	10%	0.098	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-15	-179.6	51.4	0	0	0	0	114.1	T239 V250	T239-S241 VanDerWaalsContact C-N 3.34Å; T239-S241 PolarHBondContact O-N 3.49Å; S241-V250 VanDerWaalsContact CB-O 3.26Å; S241-V250 WeakPolarHBondContact CB-O 3.41Å; S241-V250 PolarHBondContact OG-O 3.22Å
242	L	87.9	Confident	87.7	Confident	12 Å²	12	21.3 Å²	21.3	6%	0.063	12%	0.122	C	C	.	.	H	α-helix	trans	-91.3	-15.1	174.1	-54.8	175.5	0	0	0	112.5	T51 F52 T239 A240 L252	T51-L242 HydrophobicContact CG2-CB 3.75Å; T51-L242 WeakPolarHBondContact CG2-O 3.48Å; T51-L242 PolarHBondContact OG1-O 3.49Å; F52-L242 HydrophobicContact CE2-CB 4.47Å; F52-L242 HydrophobicContact CZ-CD1 4.38Å; T239-L242 WeakPolarHBondContact O-CB 3.48Å; T239-L242 PolarHBondContact O-N 2.84Å; T239-L242 VanDerWaalsContact O-N 3.12Å; A240-L242 PolarHBondContact O-N 2.84Å; L242-L252 HydrophobicContact CD1-CD1 4.32Å; L242-L252 HydrophobicContact CD1-CD2 3.72Å; L242-L252 HydrophobicContact CD1-CG 3.82Å
243	R	89.6	Confident	87.1	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-123.1	-13.8	-169.9	-63.2	-177.4	-60.5	121.9	-5.5	114	E27 H28 S48 T51 F52 S236 T239 A240	E27-R243 IonicContact OE1-NH2 3.12Å; E27-R243 IonicContact OE2-CZ 2.61Å; E27-R243 IonicContact OE2-NH1 3Å; E27-R243 PolarHBondContact OE2-NH1 2.82Å; E27-R243 IonicContact OE2-NH2 2.69Å; E27-R243 PolarHBondContact OE2-NH2 2.91Å; H28-R243 PolarHBondContact NE2-NH1 2.96Å; H28-R243 VanDerWaalsContact NE2-NH1 3.16Å; S48-R243 WeakPolarHBondContact CB-O 3.33Å; S48-R243 PolarHBondContact OG-O 2.86Å; T51-R243 HydrophobicContact CG2-CG 4.28Å; F52-R243 HydrophobicContact CD2-CG 3.5Å; F52-R243 VanDerWaalsContact CD2-CG 3.5Å; F52-R243 VanDerWaalsContact CE2-CD 3.44Å; F52-R243 HydrophobicContact CE2-CG 3.48Å; F52-R243 VanDerWaalsContact CE2-CG 3.48Å; S236-R243 PolarHBondContact O-NH2 3.13Å; S236-R243 PolarHBondContact OG-NH2 2.96Å; T239-R243 WeakPolarHBondContact O-CG 3.31Å; T239-R243 PolarHBondContact O-N 2.71Å; T239-R243 PolarHBondContact O-NE 2.76Å; T239-R243 PolarHBondContact OG1-NE 3.33Å; T239-R243 PolarHBondContact OG1-NH2 3.15Å; A240-R243 CarbonylContact O-C 3.6Å; A240-R243 PolarHBondContact O-N 2.78Å
244	F	88.5	Confident	86.7	Confident	23 Å²	23	26.3 Å²	26.3	10%	0.101	15%	0.15	C	C	.	.	S	Bend	trans	-145.9	149.4	-178.4	-57.8	-63.8	0	0	0	109.4	E27 H28 A240 N356 Q358	E27-F244 HydrophobicContact CB-CE2 4.38Å; E27-F244 HydrophobicContact CB-CZ 3.92Å; H28-F244 AromaticContact CE1-CE1 3.46Å; H28-F244 VanDerWaalsContact CE1-CE1 3.46Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.27Å; H28-F244 AromaticContact CE1-CZ 3.42Å; H28-F244 VanDerWaalsContact CE1-CZ 3.42Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.37Å; H28-F244 AromaticContact ND1-CE1 3.74Å; H28-F244 AromaticContact ND1-CZ 3.89Å; H28-F244 AromaticContact NE2-CZ 3.76Å; A240-F244 PolarHBondContact O-N 3.44Å; F244-N356 WeakPolarHBondContact CB-ND2 3.38Å; F244-N356 WeakPolarHBondContact CB-OD1 3.44Å; F244-N356 PolarHBondContact O-ND2 2.93Å; F244-N356 VanDerWaalsContact O-ND2 3.14Å; F244-Q358 HydrophobicContact CB-CB 4.41Å; F244-Q358 HydrophobicContact CD2-CB 4.19Å; F244-Q358 HydrophobicContact CD2-CG 4.34Å; F244-Q358 HydrophobicContact CE2-CG 4.37Å; F244-Q358 HydrophobicContact CG-CB 4.16Å; F244-Q358 HydrophobicContact CG-CG 4.47Å
245	D	82.3	Confident	86.3	Confident	134 Å²	134	26.2 Å²	26.2	72%	0.717	15%	0.149	S	C	*	.			trans	-64.4	147.4	174	-72.7	-29.8	0	0	0	111.7	N356	D245-N356 PolarHBondContact O-ND2 3.13Å
246	G	81.4	Confident	86	Confident	21 Å²	21	29.3 Å²	29.3	22%	0.216	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	170.9	-175.3	0	0	0	0	0	111.6	N249 I355	G246-N249 WeakPolarHBondContact CA-OD1 3.36Å; G246-I355 CarbonylContact C-O 3.44Å; G246-I355 WeakPolarHBondContact CA-O 2.93Å
247	A	77.8	Confident	85.7	Confident	23 Å²	23	33.7 Å²	33.7	19%	0.19	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.9	166.8	0	0	0	0	0	109.2	N249 I355 Y357	A247-N249 VanDerWaalsContact C-N 3.31Å; A247-N249 PolarHBondContact O-N 2.84Å; A247-I355 HydrophobicContact CB-CB 4.45Å; A247-I355 PolarHBondContact N-O 2.87Å; A247-I355 PolarHBondContact O-N 3.11Å; A247-Y357 WeakPolarHBondContact CB-OH 3.39Å
248	L	76.7	Confident	85.4	Confident	102 Å²	102	36 Å²	36	53%	0.534	20%	0.203	S	C	.	.	S	Bend	trans	59.4	40.8	178.6	-49	168.3	0	0	0	112.5	V250 V353 G354	L248-V250 PolarHBondContact O-N 3.39Å; L248-V353 WeakPolarHBondContact CB-O 3.3Å; L248-V353 HydrophobicContact CD1-CB 4.2Å; L248-V353 HydrophobicContact CD1-CG1 4.02Å; L248-G354 WeakPolarHBondContact O-CA 3.44Å
249	N	74.5	Confident	85.4	Confident	55 Å²	55	36 Å²	36	29%	0.294	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-54.8	129.2	178.9	-77.1	-17.6	0	0	0	111.2	G246 A247	G246-N249 WeakPolarHBondContact CA-OD1 3.36Å; A247-N249 VanDerWaalsContact C-N 3.31Å; A247-N249 PolarHBondContact O-N 2.84Å
250	V	76.3	Confident	85.4	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-95.7	128.2	177.5	-176.2	0	0	0	0	108.1	S241 L248 E254 F255 L318 K352	S241-V250 VanDerWaalsContact CB-O 3.26Å; S241-V250 WeakPolarHBondContact CB-O 3.41Å; S241-V250 PolarHBondContact OG-O 3.22Å; L248-V250 PolarHBondContact O-N 3.39Å; V250-E254 HydrophobicContact CG1-CB 3.68Å; V250-F255 HydrophobicContact CB-CZ 4.36Å; V250-F255 HydrophobicContact CG1-CD1 4.1Å; V250-F255 HydrophobicContact CG1-CD2 4.43Å; V250-F255 HydrophobicContact CG1-CE1 3.82Å; V250-F255 HydrophobicContact CG1-CE2 4.16Å; V250-F255 HydrophobicContact CG1-CG 4.39Å; V250-F255 HydrophobicContact CG1-CZ 3.84Å; V250-L318 HydrophobicContact CG2-CD2 4.15Å; V250-K352 HydrophobicContact CG2-CG 4.47Å
251	D	80.7	Confident	85.3	Confident	42 Å²	42	39.1 Å²	39.1	23%	0.225	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-89	173	171.2	74.4	27.2	0	0	0	112.4	T253 E254 F255	D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.24Å; D251-T253 PolarHBondContact OD1-N 3.18Å; D251-E254 WeakPolarHBondContact O-CB 3.34Å; D251-E254 PolarHBondContact O-N 2.78Å; D251-E254 WeakPolarHBondContact OD1-CB 3.17Å; D251-E254 WeakPolarHBondContact OD1-CG 3.29Å; D251-E254 PolarHBondContact OD1-N 2.76Å; D251-F255 PolarHBondContact O-N 2.8Å
252	L	83.6	Confident	85.5	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-38.2	-178.3	-67.5	-179.1	0	0	0	112.9	C4 Q133 L136 L167 L242 E254 F255	C4-L252 WeakPolarHBondContact SG-CD1 3.46Å; Q133-L252 HydrophobicContact CB-CD1 3.97Å; L136-L252 HydrophobicContact CD2-CD2 4.07Å; L167-L252 HydrophobicContact CD1-CB 4.34Å; L167-L252 HydrophobicContact CD1-CD2 3.43Å; L167-L252 VanDerWaalsContact CD1-CD2 3.43Å; L167-L252 HydrophobicContact CD1-CG 4.4Å; L167-L252 HydrophobicContact CG-CD2 4.39Å; L242-L252 HydrophobicContact CD1-CD1 4.32Å; L242-L252 HydrophobicContact CD1-CD2 3.72Å; L242-L252 HydrophobicContact CD1-CG 3.82Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-F255 PolarHBondContact O-N 3Å
253	T	84.9	Confident	85.7	Confident	68 Å²	68	49.5 Å²	49.5	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-70.5	-30.3	179.5	-54.1	0	0	0	0	111.1	D251 F255 Q256 T257	D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.24Å; D251-T253 PolarHBondContact OD1-N 3.18Å; T253-F255 VanDerWaalsContact C-N 3.27Å; T253-F255 PolarHBondContact O-N 2.91Å; T253-Q256 WeakPolarHBondContact O-CB 3.46Å; T253-Q256 PolarHBondContact O-N 2.85Å; T253-T257 HydrophobicContact CG2-CG2 4.32Å; T253-T257 WeakPolarHBondContact O-CG2 3.33Å; T253-T257 PolarHBondContact O-N 3.46Å
254	E	87.2	Confident	85.9	Confident	46 Å²	46	52.8 Å²	52.8	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-32.2	175.8	-83.3	-171.2	-132.2	0	0	111.7	V250 D251 L252 T257 N258 K352	V250-E254 HydrophobicContact CG1-CB 3.68Å; D251-E254 WeakPolarHBondContact O-CB 3.34Å; D251-E254 PolarHBondContact O-N 2.78Å; D251-E254 WeakPolarHBondContact OD1-CB 3.17Å; D251-E254 WeakPolarHBondContact OD1-CG 3.29Å; D251-E254 PolarHBondContact OD1-N 2.76Å; L252-E254 VanDerWaalsContact C-N 3.29Å; E254-T257 WeakPolarHBondContact CA-OG1 3.39Å; E254-T257 PolarHBondContact O-N 2.81Å; E254-T257 PolarHBondContact O-OG1 2.92Å; E254-T257 VanDerWaalsContact O-OG1 3.05Å; E254-N258 WeakPolarHBondContact O-CB 3.21Å; E254-N258 VanDerWaalsContact O-CG 3.25Å; E254-N258 PolarHBondContact O-N 3.13Å; E254-N258 PolarHBondContact O-ND2 2.85Å; E254-K352 WeakPolarHBondContact OE2-CE 3.09Å; E254-K352 IonicContact OE2-NZ 3.67Å; E254-K352 PolarHBondContact OE2-NZ 2.9Å
255	F	89	Confident	86.2	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-46.8	173.4	-70.4	-61.8	0	0	0	111.5	L167 F202 I238 V250 D251 L252 T253 L259 L318 L378	L167-F255 HydrophobicContact CD1-CD2 4.07Å; F202-F255 HydrophobicContact CZ-CB 4.35Å; F202-F255 HydrophobicContact CZ-CD1 4.37Å; F202-F255 HydrophobicContact CZ-CD2 4.48Å; F202-F255 HydrophobicContact CZ-CG 4.16Å; I238-F255 HydrophobicContact CG2-CE2 3.75Å; I238-F255 HydrophobicContact CG2-CZ 3.85Å; V250-F255 HydrophobicContact CB-CZ 4.36Å; V250-F255 HydrophobicContact CG1-CD1 4.1Å; V250-F255 HydrophobicContact CG1-CD2 4.43Å; V250-F255 HydrophobicContact CG1-CE1 3.82Å; V250-F255 HydrophobicContact CG1-CE2 4.16Å; V250-F255 HydrophobicContact CG1-CG 4.39Å; V250-F255 HydrophobicContact CG1-CZ 3.84Å; D251-F255 PolarHBondContact O-N 2.8Å; L252-F255 PolarHBondContact O-N 3Å; T253-F255 VanDerWaalsContact C-N 3.27Å; T253-F255 PolarHBondContact O-N 2.91Å; F255-L259 HydrophobicContact CB-CD1 4.36Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 WeakPolarHBondContact O-CB 3.37Å; F255-L259 PolarHBondContact O-N 3.42Å; F255-L318 HydrophobicContact CE1-CD1 4.08Å; F255-L318 HydrophobicContact CE1-CD2 4.28Å; F255-L318 HydrophobicContact CZ-CD1 4.09Å; F255-L318 HydrophobicContact CZ-CD2 4.4Å; F255-L378 HydrophobicContact CD1-CD1 3.94Å; F255-L378 HydrophobicContact CE1-CD1 3.66Å; F255-L378 HydrophobicContact CZ-CD1 4.45Å
256	Q	88.3	Confident	86.8	Confident	64 Å²	64	45.5 Å²	45.5	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-58.6	-54.7	174.6	-176.2	179.5	28.4	0	0	110.6	D199 T253 N258 V260	D199-Q256 HydrophobicContact CB-CG 4.45Å; D199-Q256 PolarHBondContact OD1-NE2 3.34Å; T253-Q256 WeakPolarHBondContact O-CB 3.46Å; T253-Q256 PolarHBondContact O-N 2.85Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 3.28Å; Q256-V260 WeakPolarHBondContact O-CA 3.44Å; Q256-V260 WeakPolarHBondContact O-CB 3.49Å; Q256-V260 PolarHBondContact O-N 2.8Å
257	T	89.1	Confident	87.6	Confident	93 Å²	93	44.5 Å²	44.5	57%	0.571	24%	0.238	S	C	*	.	H	α-helix	trans	-63.1	-31	-174.9	66.1	0	0	0	0	113.9	T253 E254	T253-T257 HydrophobicContact CG2-CG2 4.32Å; T253-T257 WeakPolarHBondContact O-CG2 3.33Å; T253-T257 PolarHBondContact O-N 3.46Å; E254-T257 WeakPolarHBondContact CA-OG1 3.39Å; E254-T257 PolarHBondContact O-N 2.81Å; E254-T257 PolarHBondContact O-OG1 2.92Å; E254-T257 VanDerWaalsContact O-OG1 3.05Å
258	N	89	Confident	88.4	Confident	52 Å²	52	43.4 Å²	43.4	28%	0.278	23%	0.229	S	C	.	.	H	α-helix	trans	-96.7	-31.8	-174.2	-66.1	-58.1	0	0	0	112.7	E254 Q256 S314 K352	E254-N258 WeakPolarHBondContact O-CB 3.21Å; E254-N258 VanDerWaalsContact O-CG 3.25Å; E254-N258 PolarHBondContact O-N 3.13Å; E254-N258 PolarHBondContact O-ND2 2.85Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 3.28Å; N258-S314 WeakPolarHBondContact O-CB 2.97Å; N258-S314 PolarHBondContact O-OG 3.07Å; N258-K352 HydrophobicContact CB-CB 4.41Å
259	L	91.9	Very high	89.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-100.2	-21.9	-176.1	-65.5	167.2	0	0	0	113.1	F202 F255 P261 P268 C316 L378 N380	F202-L259 HydrophobicContact CE1-CD1 4.21Å; F255-L259 HydrophobicContact CB-CD1 4.36Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 WeakPolarHBondContact O-CB 3.37Å; F255-L259 PolarHBondContact O-N 3.42Å; L259-P261 VanDerWaalsContact O-CD 3.3Å; L259-P261 WeakPolarHBondContact O-CD 3.44Å; L259-P268 HydrophobicContact CB-CG 3.95Å; L259-P268 HydrophobicContact CD1-CB 4.4Å; L259-P268 HydrophobicContact CD1-CG 4.06Å; L259-P268 HydrophobicContact CG-CG 4.48Å; L259-C316 HydrophobicContact CD1-CB 4.23Å; L259-C316 HydrophobicContact CD2-CB 3.9Å; L259-C316 HydrophobicContact CG-CB 4.27Å; L259-L378 HydrophobicContact CD1-CB 3.84Å; L259-L378 HydrophobicContact CD1-CD1 4.19Å; L259-L378 HydrophobicContact CD2-CB 4.43Å; L259-L378 WeakPolarHBondContact CD2-O 3.25Å; L259-N380 VanDerWaalsContact O-CB 3.23Å; L259-N380 WeakPolarHBondContact O-CB 3.47Å; L259-N380 PolarHBondContact O-ND2 3.21Å
260	V	93	Very high	90.3	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.115	19%	0.189	C	C	.	.			trans	-110.9	98	-170.4	-175.8	0	0	0	0	109.9	C200 Q256 Y262 H266	C200-V260 HydrophobicContact CB-CG2 4.46Å; Q256-V260 WeakPolarHBondContact O-CA 3.44Å; Q256-V260 WeakPolarHBondContact O-CB 3.49Å; Q256-V260 PolarHBondContact O-N 2.8Å; V260-Y262 WeakPolarHBondContact CG1-O 3.26Å; V260-H266 HydrophobicContact CB-CB 4.46Å; V260-H266 HydrophobicContact CG1-CB 3.75Å; V260-H266 HydrophobicContact CG2-CB 3.83Å
261	P	91.2	Very high	91.3	Very high	48 Å²	48	35.9 Å²	35.9	31%	0.312	19%	0.189	S	C	.	.	S	Bend	trans	-71.5	-34.3	179.8	27.9	-33.8	0	0	0	112.6	L259 I265 M313 W346	L259-P261 VanDerWaalsContact O-CD 3.3Å; L259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-I265 HydrophobicContact CG-CB 4.39Å; P261-I265 HydrophobicContact CG-CG2 4.21Å; P261-M313 HydrophobicContact CG-SD 3.93Å; P261-W346 HydrophobicContact CB-CH2 3.75Å; P261-W346 HydrophobicContact CB-CZ3 4.17Å; P261-W346 HydrophobicContact CG-CH2 4.12Å
262	Y	92.2	Very high	92.1	Very high	133 Å²	133	34.3 Å²	34.3	52%	0.522	18%	0.18	S	C	.	.	S	Bend	trans	-134.4	144.6	176.9	-61.7	-81.4	0	0	0	109.2	V260 R264 I265 V435	V260-Y262 WeakPolarHBondContact CG1-O 3.26Å; Y262-R264 PolarHBondContact O-N 2.83Å; Y262-I265 HydrophobicContact CD2-CD1 3.94Å; Y262-I265 PolarHBondContact O-N 2.82Å; Y262-V435 HydrophobicContact CD2-CG1 3.88Å; Y262-V435 HydrophobicContact CE2-CG1 3.43Å; Y262-V435 VanDerWaalsContact CE2-CG1 3.43Å
263	P	91.6	Very high	92.7	Very high	110 Å²	110	34.4 Å²	34.4	71%	0.714	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.5	-175.8	-30.1	36	0	0	0	114.8	H266	P263-H266 PolarHBondContact O-ND1 3.15Å
264	R	94.3	Very high	93.2	Very high	72 Å²	72	31.6 Å²	31.6	27%	0.272	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-25.2	178.4	-67.1	174.6	61.7	91.2	2.5	113.5	L195 Y262 H266 D424 L428 D431	L195-R264 HydrophobicContact CD2-CG 4.12Å; L195-R264 VanDerWaalsContact CD2-CZ 3.45Å; L195-R264 HydrophobicContact CG-CG 4.44Å; Y262-R264 PolarHBondContact O-N 2.83Å; R264-H266 VanDerWaalsContact C-N 3.34Å; R264-H266 PolarHBondContact O-N 3.27Å; R264-H266 PolarHBondContact O-ND1 3.05Å; R264-D424 IonicContact CZ-OD1 2.86Å; R264-D424 IonicContact NH1-OD1 2.84Å; R264-D424 PolarHBondContact NH1-OD1 3.08Å; R264-D424 PolarHBondContact NH2-O 3.25Å; R264-D424 VanDerWaalsContact NH2-O 3.08Å; R264-D424 IonicContact NH2-OD1 3.33Å; R264-D424 PolarHBondContact NH2-OD1 3.1Å; R264-L428 HydrophobicContact CB-CD1 4.08Å; R264-L428 VanDerWaalsContact O-CD1 3.26Å; R264-L428 WeakPolarHBondContact O-CD1 3.49Å; R264-D431 WeakPolarHBondContact CD-OD2 3.36Å; R264-D431 IonicContact CZ-OD2 2.67Å; R264-D431 IonicContact NE-OD2 2.81Å; R264-D431 PolarHBondContact NE-OD2 3.18Å; R264-D431 IonicContact NH2-OD2 3.55Å
265	I	94.9	Very high	93.5	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	16%	0.159	C	C	.	.			trans	-95	63	-174.9	-52.8	-170	0	0	0	109.3	P261 Y262 M313 N380 D431 Y432 V435	P261-I265 HydrophobicContact CG-CB 4.39Å; P261-I265 HydrophobicContact CG-CG2 4.21Å; Y262-I265 HydrophobicContact CD2-CD1 3.94Å; Y262-I265 PolarHBondContact O-N 2.82Å; I265-M313 HydrophobicContact CG2-CE 3.76Å; I265-M313 HydrophobicContact CG2-SD 3.98Å; I265-N380 PolarHBondContact O-ND2 3.31Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.27Å; I265-Y432 HydrophobicContact CB-CE1 4.49Å; I265-Y432 HydrophobicContact CG2-CD1 3.88Å; I265-Y432 HydrophobicContact CG2-CE1 3.32Å; I265-Y432 HydrophobicContact CG2-CE2 4.21Å; I265-Y432 VanDerWaalsContact CG2-CZ 3.47Å; I265-V435 HydrophobicContact CD1-CB 4.45Å; I265-V435 HydrophobicContact CD1-CG1 4.07Å; I265-V435 HydrophobicContact CD1-CG2 3.49Å; I265-V435 VanDerWaalsContact CD1-CG2 3.49Å
266	H	95.6	Very high	93.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.			trans	-117.9	28.3	-171	66.2	-104.3	0	0	0	114.5	L195 A201 V260 P263 R264 P268	L195-H266 PolarHBondContact O-CE1 2.89Å; A201-H266 PolarHBondContact N-O 2.89Å; V260-H266 HydrophobicContact CB-CB 4.46Å; V260-H266 HydrophobicContact CG1-CB 3.75Å; V260-H266 HydrophobicContact CG2-CB 3.83Å; P263-H266 PolarHBondContact O-ND1 3.15Å; R264-H266 VanDerWaalsContact C-N 3.34Å; R264-H266 PolarHBondContact O-N 3.27Å; R264-H266 PolarHBondContact O-ND1 3.05Å; H266-P268 WeakPolarHBondContact O-CD 3.35Å
267	F	96.7	Very high	93.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.			trans	-110.5	65.9	-176.5	-58.3	-89.4	0	0	0	113.9	F141 T191 L195 A201 M203 W388 L428 Y432	F141-F267 HydrophobicContact CZ-CE1 4.24Å; T191-F267 HydrophobicContact CG2-CZ 4.09Å; L195-F267 HydrophobicContact CD1-CE2 3.8Å; L195-F267 HydrophobicContact CD1-CZ 3.92Å; A201-F267 HydrophobicContact CB-CD1 3.82Å; A201-F267 HydrophobicContact CB-CE1 3.99Å; A201-F267 WeakPolarHBondContact O-CA 3.25Å; M203-F267 HydrophobicContact CE-CD1 4.17Å; M203-F267 HydrophobicContact CG-CB 4.08Å; M203-F267 HydrophobicContact CG-CD1 4.26Å; M203-F267 HydrophobicContact SD-CD1 3.97Å; F267-W388 HydrophobicContact CB-CZ2 4.12Å; F267-W388 AromaticContact CD1-CH2 3.81Å; F267-W388 HydrophobicContact CD1-CH2 3.81Å; F267-W388 AromaticContact CD1-CZ2 3.97Å; F267-W388 HydrophobicContact CD1-CZ2 3.97Å; F267-W388 AromaticContact CD2-CH2 3.81Å; F267-W388 HydrophobicContact CD2-CH2 3.81Å; F267-W388 AromaticContact CD2-CZ2 3.48Å; F267-W388 HydrophobicContact CD2-CZ2 3.48Å; F267-W388 VanDerWaalsContact CD2-CZ2 3.48Å; F267-W388 AromaticContact CE1-CH2 3.68Å; F267-W388 HydrophobicContact CE1-CH2 3.68Å; F267-W388 HydrophobicContact CE1-CZ2 4.26Å; F267-W388 AromaticContact CE2-CH2 3.66Å; F267-W388 HydrophobicContact CE2-CH2 3.66Å; F267-W388 AromaticContact CE2-CZ2 3.79Å; F267-W388 HydrophobicContact CE2-CZ2 3.79Å; F267-W388 AromaticContact CG-CH2 3.87Å; F267-W388 HydrophobicContact CG-CH2 3.87Å; F267-W388 AromaticContact CG-CZ2 3.57Å; F267-W388 HydrophobicContact CG-CZ2 3.57Å; F267-W388 AromaticContact CZ-CH2 3.6Å; F267-W388 HydrophobicContact CZ-CH2 3.6Å; F267-W388 HydrophobicContact CZ-CZ2 4.18Å; F267-L428 HydrophobicContact CD2-CD2 4.37Å; F267-L428 HydrophobicContact CE2-CD2 3.79Å; F267-L428 HydrophobicContact CZ-CD2 4.5Å; F267-Y432 PolarHBondContact N-OH 3.2Å
