A0A087XNW6_POEFO 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 A0A087XNW6, Species POEFO (Poecilia formosa, Amazon molly), Gene TUBA1B, Length 451 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	67.3	Low	92.5	Very high	104 Å²	104	29.3 Å²	29.3	51%	0.512	13%	0.131	S	C	.	.				0	164	0	-78.5	175.2	-92.2	0	0	109.9	E3 N50	M1-E3 HydrophobicContact CB-CG 4.32Å; M1-N50 HydrophobicContact SD-CB 3.77Å
2	R	81.4	Confident	92.7	Very high	120 Å²	120	28.8 Å²	28.8	45%	0.453	14%	0.136	S	C	.	.			trans	-119.7	54.1	-172.8	-78.4	-178.7	169.5	-162.5	-5.2	109.9	T51 Q133 D251	R2-T51 WeakPolarHBondContact O-CG2 3.37Å; R2-Q133 HydrophobicContact CB-CG 3.94Å; R2-Q133 VanDerWaalsContact CB-NE2 3.32Å; R2-Q133 HydrophobicContact CG-CG 4.42Å; R2-D251 IonicContact CZ-OD2 2.71Å; R2-D251 IonicContact NH1-OD2 3.94Å; R2-D251 IonicContact NH2-OD2 3.39Å
3	E	92.1	Very high	93	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	13%	0.125	C	C	.	.			trans	-63.2	143	-168.6	-56.8	92.8	146.2	0	0	113.1	M1 T51 C129 T130 G131 L132 Q133	M1-E3 HydrophobicContact CB-CG 4.32Å; E3-T51 WeakPolarHBondContact CA-O 3.41Å; E3-C129 HydrophobicContact CB-CB 3.93Å; E3-C129 HydrophobicContact CG-CB 4.14Å; E3-T130 PolarHBondContact OE1-N 3.44Å; E3-T130 PolarHBondContact OE1-OG1 2.79Å; E3-G131 PolarHBondContact N-O 2.81Å; E3-G131 WeakPolarHBondContact OE2-CA 3.36Å; E3-G131 PolarHBondContact OE2-N 2.88Å; E3-L132 WeakPolarHBondContact O-CA 3.13Å; E3-Q133 PolarHBondContact O-N 3.14Å
4	C	94.1	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.5	176.8	-64.4	0	0	0	0	109.5	T51 F52	C4-T51 PolarHBondContact N-O 3.41Å; C4-F52 HydrophobicContact CB-CE2 4.11Å; C4-F52 HydrophobicContact CB-CZ 4.26Å
5	I	97.4	Very high	93.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.1	176.1	-64.8	168.7	0	0	0	108.8	I7 R64 L125 L132 G134 F135 L136	I5-I7 HydrophobicContact CG2-CG1 4.23Å; I5-R64 WeakPolarHBondContact CA-O 3.38Å; I5-L125 HydrophobicContact CD1-CB 3.79Å; I5-L125 HydrophobicContact CG1-CB 4.36Å; I5-L125 HydrophobicContact CG2-CD1 4.34Å; I5-L132 HydrophobicContact CB-CD1 4.45Å; I5-L132 HydrophobicContact CD1-CD1 3.71Å; I5-L132 HydrophobicContact CD1-CD2 4.3Å; I5-L132 HydrophobicContact CG1-CD1 3.78Å; I5-G134 PolarHBondContact N-O 3.32Å; I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.23Å; I5-F135 HydrophobicContact CD1-CE1 4.09Å; I5-F135 HydrophobicContact CG2-CD1 4.23Å; I5-F135 CarbonylContact O-C 3.41Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.2Å; I5-L136 PolarHBondContact O-N 2.93Å
6	S	98.1	Very high	93.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.2	175.2	-55.9	0	0	0	0	110.8	H8 R64 A65 V66 L136	S6-H8 WeakPolarHBondContact CB-NE2 3.36Å; S6-R64 PolarHBondContact N-O 3.02Å; S6-A65 CarbonylContact O-C 3.51Å; S6-A65 WeakPolarHBondContact O-CA 3.3Å; S6-V66 PolarHBondContact O-N 3.22Å; S6-L136 CarbonylContact C-O 3.56Å; S6-L136 WeakPolarHBondContact CA-O 3.49Å
7	I	98.6	Very high	93.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.2	179.5	-51.4	171.6	0	0	0	108.2	I5 V9 V66 I122 F135 L136 V137 F138 L153 L157	I5-I7 HydrophobicContact CG2-CG1 4.23Å; I7-V9 HydrophobicContact CG2-CG2 3.95Å; I7-V66 CarbonylContact C-O 3.54Å; I7-V66 WeakPolarHBondContact CA-O 3.25Å; I7-I122 HydrophobicContact CD1-CD1 3.64Å; I7-I122 HydrophobicContact CD1-CG1 4.21Å; I7-I122 HydrophobicContact CG1-CD1 4.41Å; I7-F135 HydrophobicContact CD1-CB 4.29Å; I7-F135 HydrophobicContact CD1-CD1 3.87Å; I7-F135 HydrophobicContact CD1-CG 4.33Å; I7-L136 PolarHBondContact N-O 3.46Å; I7-V137 HydrophobicContact CD1-CG2 4.47Å; I7-V137 CarbonylContact O-C 3.48Å; I7-V137 WeakPolarHBondContact O-CA 3.48Å; I7-F138 PolarHBondContact O-N 3.3Å; I7-L153 HydrophobicContact CD1-CD2 4.3Å; I7-L153 HydrophobicContact CG2-CD2 3.8Å; I7-L157 HydrophobicContact CD1-CD1 3.82Å