268	P	96	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-61.9	144.7	175.5	-22.7	33.4	0	0	0	113.5	C200 F202 M203 L259 H266 S379 N380	C200-P268 VanDerWaalsContact SG-CD 3.56Å; C200-P268 VanDerWaalsContact SG-CG 3.58Å; F202-P268 HydrophobicContact CD1-CB 4.29Å; M203-P268 PolarHBondContact N-O 3.13Å; L259-P268 HydrophobicContact CB-CG 3.95Å; L259-P268 HydrophobicContact CD1-CB 4.4Å; L259-P268 HydrophobicContact CD1-CG 4.06Å; L259-P268 HydrophobicContact CG-CG 4.48Å; H266-P268 WeakPolarHBondContact O-CD 3.35Å; P268-S379 WeakPolarHBondContact CA-O 3.39Å; P268-N380 HydrophobicContact CG-CB 4.46Å
269	L	95.3	Very high	93.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.3	172.4	-46.1	-176.5	0	0	0	110.4	M203 V303 C305 L378 S379 T381 I384	M203-L269 HydrophobicContact CB-CD2 4.31Å; L269-V303 HydrophobicContact CD2-CB 4.1Å; L269-V303 HydrophobicContact CD2-CG1 4.41Å; L269-V303 HydrophobicContact CD2-CG2 3.98Å; L269-C305 WeakPolarHBondContact CD1-SG 3.21Å; L269-L378 WeakPolarHBondContact O-CA 3.41Å; L269-S379 PolarHBondContact N-O 3.17Å; L269-S379 PolarHBondContact O-N 3.37Å; L269-T381 HydrophobicContact CD1-CG2 3.35Å; L269-T381 HydrophobicContact CG-CG2 3.91Å; L269-I384 HydrophobicContact CD2-CB 4.24Å; L269-I384 HydrophobicContact CD2-CD1 3.48Å; L269-I384 VanDerWaalsContact CD2-CD1 3.48Å; L269-I384 HydrophobicContact CD2-CG1 3.96Å
270	A	95.7	Very high	92.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.4	173.3	0	0	0	0	0	111.9	V204 I234 M302 M377 L378	V204-A270 HydrophobicContact CG1-CB 4.29Å; I234-A270 HydrophobicContact CD1-CB 3.71Å; I234-A270 HydrophobicContact CG1-CB 4.36Å; I234-A270 HydrophobicContact CG2-CB 4.03Å; A270-M302 WeakPolarHBondContact O-CB 3.32Å; A270-M302 WeakPolarHBondContact O-CG 3.49Å; A270-M302 PolarHBondContact O-N 3.44Å; A270-M377 CarbonylContact C-O 3.52Å; A270-M377 WeakPolarHBondContact CA-O 3.46Å; A270-L378 HydrophobicContact CB-CD2 4.08Å
271	T	96.9	Very high	92	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.1	167.8	-62.2	0	0	0	0	109.5	C295 N300 Q301 C376 M377	T271-C295 HydrophobicContact CG2-CB 4.03Å; T271-C295 WeakPolarHBondContact CG2-O 3.05Å; T271-N300 HydrophobicContact CG2-CB 3.98Å; T271-N300 VanDerWaalsContact CG2-O 3.31Å; T271-N300 WeakPolarHBondContact CG2-O 3.47Å; T271-Q301 PolarHBondContact OG1-NE2 3.46Å; T271-Q301 VanDerWaalsContact OG1-NE2 3.13Å; T271-Q301 PolarHBondContact OG1-OE1 2.83Å; T271-C376 CarbonylContact O-C 3.58Å; T271-C376 WeakPolarHBondContact O-CA 3.32Å; T271-M377 PolarHBondContact N-O 3.22Å; T271-M377 PolarHBondContact O-N 2.75Å
272	Y	97	Very high	91.2	Very high	8 Å²	8	41.3 Å²	41.3	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.1	179.2	-169.8	-93.2	0	0	0	111.4	L230 Q233 P274 V275 M302 P360 A374 C376	L230-Y272 HydrophobicContact CD1-CD1 4.25Å; Q233-Y272 HydrophobicContact CB-CD2 4.15Å; Q233-Y272 HydrophobicContact CB-CE1 4.19Å; Q233-Y272 HydrophobicContact CB-CE2 3.74Å; Q233-Y272 PolarHBondContact OE1-OH 3.24Å; Y272-P274 WeakPolarHBondContact CE1-O 3.17Å; Y272-V275 HydrophobicContact CD1-CG2 3.98Å; Y272-M302 VanDerWaalsContact CB-CE 3.44Å; Y272-P360 WeakPolarHBondContact OH-CB 3.31Å; Y272-P360 WeakPolarHBondContact OH-CG 3.47Å; Y272-A374 HydrophobicContact CE1-CB 4.19Å; Y272-A374 HydrophobicContact CE2-CB 4.21Å; Y272-A374 WeakPolarHBondContact OH-CB 3.35Å; Y272-C376 HydrophobicContact CD2-CB 4.04Å
273	S	97	Very high	90.4	Very high	5 Å²	5	43 Å²	43	4%	0.035	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	138.9	-179.4	-178.7	0	0	0	0	112.1	I291 A294 A374 V375	S273-I291 WeakPolarHBondContact CB-O 3.32Å; S273-I291 WeakPolarHBondContact OG-CA 3.03Å; S273-I291 PolarHBondContact OG-O 2.71Å; S273-I291 VanDerWaalsContact OG-O 3.07Å; S273-A294 WeakPolarHBondContact OG-CB 3.12Å; S273-A374 CarbonylContact O-C 3.49Å; S273-A374 VanDerWaalsContact O-CA 3.23Å; S273-A374 WeakPolarHBondContact O-CA 3.48Å; S273-A374 WeakPolarHBondContact O-CB 3.32Å; S273-V375 PolarHBondContact N-O 3.32Å; S273-V375 PolarHBondContact O-N 2.94Å
274	P	95.4	Very high	89.7	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.058	21%	0.206	C	C	.	.			cis	-79.2	153.3	-4	34.2	-33.8	0	0	0	111	Y272 F286 I291 V371	Y272-P274 WeakPolarHBondContact CE1-O 3.17Å; P274-F286 HydrophobicContact CB-CD1 4.27Å; P274-F286 HydrophobicContact CB-CD2 4.01Å; P274-F286 HydrophobicContact CB-CE1 4.12Å; P274-F286 HydrophobicContact CB-CE2 3.85Å; P274-F286 HydrophobicContact CB-CG 4.19Å; P274-F286 HydrophobicContact CB-CZ 3.87Å; P274-F286 HydrophobicContact CG-CD2 3.77Å; P274-F286 HydrophobicContact CG-CE2 3.92Å; P274-F286 HydrophobicContact CG-CG 4.18Å; P274-F286 HydrophobicContact CG-CZ 4.46Å; P274-I291 HydrophobicContact CB-CG2 4.5Å; P274-I291 HydrophobicContact CG-CG2 4.36Å; P274-V371 HydrophobicContact CG-CG1 4.06Å
275	V	94.2	Very high	88.9	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.097	24%	0.235	C	C	.	.			trans	-109.5	109.2	164	179.8	0	0	0	0	105.9	I212 N216 L217 L230 Y272 L368	I212-V275 HydrophobicContact CG2-CB 4.28Å; I212-V275 HydrophobicContact CG2-CG1 3.9Å; I212-V275 HydrophobicContact CG2-CG2 4.17Å; N216-V275 HydrophobicContact CB-CB 4.18Å; N216-V275 HydrophobicContact CB-CG1 3.93Å; N216-V275 WeakPolarHBondContact CB-O 3.33Å; L217-V275 HydrophobicContact CD1-CG1 4.32Å; L217-V275 HydrophobicContact CD2-CG1 3.62Å; L217-V275 HydrophobicContact CG-CG1 3.91Å; L230-V275 HydrophobicContact CD1-CG1 4.36Å; L230-V275 HydrophobicContact CD1-CG2 3.82Å; Y272-V275 HydrophobicContact CD1-CG2 3.98Å; V275-L368 HydrophobicContact CG1-CD2 4.2Å
276	I	92.3	Very high	88.5	Confident	8 Å²	8	50 Å²	50	4%	0.041	25%	0.245	C	C	.	.			trans	-137.3	139.8	-174.3	-177.6	162.2	0	0	0	110.6	L217 K280 A281 E284 F286 A369 V371	L217-I276 VanDerWaalsContact CD2-C 3.49Å; I276-K280 HydrophobicContact CD1-CB 3.84Å; I276-K280 HydrophobicContact CG1-CB 3.81Å; I276-A281 HydrophobicContact CD1-CB 4.44Å; I276-E284 HydrophobicContact CD1-CB 4.11Å; I276-E284 HydrophobicContact CD1-CG 4.32Å; I276-F286 HydrophobicContact CB-CE2 4.49Å; I276-F286 HydrophobicContact CB-CZ 4.44Å; I276-F286 HydrophobicContact CD1-CE2 3.82Å; I276-F286 HydrophobicContact CD1-CZ 3.73Å; I276-F286 HydrophobicContact CG2-CE2 4.26Å; I276-A369 HydrophobicContact CG2-CB 3.94Å; I276-A369 PolarHBondContact O-N 2.69Å; I276-V371 HydrophobicContact CG2-CG1 3.83Å
277	S	90.7	Very high	88.5	Confident	6 Å²	6	52.1 Å²	52.1	4%	0.042	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-68.7	149.3	175.8	64.8	0	0	0	0	112	E279 K280 A281 D367	S277-E279 PolarHBondContact O-N 3.22Å; S277-E279 VanDerWaalsContact O-N 3.08Å; S277-K280 PolarHBondContact O-N 3.15Å; S277-K280 VanDerWaalsContact O-N 3.14Å; S277-K280 WeakPolarHBondContact OG-CG 3.48Å; S277-K280 PolarHBondContact OG-N 3.39Å; S277-A281 PolarHBondContact O-N 2.94Å; S277-D367 WeakPolarHBondContact CA-O 3.47Å
278	A	84.5	Confident	88.5	Confident	47 Å²	47	52.3 Å²	52.3	39%	0.388	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.1	175.8	0	0	0	0	0	113.6	D367	A278-D367 PolarHBondContact N-O 3.17Å; A278-D367 VanDerWaalsContact N-O 3.12Å
279	E	80.9	Confident	88.6	Confident	164 Å²	164	54.3 Å²	54.3	77%	0.766	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-36.4	-179.6	-60.3	-175.3	171.4	0	0	113.2	S277	S277-E279 PolarHBondContact O-N 3.22Å; S277-E279 VanDerWaalsContact O-N 3.08Å
280	K	83.3	Confident	88.6	Confident	73 Å²	73	59.1 Å²	59.1	32%	0.317	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-19.9	-174.6	-73.9	175.4	175.4	161.7	0	113.8	D218 I276 S277 F282 H283	D218-K280 IonicContact OD1-NZ 2.65Å; D218-K280 PolarHBondContact OD1-NZ 2.84Å; D218-K280 WeakPolarHBondContact OD2-CE 3.4Å; D218-K280 IonicContact OD2-NZ 3.76Å; D218-K280 PolarHBondContact OD2-NZ 3.11Å; I276-K280 HydrophobicContact CD1-CB 3.84Å; I276-K280 HydrophobicContact CG1-CB 3.81Å; S277-K280 PolarHBondContact O-N 3.15Å; S277-K280 VanDerWaalsContact O-N 3.14Å; S277-K280 WeakPolarHBondContact OG-CG 3.48Å; S277-K280 PolarHBondContact OG-N 3.39Å; K280-F282 PolarHBondContact O-N 3.35Å; K280-F282 VanDerWaalsContact O-N 3.07Å; K280-H283 PolarHBondContact O-N 3.05Å
281	A	76.7	Confident	88.6	Confident	28 Å²	28	59.2 Å²	59.2	23%	0.231	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-60.8	-24.9	-168.6	0	0	0	0	0	116	I276 S277 H283 A369	I276-A281 HydrophobicContact CD1-CB 4.44Å; S277-A281 PolarHBondContact O-N 2.94Å; A281-H283 PolarHBondContact O-N 2.87Å; A281-A369 HydrophobicContact CB-CB 3.29Å
282	F	75	Confident	88.7	Confident	186 Å²	186	59.2 Å²	59.2	82%	0.816	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-72.5	-14.1	178.4	-62.1	-77	0	0	0	113.7	K280	K280-F282 PolarHBondContact O-N 3.35Å; K280-F282 VanDerWaalsContact O-N 3.07Å
283	H	73.4	Confident	88.6	Confident	168 Å²	168	60.5 Å²	60.5	78%	0.778	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-105.5	-7.3	-173.2	-63.9	-59.5	0	0	0	113.9	K280 A281	K280-H283 PolarHBondContact O-N 3.05Å; A281-H283 PolarHBondContact O-N 2.87Å
284	E	77.9	Confident	88.6	Confident	95 Å²	95	61.4 Å²	61.4	44%	0.444	32%	0.315	S	S	.	.			trans	-124.8	131.7	-172.2	-63.5	-172.3	-164.7	0	0	111.3	I276 F286	I276-E284 HydrophobicContact CD1-CB 4.11Å; I276-E284 HydrophobicContact CD1-CG 4.32Å; E284-F286 HydrophobicContact CB-CE1 4.31Å; E284-F286 HydrophobicContact CB-CE2 3.99Å; E284-F286 HydrophobicContact CB-CZ 3.81Å; E284-F286 VanDerWaalsContact OE2-CE1 3.28Å; E284-F286 WeakPolarHBondContact OE2-CE1 3.35Å; E284-F286 WeakPolarHBondContact OE2-CZ 3.46Å
285	Q	77.2	Confident	88.7	Confident	187 Å²	187	61 Å²	61	87%	0.874	31%	0.313	S	S	*	.			trans	-112	128.4	165.5	-71.9	-170.7	0	0	0	107.9
286	F	87.8	Confident	88.7	Confident	50 Å²	50	60.7 Å²	60.7	22%	0.219	31%	0.31	C	S	.	.			trans	-105.2	119.4	-179.1	-59.4	-74.6	0	0	0	110.7	P274 I276 E284 I291 R373	P274-F286 HydrophobicContact CB-CD1 4.27Å; P274-F286 HydrophobicContact CB-CD2 4.01Å; P274-F286 HydrophobicContact CB-CE1 4.12Å; P274-F286 HydrophobicContact CB-CE2 3.85Å; P274-F286 HydrophobicContact CB-CG 4.19Å; P274-F286 HydrophobicContact CB-CZ 3.87Å; P274-F286 HydrophobicContact CG-CD2 3.77Å; P274-F286 HydrophobicContact CG-CE2 3.92Å; P274-F286 HydrophobicContact CG-CG 4.18Å; P274-F286 HydrophobicContact CG-CZ 4.46Å; I276-F286 HydrophobicContact CB-CE2 4.49Å; I276-F286 HydrophobicContact CB-CZ 4.44Å; I276-F286 HydrophobicContact CD1-CE2 3.82Å; I276-F286 HydrophobicContact CD1-CZ 3.73Å; I276-F286 HydrophobicContact CG2-CE2 4.26Å; E284-F286 HydrophobicContact CB-CE1 4.31Å; E284-F286 HydrophobicContact CB-CE2 3.99Å; E284-F286 HydrophobicContact CB-CZ 3.81Å; E284-F286 VanDerWaalsContact OE2-CE1 3.28Å; E284-F286 WeakPolarHBondContact OE2-CE1 3.35Å; E284-F286 WeakPolarHBondContact OE2-CZ 3.46Å; F286-I291 HydrophobicContact CB-CG2 3.6Å; F286-I291 HydrophobicContact CG-CG2 4.27Å; F286-R373 WeakPolarHBondContact O-CD 3.31Å; F286-R373 PolarHBondContact O-NH1 2.83Å
287	S	94.8	Very high	88.8	Confident	44 Å²	44	64.9 Å²	64.9	31%	0.308	33%	0.329	S	S	.	.			trans	-74.3	158	168.3	66.3	0	0	0	0	111.1	A289 E290 I291	S287-A289 PolarHBondContact O-N 2.88Å; S287-E290 WeakPolarHBondContact CB-OE2 3.18Å; S287-E290 PolarHBondContact N-OE2 2.93Å; S287-E290 PolarHBondContact O-N 3.22Å; S287-E290 WeakPolarHBondContact OG-CB 3.41Å; S287-E290 VanDerWaalsContact OG-CG 3.26Å; S287-E290 WeakPolarHBondContact OG-CG 3.42Å; S287-E290 PolarHBondContact OG-N 3.17Å; S287-E290 VanDerWaalsContact OG-N 3.12Å; S287-E290 PolarHBondContact OG-OE2 3.36Å; S287-I291 PolarHBondContact O-N 3.5Å; S287-I291 VanDerWaalsContact O-N 3.13Å
288	V	96.8	Very high	89	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.03	34%	0.337	C	S	.	.	H	α-helix	trans	-55.7	-40.9	172.6	178.4	0	0	0	0	110.1	E290 I291 T292 Y319 V323 D327 V328 A331	V288-E290 PolarHBondContact O-N 3.09Å; V288-I291 VanDerWaalsContact O-CG1 3.23Å; V288-I291 WeakPolarHBondContact O-CG1 3.09Å; V288-T292 WeakPolarHBondContact O-CB 3.47Å; V288-T292 PolarHBondContact O-N 3.46Å; V288-T292 PolarHBondContact O-OG1 3.25Å; V288-Y319 HydrophobicContact CG1-CD1 4.45Å; V288-Y319 HydrophobicContact CG1-CE1 3.87Å; V288-V323 HydrophobicContact CG1-CG1 4.27Å; V288-V323 HydrophobicContact CG2-CB 4.47Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.22Å; V288-D327 HydrophobicContact CB-CB 4.02Å; V288-D327 HydrophobicContact CG1-CB 4.27Å; V288-D327 HydrophobicContact CG2-CB 4.05Å; V288-V328 HydrophobicContact CG1-CG2 3.91Å; V288-A331 HydrophobicContact CG1-CB 4.45Å
289	A	96.8	Very high	89.5	Confident	41 Å²	41	66.5 Å²	66.5	34%	0.339	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-45.3	177.4	0	0	0	0	0	112.6	S287 N293 A331	S287-A289 PolarHBondContact O-N 2.88Å; A289-N293 WeakPolarHBondContact O-CB 3.33Å; A289-N293 VanDerWaalsContact O-CG 3.31Å; A289-N293 PolarHBondContact O-N 3.48Å; A289-N293 PolarHBondContact O-ND2 2.77Å; A289-A331 HydrophobicContact CB-CB 4.41Å
290	E	95.9	Very high	90.1	Very high	102 Å²	102	59.5 Å²	59.5	48%	0.477	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-46.5	-179.7	-74.7	156.4	155.1	0	0	112.1	S287 V288 T292 N293 A294	S287-E290 WeakPolarHBondContact CB-OE2 3.18Å; S287-E290 PolarHBondContact N-OE2 2.93Å; S287-E290 PolarHBondContact O-N 3.22Å; S287-E290 WeakPolarHBondContact OG-CB 3.41Å; S287-E290 VanDerWaalsContact OG-CG 3.26Å; S287-E290 WeakPolarHBondContact OG-CG 3.42Å; S287-E290 PolarHBondContact OG-N 3.17Å; S287-E290 VanDerWaalsContact OG-N 3.12Å; S287-E290 PolarHBondContact OG-OE2 3.36Å; V288-E290 PolarHBondContact O-N 3.09Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.19Å; E290-N293 PolarHBondContact O-N 3.45Å; E290-A294 WeakPolarHBondContact O-CB 3.26Å; E290-A294 PolarHBondContact O-N 3.47Å
291	I	97	Very high	90.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-65.4	-40	-179.6	65.8	178.9	0	0	0	111.3	S273 P274 F286 S287 V288 A294 C295 Y319 R373 V375	S273-I291 WeakPolarHBondContact CB-O 3.32Å; S273-I291 WeakPolarHBondContact OG-CA 3.03Å; S273-I291 PolarHBondContact OG-O 2.71Å; S273-I291 VanDerWaalsContact OG-O 3.07Å; P274-I291 HydrophobicContact CB-CG2 4.5Å; P274-I291 HydrophobicContact CG-CG2 4.36Å; F286-I291 HydrophobicContact CB-CG2 3.6Å; F286-I291 HydrophobicContact CG-CG2 4.27Å; S287-I291 PolarHBondContact O-N 3.5Å; S287-I291 VanDerWaalsContact O-N 3.13Å; V288-I291 VanDerWaalsContact O-CG1 3.23Å; V288-I291 WeakPolarHBondContact O-CG1 3.09Å; I291-A294 PolarHBondContact O-N 3.28Å; I291-C295 PolarHBondContact O-N 2.72Å; I291-Y319 HydrophobicContact CD1-CD1 4.27Å; I291-Y319 HydrophobicContact CD1-CE1 4.37Å; I291-R373 HydrophobicContact CD1-CB 4.47Å; I291-R373 HydrophobicContact CD1-CG 4.13Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.25Å; I291-V375 HydrophobicContact CD1-CG1 3.96Å; I291-V375 HydrophobicContact CG1-CB 4.49Å; I291-V375 HydrophobicContact CG1-CG1 3.72Å
292	T	97.6	Very high	91.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-45.2	175.4	-57.5	0	0	0	0	111	V288 E290 A294 C295 F296 M317 Y319 A331 I335	V288-T292 WeakPolarHBondContact O-CB 3.47Å; V288-T292 PolarHBondContact O-N 3.46Å; V288-T292 PolarHBondContact O-OG1 3.25Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.19Å; T292-A294 VanDerWaalsContact C-N 3.34Å; T292-A294 PolarHBondContact O-N 2.81Å; T292-C295 WeakPolarHBondContact O-CB 3.41Å; T292-C295 PolarHBondContact O-N 2.87Å; T292-F296 WeakPolarHBondContact O-CD2 3.39Å; T292-M317 HydrophobicContact CG2-CE 3.91Å; T292-Y319 WeakPolarHBondContact OG1-CE1 3.18Å; T292-Y319 PolarHBondContact OG1-OH 3.18Å; T292-A331 HydrophobicContact CG2-CB 4Å; T292-I335 HydrophobicContact CG2-CD1 4.47Å; T292-I335 HydrophobicContact CG2-CG1 3.93Å
293	N	96.2	Very high	92.5	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-42.9	177.8	-80.8	-62.4	0	0	0	112	A289 E290 C295 F296 I335 K338	A289-N293 WeakPolarHBondContact O-CB 3.33Å; A289-N293 VanDerWaalsContact O-CG 3.31Å; A289-N293 PolarHBondContact O-N 3.48Å; A289-N293 PolarHBondContact O-ND2 2.77Å; E290-N293 PolarHBondContact O-N 3.45Å; N293-C295 PolarHBondContact O-N 2.73Å; N293-F296 PolarHBondContact O-N 3.01Å; N293-F296 VanDerWaalsContact O-N 3.1Å; N293-I335 VanDerWaalsContact OD1-CD1 3.22Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.28Å; N293-K338 WeakPolarHBondContact OD1-CE 3.36Å; N293-K338 PolarHBondContact OD1-NZ 2.81Å
294	A	96.1	Very high	93.5	Very high	24 Å²	24	40.8 Å²	40.8	20%	0.198	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-26.2	178.6	0	0	0	0	0	113.1	S273 E290 I291 T292 F296 E297 N300	S273-A294 WeakPolarHBondContact OG-CB 3.12Å; E290-A294 WeakPolarHBondContact O-CB 3.26Å; E290-A294 PolarHBondContact O-N 3.47Å; I291-A294 PolarHBondContact O-N 3.28Å; T292-A294 VanDerWaalsContact C-N 3.34Å; T292-A294 PolarHBondContact O-N 2.81Å; A294-F296 PolarHBondContact O-N 2.86Å; A294-E297 PolarHBondContact O-N 2.97Å; A294-N300 WeakPolarHBondContact O-CB 3.19Å; A294-N300 PolarHBondContact O-ND2 3.27Å
295	C	96.8	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-23.8	174.7	-76	0	0	0	0	114.1	T271 I291 T292 N293 Q301 M317 V375 M377	T271-C295 HydrophobicContact CG2-CB 4.03Å; T271-C295 WeakPolarHBondContact CG2-O 3.05Å; I291-C295 PolarHBondContact O-N 2.72Å; T292-C295 WeakPolarHBondContact O-CB 3.41Å; T292-C295 PolarHBondContact O-N 2.87Å; N293-C295 PolarHBondContact O-N 2.73Å; C295-Q301 PolarHBondContact O-NE2 2.57Å; C295-M317 HydrophobicContact CB-CE 4.31Å; C295-V375 VanDerWaalsContact SG-CG1 3.55Å; C295-M377 HydrophobicContact CB-CB 3.94Å; C295-M377 HydrophobicContact CB-CE 4.23Å; C295-M377 HydrophobicContact CB-SD 4.04Å; C295-M377 WeakPolarHBondContact O-CE 3.29Å
296	F	95.7	Very high	94.7	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.039	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.2	179.9	-71.4	-88.8	0	0	0	113.1	T292 N293 A294 Y312 M317 I335 I341 F343 F351 M377	T292-F296 WeakPolarHBondContact O-CD2 3.39Å; N293-F296 PolarHBondContact O-N 3.01Å; N293-F296 VanDerWaalsContact O-N 3.1Å; A294-F296 PolarHBondContact O-N 2.86Å; F296-Y312 AromaticContact CD1-CE2 3.85Å; F296-Y312 HydrophobicContact CD1-CE2 3.85Å; F296-Y312 AromaticContact CD1-CZ 3.85Å; F296-Y312 HydrophobicContact CE1-CD2 4.4Å; F296-Y312 HydrophobicContact CE1-CE1 4.47Å; F296-Y312 HydrophobicContact CE1-CE2 4.08Å; F296-M317 HydrophobicContact CE2-CE 4.38Å; F296-M317 HydrophobicContact CE2-SD 4.31Å; F296-M317 HydrophobicContact CZ-SD 4.46Å; F296-I335 HydrophobicContact CD1-CG2 4.37Å; F296-I335 HydrophobicContact CD2-CD1 3.67Å; F296-I335 HydrophobicContact CD2-CG1 4.09Å; F296-I335 HydrophobicContact CD2-CG2 4.08Å; F296-I335 HydrophobicContact CE1-CG2 4.09Å; F296-I335 HydrophobicContact CE2-CD1 4.12Å; F296-I335 HydrophobicContact CE2-CG1 4Å; F296-I335 HydrophobicContact CE2-CG2 3.8Å; F296-I335 HydrophobicContact CG-CD1 4.32Å; F296-I335 HydrophobicContact CG-CG2 4.37Å; F296-I335 HydrophobicContact CZ-CG2 3.81Å; F296-I341 HydrophobicContact CB-CD1 3.55Å; F296-I341 HydrophobicContact CB-CG1 4.3Å; F296-I341 HydrophobicContact CD1-CD1 3.83Å; F296-I341 HydrophobicContact CD1-CG1 4.32Å; F296-I341 HydrophobicContact CD1-CG2 3.72Å; F296-I341 HydrophobicContact CD2-CD1 4.43Å; F296-I341 HydrophobicContact CE1-CG2 3.96Å; F296-I341 HydrophobicContact CG-CD1 3.68Å; F296-F343 HydrophobicContact CE1-CZ 4.27Å; F296-F351 HydrophobicContact CE1-CZ 4.41Å; F296-F351 HydrophobicContact CE2-CE1 4.22Å; F296-F351 HydrophobicContact CE2-CZ 4.45Å; F296-F351 AromaticContact CZ-CE1 3.64Å; F296-F351 HydrophobicContact CZ-CE1 3.64Å; F296-F351 AromaticContact CZ-CZ 3.7Å; F296-F351 HydrophobicContact CZ-CZ 3.7Å; F296-M377 HydrophobicContact CD1-CE 4.37Å; F296-M377 HydrophobicContact CD1-SD 4.26Å; F296-M377 HydrophobicContact CD2-SD 4.18Å; F296-M377 HydrophobicContact CE1-CE 4.31Å; F296-M377 HydrophobicContact CE1-SD 3.74Å; F296-M377 HydrophobicContact CE2-SD 3.63Å; F296-M377 HydrophobicContact CG-SD 4.46Å; F296-M377 HydrophobicContact CZ-CE 4.47Å; F296-M377 HydrophobicContact CZ-SD 3.37Å; F296-M377 WeakPolarHBondContact CZ-SD 3.29Å
297	E	94.7	Very high	94.9	Very high	96 Å²	96	27 Å²	27	45%	0.449	16%	0.158	S	C	.	.	S	Bend	trans	-76.1	128.1	176	-67.5	-58.7	145.2	0	0	110.1	A294 A299 N300	A294-E297 PolarHBondContact O-N 2.97Å; E297-A299 PolarHBondContact O-N 2.84Å; E297-N300 PolarHBondContact O-N 3.33Å
298	P	94	Very high	94.8	Very high	33 Å²	33	32 Å²	32	21%	0.214	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-52.8	-34.3	-179.8	-29.1	34.8	0	0	0	113.4	N300 Q301 P307 R308	P298-N300 PolarHBondContact O-N 3.1Å; P298-Q301 WeakPolarHBondContact O-CB 3.27Å; P298-Q301 PolarHBondContact O-N 3.07Å; P298-P307 HydrophobicContact CB-CG 4.35Å; P298-P307 HydrophobicContact CG-CG 4.16Å; P298-R308 HydrophobicContact CG-CG 4.23Å
299	A	94	Very high	94.5	Very high	55 Å²	55	40.3 Å²	40.3	46%	0.455	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-67.7	-20.5	-178.4	0	0	0	0	0	113.5	I212 R215 E297	I212-A299 WeakPolarHBondContact CG1-O 3.3Å; R215-A299 PolarHBondContact NH2-O 3.46Å; E297-A299 PolarHBondContact O-N 2.84Å
300	N	95.3	Very high	94.3	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.091	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-97.7	-5.4	-179.3	-66.3	-19.6	0	0	0	112.9	R215 T271 A294 E297 P298 M302	R215-N300 PolarHBondContact NH2-OD1 3.29Å; T271-N300 HydrophobicContact CG2-CB 3.98Å; T271-N300 VanDerWaalsContact CG2-O 3.31Å; T271-N300 WeakPolarHBondContact CG2-O 3.47Å; A294-N300 WeakPolarHBondContact O-CB 3.19Å; A294-N300 PolarHBondContact O-ND2 3.27Å; E297-N300 PolarHBondContact O-N 3.33Å; P298-N300 PolarHBondContact O-N 3.1Å; N300-M302 PolarHBondContact O-N 3.36Å
301	Q	95.2	Very high	94.2	Very high	3 Å²	3	35 Å²	35	1%	0.014	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-62.5	135.2	171.8	-60.2	-57.8	-49.3	0	0	109.6	T271 C295 P298 V303 P307	T271-Q301 PolarHBondContact OG1-NE2 3.46Å; T271-Q301 VanDerWaalsContact OG1-NE2 3.13Å; T271-Q301 PolarHBondContact OG1-OE1 2.83Å; C295-Q301 PolarHBondContact O-NE2 2.57Å; P298-Q301 WeakPolarHBondContact O-CB 3.27Å; P298-Q301 PolarHBondContact O-N 3.07Å; Q301-V303 PolarHBondContact O-N 2.85Å; Q301-P307 HydrophobicContact CG-CG 3.98Å
302	M	95.8	Very high	94.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.17	C	C	.	.	S	Bend	trans	-86.8	9.4	177.9	-57.6	-146.8	-165.2	0	0	113.2	V204 D205 A208 I209 I212 L230 I234 A270 Y272 N300	V204-M302 CarbonylContact C-O 3.59Å; V204-M302 WeakPolarHBondContact CA-O 3.41Å; V204-M302 HydrophobicContact CB-CB 4.38Å; V204-M302 HydrophobicContact CG1-CB 4.05Å; D205-M302 PolarHBondContact N-O 2.87Å; A208-M302 VanDerWaalsContact CB-C 3.49Å; I209-M302 HydrophobicContact CD1-SD 4.28Å; I209-M302 HydrophobicContact CG1-CB 4.19Å; I209-M302 HydrophobicContact CG1-CG 4.4Å; I209-M302 HydrophobicContact CG1-SD 3.95Å; I212-M302 HydrophobicContact CD1-CG 4.04Å; L230-M302 HydrophobicContact CD1-CE 4.1Å; L230-M302 HydrophobicContact CD2-CE 3.6Å; L230-M302 HydrophobicContact CD2-SD 3.91Å; L230-M302 HydrophobicContact CG-CE 3.66Å; L230-M302 HydrophobicContact CG-SD 4.19Å; I234-M302 HydrophobicContact CD1-CE 3.32Å; I234-M302 HydrophobicContact CD1-CG 4.28Å; I234-M302 HydrophobicContact CD1-SD 3.15Å; I234-M302 WeakPolarHBondContact CD1-SD 3.5Å; I234-M302 HydrophobicContact CG1-CE 3.86Å; I234-M302 HydrophobicContact CG1-SD 4.31Å; A270-M302 WeakPolarHBondContact O-CB 3.32Å; A270-M302 WeakPolarHBondContact O-CG 3.49Å; A270-M302 PolarHBondContact O-N 3.44Å; Y272-M302 VanDerWaalsContact CB-CE 3.44Å; N300-M302 PolarHBondContact O-N 3.36Å
303	V	94.3	Very high	93.9	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	17%	0.171	C	C	.	.	S	Bend	trans	-130	138.2	170.3	180	0	0	0	0	108.8	M203 D205 L269 Q301 C305 I384	M203-V303 HydrophobicContact CB-CG2 3.83Å; M203-V303 WeakPolarHBondContact O-CG2 3.28Å; D205-V303 WeakPolarHBondContact OD2-CA 3.47Å; L269-V303 HydrophobicContact CD2-CB 4.1Å; L269-V303 HydrophobicContact CD2-CG1 4.41Å; L269-V303 HydrophobicContact CD2-CG2 3.98Å; Q301-V303 PolarHBondContact O-N 2.85Å; V303-C305 PolarHBondContact O-N 2.95Å; V303-I384 HydrophobicContact CG1-CD1 4Å
304	K	92.7	Very high	93.8	Very high	55 Å²	55	34 Å²	34	24%	0.239	17%	0.165	C	C	.	.	S	Bend	trans	-69.6	78.6	175.5	-73.3	-59.9	-168.7	177.3	0	109.9	P175 D205 E207 A208 D211 R390	P175-K304 HydrophobicContact CG-CB 3.88Å; P175-K304 HydrophobicContact CG-CG 4.19Å; D205-K304 WeakPolarHBondContact OD2-CB 3.38Å; D205-K304 WeakPolarHBondContact OD2-CG 3.49Å; D205-K304 PolarHBondContact OD2-N 2.71Å; E207-K304 HydrophobicContact CB-CG 4.29Å; E207-K304 HydrophobicContact CG-CG 4.41Å; E207-K304 VanDerWaalsContact OE1-CE 3.31Å; E207-K304 WeakPolarHBondContact OE1-CE 3.32Å; A208-K304 HydrophobicContact CB-CD 4.24Å; A208-K304 HydrophobicContact CB-CG 4.19Å; D211-K304 IonicContact OD2-NZ 3.9Å; D211-K304 PolarHBondContact OD2-NZ 2.83Å; K304-R390 VanDerWaalsContact O-CZ 3.24Å; K304-R390 PolarHBondContact O-NH1 3Å; K304-R390 PolarHBondContact O-NH2 3.48Å
305	C	90.6	Very high	93.8	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.068	16%	0.156	C	C	.	.	S	Bend	trans	-145.9	150.6	166.8	58.7	0	0	0	0	107.5	L269 V303 P307 A383	L269-C305 WeakPolarHBondContact CD1-SG 3.21Å; V303-C305 PolarHBondContact O-N 2.95Å; C305-P307 VanDerWaalsContact O-CD 3.28Å; C305-P307 WeakPolarHBondContact O-CD 3.44Å; C305-A383 WeakPolarHBondContact CB-O 3.38Å
306	D	91.5	Very high	93.7	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	16%	0.156	C	C	.	.			trans	-92.3	107	174.7	-171.4	-11.7	0	0	0	109	R308 R309 A383	D306-R308 PolarHBondContact O-N 3.46Å; D306-R308 VanDerWaalsContact OD1-CB 3.24Å; D306-R308 WeakPolarHBondContact OD1-CB 3.39Å; D306-R308 WeakPolarHBondContact OD1-CG 3.47Å; D306-R308 IonicContact OD1-CZ 3.2Å; D306-R308 PolarHBondContact OD1-N 3.21Å; D306-R308 IonicContact OD1-NE 3.53Å; D306-R308 PolarHBondContact OD1-NE 3.1Å; D306-R308 IonicContact OD1-NH2 3.57Å; D306-R308 IonicContact OD2-CZ 2.74Å; D306-R308 VanDerWaalsContact OD2-CZ 3.3Å; D306-R308 IonicContact OD2-NE 2.68Å; D306-R308 PolarHBondContact OD2-NE 3.34Å; D306-R308 VanDerWaalsContact OD2-NE 3.13Å; D306-R308 IonicContact OD2-NH2 3.3Å; D306-R308 PolarHBondContact OD2-NH2 3.5Å; D306-R309 HydrophobicContact CB-CG 3.99Å; D306-R309 WeakPolarHBondContact O-CB 3.25Å; D306-R309 PolarHBondContact O-N 3.39Å; D306-A383 WeakPolarHBondContact O-CB 3.38Å
307	P	91.7	Very high	93.7	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.032	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.8	-17.6	-179.4	24.8	-34	0	0	0	112.9	P298 Q301 C305 R309 G310 Y312	P298-P307 HydrophobicContact CB-CG 4.35Å; P298-P307 HydrophobicContact CG-CG 4.16Å; Q301-P307 HydrophobicContact CG-CG 3.98Å; C305-P307 VanDerWaalsContact O-CD 3.28Å; C305-P307 WeakPolarHBondContact O-CD 3.44Å; P307-R309 PolarHBondContact O-N 3.48Å; P307-G310 PolarHBondContact O-N 3.13Å; P307-G310 VanDerWaalsContact O-O 3.11Å; P307-Y312 HydrophobicContact CB-CE1 4.48Å; P307-Y312 HydrophobicContact CB-CE2 4.21Å; P307-Y312 WeakPolarHBondContact CB-OH 3.31Å
308	R	91.3	Very high	93.7	Very high	150 Å²	150	28.3 Å²	28.3	57%	0.566	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-73.4	-14.9	176	-55.5	170.5	-65.8	-172.8	1.4	113.1	P298 D306 G310	P298-R308 HydrophobicContact CG-CG 4.23Å; D306-R308 PolarHBondContact O-N 3.46Å; D306-R308 VanDerWaalsContact OD1-CB 3.24Å; D306-R308 WeakPolarHBondContact OD1-CB 3.39Å; D306-R308 WeakPolarHBondContact OD1-CG 3.47Å; D306-R308 IonicContact OD1-CZ 3.2Å; D306-R308 PolarHBondContact OD1-N 3.21Å; D306-R308 IonicContact OD1-NE 3.53Å; D306-R308 PolarHBondContact OD1-NE 3.1Å; D306-R308 IonicContact OD1-NH2 3.57Å; D306-R308 IonicContact OD2-CZ 2.74Å; D306-R308 VanDerWaalsContact OD2-CZ 3.3Å; D306-R308 IonicContact OD2-NE 2.68Å; D306-R308 PolarHBondContact OD2-NE 3.34Å; D306-R308 VanDerWaalsContact OD2-NE 3.13Å; D306-R308 IonicContact OD2-NH2 3.3Å; D306-R308 PolarHBondContact OD2-NH2 3.5Å; R308-G310 VanDerWaalsContact C-N 3.34Å
309	R	91.4	Very high	93.9	Very high	178 Å²	178	26.8 Å²	26.8	67%	0.672	13%	0.125	S	C	*	.	G	3₁₀ helix	trans	-90.5	-0.7	175.3	-65.7	-179.4	176	171.6	-6.8	113	D306 P307 E386	D306-R309 HydrophobicContact CB-CG 3.99Å; D306-R309 WeakPolarHBondContact O-CB 3.25Å; D306-R309 PolarHBondContact O-N 3.39Å; P307-R309 PolarHBondContact O-N 3.48Å; R309-E386 IonicContact CZ-OE2 3.98Å; R309-E386 IonicContact NH1-OE1 2.72Å; R309-E386 IonicContact NH1-OE2 3.17Å; R309-E386 PolarHBondContact NH1-OE2 3.19Å
310	G	92.8	Very high	94	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	10%	0.103	C	C	.	.	S	Bend	trans	-134	-173.7	176	0	0	0	0	0	111.5	P307 R308 T382	P307-G310 PolarHBondContact O-N 3.13Å; P307-G310 VanDerWaalsContact O-O 3.11Å; R308-G310 VanDerWaalsContact C-N 3.34Å; G310-T382 VanDerWaalsContact CA-OG1 3.27Å; G310-T382 WeakPolarHBondContact CA-OG1 3.23Å
311	K	93.9	Very high	93.9	Very high	26 Å²	26	23.5 Å²	23.5	11%	0.113	10%	0.101	C	C	.	.			trans	-116.9	143.4	174.7	-63.1	179.5	-176.2	167.2	0	108.9	Q342 V344 T381 T382 G436 D438	K311-Q342 WeakPolarHBondContact CA-O 3.43Å; K311-Q342 HydrophobicContact CG-CB 4.04Å; K311-V344 HydrophobicContact CB-CG1 3.88Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.33Å; K311-T381 PolarHBondContact O-OG1 3.34Å; K311-T382 PolarHBondContact N-OG1 3.06Å; K311-T382 PolarHBondContact O-N 3.14Å; K311-G436 WeakPolarHBondContact CD-O 3.42Å; K311-G436 WeakPolarHBondContact CE-O 3.47Å; K311-G436 PolarHBondContact NZ-O 3.23Å; K311-D438 IonicContact NZ-OD1 2.63Å; K311-D438 PolarHBondContact NZ-OD1 3.23Å; K311-D438 IonicContact NZ-OD2 3.42Å; K311-D438 PolarHBondContact NZ-OD2 3.03Å
312	Y	94.7	Very high	93.9	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.1	170.9	-71.1	-76.4	0	0	0	109.3	F296 P307 I341 Q342 F343 V344 M377	F296-Y312 AromaticContact CD1-CE2 3.85Å; F296-Y312 HydrophobicContact CD1-CE2 3.85Å; F296-Y312 AromaticContact CD1-CZ 3.85Å; F296-Y312 HydrophobicContact CE1-CD2 4.4Å; F296-Y312 HydrophobicContact CE1-CE1 4.47Å; F296-Y312 HydrophobicContact CE1-CE2 4.08Å; P307-Y312 HydrophobicContact CB-CE1 4.48Å; P307-Y312 HydrophobicContact CB-CE2 4.21Å; P307-Y312 WeakPolarHBondContact CB-OH 3.31Å; Y312-I341 HydrophobicContact CD2-CG2 3.79Å; Y312-I341 HydrophobicContact CE2-CG2 3.79Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.23Å; Y312-Q342 PolarHBondContact N-O 2.94Å; Y312-F343 HydrophobicContact CD2-CZ 4.45Å; Y312-F343 HydrophobicContact CG-CE1 4.23Å; Y312-F343 VanDerWaalsContact O-CA 3.26Å; Y312-F343 WeakPolarHBondContact O-CA 3.42Å; Y312-V344 PolarHBondContact O-N 3.12Å; Y312-M377 HydrophobicContact CE1-CE 4.43Å
313	M	94.1	Very high	93.8	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-40.8	173	-67.7	173.1	-83.9	0	0	111	P261 I265 V344 W346 C347 N380 T382 Y432 V435	P261-M313 HydrophobicContact CG-SD 3.93Å; I265-M313 HydrophobicContact CG2-CE 3.76Å; I265-M313 HydrophobicContact CG2-SD 3.98Å; M313-V344 HydrophobicContact CB-CG2 4.45Å; M313-V344 HydrophobicContact CG-CG1 3.78Å; M313-V344 HydrophobicContact CG-CG2 4.37Å; M313-W346 HydrophobicContact CB-CH2 4.08Å; M313-W346 HydrophobicContact CB-CZ2 4.41Å; M313-W346 HydrophobicContact CG-CH2 4.02Å; M313-W346 HydrophobicContact CG-CZ2 3.88Å; M313-W346 HydrophobicContact SD-CH2 4.42Å; M313-W346 HydrophobicContact SD-CZ2 4.29Å; M313-C347 PolarHBondContact O-SG 3.46Å; M313-N380 HydrophobicContact CE-CB 4.2Å; M313-N380 WeakPolarHBondContact CE-OD1 3.33Å; M313-N380 PolarHBondContact N-O 2.88Å; M313-T382 HydrophobicContact CE-CG2 4.13Å; M313-T382 HydrophobicContact SD-CG2 4.43Å; M313-Y432 HydrophobicContact CE-CD1 3.92Å; M313-Y432 HydrophobicContact CE-CE1 3.73Å; M313-V435 HydrophobicContact SD-CB 4.16Å; M313-V435 HydrophobicContact SD-CG2 3.85Å
314	S	93.8	Very high	93.8	Very high	11 Å²	11	31.2 Å²	31.2	8%	0.077	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	145.7	177.9	-177.5	0	0	0	0	111.2	N258 G350 S379 N380	N258-S314 WeakPolarHBondContact O-CB 2.97Å; N258-S314 PolarHBondContact O-OG 3.07Å; S314-G350 CarbonylContact C-O 3.46Å; S314-S379 CarbonylContact O-C 3.58Å; S314-S379 VanDerWaalsContact O-CA 3.24Å; S314-S379 WeakPolarHBondContact O-CA 3.33Å; S314-N380 PolarHBondContact N-O 3.14Å; S314-N380 PolarHBondContact O-N 3.17Å
315	C	95.1	Very high	93.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.1	176.9	-64.6	0	0	0	0	110	G350 F351 K352 L378	C315-G350 PolarHBondContact N-O 3.02Å; C315-F351 HydrophobicContact CB-CD1 3.86Å; C315-F351 HydrophobicContact CB-CE1 3.87Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.43Å; C315-F351 CarbonylContact O-C 3.5Å; C315-F351 VanDerWaalsContact O-CA 3.26Å; C315-F351 WeakPolarHBondContact O-CA 3.48Å; C315-K352 PolarHBondContact O-N 2.94Å; C315-L378 CarbonylContact C-O 3.47Å; C315-L378 WeakPolarHBondContact CA-O 3.4Å
316	C	94.8	Very high	94.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116	168.3	-168.6	0	0	0	0	109.7	L259 K352 M377 L378	L259-C316 HydrophobicContact CD1-CB 4.23Å; L259-C316 HydrophobicContact CD2-CB 3.9Å; L259-C316 HydrophobicContact CG-CB 4.27Å; C316-K352 CarbonylContact C-O 3.4Å; C316-K352 WeakPolarHBondContact CA-O 3.49Å; C316-K352 HydrophobicContact CB-CB 4.45Å; C316-M377 WeakPolarHBondContact O-CA 3.17Å; C316-L378 HydrophobicContact CB-CB 4.3Å; C316-L378 PolarHBondContact N-O 2.86Å; C316-L378 PolarHBondContact O-N 2.81Å
317	M	95.8	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	109.2	179.6	-53.6	-63.6	-62.2	0	0	109.6	T292 C295 F296 Y319 I332 F351 K352 V353 G354 V375 M377	T292-M317 HydrophobicContact CG2-CE 3.91Å; C295-M317 HydrophobicContact CB-CE 4.31Å; F296-M317 HydrophobicContact CE2-CE 4.38Å; F296-M317 HydrophobicContact CE2-SD 4.31Å; F296-M317 HydrophobicContact CZ-SD 4.46Å; M317-Y319 HydrophobicContact CB-CD2 4.18Å; M317-Y319 HydrophobicContact CB-CE2 3.46Å; M317-Y319 VanDerWaalsContact CB-CE2 3.46Å; M317-Y319 HydrophobicContact CG-CE2 4.44Å; M317-I332 HydrophobicContact CG-CD1 4.5Å; M317-F351 HydrophobicContact CG-CD1 3.94Å; M317-F351 HydrophobicContact CG-CE1 4.28Å; M317-F351 HydrophobicContact SD-CE1 4.3Å; M317-K352 PolarHBondContact N-O 2.72Å; M317-V353 WeakPolarHBondContact O-CA 3.27Å; M317-G354 PolarHBondContact O-N 3.19Å; M317-V375 HydrophobicContact CB-CG2 4.32Å; M317-V375 HydrophobicContact CE-CG2 3.63Å; M317-M377 HydrophobicContact CE-CB 4.19Å; M317-M377 HydrophobicContact CE-CG 4.43Å; M317-M377 HydrophobicContact CE-SD 4.43Å; M317-M377 HydrophobicContact SD-CB 3.84Å; M317-M377 HydrophobicContact SD-CG 3.53Å; M317-M377 VanDerWaalsContact SD-CG 3.53Å; M317-M377 HydrophobicContact SD-SD 3.73Å
318	L	96.1	Very high	94.5	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	93.8	-177.7	-56.4	176.7	0	0	0	109.8	I238 V250 F255 V375 C376 L378	I238-L318 HydrophobicContact CB-CD1 4.37Å; I238-L318 HydrophobicContact CG1-CD1 3.8Å; V250-L318 HydrophobicContact CG2-CD2 4.15Å; F255-L318 HydrophobicContact CE1-CD1 4.08Å; F255-L318 HydrophobicContact CE1-CD2 4.28Å; F255-L318 HydrophobicContact CZ-CD1 4.09Å; F255-L318 HydrophobicContact CZ-CD2 4.4Å; L318-V375 WeakPolarHBondContact O-CA 3.31Å; L318-C376 HydrophobicContact CB-CB 4.23Å; L318-C376 WeakPolarHBondContact CB-O 3.39Å; L318-C376 PolarHBondContact N-O 3.17Å; L318-C376 PolarHBondContact O-N 2.9Å; L318-L378 HydrophobicContact CD1-CD1 4.11Å; L318-L378 HydrophobicContact CD1-CG 4.5Å
319	Y	97.2	Very high	94.7	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.7	179.1	-64.5	-90.3	0	0	0	111.4	V288 I291 T292 M317 V323 V328 V353 G354 I355 N356 A374 V375	V288-Y319 HydrophobicContact CG1-CD1 4.45Å; V288-Y319 HydrophobicContact CG1-CE1 3.87Å; I291-Y319 HydrophobicContact CD1-CD1 4.27Å; I291-Y319 HydrophobicContact CD1-CE1 4.37Å; T292-Y319 WeakPolarHBondContact OG1-CE1 3.18Å; T292-Y319 PolarHBondContact OG1-OH 3.18Å; M317-Y319 HydrophobicContact CB-CD2 4.18Å; M317-Y319 HydrophobicContact CB-CE2 3.46Å; M317-Y319 VanDerWaalsContact CB-CE2 3.46Å; M317-Y319 HydrophobicContact CG-CE2 4.44Å; Y319-V323 HydrophobicContact CD1-CG1 3.86Å; Y319-V323 HydrophobicContact CD1-CG2 4.22Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å; Y319-V328 HydrophobicContact CD1-CG2 4.3Å; Y319-V328 HydrophobicContact CD2-CG1 4.12Å; Y319-V328 HydrophobicContact CD2-CG2 3.91Å; Y319-V328 HydrophobicContact CE1-CG2 4.19Å; Y319-V328 HydrophobicContact CE2-CB 4.2Å; Y319-V328 HydrophobicContact CE2-CG1 3.35Å; Y319-V328 HydrophobicContact CE2-CG2 3.77Å; Y319-V328 HydrophobicContact CG-CG2 4.18Å; Y319-V353 HydrophobicContact CD2-CG1 4.12Å; Y319-V353 HydrophobicContact CE2-CG1 4.2Å; Y319-G354 PolarHBondContact N-O 3.16Å; Y319-I355 HydrophobicContact CD2-CG1 4.37Å; Y319-N356 PolarHBondContact O-N 3.26Å; Y319-A374 CarbonylContact C-O 3.58Å; Y319-A374 WeakPolarHBondContact CA-O 3.32Å; Y319-V375 HydrophobicContact CD1-CB 3.6Å; Y319-V375 HydrophobicContact CD1-CG2 3.75Å; Y319-V375 HydrophobicContact CD2-CG2 4.25Å; Y319-V375 HydrophobicContact CE1-CB 3.68Å; Y319-V375 HydrophobicContact CE1-CG1 4.24Å; Y319-V375 HydrophobicContact CE1-CG2 3.61Å; Y319-V375 HydrophobicContact CE2-CG2 4.13Å; Y319-V375 HydrophobicContact CG-CB 4.26Å; Y319-V375 HydrophobicContact CG-CG2 4.07Å
320	R	95.4	Very high	95	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.7	175	-62.8	-67.5	-61.9	-97.4	-10.2	109.1	E27 S236 N356 Q358 P360 R373 A374	E27-R320 IonicContact OE1-CZ 3.13Å; E27-R320 IonicContact OE1-NH1 3.81Å; E27-R320 IonicContact OE1-NH2 2.77Å; E27-R320 PolarHBondContact OE1-NH2 3.23Å; S236-R320 PolarHBondContact O-NH1 3.47Å; S236-R320 PolarHBondContact OG-NH1 3.02Å; R320-N356 CarbonylContact C-O 3.56Å; R320-N356 WeakPolarHBondContact CA-O 3.2Å; R320-Q358 PolarHBondContact NE-O 3.47Å; R320-Q358 PolarHBondContact NH2-O 3.22Å; R320-P360 HydrophobicContact CB-CG 3.84Å; R320-P360 HydrophobicContact CG-CG 4.41Å; R320-R373 CarbonylContact O-C 3.58Å; R320-R373 WeakPolarHBondContact O-CA 3.29Å; R320-A374 PolarHBondContact N-O 3.43Å; R320-A374 PolarHBondContact O-N 3.42Å
321	G	94.6	Very high	95.2	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	90.9	-145.1	170.4	0	0	0	0	0	115	V323 N356 Q358 Q372	G321-V323 PolarHBondContact O-N 3.48Å; G321-N356 PolarHBondContact N-O 2.91Å; G321-Q358 PolarHBondContact N-O 2.78Å; G321-Q372 VanDerWaalsContact CA-O 3.27Å; G321-Q372 WeakPolarHBondContact CA-O 3.43Å
322	D	93.7	Very high	95.3	Very high	81 Å²	81	31.9 Å²	31.9	43%	0.433	18%	0.178	S	C	.	.	S	Bend	trans	-78.6	66	-171.4	71.6	-26.9	0	0	0	113.2	Q372 R373	D322-Q372 PolarHBondContact N-O 3.39Å; D322-Q372 VanDerWaalsContact N-O 3.1Å; D322-Q372 VanDerWaalsContact OD1-O 3.09Å; D322-R373 PolarHBondContact O-NE 3.32Å; D322-R373 WeakPolarHBondContact OD1-CB 3.42Å; D322-R373 IonicContact OD1-CZ 3.4Å; D322-R373 IonicContact OD1-NE 2.77Å; D322-R373 PolarHBondContact OD1-NE 3.35Å; D322-R373 IonicContact OD1-NH2 3.25Å; D322-R373 PolarHBondContact OD1-NH2 2.99Å; D322-R373 IonicContact OD2-CZ 3.63Å; D322-R373 IonicContact OD2-NE 2.91Å; D322-R373 IonicContact OD2-NH2 2.71Å; D322-R373 PolarHBondContact OD2-NH2 3.39Å
323	V	94.7	Very high	95.3	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.036	20%	0.2	C	C	.	.			trans	-117.5	129.6	-176.3	178.9	0	0	0	0	110.7	V288 Y319 G321 V328 I355 R373	V288-V323 HydrophobicContact CG1-CG1 4.27Å; V288-V323 HydrophobicContact CG2-CB 4.47Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.22Å; Y319-V323 HydrophobicContact CD1-CG1 3.86Å; Y319-V323 HydrophobicContact CD1-CG2 4.22Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å; G321-V323 PolarHBondContact O-N 3.48Å; V323-V328 HydrophobicContact CG1-CG2 3.29Å; V323-I355 HydrophobicContact CB-CG2 4.31Å; V323-R373 HydrophobicContact CG2-CB 3.77Å
324	V	93.3	Very high	95.3	Very high	81 Å²	81	37.5 Å²	37.5	49%	0.491	22%	0.219	S	C	.	.			trans	-105.3	136.7	179.4	-176.6	0	0	0	0	110.1	K326 D327 V328	V324-K326 HydrophobicContact CG1-CB 4.29Å; V324-K326 PolarHBondContact O-N 3.38Å; V324-D327 PolarHBondContact O-N 2.83Å; V324-V328 PolarHBondContact O-N 2.79Å
325	P	94	Very high	95.4	Very high	55 Å²	55	37 Å²	37	36%	0.357	22%	0.215	S	C	.	.	H	α-helix	trans	-53	-32.7	-178.7	-27.1	31	0	0	0	115	D327 V328 N329 I355	P325-D327 PolarHBondContact O-N 3.16Å; P325-V328 PolarHBondContact O-N 2.66Å; P325-N329 WeakPolarHBondContact O-CB 3Å; P325-N329 VanDerWaalsContact O-CG 3.31Å; P325-N329 PolarHBondContact O-N 3.26Å; P325-N329 PolarHBondContact O-ND2 3.28Å; P325-N329 VanDerWaalsContact O-ND2 3.14Å; P325-I355 HydrophobicContact CB-CD1 4.15Å; P325-I355 HydrophobicContact CG-CD1 3.78Å
326	K	96.2	Very high	95.2	Very high	163 Å²	163	42.2 Å²	42.2	71%	0.709	24%	0.238	S	C	*	.	H	α-helix	trans	-59.2	-46.4	177.5	-175.6	-173.2	177.6	-171.4	0	111.9	V324 N329 A330	V324-K326 HydrophobicContact CG1-CB 4.29Å; V324-K326 PolarHBondContact O-N 3.38Å; K326-N329 PolarHBondContact O-N 3.31Å; K326-A330 PolarHBondContact O-N 2.85Å; K326-A330 VanDerWaalsContact O-N 3.09Å
327	D	96.4	Very high	95.1	Very high	79 Å²	79	47.3 Å²	47.3	42%	0.422	27%	0.269	S	S	.	.	H	α-helix	trans	-72.9	-34.9	-176.6	-61	-22.4	0	0	0	110.7	V288 V324 P325 A330 A331	V288-D327 HydrophobicContact CB-CB 4.02Å; V288-D327 HydrophobicContact CG1-CB 4.27Å; V288-D327 HydrophobicContact CG2-CB 4.05Å; V324-D327 PolarHBondContact O-N 2.83Å; P325-D327 PolarHBondContact O-N 3.16Å; D327-A330 PolarHBondContact O-N 3.29Å; D327-A331 WeakPolarHBondContact O-CB 2.97Å; D327-A331 PolarHBondContact O-N 3.19Å
328	V	96.3	Very high	95	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-48.7	172.6	176.3	0	0	0	0	111.1	V288 Y319 V323 V324 P325 A330 A331 I332 V353 I355	V288-V328 HydrophobicContact CG1-CG2 3.91Å; Y319-V328 HydrophobicContact CD1-CG2 4.3Å; Y319-V328 HydrophobicContact CD2-CG1 4.12Å; Y319-V328 HydrophobicContact CD2-CG2 3.91Å; Y319-V328 HydrophobicContact CE1-CG2 4.19Å; Y319-V328 HydrophobicContact CE2-CB 4.2Å; Y319-V328 HydrophobicContact CE2-CG1 3.35Å; Y319-V328 HydrophobicContact CE2-CG2 3.77Å; Y319-V328 HydrophobicContact CG-CG2 4.18Å; V323-V328 HydrophobicContact CG1-CG2 3.29Å; V324-V328 PolarHBondContact O-N 2.79Å; P325-V328 PolarHBondContact O-N 2.66Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.38Å; V328-A331 PolarHBondContact O-N 2.81Å; V328-I332 HydrophobicContact CG1-CD1 3.71Å; V328-I332 HydrophobicContact CG1-CG1 4.38Å; V328-I332 WeakPolarHBondContact O-CG1 3.27Å; V328-I332 PolarHBondContact O-N 3.17Å; V328-V353 HydrophobicContact CG1-CB 4.47Å; V328-V353 HydrophobicContact CG1-CG1 3.71Å; V328-V353 HydrophobicContact CG1-CG2 3.87Å; V328-I355 HydrophobicContact CG2-CD1 4.11Å
329	N	95.1	Very high	94.7	Very high	103 Å²	103	61.2 Å²	61.2	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-62.2	-39.2	178.9	-73.4	-34.2	0	0	0	112	P325 K326 A333	P325-N329 WeakPolarHBondContact O-CB 3Å; P325-N329 VanDerWaalsContact O-CG 3.31Å; P325-N329 PolarHBondContact O-N 3.26Å; P325-N329 PolarHBondContact O-ND2 3.28Å; P325-N329 VanDerWaalsContact O-ND2 3.14Å; K326-N329 PolarHBondContact O-N 3.31Å; N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.42Å; N329-A333 PolarHBondContact O-N 3.32Å
330	A	97.2	Very high	94.3	Very high	57 Å²	57	65.8 Å²	65.8	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-66.3	-41	175.4	0	0	0	0	0	112.5	K326 D327 V328 A333 T334	K326-A330 PolarHBondContact O-N 2.85Å; K326-A330 VanDerWaalsContact O-N 3.09Å; D327-A330 PolarHBondContact O-N 3.29Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.38Å; A330-A333 PolarHBondContact O-N 2.97Å; A330-T334 PolarHBondContact O-N 2.84Å; A330-T334 VanDerWaalsContact O-N 3.09Å; A330-T334 PolarHBondContact O-OG1 3.36Å
331	A	96.8	Very high	94.1	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-63.7	-47.6	176.1	0	0	0	0	0	111.5	V288 A289 T292 D327 V328 A333 T334 I335	V288-A331 HydrophobicContact CG1-CB 4.45Å; A289-A331 HydrophobicContact CB-CB 4.41Å; T292-A331 HydrophobicContact CG2-CB 4Å; D327-A331 WeakPolarHBondContact O-CB 2.97Å; D327-A331 PolarHBondContact O-N 3.19Å; V328-A331 PolarHBondContact O-N 2.81Å; A331-A333 PolarHBondContact O-N 3.23Å; A331-T334 WeakPolarHBondContact O-CB 3.38Å; A331-T334 PolarHBondContact O-N 3.4Å; A331-T334 VanDerWaalsContact O-N 3.11Å; A331-I335 WeakPolarHBondContact O-CG1 3.2Å; A331-I335 PolarHBondContact O-N 2.93Å
332	I	95.7	Very high	94	Very high	12 Å²	12	71.3 Å²	71.3	6%	0.062	38%	0.376	C	S	.	.	H	α-helix	trans	-62.9	-41.7	177.2	-68.5	170.9	0	0	0	111.3	M317 V328 T334 I335 K336 F351 V353	M317-I332 HydrophobicContact CG-CD1 4.5Å; V328-I332 HydrophobicContact CG1-CD1 3.71Å; V328-I332 HydrophobicContact CG1-CG1 4.38Å; V328-I332 WeakPolarHBondContact O-CG1 3.27Å; V328-I332 PolarHBondContact O-N 3.17Å; I332-T334 PolarHBondContact O-N 3.36Å; I332-I335 WeakPolarHBondContact O-CB 3.14Å; I332-I335 PolarHBondContact O-N 2.96Å; I332-I335 VanDerWaalsContact O-N 3.14Å; I332-K336 WeakPolarHBondContact O-CG 3.36Å; I332-K336 PolarHBondContact O-N 3.29Å; I332-F351 HydrophobicContact CD1-CB 4.45Å; I332-F351 HydrophobicContact CD1-CD1 4.06Å; I332-F351 HydrophobicContact CD1-CG 4.46Å; I332-F351 HydrophobicContact CG1-CD1 4.06Å; I332-F351 HydrophobicContact CG1-CE1 4.27Å; I332-F351 HydrophobicContact CG2-CB 4.22Å; I332-F351 HydrophobicContact CG2-CD1 3.9Å; I332-F351 HydrophobicContact CG2-CD2 3.82Å; I332-F351 HydrophobicContact CG2-CE1 4.15Å; I332-F351 HydrophobicContact CG2-CE2 4.08Å; I332-F351 HydrophobicContact CG2-CG 3.71Å; I332-F351 HydrophobicContact CG2-CZ 4.23Å; I332-V353 HydrophobicContact CD1-CG2 3.39Å
333	A	94.8	Very high	93.9	Very high	57 Å²	57	69.7 Å²	69.7	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-57.5	-40.1	174.7	0	0	0	0	0	111.3	N329 A330 A331 K336 T337	N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.42Å; N329-A333 PolarHBondContact O-N 3.32Å; A330-A333 PolarHBondContact O-N 2.97Å; A331-A333 PolarHBondContact O-N 3.23Å; A333-K336 PolarHBondContact O-N 2.76Å; A333-T337 WeakPolarHBondContact O-CG2 3.34Å; A333-T337 PolarHBondContact O-N 3.14Å
334	T	95.4	Very high	93.8	Very high	66 Å²	66	69.7 Å²	69.7	41%	0.405	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-44.8	175.2	-54.9	0	0	0	0	111.7	A330 A331 I332 K336 T337	A330-T334 PolarHBondContact O-N 2.84Å; A330-T334 VanDerWaalsContact O-N 3.09Å; A330-T334 PolarHBondContact O-OG1 3.36Å; A331-T334 WeakPolarHBondContact O-CB 3.38Å; A331-T334 PolarHBondContact O-N 3.4Å; A331-T334 VanDerWaalsContact O-N 3.11Å; I332-T334 PolarHBondContact O-N 3.36Å; T334-K336 VanDerWaalsContact C-N 3.31Å; T334-K336 PolarHBondContact O-N 2.67Å; T334-T337 PolarHBondContact O-N 2.92Å; T334-T337 PolarHBondContact O-OG1 3.38Å
335	I	94.5	Very high	93.5	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-56.2	-45.3	176.8	-67	-60.2	0	0	0	111.6	T292 N293 F296 A331 I332 T337 K338 I341 F351	T292-I335 HydrophobicContact CG2-CD1 4.47Å; T292-I335 HydrophobicContact CG2-CG1 3.93Å; N293-I335 VanDerWaalsContact OD1-CD1 3.22Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.28Å; F296-I335 HydrophobicContact CD1-CG2 4.37Å; F296-I335 HydrophobicContact CD2-CD1 3.67Å; F296-I335 HydrophobicContact CD2-CG1 4.09Å; F296-I335 HydrophobicContact CD2-CG2 4.08Å; F296-I335 HydrophobicContact CE1-CG2 4.09Å; F296-I335 HydrophobicContact CE2-CD1 4.12Å; F296-I335 HydrophobicContact CE2-CG1 4Å; F296-I335 HydrophobicContact CE2-CG2 3.8Å; F296-I335 HydrophobicContact CG-CD1 4.32Å; F296-I335 HydrophobicContact CG-CG2 4.37Å; F296-I335 HydrophobicContact CZ-CG2 3.81Å; A331-I335 WeakPolarHBondContact O-CG1 3.2Å; A331-I335 PolarHBondContact O-N 2.93Å; I332-I335 WeakPolarHBondContact O-CB 3.14Å; I332-I335 PolarHBondContact O-N 2.96Å; I332-I335 VanDerWaalsContact O-N 3.14Å; I335-T337 PolarHBondContact O-N 2.91Å; I335-T337 VanDerWaalsContact O-N 3.11Å; I335-K338 HydrophobicContact CD1-CD 4.44Å; I335-K338 WeakPolarHBondContact O-CB 3.18Å; I335-K338 PolarHBondContact O-N 3.3Å; I335-I341 HydrophobicContact CD1-CD1 4.07Å; I335-I341 HydrophobicContact CG2-CD1 3.78Å; I335-I341 HydrophobicContact CG2-CG2 4.23Å; I335-F351 HydrophobicContact CB-CZ 4.42Å; I335-F351 HydrophobicContact CG2-CZ 3.74Å
336	K	91.9	Very high	93.1	Very high	110 Å²	110	70.9 Å²	70.9	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-19.6	178.5	-69.5	-174.9	176.9	-164	0	114	I332 A333 T334 F351	I332-K336 WeakPolarHBondContact O-CG 3.36Å; I332-K336 PolarHBondContact O-N 3.29Å; A333-K336 PolarHBondContact O-N 2.76Å; T334-K336 VanDerWaalsContact C-N 3.31Å; T334-K336 PolarHBondContact O-N 2.67Å; K336-F351 HydrophobicContact CG-CE2 4.03Å
337	T	92.5	Very high	92.4	Very high	109 Å²	109	64.5 Å²	64.5	67%	0.669	33%	0.334	S	S	*	.	H	α-helix	trans	-87.3	-13	176.2	68	0	0	0	0	113.9	A333 T334 I335 R339	A333-T337 WeakPolarHBondContact O-CG2 3.34Å; A333-T337 PolarHBondContact O-N 3.14Å; T334-T337 PolarHBondContact O-N 2.92Å; T334-T337 PolarHBondContact O-OG1 3.38Å; I335-T337 PolarHBondContact O-N 2.91Å; I335-T337 VanDerWaalsContact O-N 3.11Å; T337-R339 PolarHBondContact O-N 2.74Å
338	K	92.9	Very high	90.9	Very high	60 Å²	60	65.8 Å²	65.8	26%	0.261	35%	0.347	S	S	.	.			trans	-78.3	114.8	-177.5	-69.3	-170.7	176.3	-174	0	110.7	N293 I335 T340 I341	N293-K338 WeakPolarHBondContact OD1-CE 3.36Å; N293-K338 PolarHBondContact OD1-NZ 2.81Å; I335-K338 HydrophobicContact CD1-CD 4.44Å; I335-K338 WeakPolarHBondContact O-CB 3.18Å; I335-K338 PolarHBondContact O-N 3.3Å; K338-T340 PolarHBondContact O-N 2.73Å; K338-T340 VanDerWaalsContact O-N 3.12Å; K338-I341 HydrophobicContact CB-CB 4.48Å; K338-I341 HydrophobicContact CB-CD1 4.02Å; K338-I341 HydrophobicContact CB-CG1 4.18Å; K338-I341 HydrophobicContact CD-CD1 3.79Å; K338-I341 HydrophobicContact CG-CD1 4.49Å; K338-I341 PolarHBondContact O-N 2.86Å
339	R	89.2	Confident	89.6	Confident	239 Å²	239	71 Å²	71	90%	0.902	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.5	178.4	-62.6	-176	-179.7	-171.1	-1.7	114.8	T337 I341	T337-R339 PolarHBondContact O-N 2.74Å; R339-I341 PolarHBondContact O-N 3.08Å
340	T	89.1	Confident	89	Confident	98 Å²	98	66.2 Å²	66.2	60%	0.601	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.2	177.3	54.9	0	0	0	0	113.1	K338	K338-T340 PolarHBondContact O-N 2.73Å; K338-T340 VanDerWaalsContact O-N 3.12Å
341	I	92.1	Very high	88.7	Confident	16 Å²	16	65.1 Å²	65.1	8%	0.082	34%	0.338	C	S	.	.	S	Bend	trans	-114.8	105.8	-179.3	-56.3	174.9	0	0	0	106.6	F296 Y312 I335 K338 R339 F343	F296-I341 HydrophobicContact CB-CD1 3.55Å; F296-I341 HydrophobicContact CB-CG1 4.3Å; F296-I341 HydrophobicContact CD1-CD1 3.83Å; F296-I341 HydrophobicContact CD1-CG1 4.32Å; F296-I341 HydrophobicContact CD1-CG2 3.72Å; F296-I341 HydrophobicContact CD2-CD1 4.43Å; F296-I341 HydrophobicContact CE1-CG2 3.96Å; F296-I341 HydrophobicContact CG-CD1 3.68Å; Y312-I341 HydrophobicContact CD2-CG2 3.79Å; Y312-I341 HydrophobicContact CE2-CG2 3.79Å; I335-I341 HydrophobicContact CD1-CD1 4.07Å; I335-I341 HydrophobicContact CG2-CD1 3.78Å; I335-I341 HydrophobicContact CG2-CG2 4.23Å; K338-I341 HydrophobicContact CB-CB 4.48Å; K338-I341 HydrophobicContact CB-CD1 4.02Å; K338-I341 HydrophobicContact CB-CG1 4.18Å; K338-I341 HydrophobicContact CD-CD1 3.79Å; K338-I341 HydrophobicContact CG-CD1 4.49Å; K338-I341 PolarHBondContact O-N 2.86Å; R339-I341 PolarHBondContact O-N 3.08Å; I341-F343 HydrophobicContact CG2-CD2 4.36Å; I341-F343 HydrophobicContact CG2-CE2 3.48Å; I341-F343 VanDerWaalsContact CG2-CE2 3.48Å; I341-F343 HydrophobicContact CG2-CZ 3.83Å
342	Q	92.1	Very high	88.5	Confident	104 Å²	104	68 Å²	68	49%	0.486	35%	0.35	S	S	.	.			trans	-100.6	138.2	-177.5	-62.6	-173.8	-9.1	0	0	110.1	K311 Y312	K311-Q342 WeakPolarHBondContact CA-O 3.43Å; K311-Q342 HydrophobicContact CG-CB 4.04Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.23Å; Y312-Q342 PolarHBondContact N-O 2.94Å
343	F	92.2	Very high	88.4	Confident	47 Å²	47	68.3 Å²	68.3	21%	0.206	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-115	153.4	172.9	-67.8	-92.9	0	0	0	108.7	F296 Y312 I341 F351	F296-F343 HydrophobicContact CE1-CZ 4.27Å; Y312-F343 HydrophobicContact CD2-CZ 4.45Å; Y312-F343 HydrophobicContact CG-CE1 4.23Å; Y312-F343 VanDerWaalsContact O-CA 3.26Å; Y312-F343 WeakPolarHBondContact O-CA 3.42Å; I341-F343 HydrophobicContact CG2-CD2 4.36Å; I341-F343 HydrophobicContact CG2-CE2 3.48Å; I341-F343 VanDerWaalsContact CG2-CE2 3.48Å; I341-F343 HydrophobicContact CG2-CZ 3.83Å; F343-F351 HydrophobicContact CE1-CD2 4.3Å; F343-F351 AromaticContact CE1-CE2 3.55Å; F343-F351 HydrophobicContact CE1-CE2 3.55Å; F343-F351 AromaticContact CE1-CZ 3.92Å; F343-F351 HydrophobicContact CE1-CZ 3.92Å; F343-F351 HydrophobicContact CE2-CE2 4.02Å; F343-F351 HydrophobicContact CE2-CZ 4.33Å; F343-F351 HydrophobicContact CZ-CD2 4.4Å; F343-F351 AromaticContact CZ-CE2 3.27Å; F343-F351 HydrophobicContact CZ-CE2 3.27Å; F343-F351 AromaticContact CZ-CZ 3.42Å; F343-F351 HydrophobicContact CZ-CZ 3.42Å; F343-F351 VanDerWaalsContact CZ-CZ 3.42Å
344	V	91.7	Very high	88.3	Confident	6 Å²	6	65.9 Å²	65.9	4%	0.036	33%	0.333	C	S	.	.			trans	-62.5	146.5	167.9	-59.8	0	0	0	0	110.2	K311 Y312 M313 W346 C347	K311-V344 HydrophobicContact CB-CG1 3.88Å; Y312-V344 PolarHBondContact O-N 3.12Å; M313-V344 HydrophobicContact CB-CG2 4.45Å; M313-V344 HydrophobicContact CG-CG1 3.78Å; M313-V344 HydrophobicContact CG-CG2 4.37Å; V344-W346 HydrophobicContact CB-CD2 4.21Å; V344-W346 HydrophobicContact CB-CG 4.43Å; V344-W346 HydrophobicContact CB-CZ2 4.01Å; V344-W346 HydrophobicContact CG1-CZ2 4.04Å; V344-W346 HydrophobicContact CG2-CD2 3.75Å; V344-W346 VanDerWaalsContact CG2-CE2 3.48Å; V344-W346 HydrophobicContact CG2-CE3 4.1Å; V344-W346 HydrophobicContact CG2-CG 4.33Å; V344-W346 HydrophobicContact CG2-CH2 3.94Å; V344-W346 HydrophobicContact CG2-CZ2 3.59Å; V344-W346 HydrophobicContact CG2-CZ3 4.18Å; V344-C347 HydrophobicContact CG2-CB 3.55Å
345	D	87.1	Confident	88.3	Confident	62 Å²	62	62.8 Å²	62.8	33%	0.332	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-31.7	-175.5	61	-15.9	0	0	0	113	C347 S439	D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3.48Å; D345-S439 VanDerWaalsContact OD2-CB 3.29Å; D345-S439 WeakPolarHBondContact OD2-CB 3.47Å; D345-S439 PolarHBondContact OD2-N 3.13Å; D345-S439 PolarHBondContact OD2-OG 3.28Å
346	W	86.6	Confident	88.2	Confident	99 Å²	99	63.1 Å²	63.1	38%	0.375	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.5	179.9	54.3	-101.6	0	0	0	114.3	P261 M313 V344 P348 V435	P261-W346 HydrophobicContact CB-CH2 3.75Å; P261-W346 HydrophobicContact CB-CZ3 4.17Å; P261-W346 HydrophobicContact CG-CH2 4.12Å; M313-W346 HydrophobicContact CB-CH2 4.08Å; M313-W346 HydrophobicContact CB-CZ2 4.41Å; M313-W346 HydrophobicContact CG-CH2 4.02Å; M313-W346 HydrophobicContact CG-CZ2 3.88Å; M313-W346 HydrophobicContact SD-CH2 4.42Å; M313-W346 HydrophobicContact SD-CZ2 4.29Å; V344-W346 HydrophobicContact CB-CD2 4.21Å; V344-W346 HydrophobicContact CB-CG 4.43Å; V344-W346 HydrophobicContact CB-CZ2 4.01Å; V344-W346 HydrophobicContact CG1-CZ2 4.04Å; V344-W346 HydrophobicContact CG2-CD2 3.75Å; V344-W346 VanDerWaalsContact CG2-CE2 3.48Å; V344-W346 HydrophobicContact CG2-CE3 4.1Å; V344-W346 HydrophobicContact CG2-CG 4.33Å; V344-W346 HydrophobicContact CG2-CH2 3.94Å; V344-W346 HydrophobicContact CG2-CZ2 3.59Å; V344-W346 HydrophobicContact CG2-CZ3 4.18Å; W346-P348 VanDerWaalsContact O-CD 3.26Å; W346-P348 WeakPolarHBondContact O-CD 3.48Å; W346-V435 HydrophobicContact CZ2-CB 4.07Å; W346-V435 HydrophobicContact CZ2-CG1 3.85Å; W346-V435 PolarHBondContact NE1-O 3.01Å; W346-V435 VanDerWaalsContact NE1-O 3.14Å
347	C	80.2	Confident	88.2	Confident	28 Å²	28	64.4 Å²	64.4	19%	0.189	32%	0.319	C	S	.	.			trans	-114.6	79.9	176.3	-167.5	0	0	0	0	111.8	M313 V344 D345 T349 G350	M313-C347 PolarHBondContact O-SG 3.46Å; V344-C347 HydrophobicContact CG2-CB 3.55Å; D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3.48Å; C347-T349 PolarHBondContact O-N 3.48Å; C347-G350 PolarHBondContact O-N 3.08Å
348	P	65.1	Low	88.2	Confident	106 Å²	106	62.7 Å²	62.7	69%	0.688	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.9	-175.7	24.9	-34	0	0	0	113.2	W346	W346-P348 VanDerWaalsContact O-CD 3.26Å; W346-P348 WeakPolarHBondContact O-CD 3.48Å
349	T	69.8	Low	88.3	Confident	111 Å²	111	61.4 Å²	61.4	68%	0.681	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	52.6	178.4	57.1	0	0	0	0	111.4	C347 F351	C347-T349 PolarHBondContact O-N 3.48Å; T349-F351 PolarHBondContact O-N 3.48Å
350	G	81.9	Confident	88.5	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.021	26%	0.259	C	S	.	.			trans	-66.1	16.6	-179.2	0	0	0	0	0	116.5	S314 C315 C347	S314-G350 CarbonylContact C-O 3.46Å; C315-G350 PolarHBondContact N-O 3.02Å; C347-G350 PolarHBondContact O-N 3.08Å
351	F	91.8	Very high	88.8	Confident	33 Å²	33	47 Å²	47	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.6	179	-76.1	-94	0	0	0	112.3	F296 C315 M317 I332 I335 K336 F343 T349	F296-F351 HydrophobicContact CE1-CZ 4.41Å; F296-F351 HydrophobicContact CE2-CE1 4.22Å; F296-F351 HydrophobicContact CE2-CZ 4.45Å; F296-F351 AromaticContact CZ-CE1 3.64Å; F296-F351 HydrophobicContact CZ-CE1 3.64Å; F296-F351 AromaticContact CZ-CZ 3.7Å; F296-F351 HydrophobicContact CZ-CZ 3.7Å; C315-F351 HydrophobicContact CB-CD1 3.86Å; C315-F351 HydrophobicContact CB-CE1 3.87Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.43Å; C315-F351 CarbonylContact O-C 3.5Å; C315-F351 VanDerWaalsContact O-CA 3.26Å; C315-F351 WeakPolarHBondContact O-CA 3.48Å; M317-F351 HydrophobicContact CG-CD1 3.94Å; M317-F351 HydrophobicContact CG-CE1 4.28Å; M317-F351 HydrophobicContact SD-CE1 4.3Å; I332-F351 HydrophobicContact CD1-CB 4.45Å; I332-F351 HydrophobicContact CD1-CD1 4.06Å; I332-F351 HydrophobicContact CD1-CG 4.46Å; I332-F351 HydrophobicContact CG1-CD1 4.06Å; I332-F351 HydrophobicContact CG1-CE1 4.27Å; I332-F351 HydrophobicContact CG2-CB 4.22Å; I332-F351 HydrophobicContact CG2-CD1 3.9Å; I332-F351 HydrophobicContact CG2-CD2 3.82Å; I332-F351 HydrophobicContact CG2-CE1 4.15Å; I332-F351 HydrophobicContact CG2-CE2 4.08Å; I332-F351 HydrophobicContact CG2-CG 3.71Å; I332-F351 HydrophobicContact CG2-CZ 4.23Å; I335-F351 HydrophobicContact CB-CZ 4.42Å; I335-F351 HydrophobicContact CG2-CZ 3.74Å; K336-F351 HydrophobicContact CG-CE2 4.03Å; F343-F351 HydrophobicContact CE1-CD2 4.3Å; F343-F351 AromaticContact CE1-CE2 3.55Å; F343-F351 HydrophobicContact CE1-CE2 3.55Å; F343-F351 AromaticContact CE1-CZ 3.92Å; F343-F351 HydrophobicContact CE1-CZ 3.92Å; F343-F351 HydrophobicContact CE2-CE2 4.02Å; F343-F351 HydrophobicContact CE2-CZ 4.33Å; F343-F351 HydrophobicContact CZ-CD2 4.4Å; F343-F351 AromaticContact CZ-CE2 3.27Å; F343-F351 HydrophobicContact CZ-CE2 3.27Å; F343-F351 AromaticContact CZ-CZ 3.42Å; F343-F351 HydrophobicContact CZ-CZ 3.42Å; F343-F351 VanDerWaalsContact CZ-CZ 3.42Å; T349-F351 PolarHBondContact O-N 3.48Å
352	K	92.2	Very high	88.8	Confident	62 Å²	62	47.7 Å²	47.7	27%	0.27	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.7	163.7	-177.3	71	176.8	-157.6	0	108.6	V250 E254 N258 C315 C316 M317	V250-K352 HydrophobicContact CG2-CG 4.47Å; E254-K352 WeakPolarHBondContact OE2-CE 3.09Å; E254-K352 IonicContact OE2-NZ 3.67Å; E254-K352 PolarHBondContact OE2-NZ 2.9Å; N258-K352 HydrophobicContact CB-CB 4.41Å; C315-K352 PolarHBondContact O-N 2.94Å; C316-K352 CarbonylContact C-O 3.4Å; C316-K352 WeakPolarHBondContact CA-O 3.49Å; C316-K352 HydrophobicContact CB-CB 4.45Å; M317-K352 PolarHBondContact N-O 2.72Å
353	V	93.2	Very high	88.8	Confident	19 Å²	19	43.7 Å²	43.7	12%	0.115	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132	-178.3	175.4	0	0	0	0	109.2	L248 M317 Y319 V328 I332 I355	L248-V353 WeakPolarHBondContact CB-O 3.3Å; L248-V353 HydrophobicContact CD1-CB 4.2Å; L248-V353 HydrophobicContact CD1-CG1 4.02Å; M317-V353 WeakPolarHBondContact O-CA 3.27Å; Y319-V353 HydrophobicContact CD2-CG1 4.12Å; Y319-V353 HydrophobicContact CE2-CG1 4.2Å; V328-V353 HydrophobicContact CG1-CB 4.47Å; V328-V353 HydrophobicContact CG1-CG1 3.71Å; V328-V353 HydrophobicContact CG1-CG2 3.87Å; I332-V353 HydrophobicContact CD1-CG2 3.39Å; V353-I355 HydrophobicContact CG1-CD1 4.2Å; V353-I355 HydrophobicContact CG1-CG1 3.9Å
354	G	93.5	Very high	88.6	Confident	6 Å²	6	46.4 Å²	46.4	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.2	164	0	0	0	0	0	110.2	L248 M317 Y319	L248-G354 WeakPolarHBondContact O-CA 3.44Å; M317-G354 PolarHBondContact O-N 3.19Å; Y319-G354 PolarHBondContact N-O 3.16Å
355	I	94.5	Very high	88.4	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	114.2	179.3	-59.2	171	0	0	0	108.8	G246 A247 Y319 V323 P325 V328 V353 Y357	G246-I355 CarbonylContact C-O 3.44Å; G246-I355 WeakPolarHBondContact CA-O 2.93Å; A247-I355 HydrophobicContact CB-CB 4.45Å; A247-I355 PolarHBondContact N-O 2.87Å; A247-I355 PolarHBondContact O-N 3.11Å; Y319-I355 HydrophobicContact CD2-CG1 4.37Å; V323-I355 HydrophobicContact CB-CG2 4.31Å; P325-I355 HydrophobicContact CB-CD1 4.15Å; P325-I355 HydrophobicContact CG-CD1 3.78Å; V328-I355 HydrophobicContact CG2-CD1 4.11Å; V353-I355 HydrophobicContact CG1-CD1 4.2Å; V353-I355 HydrophobicContact CG1-CG1 3.9Å; I355-Y357 HydrophobicContact CG2-CD1 4.4Å; I355-Y357 HydrophobicContact CG2-CE1 4.26Å
356	N	93	Very high	88.4	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.6	172.7	-161.7	-82.6	0	0	0	110.3	A240 F244 D245 Y319 R320 G321 Q358	A240-N356 HydrophobicContact CB-CB 4.15Å; A240-N356 PolarHBondContact O-ND2 3.48Å; F244-N356 WeakPolarHBondContact CB-ND2 3.38Å; F244-N356 WeakPolarHBondContact CB-OD1 3.44Å; F244-N356 PolarHBondContact O-ND2 2.93Å; F244-N356 VanDerWaalsContact O-ND2 3.14Å; D245-N356 PolarHBondContact O-ND2 3.13Å; Y319-N356 PolarHBondContact O-N 3.26Å; R320-N356 CarbonylContact C-O 3.56Å; R320-N356 WeakPolarHBondContact CA-O 3.2Å; G321-N356 PolarHBondContact N-O 2.91Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 3.35Å; N356-Q358 VanDerWaalsContact OD1-CB 3.25Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.4Å; N356-Q358 PolarHBondContact OD1-N 3.45Å
357	Y	91.9	Very high	88.5	Confident	137 Å²	137	45.7 Å²	45.7	54%	0.537	28%	0.278	S	S	.	.	S	Bend	trans	-75.8	-16.1	-176.4	-57.1	-46.6	0	0	0	113.4	A247 I355 P359	A247-Y357 WeakPolarHBondContact CB-OH 3.39Å; I355-Y357 HydrophobicContact CG2-CD1 4.4Å; I355-Y357 HydrophobicContact CG2-CE1 4.26Å; Y357-P359 WeakPolarHBondContact O-CD 3.35Å
358	Q	92.2	Very high	89	Confident	74 Å²	74	45.4 Å²	45.4	35%	0.346	27%	0.274	S	S	.	.	S	Bend	trans	-76.5	118.5	177.2	-172.5	64	9.2	0	0	109.9	F244 R320 G321 N356	F244-Q358 HydrophobicContact CB-CB 4.41Å; F244-Q358 HydrophobicContact CD2-CB 4.19Å; F244-Q358 HydrophobicContact CD2-CG 4.34Å; F244-Q358 HydrophobicContact CE2-CG 4.37Å; F244-Q358 HydrophobicContact CG-CB 4.16Å; F244-Q358 HydrophobicContact CG-CG 4.47Å; R320-Q358 PolarHBondContact NE-O 3.47Å; R320-Q358 PolarHBondContact NH2-O 3.22Å; G321-Q358 PolarHBondContact N-O 2.78Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 3.35Å; N356-Q358 VanDerWaalsContact OD1-CB 3.25Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.4Å; N356-Q358 PolarHBondContact OD1-N 3.45Å
359	P	94.2	Very high	90.2	Very high	32 Å²	32	40.8 Å²	40.8	21%	0.208	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.8	158.6	174.8	27.8	-34.6	0	0	0	110.9	Y357 T361	Y357-P359 WeakPolarHBondContact O-CD 3.35Å; P359-T361 PolarHBondContact O-N 2.83Å
360	P	94.6	Very high	91.3	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.019	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-59	138.4	174.9	-20.3	32	0	0	0	111.5	Y272 R320 V371 A374	Y272-P360 WeakPolarHBondContact OH-CB 3.31Å; Y272-P360 WeakPolarHBondContact OH-CG 3.47Å; R320-P360 HydrophobicContact CB-CG 3.84Å; R320-P360 HydrophobicContact CG-CG 4.41Å; P360-V371 HydrophobicContact CB-CG2 4.34Å; P360-V371 HydrophobicContact CG-CG2 3.93Å; P360-A374 HydrophobicContact CG-CB 3.49Å; P360-A374 VanDerWaalsContact CG-CB 3.49Å
361	T	94.8	Very high	91.8	Very high	31 Å²	31	43.3 Å²	43.3	19%	0.19	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-93.8	149	171	-63.2	0	0	0	0	109.5	L23 L26 E27 Q233 P359	L23-T361 HydrophobicContact CD1-CG2 4.1Å; L23-T361 WeakPolarHBondContact CD1-O 3.36Å; L26-T361 HydrophobicContact CB-CG2 3.75Å; E27-T361 HydrophobicContact CG-CG2 4.27Å; E27-T361 WeakPolarHBondContact CG-OG1 3.49Å; Q233-T361 PolarHBondContact NE2-O 2.91Å; P359-T361 PolarHBondContact O-N 2.83Å
362	V	92.1	Very high	91.8	Very high	31 Å²	31	47.3 Å²	47.3	19%	0.188	27%	0.266	C	S	.	.			trans	-124.1	149.3	176.1	-65.1	0	0	0	0	110	P364 L368 A369 K370	V362-P364 WeakPolarHBondContact O-CD 3.4Å; V362-L368 HydrophobicContact CG1-CB 3.91Å; V362-A369 WeakPolarHBondContact CG1-O 3.26Å; V362-K370 HydrophobicContact CG2-CB 4.12Å
363	V	91.9	Very high	91.9	Very high	20 Å²	20	47.3 Å²	47.3	12%	0.121	27%	0.265	C	S	.	.			trans	-68.6	126	175.9	-177.3	0	0	0	0	108.8	E22 L26 G365 G366	E22-V363 HydrophobicContact CG-CG1 4.39Å; E22-V363 HydrophobicContact CG-CG2 3.85Å; L26-V363 HydrophobicContact CD1-CB 4.32Å; L26-V363 HydrophobicContact CD1-CG1 4.5Å; L26-V363 HydrophobicContact CD1-CG2 4.04Å; V363-G365 PolarHBondContact O-N 3.12Å; V363-G366 WeakPolarHBondContact O-CA 3.43Å; V363-G366 PolarHBondContact O-N 3.42Å
364	P	89.4	Confident	92.1	Very high	104 Å²	104	46.4 Å²	46.4	68%	0.675	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	131.1	176.4	-26.4	35	0	0	0	111.9	V362 G366	V362-P364 WeakPolarHBondContact O-CD 3.4Å; P364-G366 PolarHBondContact O-N 2.63Å
365	G	86.1	Confident	92.3	Very high	90 Å²	90	46.1 Å²	46.1	93%	0.928	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	8.8	-175.3	0	0	0	0	0	114.6	V363	V363-G365 PolarHBondContact O-N 3.12Å
366	G	87	Confident	92.4	Very high	14 Å²	14	46 Å²	46	14%	0.144	26%	0.256	C	S	.	.	S	Bend	trans	-79.7	175.2	171	0	0	0	0	0	113.2	V363 P364	V363-G366 WeakPolarHBondContact O-CA 3.43Å; V363-G366 PolarHBondContact O-N 3.42Å; P364-G366 PolarHBondContact O-N 2.63Å
367	D	89	Confident	92.6	Very high	49 Å²	49	45.8 Å²	45.8	26%	0.262	25%	0.254	S	S	.	.	S	Bend	trans	-82.6	-24.2	-172.1	-40.9	-85.8	0	0	0	113.4	L217 I219 N226 R229 S277 A278	L217-D367 HydrophobicContact CD1-CB 4.36Å; I219-D367 HydrophobicContact CD1-CB 3.9Å; N226-D367 PolarHBondContact ND2-OD1 3.49Å; N226-D367 PolarHBondContact ND2-OD2 2.8Å; R229-D367 IonicContact NH1-OD2 3.79Å; R229-D367 PolarHBondContact NH1-OD2 2.94Å; S277-D367 WeakPolarHBondContact CA-O 3.47Å; A278-D367 PolarHBondContact N-O 3.17Å; A278-D367 VanDerWaalsContact N-O 3.12Å
368	L	91.5	Very high	92.8	Very high	21 Å²	21	39.2 Å²	39.2	11%	0.11	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-81.4	132.6	-180	-70.1	167.8	0	0	0	110.6	L217 L230 Q233 V275 V362	L217-L368 HydrophobicContact CD1-CD2 4.22Å; L217-L368 HydrophobicContact CD2-CD2 3.9Å; L230-L368 HydrophobicContact CD1-CD2 4.49Å; Q233-L368 HydrophobicContact CG-CD1 3.75Å; V275-L368 HydrophobicContact CG1-CD2 4.2Å; V362-L368 HydrophobicContact CG1-CB 3.91Å
369	A	90.6	Very high	92.9	Very high	9 Å²	9	35.7 Å²	35.7	7%	0.074	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-75.6	153.9	173.7	0	0	0	0	0	113	I276 A281 V362 V371	I276-A369 HydrophobicContact CG2-CB 3.94Å; I276-A369 PolarHBondContact O-N 2.69Å; A281-A369 HydrophobicContact CB-CB 3.29Å; V362-A369 WeakPolarHBondContact CG1-O 3.26Å; A369-V371 PolarHBondContact O-N 3.27Å
370	K	91	Very high	93	Very high	150 Å²	150	34.2 Å²	34.2	65%	0.652	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-69.3	125.1	167.4	-172.7	174.9	-176.7	175.4	0	109.7	V362	V362-K370 HydrophobicContact CG2-CB 4.12Å
371	V	92.5	Very high	93	Very high	17 Å²	17	34 Å²	34	10%	0.103	20%	0.201	C	C	.	.			trans	-120.1	149.5	178.5	-63.2	0	0	0	0	110.7	P274 I276 P360 A369 R373 A374	P274-V371 HydrophobicContact CG-CG1 4.06Å; I276-V371 HydrophobicContact CG2-CG1 3.83Å; P360-V371 HydrophobicContact CB-CG2 4.34Å; P360-V371 HydrophobicContact CG-CG2 3.93Å; A369-V371 PolarHBondContact O-N 3.27Å; V371-R373 WeakPolarHBondContact CG2-O 3.2Å; V371-A374 HydrophobicContact CG2-CB 4.31Å
372	Q	92.5	Very high	93	Very high	117 Å²	117	33.3 Å²	33.3	55%	0.547	20%	0.197	S	C	.	.	S	Bend	trans	-81.2	-21.9	177.7	-62.3	-57.5	-41.2	0	0	112.7	G321 D322	G321-Q372 VanDerWaalsContact CA-O 3.27Å; G321-Q372 WeakPolarHBondContact CA-O 3.43Å; D322-Q372 PolarHBondContact N-O 3.39Å; D322-Q372 VanDerWaalsContact N-O 3.1Å; D322-Q372 VanDerWaalsContact OD1-O 3.09Å
373	R	95.1	Very high	93.2	Very high	62 Å²	62	32 Å²	32	23%	0.234	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.5	175.2	60.5	-172	76.7	142.4	-6.7	112.1	F286 I291 R320 D322 V323 V371	F286-R373 WeakPolarHBondContact O-CD 3.31Å; F286-R373 PolarHBondContact O-NH1 2.83Å; I291-R373 HydrophobicContact CD1-CB 4.47Å; I291-R373 HydrophobicContact CD1-CG 4.13Å; R320-R373 CarbonylContact O-C 3.58Å; R320-R373 WeakPolarHBondContact O-CA 3.29Å; D322-R373 PolarHBondContact O-NE 3.32Å; D322-R373 WeakPolarHBondContact OD1-CB 3.42Å; D322-R373 IonicContact OD1-CZ 3.4Å; D322-R373 IonicContact OD1-NE 2.77Å; D322-R373 PolarHBondContact OD1-NE 3.35Å; D322-R373 IonicContact OD1-NH2 3.25Å; D322-R373 PolarHBondContact OD1-NH2 2.99Å; D322-R373 IonicContact OD2-CZ 3.63Å; D322-R373 IonicContact OD2-NE 2.91Å; D322-R373 IonicContact OD2-NH2 2.71Å; D322-R373 PolarHBondContact OD2-NH2 3.39Å; V323-R373 HydrophobicContact CG2-CB 3.77Å; V371-R373 WeakPolarHBondContact CG2-O 3.2Å
374	A	96.5	Very high	93.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	170.6	169	0	0	0	0	0	110.1	Y272 S273 Y319 R320 P360 V371	Y272-A374 HydrophobicContact CE1-CB 4.19Å; Y272-A374 HydrophobicContact CE2-CB 4.21Å; Y272-A374 WeakPolarHBondContact OH-CB 3.35Å; S273-A374 CarbonylContact O-C 3.49Å; S273-A374 VanDerWaalsContact O-CA 3.23Å; S273-A374 WeakPolarHBondContact O-CA 3.48Å; S273-A374 WeakPolarHBondContact O-CB 3.32Å; Y319-A374 CarbonylContact C-O 3.58Å; Y319-A374 WeakPolarHBondContact CA-O 3.32Å; R320-A374 PolarHBondContact N-O 3.43Å; R320-A374 PolarHBondContact O-N 3.42Å; P360-A374 HydrophobicContact CG-CB 3.49Å; P360-A374 VanDerWaalsContact CG-CB 3.49Å; V371-A374 HydrophobicContact CG2-CB 4.31Å
375	V	97.4	Very high	93.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.4	173.2	58.3	0	0	0	0	109.6	S273 I291 C295 M317 L318 Y319	S273-V375 PolarHBondContact N-O 3.32Å; S273-V375 PolarHBondContact O-N 2.94Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.25Å; I291-V375 HydrophobicContact CD1-CG1 3.96Å; I291-V375 HydrophobicContact CG1-CB 4.49Å; I291-V375 HydrophobicContact CG1-CG1 3.72Å; C295-V375 VanDerWaalsContact SG-CG1 3.55Å; M317-V375 HydrophobicContact CB-CG2 4.32Å; M317-V375 HydrophobicContact CE-CG2 3.63Å; L318-V375 WeakPolarHBondContact O-CA 3.31Å; Y319-V375 HydrophobicContact CD1-CB 3.6Å; Y319-V375 HydrophobicContact CD1-CG2 3.75Å; Y319-V375 HydrophobicContact CD2-CG2 4.25Å; Y319-V375 HydrophobicContact CE1-CB 3.68Å; Y319-V375 HydrophobicContact CE1-CG1 4.24Å; Y319-V375 HydrophobicContact CE1-CG2 3.61Å; Y319-V375 HydrophobicContact CE2-CG2 4.13Å; Y319-V375 HydrophobicContact CG-CB 4.26Å; Y319-V375 HydrophobicContact CG-CG2 4.07Å
376	C	97.2	Very high	93.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.4	165	-178.8	0	0	0	0	107.9	S237 T271 Y272 L318	S237-C376 VanDerWaalsContact CB-CB 3.42Å; T271-C376 CarbonylContact O-C 3.58Å; T271-C376 WeakPolarHBondContact O-CA 3.32Å; Y272-C376 HydrophobicContact CD2-CB 4.04Å; L318-C376 HydrophobicContact CB-CB 4.23Å; L318-C376 WeakPolarHBondContact CB-O 3.39Å; L318-C376 PolarHBondContact N-O 3.17Å; L318-C376 PolarHBondContact O-N 2.9Å
377	M	96.9	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.3	172.4	-179.3	176.9	79.2	0	0	109.1	A270 T271 C295 F296 Y312 C316 M317	A270-M377 CarbonylContact C-O 3.52Å; A270-M377 WeakPolarHBondContact CA-O 3.46Å; T271-M377 PolarHBondContact N-O 3.22Å; T271-M377 PolarHBondContact O-N 2.75Å; C295-M377 HydrophobicContact CB-CB 3.94Å; C295-M377 HydrophobicContact CB-CE 4.23Å; C295-M377 HydrophobicContact CB-SD 4.04Å; C295-M377 WeakPolarHBondContact O-CE 3.29Å; F296-M377 HydrophobicContact CD1-CE 4.37Å; F296-M377 HydrophobicContact CD1-SD 4.26Å; F296-M377 HydrophobicContact CD2-SD 4.18Å; F296-M377 HydrophobicContact CE1-CE 4.31Å; F296-M377 HydrophobicContact CE1-SD 3.74Å; F296-M377 HydrophobicContact CE2-SD 3.63Å; F296-M377 HydrophobicContact CG-SD 4.46Å; F296-M377 HydrophobicContact CZ-CE 4.47Å; F296-M377 HydrophobicContact CZ-SD 3.37Å; F296-M377 WeakPolarHBondContact CZ-SD 3.29Å; Y312-M377 HydrophobicContact CE1-CE 4.43Å; C316-M377 WeakPolarHBondContact O-CA 3.17Å; M317-M377 HydrophobicContact CE-CB 4.19Å; M317-M377 HydrophobicContact CE-CG 4.43Å; M317-M377 HydrophobicContact CE-SD 4.43Å; M317-M377 HydrophobicContact SD-CB 3.84Å; M317-M377 HydrophobicContact SD-CG 3.53Å; M317-M377 VanDerWaalsContact SD-CG 3.53Å; M317-M377 HydrophobicContact SD-SD 3.73Å
378	L	95.9	Very high	94.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.8	165.6	-53.7	175.4	0	0	0	107.4	F202 I238 F255 L259 L269 A270 C315 C316 L318	F202-L378 HydrophobicContact CD1-CD1 3.91Å; F202-L378 HydrophobicContact CD1-CD2 3.94Å; F202-L378 HydrophobicContact CD1-CG 4.37Å; F202-L378 HydrophobicContact CE1-CB 4.47Å; F202-L378 HydrophobicContact CE1-CD1 3.34Å; F202-L378 HydrophobicContact CE1-CD2 4.26Å; F202-L378 HydrophobicContact CE1-CG 4.2Å; F202-L378 HydrophobicContact CZ-CD1 3.83Å; I238-L378 HydrophobicContact CD1-CD1 3.87Å; I238-L378 HydrophobicContact CD1-CD2 3.82Å; I238-L378 HydrophobicContact CD1-CG 4.4Å; I238-L378 HydrophobicContact CG1-CD1 3.66Å; I238-L378 HydrophobicContact CG1-CD2 4.24Å; I238-L378 HydrophobicContact CG1-CG 4.36Å; F255-L378 HydrophobicContact CD1-CD1 3.94Å; F255-L378 HydrophobicContact CE1-CD1 3.66Å; F255-L378 HydrophobicContact CZ-CD1 4.45Å; L259-L378 HydrophobicContact CD1-CB 3.84Å; L259-L378 HydrophobicContact CD1-CD1 4.19Å; L259-L378 HydrophobicContact CD2-CB 4.43Å; L259-L378 WeakPolarHBondContact CD2-O 3.25Å; L269-L378 WeakPolarHBondContact O-CA 3.41Å; A270-L378 HydrophobicContact CB-CD2 4.08Å; C315-L378 CarbonylContact C-O 3.47Å; C315-L378 WeakPolarHBondContact CA-O 3.4Å; C316-L378 HydrophobicContact CB-CB 4.3Å; C316-L378 PolarHBondContact N-O 2.86Å; C316-L378 PolarHBondContact O-N 2.81Å; L318-L378 HydrophobicContact CD1-CD1 4.11Å; L318-L378 HydrophobicContact CD1-CG 4.5Å
379	S	95.3	Very high	94.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	123.3	-175	59.5	0	0	0	0	111.6	P268 L269 S314	P268-S379 WeakPolarHBondContact CA-O 3.39Å; L269-S379 PolarHBondContact N-O 3.17Å; L269-S379 PolarHBondContact O-N 3.37Å; S314-S379 CarbonylContact O-C 3.58Å; S314-S379 VanDerWaalsContact O-CA 3.24Å; S314-S379 WeakPolarHBondContact O-CA 3.33Å
380	N	95	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.2	168.7	-159.8	-10.1	0	0	0	108.5	L259 I265 P268 M313 S314	L259-N380 VanDerWaalsContact O-CB 3.23Å; L259-N380 WeakPolarHBondContact O-CB 3.47Å; L259-N380 PolarHBondContact O-ND2 3.21Å; I265-N380 PolarHBondContact O-ND2 3.31Å; P268-N380 HydrophobicContact CG-CB 4.46Å; M313-N380 HydrophobicContact CE-CB 4.2Å; M313-N380 WeakPolarHBondContact CE-OD1 3.33Å; M313-N380 PolarHBondContact N-O 2.88Å; S314-N380 PolarHBondContact N-O 3.14Å; S314-N380 PolarHBondContact O-N 3.17Å
381	T	95	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143	-173.9	177	0	0	0	0	110.7	L269 K311 A383 I384	L269-T381 HydrophobicContact CD1-CG2 3.35Å; L269-T381 HydrophobicContact CG-CG2 3.91Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.33Å; K311-T381 PolarHBondContact O-OG1 3.34Å; T381-A383 HydrophobicContact CG2-CB 4.06Å; T381-A383 PolarHBondContact O-N 3.44Å; T381-A383 PolarHBondContact OG1-N 3.32Å; T381-I384 WeakPolarHBondContact O-CG2 3.41Å; T381-I384 PolarHBondContact O-N 2.91Å
382	T	95.4	Very high	94.9	Very high	16 Å²	16	19.1 Å²	19.1	10%	0.098	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-66.7	-12.9	175.5	64.6	0	0	0	0	113	G310 K311 M313 I384 A385 Y432 V435	G310-T382 VanDerWaalsContact CA-OG1 3.27Å; G310-T382 WeakPolarHBondContact CA-OG1 3.23Å; K311-T382 PolarHBondContact N-OG1 3.06Å; K311-T382 PolarHBondContact O-N 3.14Å; M313-T382 HydrophobicContact CE-CG2 4.13Å; M313-T382 HydrophobicContact SD-CG2 4.43Å; T382-I384 PolarHBondContact O-N 3.39Å; T382-I384 VanDerWaalsContact O-N 3.13Å; T382-A385 WeakPolarHBondContact O-CB 3.41Å; T382-A385 PolarHBondContact O-N 2.82Å; T382-Y432 VanDerWaalsContact CG2-O 3.22Å; T382-Y432 WeakPolarHBondContact CG2-O 3.46Å; T382-V435 HydrophobicContact CG2-CG2 4.28Å
383	A	95	Very high	95	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.033	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-62.1	-19.9	175.1	0	0	0	0	0	113.4	C305 D306 T381 A385 E386	C305-A383 WeakPolarHBondContact CB-O 3.38Å; D306-A383 WeakPolarHBondContact O-CB 3.38Å; T381-A383 HydrophobicContact CG2-CB 4.06Å; T381-A383 PolarHBondContact O-N 3.44Å; T381-A383 PolarHBondContact OG1-N 3.32Å; A383-A385 PolarHBondContact O-N 2.91Å; A383-E386 WeakPolarHBondContact O-CB 3.17Å; A383-E386 PolarHBondContact O-N 3.45Å
384	I	95	Very high	95	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.8	175.2	-162.9	49.6	0	0	0	112.4	L269 V303 T381 T382 E386 A387 W388 Y432	L269-I384 HydrophobicContact CD2-CB 4.24Å; L269-I384 HydrophobicContact CD2-CD1 3.48Å; L269-I384 VanDerWaalsContact CD2-CD1 3.48Å; L269-I384 HydrophobicContact CD2-CG1 3.96Å; V303-I384 HydrophobicContact CG1-CD1 4Å; T381-I384 WeakPolarHBondContact O-CG2 3.41Å; T381-I384 PolarHBondContact O-N 2.91Å; T382-I384 PolarHBondContact O-N 3.39Å; T382-I384 VanDerWaalsContact O-N 3.13Å; I384-E386 PolarHBondContact O-N 3.43Å; I384-A387 HydrophobicContact CD1-CB 3.74Å; I384-A387 WeakPolarHBondContact O-CB 3.41Å; I384-A387 PolarHBondContact O-N 3.39Å; I384-W388 VanDerWaalsContact C-CD1 3.46Å; I384-W388 PolarHBondContact O-N 2.84Å; I384-W388 PolarHBondContact O-NE1 3.17Å; I384-Y432 HydrophobicContact CG2-CD1 3.77Å; I384-Y432 HydrophobicContact CG2-CD2 4.3Å; I384-Y432 HydrophobicContact CG2-CE1 3.32Å; I384-Y432 HydrophobicContact CG2-CE2 3.97Å; I384-Y432 HydrophobicContact CG2-CG 4.23Å; I384-Y432 VanDerWaalsContact CG2-CZ 3.47Å
385	A	93.6	Very high	95	Very high	22 Å²	22	20.8 Å²	20.8	18%	0.182	10%	0.103	C	C	.	.	H	α-helix	trans	-42.3	-40.3	168.3	0	0	0	0	0	112.4	T382 A383 A387 W388 A389	T382-A385 WeakPolarHBondContact O-CB 3.41Å; T382-A385 PolarHBondContact O-N 2.82Å; A383-A385 PolarHBondContact O-N 2.91Å; A385-A387 VanDerWaalsContact C-N 3.28Å; A385-A387 PolarHBondContact O-N 2.8Å; A385-W388 PolarHBondContact O-N 3.01Å; A385-A389 PolarHBondContact O-N 2.99Å
386	E	92.7	Very high	95	Very high	58 Å²	58	24 Å²	24	27%	0.271	12%	0.119	S	C	.	.	H	α-helix	trans	-63.7	-32.2	179.7	-161.4	-170.3	131	0	0	112.9	R309 A383 I384 R390	R309-E386 IonicContact CZ-OE2 3.98Å; R309-E386 IonicContact NH1-OE1 2.72Å; R309-E386 IonicContact NH1-OE2 3.17Å; R309-E386 PolarHBondContact NH1-OE2 3.19Å; A383-E386 WeakPolarHBondContact O-CB 3.17Å; A383-E386 PolarHBondContact O-N 3.45Å; I384-E386 PolarHBondContact O-N 3.43Å; E386-R390 VanDerWaalsContact O-CG 3.27Å; E386-R390 WeakPolarHBondContact O-CG 3.32Å; E386-R390 PolarHBondContact O-N 2.73Å; E386-R390 PolarHBondContact O-NE 3.3Å; E386-R390 IonicContact OE1-NH1 3.97Å; E386-R390 PolarHBondContact OE1-NH1 3.11Å
387	A	93.4	Very high	94.9	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-71.9	-42.8	178.5	0	0	0	0	0	112.1	Y172 I384 A385 L391	Y172-A387 HydrophobicContact CE1-CB 4.17Å; I384-A387 HydrophobicContact CD1-CB 3.74Å; I384-A387 WeakPolarHBondContact O-CB 3.41Å; I384-A387 PolarHBondContact O-N 3.39Å; A385-A387 VanDerWaalsContact C-N 3.28Å; A385-A387 PolarHBondContact O-N 2.8Å; A387-L391 PolarHBondContact O-N 3.08Å
388	W	94.3	Very high	94.9	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-50.1	175.5	-51.3	105.5	0	0	0	110.7	Y172 T191 F267 I384 A385 R390 L391 D392 L425 L428 E429 Y432	Y172-W388 HydrophobicContact CE2-CZ3 4.11Å; Y172-W388 AromaticContact CZ-CZ3 3.98Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.41Å; T191-W388 HydrophobicContact CG2-CE3 4.49Å; T191-W388 HydrophobicContact CG2-CH2 3.71Å; T191-W388 HydrophobicContact CG2-CZ3 3.4Å; F267-W388 HydrophobicContact CB-CZ2 4.12Å; F267-W388 AromaticContact CD1-CH2 3.81Å; F267-W388 HydrophobicContact CD1-CH2 3.81Å; F267-W388 AromaticContact CD1-CZ2 3.97Å; F267-W388 HydrophobicContact CD1-CZ2 3.97Å; F267-W388 AromaticContact CD2-CH2 3.81Å; F267-W388 HydrophobicContact CD2-CH2 3.81Å; F267-W388 AromaticContact CD2-CZ2 3.48Å; F267-W388 HydrophobicContact CD2-CZ2 3.48Å; F267-W388 VanDerWaalsContact CD2-CZ2 3.48Å; F267-W388 AromaticContact CE1-CH2 3.68Å; F267-W388 HydrophobicContact CE1-CH2 3.68Å; F267-W388 HydrophobicContact CE1-CZ2 4.26Å; F267-W388 AromaticContact CE2-CH2 3.66Å; F267-W388 HydrophobicContact CE2-CH2 3.66Å; F267-W388 AromaticContact CE2-CZ2 3.79Å; F267-W388 HydrophobicContact CE2-CZ2 3.79Å; F267-W388 AromaticContact CG-CH2 3.87Å; F267-W388 HydrophobicContact CG-CH2 3.87Å; F267-W388 AromaticContact CG-CZ2 3.57Å; F267-W388 HydrophobicContact CG-CZ2 3.57Å; F267-W388 AromaticContact CZ-CH2 3.6Å; F267-W388 HydrophobicContact CZ-CH2 3.6Å; F267-W388 HydrophobicContact CZ-CZ2 4.18Å; I384-W388 VanDerWaalsContact C-CD1 3.46Å; I384-W388 PolarHBondContact O-N 2.84Å; I384-W388 PolarHBondContact O-NE1 3.17Å; A385-W388 PolarHBondContact O-N 3.01Å; W388-R390 PolarHBondContact O-N 3.49Å; W388-R390 VanDerWaalsContact O-N 3.11Å; W388-L391 WeakPolarHBondContact O-CA 3.44Å; W388-L391 VanDerWaalsContact O-CB 3.28Å; W388-L391 WeakPolarHBondContact O-CB 3.35Å; W388-L391 PolarHBondContact O-N 3.27Å; W388-D392 PolarHBondContact O-N 3.11Å; W388-L425 HydrophobicContact CD2-CD1 3.86Å; W388-L425 HydrophobicContact CE3-CD1 3.04Å; W388-L425 HydrophobicContact CE3-CD2 3.92Å; W388-L425 HydrophobicContact CE3-CG 3.95Å; W388-L425 HydrophobicContact CH2-CD1 4.36Å; W388-L425 HydrophobicContact CZ3-CD1 3.35Å; W388-L428 HydrophobicContact CD2-CD2 4.3Å; W388-L428 HydrophobicContact CE3-CD2 4.32Å; W388-L428 HydrophobicContact CH2-CD2 3.59Å; W388-L428 HydrophobicContact CZ2-CD2 3.61Å; W388-L428 HydrophobicContact CZ3-CD2 3.98Å; W388-E429 HydrophobicContact CB-CG 3.57Å; W388-E429 WeakPolarHBondContact CB-OE1 3.42Å; W388-E429 HydrophobicContact CG-CG 4.33Å; W388-Y432 AromaticContact NE1-CE2 3.89Å
389	A	94.2	Very high	94.9	Very high	46 Å²	46	32 Å²	32	38%	0.38	16%	0.157	S	C	.	.	H	α-helix	trans	-60.8	-33.8	-175.8	0	0	0	0	0	112.7	A385 Y393 E429	A385-A389 PolarHBondContact O-N 2.99Å; A389-Y393 WeakPolarHBondContact O-CB 3.29Å; A389-Y393 PolarHBondContact O-N 3.38Å; A389-Y393 VanDerWaalsContact O-N 3.07Å; A389-E429 WeakPolarHBondContact CA-OE1 3.38Å; A389-E429 PolarHBondContact N-OE1 3.15Å
390	R	93.3	Very high	95	Very high	61 Å²	61	36.1 Å²	36.1	23%	0.23	19%	0.192	C	C	.	.	H	α-helix	trans	-70.8	-37	174.3	-70.2	-178.1	-46.2	-122.2	4.2	112.5	K304 E386 W388 K394	K304-R390 VanDerWaalsContact O-CZ 3.24Å; K304-R390 PolarHBondContact O-NH1 3Å; K304-R390 PolarHBondContact O-NH2 3.48Å; E386-R390 VanDerWaalsContact O-CG 3.27Å; E386-R390 WeakPolarHBondContact O-CG 3.32Å; E386-R390 PolarHBondContact O-N 2.73Å; E386-R390 PolarHBondContact O-NE 3.3Å; E386-R390 IonicContact OE1-NH1 3.97Å; E386-R390 PolarHBondContact OE1-NH1 3.11Å; W388-R390 PolarHBondContact O-N 3.49Å; W388-R390 VanDerWaalsContact O-N 3.11Å; R390-K394 WeakPolarHBondContact O-CG 3.32Å; R390-K394 PolarHBondContact O-N 3.45Å
391	L	93.7	Very high	95.1	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-67.7	-46	177.8	-170.2	65.2	0	0	0	110.3	Y172 P173 P184 I188 A387 W388 Y393 K394 F395 L425	Y172-L391 HydrophobicContact CE1-CD2 4.45Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.22Å; P173-L391 HydrophobicContact CB-CD1 4.18Å; P173-L391 HydrophobicContact CG-CD1 4.04Å; P184-L391 HydrophobicContact CB-CD1 4.08Å; I188-L391 HydrophobicContact CD1-CD2 4.4Å; I188-L391 HydrophobicContact CD1-CG 4.1Å; I188-L391 HydrophobicContact CG1-CD2 3.87Å; I188-L391 HydrophobicContact CG1-CG 4.11Å; A387-L391 PolarHBondContact O-N 3.08Å; W388-L391 WeakPolarHBondContact O-CA 3.44Å; W388-L391 VanDerWaalsContact O-CB 3.28Å; W388-L391 WeakPolarHBondContact O-CB 3.35Å; W388-L391 PolarHBondContact O-N 3.27Å; L391-Y393 PolarHBondContact O-N 2.55Å; L391-K394 PolarHBondContact O-N 3.47Å; L391-K394 VanDerWaalsContact O-N 3.14Å; L391-F395 WeakPolarHBondContact O-CB 3.27Å; L391-F395 PolarHBondContact O-N 3.13Å; L391-L425 HydrophobicContact CD2-CD2 4.23Å
392	D	95.5	Very high	95.1	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-53.9	-50.2	173.9	-93.3	-2.1	0	0	0	112.1	W388 K394 F395 D396 R422 L425	W388-D392 PolarHBondContact O-N 3.11Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.42Å; D392-F395 WeakPolarHBondContact O-CB 3.41Å; D392-F395 PolarHBondContact O-N 3.02Å; D392-F395 VanDerWaalsContact O-N 3.17Å; D392-D396 WeakPolarHBondContact O-CB 3.01Å; D392-D396 PolarHBondContact O-N 3.16Å; D392-R422 VanDerWaalsContact CG-NH2 3.34Å; D392-R422 WeakPolarHBondContact OD1-CD 3.38Å; D392-R422 IonicContact OD1-CZ 3.13Å; D392-R422 VanDerWaalsContact OD1-CZ 3.29Å; D392-R422 IonicContact OD1-NE 3.85Å; D392-R422 PolarHBondContact OD1-NE 2.73Å; D392-R422 IonicContact OD1-NH1 2.67Å; D392-R422 PolarHBondContact OD1-NH1 2.85Å; D392-R422 VanDerWaalsContact OD1-NH1 3.17Å; D392-R422 IonicContact OD1-NH2 3.36Å; D392-R422 IonicContact OD2-CZ 3.87Å; D392-R422 IonicContact OD2-NE 3.74Å; D392-R422 IonicContact OD2-NH1 3.62Å; D392-R422 PolarHBondContact OD2-NH1 3Å; D392-R422 IonicContact OD2-NH2 3.25Å; D392-R422 PolarHBondContact OD2-NH2 3.2Å; D392-R422 VanDerWaalsContact OD2-NH2 3.12Å; D392-L425 VanDerWaalsContact OD1-CD2 3.32Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.43Å
393	Y	95.4	Very high	95.2	Very high	149 Å²	149	52.2 Å²	52.2	58%	0.584	26%	0.262	S	S	*	.	H	α-helix	trans	-58.3	-43.3	176.6	177.1	-102.6	0	0	0	112.7	A389 L391 L397	A389-Y393 WeakPolarHBondContact O-CB 3.29Å; A389-Y393 PolarHBondContact O-N 3.38Å; A389-Y393 VanDerWaalsContact O-N 3.07Å; L391-Y393 PolarHBondContact O-N 2.55Å; Y393-L397 HydrophobicContact CD1-CD1 4.01Å; Y393-L397 HydrophobicContact CE1-CD1 3.4Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.4Å; Y393-L397 HydrophobicContact CE1-CG 4.25Å; Y393-L397 HydrophobicContact CE2-CD1 4.27Å; Y393-L397 HydrophobicContact CE2-CG 4.32Å; Y393-L397 WeakPolarHBondContact O-CG 3.45Å; Y393-L397 PolarHBondContact O-N 3.39Å; Y393-L397 VanDerWaalsContact O-N 3.17Å
394	K	94.8	Very high	95.3	Very high	64 Å²	64	54.8 Å²	54.8	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-41.2	177.6	-72.5	177.8	179	-177.7	0	111.2	A174 P175 P184 R390 L391 D392 M398	A174-K394 PolarHBondContact O-NZ 2.96Å; P175-K394 PolarHBondContact O-NZ 3.33Å; P184-K394 HydrophobicContact CB-CB 4.1Å; P184-K394 HydrophobicContact CG-CB 3.73Å; P184-K394 HydrophobicContact CG-CD 4.33Å; R390-K394 WeakPolarHBondContact O-CG 3.32Å; R390-K394 PolarHBondContact O-N 3.45Å; L391-K394 PolarHBondContact O-N 3.47Å; L391-K394 VanDerWaalsContact O-N 3.14Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.42Å; K394-M398 WeakPolarHBondContact O-CG 3.1Å; K394-M398 PolarHBondContact O-N 2.94Å
395	F	96.3	Very high	95.3	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-51.4	175.9	178.4	-78	0	0	0	111.3	P184 Y185 I188 L391 D392 L397 M398 Y399 F418 R422	P184-F395 HydrophobicContact CB-CB 4.33Å; Y185-F395 AromaticContact CD1-CD2 3.37Å; Y185-F395 HydrophobicContact CD1-CD2 3.37Å; Y185-F395 AromaticContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CE2 3.47Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CG 4.18Å; Y185-F395 HydrophobicContact CD1-CZ 4.34Å; Y185-F395 AromaticContact CE1-CD2 3.83Å; Y185-F395 HydrophobicContact CE1-CD2 3.83Å; Y185-F395 AromaticContact CE1-CE2 3.86Å; Y185-F395 HydrophobicContact CE1-CE2 3.86Å; Y185-F395 HydrophobicContact CE1-CG 4.25Å; Y185-F395 HydrophobicContact CE1-CZ 4.32Å; Y185-F395 HydrophobicContact CG-CE2 4.46Å; I188-F395 HydrophobicContact CB-CD2 4.09Å; I188-F395 HydrophobicContact CB-CE2 4.31Å; I188-F395 HydrophobicContact CD1-CB 3.32Å; I188-F395 HydrophobicContact CD1-CD1 4.37Å; I188-F395 HydrophobicContact CD1-CD2 3.26Å; I188-F395 HydrophobicContact CD1-CE2 4.14Å; I188-F395 HydrophobicContact CD1-CG 3.41Å; I188-F395 VanDerWaalsContact CD1-CG 3.41Å; I188-F395 HydrophobicContact CG1-CD2 4.23Å; I188-F395 HydrophobicContact CG2-CD2 4.21Å; I188-F395 HydrophobicContact CG2-CE2 4.02Å; L391-F395 WeakPolarHBondContact O-CB 3.27Å; L391-F395 PolarHBondContact O-N 3.13Å; D392-F395 WeakPolarHBondContact O-CB 3.41Å; D392-F395 PolarHBondContact O-N 3.02Å; D392-F395 VanDerWaalsContact O-N 3.17Å; F395-L397 VanDerWaalsContact C-N 3.3Å; F395-L397 PolarHBondContact O-N 2.61Å; F395-M398 WeakPolarHBondContact O-CB 3.22Å; F395-M398 PolarHBondContact O-N 2.87Å; F395-Y399 HydrophobicContact CE1-CD1 4.33Å; F395-Y399 HydrophobicContact CE1-CD2 4.4Å; F395-Y399 AromaticContact CE1-CG 3.94Å; F395-Y399 HydrophobicContact CE1-CG 3.94Å; F395-Y399 HydrophobicContact CZ-CD2 4.33Å; F395-Y399 HydrophobicContact CZ-CG 4.32Å; F395-Y399 WeakPolarHBondContact O-CB 3.41Å; F395-Y399 PolarHBondContact O-N 3.17Å; F395-F418 AromaticContact CE2-CD1 3.91Å; F395-F418 HydrophobicContact CE2-CD1 3.91Å; F395-F418 HydrophobicContact CZ-CB 4.09Å; F395-F418 AromaticContact CZ-CD1 3.96Å; F395-F418 HydrophobicContact CZ-CD1 3.96Å; F395-F418 WeakPolarHBondContact CZ-O 3.25Å; F395-R422 HydrophobicContact CD1-CB 4.3Å; F395-R422 HydrophobicContact CD1-CG 3.99Å; F395-R422 HydrophobicContact CE1-CB 3.7Å; F395-R422 HydrophobicContact CE1-CG 3.75Å; F395-R422 HydrophobicContact CZ-CB 3.94Å; F395-R422 HydrophobicContact CZ-CG 4.48Å
396	D	97.4	Very high	95.5	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.353	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-41.5	-176.4	-68.9	-22.6	0	0	0	111.2	D392 M398 Y399 A400 R422	D392-D396 WeakPolarHBondContact O-CB 3.01Å; D392-D396 PolarHBondContact O-N 3.16Å; D396-M398 VanDerWaalsContact C-N 3.31Å; D396-M398 PolarHBondContact O-N 3.09Å; D396-Y399 PolarHBondContact O-N 3.16Å; D396-A400 WeakPolarHBondContact O-CB 3.4Å; D396-A400 PolarHBondContact O-N 2.68Å; D396-R422 IonicContact OD1-CZ 3.97Å; D396-R422 IonicContact OD1-NE 2.81Å; D396-R422 PolarHBondContact OD1-NE 3.33Å; D396-R422 IonicContact OD1-NH2 3.4Å; D396-R422 IonicContact OD2-CZ 3.54Å; D396-R422 IonicContact OD2-NE 3.81Å; D396-R422 PolarHBondContact OD2-NE 2.67Å; D396-R422 IonicContact OD2-NH2 3.46Å; D396-R422 PolarHBondContact OD2-NH2 3.02Å
397	L	95.7	Very high	95.7	Very high	87 Å²	87	63.1 Å²	63.1	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-38.6	174.9	-75.6	179.7	0	0	0	113.2	Y393 F395	Y393-L397 HydrophobicContact CD1-CD1 4.01Å; Y393-L397 HydrophobicContact CE1-CD1 3.4Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.4Å; Y393-L397 HydrophobicContact CE1-CG 4.25Å; Y393-L397 HydrophobicContact CE2-CD1 4.27Å; Y393-L397 HydrophobicContact CE2-CG 4.32Å; Y393-L397 WeakPolarHBondContact O-CG 3.45Å; Y393-L397 PolarHBondContact O-N 3.39Å; Y393-L397 VanDerWaalsContact O-N 3.17Å; F395-L397 VanDerWaalsContact C-N 3.3Å; F395-L397 PolarHBondContact O-N 2.61Å
398	M	95.8	Very high	95.9	Very high	26 Å²	26	63 Å²	63	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-74.8	-46.5	178.5	-71.7	179.4	61.7	0	0	111.3	V181 V182 P184 Y185 K394 F395 D396 K401 R402 A403 F404	V181-M398 WeakPolarHBondContact O-CE 3.35Å; V182-M398 HydrophobicContact CG1-CE 4.3Å; P184-M398 HydrophobicContact CB-SD 4.27Å; P184-M398 HydrophobicContact CG-SD 3.86Å; Y185-M398 HydrophobicContact CD2-CE 4.32Å; Y185-M398 HydrophobicContact CE1-CB 3.86Å; Y185-M398 HydrophobicContact CE2-CE 4.14Å; Y185-M398 PolarHBondContact OH-O 3Å; K394-M398 WeakPolarHBondContact O-CG 3.1Å; K394-M398 PolarHBondContact O-N 2.94Å; F395-M398 WeakPolarHBondContact O-CB 3.22Å; F395-M398 PolarHBondContact O-N 2.87Å; D396-M398 VanDerWaalsContact C-N 3.31Å; D396-M398 PolarHBondContact O-N 3.09Å; M398-K401 PolarHBondContact O-N 3.27Å; M398-R402 PolarHBondContact O-N 3.22Å; M398-A403 PolarHBondContact O-N 2.75Å; M398-F404 HydrophobicContact CE-CD2 3.89Å; M398-F404 HydrophobicContact CE-CE2 4.41Å
399	Y	97	Very high	96.1	Very high	55 Å²	55	65.8 Å²	65.8	22%	0.216	32%	0.318	C	S	.	.	H	α-helix	trans	-69.7	-37.5	-174.7	-167.1	-109.1	0	0	0	112.1	Y185 F395 D396 K401 R402 V405 F418 S419	Y185-Y399 HydrophobicContact CE1-CD2 4.47Å; Y185-Y399 VanDerWaalsContact OH-CA 3.25Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.47Å; Y185-Y399 PolarHBondContact OH-N 3.22Å; F395-Y399 HydrophobicContact CE1-CD1 4.33Å; F395-Y399 HydrophobicContact CE1-CD2 4.4Å; F395-Y399 AromaticContact CE1-CG 3.94Å; F395-Y399 HydrophobicContact CE1-CG 3.94Å; F395-Y399 HydrophobicContact CZ-CD2 4.33Å; F395-Y399 HydrophobicContact CZ-CG 4.32Å; F395-Y399 WeakPolarHBondContact O-CB 3.41Å; F395-Y399 PolarHBondContact O-N 3.17Å; D396-Y399 PolarHBondContact O-N 3.16Å; Y399-K401 PolarHBondContact O-N 3.39Å; Y399-K401 VanDerWaalsContact O-N 3.08Å; Y399-R402 WeakPolarHBondContact O-CA 3.37Å; Y399-R402 PolarHBondContact O-N 2.8Å; Y399-V405 HydrophobicContact CD2-CG2 3.89Å; Y399-V405 HydrophobicContact CE2-CG2 4.04Å; Y399-F418 HydrophobicContact CD2-CB 4.19Å; Y399-F418 HydrophobicContact CD2-CG 4.3Å; Y399-F418 HydrophobicContact CE2-CB 3.53Å; Y399-F418 HydrophobicContact CE2-CD1 4.46Å; Y399-F418 HydrophobicContact CE2-CD2 4.1Å; Y399-F418 AromaticContact CE2-CG 3.81Å; Y399-F418 HydrophobicContact CE2-CG 3.81Å; Y399-S419 PolarHBondContact OH-OG 3.17Å
400	A	96.8	Very high	96.2	Very high	87 Å²	87	66.7 Å²	66.7	72%	0.719	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.2	173.4	0	0	0	0	0	113.1	D396	D396-A400 WeakPolarHBondContact O-CB 3.4Å; D396-A400 PolarHBondContact O-N 2.68Å
401	K	96.6	Very high	96.3	Very high	175 Å²	175	65.9 Å²	65.9	76%	0.761	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.4	175.7	-66	179	-178.5	174.1	0	113.3	M398 Y399 A403	M398-K401 PolarHBondContact O-N 3.27Å; Y399-K401 PolarHBondContact O-N 3.39Å; Y399-K401 VanDerWaalsContact O-N 3.08Å; K401-A403 HydrophobicContact CB-CB 4.47Å; K401-A403 PolarHBondContact O-N 2.81Å; K401-A403 VanDerWaalsContact O-N 3.13Å
402	R	96.2	Very high	96.4	Very high	150 Å²	150	68.2 Å²	68.2	57%	0.566	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	31.6	-169	-54.7	-176.4	73.1	-177	0.7	112.2	M398 Y399 F404 V405 E415	M398-R402 PolarHBondContact O-N 3.22Å; Y399-R402 WeakPolarHBondContact O-CA 3.37Å; Y399-R402 PolarHBondContact O-N 2.8Å; R402-F404 PolarHBondContact O-N 3.1Å; R402-V405 HydrophobicContact CB-CG2 4.28Å; R402-V405 PolarHBondContact O-N 2.79Å; R402-E415 IonicContact CZ-OE1 3.31Å; R402-E415 VanDerWaalsContact CZ-OE1 3.31Å; R402-E415 IonicContact NE-OE1 3.22Å; R402-E415 PolarHBondContact NE-OE1 3.14Å; R402-E415 IonicContact NH2-OE1 2.73Å; R402-E415 PolarHBondContact NH2-OE1 2.92Å; R402-E415 IonicContact NH2-OE2 2.86Å; R402-E415 PolarHBondContact NH2-OE2 3.47Å
403	A	96.4	Very high	96.5	Very high	30 Å²	30	68.2 Å²	68.2	25%	0.248	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	128.6	-179	0	0	0	0	0	108.7	Y185 M398 K401 V405	Y185-A403 WeakPolarHBondContact CE2-O 3.37Å; Y185-A403 PolarHBondContact OH-O 2.55Å; M398-A403 PolarHBondContact O-N 2.75Å; K401-A403 HydrophobicContact CB-CB 4.47Å; K401-A403 PolarHBondContact O-N 2.81Å; K401-A403 VanDerWaalsContact O-N 3.13Å; A403-V405 PolarHBondContact O-N 3.41Å
404	F	96.4	Very high	96.6	Very high	57 Å²	57	68 Å²	68	25%	0.25	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	-3	179.3	-49.5	-77.3	0	0	0	117.3	V181 V182 Y185 M398 R402 H406 W407 Y408	V181-F404 HydrophobicContact CB-CE2 4.43Å; V181-F404 HydrophobicContact CG1-CD2 4.41Å; V181-F404 HydrophobicContact CG1-CE2 3.52Å; V181-F404 HydrophobicContact CG1-CZ 3.9Å; V182-F404 HydrophobicContact CG1-CB 3.68Å; V182-F404 HydrophobicContact CG1-CD1 4.18Å; V182-F404 HydrophobicContact CG1-CD2 3.76Å; V182-F404 HydrophobicContact CG1-CE2 4.45Å; V182-F404 HydrophobicContact CG1-CG 3.6Å; Y185-F404 HydrophobicContact CE2-CB 4.44Å; M398-F404 HydrophobicContact CE-CD2 3.89Å; M398-F404 HydrophobicContact CE-CE2 4.41Å; R402-F404 PolarHBondContact O-N 3.1Å; F404-H406 PolarHBondContact O-N 2.75Å; F404-H406 VanDerWaalsContact O-N 3.15Å; F404-W407 HydrophobicContact CB-CD2 4.49Å; F404-W407 HydrophobicContact CB-CE3 4.41Å; F404-W407 AromaticContact CD1-CD2 3.88Å; F404-W407 HydrophobicContact CD1-CD2 3.88Å; F404-W407 AromaticContact CD1-CE2 3.98Å; F404-W407 AromaticContact CD1-CE3 3.63Å; F404-W407 HydrophobicContact CD1-CE3 3.63Å; F404-W407 AromaticContact CD1-CH2 3.65Å; F404-W407 HydrophobicContact CD1-CH2 3.65Å; F404-W407 AromaticContact CD1-CZ2 3.88Å; F404-W407 HydrophobicContact CD1-CZ2 3.88Å; F404-W407 AromaticContact CD1-CZ3 3.51Å; F404-W407 HydrophobicContact CD1-CZ3 3.51Å; F404-W407 HydrophobicContact CE1-CE3 4.39Å; F404-W407 AromaticContact CE1-CH2 3.62Å; F404-W407 HydrophobicContact CE1-CH2 3.62Å; F404-W407 HydrophobicContact CE1-CZ2 4.04Å; F404-W407 AromaticContact CE1-CZ3 3.82Å; F404-W407 HydrophobicContact CE1-CZ3 3.82Å; F404-W407 HydrophobicContact CG-CE3 4.42Å; F404-W407 VanDerWaalsContact O-CB 3.31Å; F404-W407 WeakPolarHBondContact O-CB 3.48Å; F404-W407 PolarHBondContact O-N 2.89Å; F404-Y408 WeakPolarHBondContact O-CD2 3.19Å
405	V	96.8	Very high	96.6	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.024	36%	0.362	C	S	.	.	H	α-helix	trans	-52.9	-41.9	-179.3	173.4	0	0	0	0	112	Y185 Y399 R402 A403 W407 Y408 V409 E415 F418	Y185-V405 HydrophobicContact CE2-CG2 4.25Å; Y399-V405 HydrophobicContact CD2-CG2 3.89Å; Y399-V405 HydrophobicContact CE2-CG2 4.04Å; R402-V405 HydrophobicContact CB-CG2 4.28Å; R402-V405 PolarHBondContact O-N 2.79Å; A403-V405 PolarHBondContact O-N 3.41Å; V405-W407 PolarHBondContact O-N 3.26Å; V405-Y408 PolarHBondContact O-N 3.26Å; V405-V409 HydrophobicContact CG1-CG2 4.1Å; V405-V409 PolarHBondContact O-N 3Å; V405-E415 HydrophobicContact CG1-CG 4.08Å; V405-F418 HydrophobicContact CB-CE2 4.48Å; V405-F418 HydrophobicContact CG1-CD2 4.32Å; V405-F418 HydrophobicContact CG1-CE2 3.91Å
406	H	96.6	Very high	96.6	Very high	125 Å²	125	69.8 Å²	69.8	58%	0.579	38%	0.38	S	S	*	.	H	α-helix	trans	-62.1	-21.6	177.6	66.1	-75	0	0	0	114.5	F404 G410	F404-H406 PolarHBondContact O-N 2.75Å; F404-H406 VanDerWaalsContact O-N 3.15Å; H406-G410 PolarHBondContact O-N 2.89Å
407	W	96.6	Very high	96.6	Very high	129 Å²	129	68.3 Å²	68.3	49%	0.489	37%	0.371	S	S	.	.	H	α-helix	trans	-73.3	-29.2	173.4	-66.1	-0.5	0	0	0	112	N102 F404 V405 E411	N102-W407 PolarHBondContact ND2-O 3.25Å; F404-W407 HydrophobicContact CB-CD2 4.49Å; F404-W407 HydrophobicContact CB-CE3 4.41Å; F404-W407 AromaticContact CD1-CD2 3.88Å; F404-W407 HydrophobicContact CD1-CD2 3.88Å; F404-W407 AromaticContact CD1-CE2 3.98Å; F404-W407 AromaticContact CD1-CE3 3.63Å; F404-W407 HydrophobicContact CD1-CE3 3.63Å; F404-W407 AromaticContact CD1-CH2 3.65Å; F404-W407 HydrophobicContact CD1-CH2 3.65Å; F404-W407 AromaticContact CD1-CZ2 3.88Å; F404-W407 HydrophobicContact CD1-CZ2 3.88Å; F404-W407 AromaticContact CD1-CZ3 3.51Å; F404-W407 HydrophobicContact CD1-CZ3 3.51Å; F404-W407 HydrophobicContact CE1-CE3 4.39Å; F404-W407 AromaticContact CE1-CH2 3.62Å; F404-W407 HydrophobicContact CE1-CH2 3.62Å; F404-W407 HydrophobicContact CE1-CZ2 4.04Å; F404-W407 AromaticContact CE1-CZ3 3.82Å; F404-W407 HydrophobicContact CE1-CZ3 3.82Å; F404-W407 HydrophobicContact CG-CE3 4.42Å; F404-W407 VanDerWaalsContact O-CB 3.31Å; F404-W407 WeakPolarHBondContact O-CB 3.48Å; F404-W407 PolarHBondContact O-N 2.89Å; V405-W407 PolarHBondContact O-N 3.26Å; W407-E411 WeakPolarHBondContact O-CG 3.43Å
408	Y	98.3	Very high	96.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-83.2	-47.3	178.5	-70.4	-114.7	0	0	0	110	N102 A104 V182 Y185 N186 L189 F404 V405 G410 E411 M413 F418	N102-Y408 WeakPolarHBondContact OD1-CD1 3.42Å; A104-Y408 HydrophobicContact CB-CD1 3.94Å; A104-Y408 HydrophobicContact CB-CG 4.25Å; V182-Y408 HydrophobicContact CB-CE2 4.33Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.37Å; V182-Y408 HydrophobicContact CG1-CE2 4.39Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.21Å; Y185-Y408 HydrophobicContact CD2-CD2 4.33Å; Y185-Y408 AromaticContact CD2-CE2 3.77Å; Y185-Y408 HydrophobicContact CD2-CE2 3.77Å; Y185-Y408 AromaticContact CD2-CZ 3.97Å; N186-Y408 PolarHBondContact OD1-OH 3.07Å; L189-Y408 HydrophobicContact CD1-CD1 3.82Å; L189-Y408 HydrophobicContact CD1-CE1 3.75Å; F404-Y408 WeakPolarHBondContact O-CD2 3.19Å; V405-Y408 PolarHBondContact O-N 3.26Å; Y408-G410 VanDerWaalsContact C-N 3.25Å; Y408-G410 PolarHBondContact O-N 2.83Å; Y408-E411 PolarHBondContact O-N 3.34Å; Y408-M413 HydrophobicContact CD1-CE 4.37Å; Y408-M413 HydrophobicContact CD1-SD 3.92Å; Y408-M413 HydrophobicContact CG-SD 4.47Å; Y408-M413 WeakPolarHBondContact O-CB 3.44Å; Y408-M413 PolarHBondContact O-N 3.3Å; Y408-F418 HydrophobicContact CD1-CE1 4.23Å; Y408-F418 AromaticContact CD1-CZ 3.74Å; Y408-F418 HydrophobicContact CD1-CZ 3.74Å; Y408-F418 AromaticContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CE1-CZ 4.4Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.26Å; Y408-F418 AromaticContact CG-CZ 3.48Å; Y408-F418 HydrophobicContact CG-CZ 3.48Å; Y408-F418 VanDerWaalsContact CG-CZ 3.48Å
409	V	97.4	Very high	96.8	Very high	59 Å²	59	65.1 Å²	65.1	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-34.8	176.7	179.1	0	0	0	0	111.7	V405 E411 G412 M413 E415	V405-V409 HydrophobicContact CG1-CG2 4.1Å; V405-V409 PolarHBondContact O-N 3Å; V409-E411 PolarHBondContact O-N 3.26Å; V409-G412 PolarHBondContact O-N 3.46Å; V409-M413 WeakPolarHBondContact CA-O 3.4Å; V409-E415 HydrophobicContact CG2-CB 4.04Å
410	G	96.6	Very high	96.8	Very high	66 Å²	66	67.8 Å²	67.8	68%	0.68	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.5	174.7	0	0	0	0	0	114.4	H406 Y408 G412	H406-G410 PolarHBondContact O-N 2.89Å; Y408-G410 VanDerWaalsContact C-N 3.25Å; Y408-G410 PolarHBondContact O-N 2.83Å; G410-G412 VanDerWaalsContact C-N 3.32Å
411	E	96.6	Very high	96.9	Very high	43 Å²	43	63.7 Å²	63.7	20%	0.201	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.2	175.3	-61.3	-73.1	164.6	0	0	112.1	A104 R105 Y108 T109 W407 Y408 V409	A104-E411 HydrophobicContact CB-CB 3.84Å; A104-E411 HydrophobicContact CB-CG 4.46Å; R105-E411 HydrophobicContact CB-CG 4.04Å; R105-E411 IonicContact NH1-OE1 2.74Å; R105-E411 PolarHBondContact NH1-OE1 2.82Å; Y108-E411 WeakPolarHBondContact CB-O 3.1Å; T109-E411 WeakPolarHBondContact CB-OE2 3.31Å; T109-E411 HydrophobicContact CG2-CB 4.12Å; T109-E411 WeakPolarHBondContact CG2-O 3.46Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.35Å; T109-E411 PolarHBondContact OG1-OE2 3.16Å; W407-E411 WeakPolarHBondContact O-CG 3.43Å; Y408-E411 PolarHBondContact O-N 3.34Å; V409-E411 PolarHBondContact O-N 3.26Å
412	G	95.3	Very high	96.9	Very high	56 Å²	56	57.6 Å²	57.6	58%	0.577	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	6.1	175.4	0	0	0	0	0	115.5	V409 G410	V409-G412 PolarHBondContact O-N 3.46Å; G410-G412 VanDerWaalsContact C-N 3.32Å
413	M	97.7	Very high	97	Very high	3 Å²	3	57 Å²	57	2%	0.015	32%	0.315	C	S	.	.			trans	-72.2	140.7	171	-170.7	-180	122.3	0	0	110.6	Y103 A104 Y108 L189 Y408 V409 E417 F418	Y103-M413 HydrophobicContact CD1-SD 4.43Å; A104-M413 HydrophobicContact CB-CB 3.93Å; A104-M413 HydrophobicContact CB-SD 4.03Å; Y108-M413 HydrophobicContact CD2-CB 3.8Å; Y108-M413 HydrophobicContact CD2-CG 4.19Å; Y108-M413 HydrophobicContact CE2-CB 3.68Å; Y108-M413 HydrophobicContact CE2-CG 3.54Å; Y108-M413 HydrophobicContact CE2-SD 4.17Å; L189-M413 HydrophobicContact CD1-CE 3.84Å; L189-M413 HydrophobicContact CD1-SD 3.88Å; L189-M413 HydrophobicContact CD2-CE 3.76Å; L189-M413 HydrophobicContact CD2-SD 4.26Å; L189-M413 HydrophobicContact CG-CE 4.47Å; Y408-M413 HydrophobicContact CD1-CE 4.37Å; Y408-M413 HydrophobicContact CD1-SD 3.92Å; Y408-M413 HydrophobicContact CG-SD 4.47Å; Y408-M413 WeakPolarHBondContact O-CB 3.44Å; Y408-M413 PolarHBondContact O-N 3.3Å; V409-M413 WeakPolarHBondContact CA-O 3.4Å; M413-E417 HydrophobicContact CE-CB 4.08Å; M413-E417 HydrophobicContact CG-CB 4.4Å; M413-E417 HydrophobicContact CG-CG 4.5Å; M413-E417 WeakPolarHBondContact CG-OE1 3.44Å; M413-E417 WeakPolarHBondContact CG-OE2 3.45Å; M413-F418 HydrophobicContact CE-CD1 4.02Å; M413-F418 HydrophobicContact CE-CD2 3.34Å; M413-F418 HydrophobicContact CE-CE1 3.89Å; M413-F418 HydrophobicContact CE-CE2 3.2Å; M413-F418 HydrophobicContact CE-CG 3.77Å; M413-F418 HydrophobicContact CE-CZ 3.51Å
414	E	97.1	Very high	97	Very high	145 Å²	145	57 Å²	57	68%	0.678	31%	0.311	S	S	*	.			trans	-78.4	139.7	175.5	-62.6	-170.8	178.2	0	0	110.7	G416 E417	E414-G416 PolarHBondContact O-N 2.96Å; E414-E417 HydrophobicContact CB-CG 4.22Å; E414-E417 PolarHBondContact N-OE1 3.07Å; E414-E417 WeakPolarHBondContact O-CB 3.49Å; E414-E417 PolarHBondContact O-N 3.32Å
415	E	95.4	Very high	97	Very high	66 Å²	66	54.5 Å²	54.5	31%	0.308	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25	-179.1	-174.1	168.3	-167.6	0	0	112.5	R402 V405 V409 E417 F418	R402-E415 IonicContact CZ-OE1 3.31Å; R402-E415 VanDerWaalsContact CZ-OE1 3.31Å; R402-E415 IonicContact NE-OE1 3.22Å; R402-E415 PolarHBondContact NE-OE1 3.14Å; R402-E415 IonicContact NH2-OE1 2.73Å; R402-E415 PolarHBondContact NH2-OE1 2.92Å; R402-E415 IonicContact NH2-OE2 2.86Å; R402-E415 PolarHBondContact NH2-OE2 3.47Å; V405-E415 HydrophobicContact CG1-CG 4.08Å; V409-E415 HydrophobicContact CG2-CB 4.04Å; E415-E417 VanDerWaalsContact C-N 3.29Å; E415-E417 PolarHBondContact O-N 2.91Å; E415-F418 PolarHBondContact O-N 2.82Å
416	G	96.6	Very high	97	Very high	37 Å²	37	55.7 Å²	55.7	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-32.3	176.8	0	0	0	0	0	113.5	E414 F418 S419 E420	E414-G416 PolarHBondContact O-N 2.96Å; G416-F418 PolarHBondContact O-N 3.23Å; G416-S419 WeakPolarHBondContact O-CB 3.13Å; G416-S419 PolarHBondContact O-N 3.08Å; G416-E420 PolarHBondContact O-N 3.06Å
417	E	97.8	Very high	96.9	Very high	34 Å²	34	51.6 Å²	51.6	16%	0.159	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-30.5	-179.7	-64.4	176.7	-127.5	0	0	112.6	Y108 M413 E414 E415 S419 A421	Y108-E417 PolarHBondContact OH-OE1 3.38Å; Y108-E417 PolarHBondContact OH-OE2 3.26Å; M413-E417 HydrophobicContact CE-CB 4.08Å; M413-E417 HydrophobicContact CG-CB 4.4Å; M413-E417 HydrophobicContact CG-CG 4.5Å; M413-E417 WeakPolarHBondContact CG-OE1 3.44Å; M413-E417 WeakPolarHBondContact CG-OE2 3.45Å; E414-E417 HydrophobicContact CB-CG 4.22Å; E414-E417 PolarHBondContact N-OE1 3.07Å; E414-E417 WeakPolarHBondContact O-CB 3.49Å; E414-E417 PolarHBondContact O-N 3.32Å; E415-E417 VanDerWaalsContact C-N 3.29Å; E415-E417 PolarHBondContact O-N 2.91Å; E417-S419 VanDerWaalsContact C-N 3.32Å; E417-S419 PolarHBondContact O-N 3.02Å; E417-A421 WeakPolarHBondContact O-CB 3.49Å; E417-A421 PolarHBondContact O-N 2.91Å
418	F	97.9	Very high	96.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-42.8	173.1	-80.1	-71.9	0	0	0	112	Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422	Y185-F418 HydrophobicContact CD1-CD1 4.35Å; Y185-F418 HydrophobicContact CD1-CE1 4.02Å; Y185-F418 AromaticContact CD2-CE1 3.66Å; Y185-F418 HydrophobicContact CD2-CE1 3.66Å; Y185-F418 HydrophobicContact CD2-CZ 4.1Å; Y185-F418 HydrophobicContact CE1-CE1 4.39Å; Y185-F418 HydrophobicContact CE2-CE1 4.05Å; Y185-F418 HydrophobicContact CE2-CZ 4.33Å; Y185-F418 HydrophobicContact CG-CD1 4.38Å; Y185-F418 AromaticContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CZ 4.49Å; L189-F418 HydrophobicContact CD1-CD1 4.44Å; L189-F418 HydrophobicContact CD1-CE1 4.04Å; F395-F418 AromaticContact CE2-CD1 3.91Å; F395-F418 HydrophobicContact CE2-CD1 3.91Å; F395-F418 HydrophobicContact CZ-CB 4.09Å; F395-F418 AromaticContact CZ-CD1 3.96Å; F395-F418 HydrophobicContact CZ-CD1 3.96Å; F395-F418 WeakPolarHBondContact CZ-O 3.25Å; Y399-F418 HydrophobicContact CD2-CB 4.19Å; Y399-F418 HydrophobicContact CD2-CG 4.3Å; Y399-F418 HydrophobicContact CE2-CB 3.53Å; Y399-F418 HydrophobicContact CE2-CD1 4.46Å; Y399-F418 HydrophobicContact CE2-CD2 4.1Å; Y399-F418 AromaticContact CE2-CG 3.81Å; Y399-F418 HydrophobicContact CE2-CG 3.81Å; V405-F418 HydrophobicContact CB-CE2 4.48Å; V405-F418 HydrophobicContact CG1-CD2 4.32Å; V405-F418 HydrophobicContact CG1-CE2 3.91Å; Y408-F418 HydrophobicContact CD1-CE1 4.23Å; Y408-F418 AromaticContact CD1-CZ 3.74Å; Y408-F418 HydrophobicContact CD1-CZ 3.74Å; Y408-F418 AromaticContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CE1-CZ 4.4Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.26Å; Y408-F418 AromaticContact CG-CZ 3.48Å; Y408-F418 HydrophobicContact CG-CZ 3.48Å; Y408-F418 VanDerWaalsContact CG-CZ 3.48Å; M413-F418 HydrophobicContact CE-CD1 4.02Å; M413-F418 HydrophobicContact CE-CD2 3.34Å; M413-F418 HydrophobicContact CE-CE1 3.89Å; M413-F418 HydrophobicContact CE-CE2 3.2Å; M413-F418 HydrophobicContact CE-CG 3.77Å; M413-F418 HydrophobicContact CE-CZ 3.51Å; E415-F418 PolarHBondContact O-N 2.82Å; G416-F418 PolarHBondContact O-N 3.23Å; F418-R422 WeakPolarHBondContact O-CB 3.46Å; F418-R422 PolarHBondContact O-N 3.28Å; F418-R422 VanDerWaalsContact O-N 3.14Å
419	S	96.9	Very high	96.7	Very high	46 Å²	46	46.9 Å²	46.9	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-73.5	-42.2	-178.1	-59.5	0	0	0	0	110.4	Y399 G416 E417 R422 E423	Y399-S419 PolarHBondContact OH-OG 3.17Å; G416-S419 WeakPolarHBondContact O-CB 3.13Å; G416-S419 PolarHBondContact O-N 3.08Å; E417-S419 VanDerWaalsContact C-N 3.32Å; E417-S419 PolarHBondContact O-N 3.02Å; S419-R422 PolarHBondContact O-N 3.18Å; S419-E423 WeakPolarHBondContact O-CB 3.36Å; S419-E423 WeakPolarHBondContact O-CG 3.32Å; S419-E423 PolarHBondContact O-N 3.4Å
420	E	97.8	Very high	96.6	Very high	112 Å²	112	50 Å²	50	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-49.3	176.4	-68	176.6	-164.1	0	0	111.6	G416 R422 E423 D424	G416-E420 PolarHBondContact O-N 3.06Å; E420-R422 VanDerWaalsContact C-N 3.28Å; E420-R422 PolarHBondContact O-N 3.36Å; E420-E423 PolarHBondContact O-N 3.25Å; E420-D424 WeakPolarHBondContact O-CB 3.25Å; E420-D424 PolarHBondContact O-N 2.95Å
421	A	97.8	Very high	96.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-36.5	178.2	0	0	0	0	0	112.6	I188 L189 H192 E417 L425	I188-A421 HydrophobicContact CG2-CB 3.65Å; L189-A421 HydrophobicContact CD2-CB 3.97Å; H192-A421 HydrophobicContact CB-CB 3.5Å; E417-A421 WeakPolarHBondContact O-CB 3.49Å; E417-A421 PolarHBondContact O-N 2.91Å; A421-L425 PolarHBondContact O-N 3.2Å; A421-L425 VanDerWaalsContact O-N 3.08Å
422	R	97.6	Very high	96.5	Very high	47 Å²	47	46.9 Å²	46.9	18%	0.177	26%	0.259	C	S	.	.	H	α-helix	trans	-68.8	-41.3	176.8	174.9	61.7	-173.3	96.3	-9.6	112.3	D392 F395 D396 F418 S419 E420 L425 A426	D392-R422 VanDerWaalsContact CG-NH2 3.34Å; D392-R422 WeakPolarHBondContact OD1-CD 3.38Å; D392-R422 IonicContact OD1-CZ 3.13Å; D392-R422 VanDerWaalsContact OD1-CZ 3.29Å; D392-R422 IonicContact OD1-NE 3.85Å; D392-R422 PolarHBondContact OD1-NE 2.73Å; D392-R422 IonicContact OD1-NH1 2.67Å; D392-R422 PolarHBondContact OD1-NH1 2.85Å; D392-R422 VanDerWaalsContact OD1-NH1 3.17Å; D392-R422 IonicContact OD1-NH2 3.36Å; D392-R422 IonicContact OD2-CZ 3.87Å; D392-R422 IonicContact OD2-NE 3.74Å; D392-R422 IonicContact OD2-NH1 3.62Å; D392-R422 PolarHBondContact OD2-NH1 3Å; D392-R422 IonicContact OD2-NH2 3.25Å; D392-R422 PolarHBondContact OD2-NH2 3.2Å; D392-R422 VanDerWaalsContact OD2-NH2 3.12Å; F395-R422 HydrophobicContact CD1-CB 4.3Å; F395-R422 HydrophobicContact CD1-CG 3.99Å; F395-R422 HydrophobicContact CE1-CB 3.7Å; F395-R422 HydrophobicContact CE1-CG 3.75Å; F395-R422 HydrophobicContact CZ-CB 3.94Å; F395-R422 HydrophobicContact CZ-CG 4.48Å; D396-R422 IonicContact OD1-CZ 3.97Å; D396-R422 IonicContact OD1-NE 2.81Å; D396-R422 PolarHBondContact OD1-NE 3.33Å; D396-R422 IonicContact OD1-NH2 3.4Å; D396-R422 IonicContact OD2-CZ 3.54Å; D396-R422 IonicContact OD2-NE 3.81Å; D396-R422 PolarHBondContact OD2-NE 2.67Å; D396-R422 IonicContact OD2-NH2 3.46Å; D396-R422 PolarHBondContact OD2-NH2 3.02Å; F418-R422 WeakPolarHBondContact O-CB 3.46Å; F418-R422 PolarHBondContact O-N 3.28Å; F418-R422 VanDerWaalsContact O-N 3.14Å; S419-R422 PolarHBondContact O-N 3.18Å; E420-R422 VanDerWaalsContact C-N 3.28Å; E420-R422 PolarHBondContact O-N 3.36Å; R422-L425 PolarHBondContact O-N 2.88Å; R422-A426 PolarHBondContact O-N 3.16Å; R422-A426 VanDerWaalsContact O-N 3.13Å
423	E	97.4	Very high	96.4	Very high	139 Å²	139	50 Å²	50	65%	0.65	26%	0.259	S	S	*	.	H	α-helix	trans	-66.6	-40.3	175.7	-75.6	178.8	-172.6	0	0	111.5	S419 E420 L425 A426 A427	S419-E423 WeakPolarHBondContact O-CB 3.36Å; S419-E423 WeakPolarHBondContact O-CG 3.32Å; S419-E423 PolarHBondContact O-N 3.4Å; E420-E423 PolarHBondContact O-N 3.25Å; E423-L425 VanDerWaalsContact C-N 3.31Å; E423-L425 PolarHBondContact O-N 2.97Å; E423-A426 PolarHBondContact O-N 3.45Å; E423-A427 PolarHBondContact O-N 3.32Å
424	D	96.8	Very high	96.1	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.16	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-37.4	176.9	-169.5	33.6	0	0	0	111.9	H192 R264 E420 A427 L428	H192-D424 IonicContact CE1-OD2 3.57Å; H192-D424 IonicContact CG-OD2 2.83Å; H192-D424 WeakPolarHBondContact ND1-CB 3.44Å; H192-D424 IonicContact ND1-OD2 2.82Å; H192-D424 PolarHBondContact ND1-OD2 3.41Å; R264-D424 IonicContact CZ-OD1 2.86Å; R264-D424 IonicContact NH1-OD1 2.84Å; R264-D424 PolarHBondContact NH1-OD1 3.08Å; R264-D424 PolarHBondContact NH2-O 3.25Å; R264-D424 VanDerWaalsContact NH2-O 3.08Å; R264-D424 IonicContact NH2-OD1 3.33Å; R264-D424 PolarHBondContact NH2-OD1 3.1Å; E420-D424 WeakPolarHBondContact O-CB 3.25Å; E420-D424 PolarHBondContact O-N 2.95Å; D424-A427 WeakPolarHBondContact O-CB 3.38Å; D424-A427 PolarHBondContact O-N 3.18Å; D424-L428 PolarHBondContact O-N 3.13Å
425	L	96.4	Very high	95.9	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-68.6	-40.4	174.1	-163.7	63.8	0	0	0	112.9	I188 T191 W388 L391 D392 A421 R422 E423 A427 L428 E429	I188-L425 HydrophobicContact CD1-CD2 4.11Å; I188-L425 HydrophobicContact CG1-CD2 3.49Å; I188-L425 VanDerWaalsContact CG1-CD2 3.49Å; T191-L425 HydrophobicContact CG2-CD1 3.84Å; W388-L425 HydrophobicContact CD2-CD1 3.86Å; W388-L425 HydrophobicContact CE3-CD1 3.04Å; W388-L425 HydrophobicContact CE3-CD2 3.92Å; W388-L425 HydrophobicContact CE3-CG 3.95Å; W388-L425 HydrophobicContact CH2-CD1 4.36Å; W388-L425 HydrophobicContact CZ3-CD1 3.35Å; L391-L425 HydrophobicContact CD2-CD2 4.23Å; D392-L425 VanDerWaalsContact OD1-CD2 3.32Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.43Å; A421-L425 PolarHBondContact O-N 3.2Å; A421-L425 VanDerWaalsContact O-N 3.08Å; R422-L425 PolarHBondContact O-N 2.88Å; E423-L425 VanDerWaalsContact C-N 3.31Å; E423-L425 PolarHBondContact O-N 2.97Å; L425-A427 VanDerWaalsContact C-N 3.26Å; L425-A427 PolarHBondContact O-N 3.48Å; L425-L428 HydrophobicContact CD1-CB 4.4Å; L425-L428 HydrophobicContact CD1-CD2 3.95Å; L425-L428 WeakPolarHBondContact O-CB 3.31Å; L425-L428 PolarHBondContact O-N 2.91Å; L425-L428 VanDerWaalsContact O-N 3.14Å; L425-E429 PolarHBondContact O-N 3.5Å
426	A	95.8	Very high	95.5	Very high	28 Å²	28	47.7 Å²	47.7	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-35.6	171.8	0	0	0	0	0	112.4	R422 E423 E429 K430	R422-A426 PolarHBondContact O-N 3.16Å; R422-A426 VanDerWaalsContact O-N 3.13Å; E423-A426 PolarHBondContact O-N 3.45Å; A426-E429 PolarHBondContact O-N 3.33Å; A426-K430 WeakPolarHBondContact O-CG 3.42Å; A426-K430 PolarHBondContact O-N 2.84Å
427	A	96.2	Very high	95.1	Very high	39 Å²	39	49.5 Å²	49.5	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-41.4	173.7	0	0	0	0	0	111.1	E423 D424 L425 E429 K430 D431	E423-A427 PolarHBondContact O-N 3.32Å; D424-A427 WeakPolarHBondContact O-CB 3.38Å; D424-A427 PolarHBondContact O-N 3.18Å; L425-A427 VanDerWaalsContact C-N 3.26Å; L425-A427 PolarHBondContact O-N 3.48Å; A427-E429 VanDerWaalsContact C-N 3.34Å; A427-E429 PolarHBondContact O-N 2.87Å; A427-K430 WeakPolarHBondContact O-CB 3.37Å; A427-K430 PolarHBondContact O-N 3.36Å; A427-D431 VanDerWaalsContact O-CG 3.27Å; A427-D431 PolarHBondContact O-N 3.37Å
428	L	95.8	Very high	94.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-40.1	174.3	-177.9	61.1	0	0	0	112.4	T191 L195 R264 F267 W388 D424 L425 K430 D431 Y432	T191-L428 HydrophobicContact CG2-CD2 4.27Å; L195-L428 HydrophobicContact CD1-CD2 4.18Å; R264-L428 HydrophobicContact CB-CD1 4.08Å; R264-L428 VanDerWaalsContact O-CD1 3.26Å; R264-L428 WeakPolarHBondContact O-CD1 3.49Å; F267-L428 HydrophobicContact CD2-CD2 4.37Å; F267-L428 HydrophobicContact CE2-CD2 3.79Å; F267-L428 HydrophobicContact CZ-CD2 4.5Å; W388-L428 HydrophobicContact CD2-CD2 4.3Å; W388-L428 HydrophobicContact CE3-CD2 4.32Å; W388-L428 HydrophobicContact CH2-CD2 3.59Å; W388-L428 HydrophobicContact CZ2-CD2 3.61Å; W388-L428 HydrophobicContact CZ3-CD2 3.98Å; D424-L428 PolarHBondContact O-N 3.13Å; L425-L428 HydrophobicContact CD1-CB 4.4Å; L425-L428 HydrophobicContact CD1-CD2 3.95Å; L425-L428 WeakPolarHBondContact O-CB 3.31Å; L425-L428 PolarHBondContact O-N 2.91Å; L425-L428 VanDerWaalsContact O-N 3.14Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 2.63Å; L428-D431 WeakPolarHBondContact O-CB 3.22Å; L428-D431 PolarHBondContact O-N 2.92Å; L428-Y432 HydrophobicContact CD1-CD2 4.05Å; L428-Y432 HydrophobicContact CD1-CE2 3.77Å; L428-Y432 HydrophobicContact CG-CD2 4.12Å; L428-Y432 HydrophobicContact CG-CE2 4.01Å; L428-Y432 WeakPolarHBondContact O-CD2 3.38Å; L428-Y432 PolarHBondContact O-N 3.41Å; L428-Y432 VanDerWaalsContact O-N 3.09Å
429	E	94.9	Very high	92.7	Very high	30 Å²	30	54 Å²	54	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-47.4	173.6	-73.8	-177.2	-171.8	0	0	111.6	W388 A389 L425 A426 A427 D431 Y432 E433	W388-E429 HydrophobicContact CB-CG 3.57Å; W388-E429 WeakPolarHBondContact CB-OE1 3.42Å; W388-E429 HydrophobicContact CG-CG 4.33Å; A389-E429 WeakPolarHBondContact CA-OE1 3.38Å; A389-E429 PolarHBondContact N-OE1 3.15Å; L425-E429 PolarHBondContact O-N 3.5Å; A426-E429 PolarHBondContact O-N 3.33Å; A427-E429 VanDerWaalsContact C-N 3.34Å; A427-E429 PolarHBondContact O-N 2.87Å; E429-D431 VanDerWaalsContact C-N 3.34Å; E429-D431 PolarHBondContact O-N 3.04Å; E429-Y432 PolarHBondContact O-N 3.43Å; E429-E433 WeakPolarHBondContact O-CG 3.2Å; E429-E433 PolarHBondContact O-N 3.2Å
430	K	95	Very high	90.9	Very high	123 Å²	123	57.1 Å²	57.1	54%	0.535	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-40.4	175.9	-70.4	177.3	-178.4	177.4	0	112.3	A426 A427 L428 Y432 E433 E434	A426-K430 WeakPolarHBondContact O-CG 3.42Å; A426-K430 PolarHBondContact O-N 2.84Å; A427-K430 WeakPolarHBondContact O-CB 3.37Å; A427-K430 PolarHBondContact O-N 3.36Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 2.63Å; K430-Y432 VanDerWaalsContact C-N 3.27Å; K430-Y432 PolarHBondContact O-N 2.74Å; K430-E433 PolarHBondContact O-N 2.53Å; K430-E433 VanDerWaalsContact O-N 3.11Å; K430-E434 WeakPolarHBondContact O-CB 3.4Å; K430-E434 WeakPolarHBondContact O-CG 3.18Å; K430-E434 PolarHBondContact O-N 3.35Å
431	D	95.2	Very high	88.7	Confident	44 Å²	44	58.8 Å²	58.8	24%	0.235	31%	0.312	C	S	.	.	H	α-helix	trans	-54.8	-47.5	174.8	-65.8	-28.6	0	0	0	109.7	R264 I265 A427 L428 E429 E434 V435	R264-D431 WeakPolarHBondContact CD-OD2 3.36Å; R264-D431 IonicContact CZ-OD2 2.67Å; R264-D431 IonicContact NE-OD2 2.81Å; R264-D431 PolarHBondContact NE-OD2 3.18Å; R264-D431 IonicContact NH2-OD2 3.55Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.27Å; A427-D431 VanDerWaalsContact O-CG 3.27Å; A427-D431 PolarHBondContact O-N 3.37Å; L428-D431 WeakPolarHBondContact O-CB 3.22Å; L428-D431 PolarHBondContact O-N 2.92Å; E429-D431 VanDerWaalsContact C-N 3.34Å; E429-D431 PolarHBondContact O-N 3.04Å; D431-E434 PolarHBondContact O-N 3.22Å; D431-V435 WeakPolarHBondContact O-CG2 3.39Å; D431-V435 PolarHBondContact O-N 3.07Å; D431-V435 VanDerWaalsContact O-N 3.15Å
432	Y	94.8	Very high	86.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-32.8	176.8	-84.9	-79.3	0	0	0	114.2	I265 F267 M313 T382 I384 W388 L428 E429 K430 G436	I265-Y432 HydrophobicContact CB-CE1 4.49Å; I265-Y432 HydrophobicContact CG2-CD1 3.88Å; I265-Y432 HydrophobicContact CG2-CE1 3.32Å; I265-Y432 HydrophobicContact CG2-CE2 4.21Å; I265-Y432 VanDerWaalsContact CG2-CZ 3.47Å; F267-Y432 PolarHBondContact N-OH 3.2Å; M313-Y432 HydrophobicContact CE-CD1 3.92Å; M313-Y432 HydrophobicContact CE-CE1 3.73Å; T382-Y432 VanDerWaalsContact CG2-O 3.22Å; T382-Y432 WeakPolarHBondContact CG2-O 3.46Å; I384-Y432 HydrophobicContact CG2-CD1 3.77Å; I384-Y432 HydrophobicContact CG2-CD2 4.3Å; I384-Y432 HydrophobicContact CG2-CE1 3.32Å; I384-Y432 HydrophobicContact CG2-CE2 3.97Å; I384-Y432 HydrophobicContact CG2-CG 4.23Å; I384-Y432 VanDerWaalsContact CG2-CZ 3.47Å; W388-Y432 AromaticContact NE1-CE2 3.89Å; L428-Y432 HydrophobicContact CD1-CD2 4.05Å; L428-Y432 HydrophobicContact CD1-CE2 3.77Å; L428-Y432 HydrophobicContact CG-CD2 4.12Å; L428-Y432 HydrophobicContact CG-CE2 4.01Å; L428-Y432 WeakPolarHBondContact O-CD2 3.38Å; L428-Y432 PolarHBondContact O-N 3.41Å; L428-Y432 VanDerWaalsContact O-N 3.09Å; E429-Y432 PolarHBondContact O-N 3.43Å; K430-Y432 VanDerWaalsContact C-N 3.27Å; K430-Y432 PolarHBondContact O-N 2.74Å; Y432-G436 PolarHBondContact O-N 3.18Å
433	E	92.9	Very high	83.8	Confident	122 Å²	122	68.2 Å²	68.2	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-66.1	-48	173	-71.7	179.2	170	0	0	110.6	E429 K430 V435 G436 V437	E429-E433 WeakPolarHBondContact O-CG 3.2Å; E429-E433 PolarHBondContact O-N 3.2Å; K430-E433 PolarHBondContact O-N 2.53Å; K430-E433 VanDerWaalsContact O-N 3.11Å; E433-V435 PolarHBondContact O-N 2.83Å; E433-G436 WeakPolarHBondContact O-CA 3.39Å; E433-G436 PolarHBondContact O-N 3.3Å; E433-V437 PolarHBondContact O-N 3.49Å
434	E	92.5	Very high	81.1	Confident	139 Å²	139	64.6 Å²	64.6	65%	0.65	38%	0.376	S	S	*	.	H	α-helix	trans	-60.5	-45.5	-178.1	-74.6	-179.3	-169.8	0	0	112.4	K430 D431 G436 V437	K430-E434 WeakPolarHBondContact O-CB 3.4Å; K430-E434 WeakPolarHBondContact O-CG 3.18Å; K430-E434 PolarHBondContact O-N 3.35Å; D431-E434 PolarHBondContact O-N 3.22Å; E434-G436 PolarHBondContact O-N 2.73Å; E434-V437 PolarHBondContact O-N 2.99Å
435	V	91.4	Very high	78.3	Confident	12 Å²	12	73 Å²	73	7%	0.073	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.5	174.4	-90.3	0	0	0	0	113.9	Y262 I265 M313 W346 T382 D431 E433	Y262-V435 HydrophobicContact CD2-CG1 3.88Å; Y262-V435 HydrophobicContact CE2-CG1 3.43Å; Y262-V435 VanDerWaalsContact CE2-CG1 3.43Å; I265-V435 HydrophobicContact CD1-CB 4.45Å; I265-V435 HydrophobicContact CD1-CG1 4.07Å; I265-V435 HydrophobicContact CD1-CG2 3.49Å; I265-V435 VanDerWaalsContact CD1-CG2 3.49Å; M313-V435 HydrophobicContact SD-CB 4.16Å; M313-V435 HydrophobicContact SD-CG2 3.85Å; W346-V435 HydrophobicContact CZ2-CB 4.07Å; W346-V435 HydrophobicContact CZ2-CG1 3.85Å; W346-V435 PolarHBondContact NE1-O 3.01Å; W346-V435 VanDerWaalsContact NE1-O 3.14Å; T382-V435 HydrophobicContact CG2-CG2 4.28Å; D431-V435 WeakPolarHBondContact O-CG2 3.39Å; D431-V435 PolarHBondContact O-N 3.07Å; D431-V435 VanDerWaalsContact O-N 3.15Å; E433-V435 PolarHBondContact O-N 2.83Å
436	G	88.7	Confident	75.6	Confident	14 Å²	14	75.4 Å²	75.4	14%	0.144	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.7	178.1	0	0	0	0	0	114.4	K311 Y432 E433 E434	K311-G436 WeakPolarHBondContact CD-O 3.42Å; K311-G436 WeakPolarHBondContact CE-O 3.47Å; K311-G436 PolarHBondContact NZ-O 3.23Å; Y432-G436 PolarHBondContact O-N 3.18Å; E433-G436 WeakPolarHBondContact O-CA 3.39Å; E433-G436 PolarHBondContact O-N 3.3Å; E434-G436 PolarHBondContact O-N 2.73Å
437	V	88	Confident	72.8	Confident	75 Å²	75	82.5 Å²	82.5	46%	0.455	47%	0.473	S	S	.	.	S	Bend	trans	-68.4	134	176.5	-178.2	0	0	0	0	109.1	E433 E434 E441	E433-V437 PolarHBondContact O-N 3.49Å; E434-V437 PolarHBondContact O-N 2.99Å; V437-E441 HydrophobicContact CG1-CB 4.22Å
438	D	76.1	Confident	70.1	Confident	56 Å²	56	84.1 Å²	84.1	30%	0.299	49%	0.494	S	S	.	.			trans	-67.4	138.4	176.6	-71.4	-46.8	0	0	0	109.8	K311 V440 E441	K311-D438 IonicContact NZ-OD1 2.63Å; K311-D438 PolarHBondContact NZ-OD1 3.23Å; K311-D438 IonicContact NZ-OD2 3.42Å; K311-D438 PolarHBondContact NZ-OD2 3.03Å; D438-V440 PolarHBondContact O-N 3.33Å; D438-E441 PolarHBondContact O-N 2.86Å
439	S	68.7	Low	67.5	Low	74 Å²	74	92.9 Å²	92.9	52%	0.517	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-57	-25.5	-178.5	62.4	0	0	0	0	113	D345	D345-S439 VanDerWaalsContact OD2-CB 3.29Å; D345-S439 WeakPolarHBondContact OD2-CB 3.47Å; D345-S439 PolarHBondContact OD2-N 3.13Å; D345-S439 PolarHBondContact OD2-OG 3.28Å
440	V	58.7	Low	65	Low	111 Å²	111	101 Å²	101	67%	0.673	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-77.1	-25.5	-178.9	-168	0	0	0	0	112.7	D438 G442	D438-V440 PolarHBondContact O-N 3.33Å; V440-G442 PolarHBondContact O-N 2.98Å
441	E	52.1	Low	62.8	Low	147 Å²	147	109.6 Å²	109.6	69%	0.687	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-73.3	-17.2	177.9	-70.4	-171.9	160.5	0	0	112.4	V437 D438	V437-E441 HydrophobicContact CG1-CB 4.22Å; D438-E441 PolarHBondContact O-N 2.86Å
442	G	48.1	Very low	61.2	Low	69 Å²	69	112.9 Å²	112.9	71%	0.711	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-80.3	-19.8	176.6	0	0	0	0	0	115.6	V440	V440-G442 PolarHBondContact O-N 2.98Å
443	E	44.6	Very low	59.4	Low	176 Å²	176	118.8 Å²	118.8	82%	0.822	66%	0.655	S	S	*	*	S	Bend	trans	-110.7	10.6	-178.1	-66.5	-170.1	165.3	0	0	113.3
444	G	39.7	Very low	57.5	Low	62 Å²	62	118.6 Å²	118.6	64%	0.639	66%	0.66	S	S	*	*			trans	-92.7	10.3	-165.9	0	0	0	0	0	119.1
445	E	39.5	Very low	55.5	Low	208 Å²	208	117.4 Å²	117.4	97%	0.972	66%	0.661	S	S	*	*	S	Bend	trans	-116	48.4	172.5	-73.7	-162.9	173.5	0	0	112.8
446	G	39.5	Very low	53.2	Low	53 Å²	53	124 Å²	124	55%	0.546	70%	0.697	S	S	.	*	S	Bend	trans	-167.3	70.6	171.9	0	0	0	0	0	111.6
447	D	36.5	Very low	50.9	Low	177 Å²	177	131.3 Å²	131.3	95%	0.947	73%	0.734	S	S	*	*			trans	165.9	104.5	138.6	-82.1	-22.6	0	0	0	110
448	G	39.6	Very low	48.2	Very low	73 Å²	73	135.4 Å²	135.4	75%	0.753	75%	0.754	S	S	*	*			trans	-170.3	48.6	-178.9	0	0	0	0	0	113.7
449	E	40	Very low	46.1	Very low	186 Å²	186	141.5 Å²	141.5	87%	0.869	79%	0.789	S	S	*	*			trans	45.3	103.3	143.7	-59.5	-178.1	163.1	0	0	119.1
450	E	43.9	Very low	44.2	Very low	199 Å²	199	147.1 Å²	147.1	93%	0.93	81%	0.812	S	S	*	*			trans	-98.9	118.3	146	-83.1	-167	159	0	0	109.7
451	Y	48.1	Very low	42.9	Very low	304 Å²	304	150.4 Å²	150.4	100%	1.192	82%	0.824	S	S	*	*			trans	-23.9	0	173.7	-68.3	-92.2	0	0	0	119.4

Retrieved 451 of 451 residues in 134.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).