8	H	98.6	Very high	94.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.3	-175.3	-59.6	-80.9	0	0	0	108.8	S6 G13 G17 W21 V66 F67 V68 F138	S6-H8 WeakPolarHBondContact CB-NE2 3.36Å; H8-G13 PolarHBondContact ND1-O 3.01Å; H8-G17 WeakPolarHBondContact CE1-CA 3.47Å; H8-G17 WeakPolarHBondContact ND1-CA 3.44Å; H8-W21 AromaticContact NE2-NE1 3.27Å; H8-W21 PolarHBondContact NE2-NE1 3.35Å; H8-V66 PolarHBondContact N-O 3.39Å; H8-F67 HydrophobicContact CB-CD1 3.63Å; H8-F67 HydrophobicContact CB-CE1 3.95Å; H8-F67 HydrophobicContact CB-CG 4.17Å; H8-F67 AromaticContact CD2-CE1 3.87Å; H8-F67 AromaticContact CD2-CE2 3.99Å; H8-F67 AromaticContact CD2-CZ 3.8Å; H8-F67 AromaticContact CG-CE1 3.83Å; H8-V68 PolarHBondContact O-N 2.92Å; H8-F138 AromaticContact CE1-CD2 3.22Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.33Å; H8-F138 AromaticContact CE1-CE2 3.57Å; H8-F138 AromaticContact CE1-CG 3.69Å; H8-F138 AromaticContact ND1-CD2 3.43Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.31Å; H8-F138 AromaticContact ND1-CG 3.53Å
9	V	98.4	Very high	94.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.2	-170.4	-177.9	0	0	0	0	111.6	I7 V68 F138 H139 T145 F149 T150 L153	I7-V9 HydrophobicContact CG2-CG2 3.95Å; V9-V68 WeakPolarHBondContact CA-O 3.41Å; V9-F138 PolarHBondContact N-O 2.91Å; V9-H139 HydrophobicContact CB-CB 4.28Å; V9-T145 HydrophobicContact CG1-CG2 3.99Å; V9-F149 HydrophobicContact CG1-CB 4.34Å; V9-F149 HydrophobicContact CG1-CD1 3.72Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.45Å; V9-L153 HydrophobicContact CG2-CD2 4.24Å
10	G	97	Very high	94.3	Very high	2 Å²	2	22.2 Å²	22.2	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	69.7	174	179.7	0	0	0	0	0	113.5	A12 G13 V14 V68	G10-A12 PolarHBondContact O-N 3.28Å; G10-G13 PolarHBondContact O-N 2.83Å; G10-G13 VanDerWaalsContact O-N 3.13Å; G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.45Å; G10-V14 PolarHBondContact O-N 3.11Å; G10-V68 PolarHBondContact N-O 2.96Å
11	Q	94.9	Very high	94.5	Very high	92 Å²	92	21.2 Å²	21.2	43%	0.43	10%	0.103	S	C	.	.	H	α-helix	trans	-46.2	-52.1	-177.1	174.7	171.7	-23.9	0	0	114.1	V14 Q15 D69 V74	Q11-V14 PolarHBondContact O-N 2.98Å; Q11-Q15 HydrophobicContact CG-CG 4.5Å; Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 VanDerWaalsContact O-CG 3.3Å; Q11-Q15 WeakPolarHBondContact O-CG 3.17Å; Q11-Q15 PolarHBondContact O-N 3.5Å; Q11-D69 PolarHBondContact N-OD2 2.62Å; Q11-D69 VanDerWaalsContact N-OD2 3.16Å; Q11-V74 HydrophobicContact CB-CG2 3.88Å; Q11-V74 HydrophobicContact CG-CG1 4.41Å; Q11-V74 HydrophobicContact CG-CG2 3.72Å
12	A	94.1	Very high	95.9	Very high	23 Å²	23	18.7 Å²	18.7	19%	0.19	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-47.1	-178	0	0	0	0	0	111.9	G10 V14 Q15 I16 V171	G10-A12 PolarHBondContact O-N 3.28Å; A12-V14 PolarHBondContact O-N 3.16Å; A12-Q15 PolarHBondContact O-N 3.26Å; A12-I16 WeakPolarHBondContact O-CB 3.4Å; A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.34Å; A12-I16 PolarHBondContact O-N 3.13Å; A12-V171 HydrophobicContact CB-CG2 4.47Å
13	G	96.9	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.2	-46.9	177.7	0	0	0	0	0	111.7	H8 G10 I16 G17 F138	H8-G13 PolarHBondContact ND1-O 3.01Å; G10-G13 PolarHBondContact O-N 2.83Å; G10-G13 VanDerWaalsContact O-N 3.13Å; G13-I16 PolarHBondContact O-N 3.09Å; G13-G17 PolarHBondContact O-N 3.42Å; G13-F138 WeakPolarHBondContact CA-O 3.17Å
14	V	97.6	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.3	-46.1	179.5	172.8	0	0	0	0	111.6	G10 Q11 A12 G17 N18 F67 V74 I75 V78	G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.45Å; G10-V14 PolarHBondContact O-N 3.11Å; Q11-V14 PolarHBondContact O-N 2.98Å; A12-V14 PolarHBondContact O-N 3.16Å; V14-G17 PolarHBondContact O-N 3.02Å; V14-N18 PolarHBondContact O-N 3.48Å; V14-N18 PolarHBondContact O-ND2 2.76Å; V14-F67 HydrophobicContact CB-CD1 4.14Å; V14-F67 HydrophobicContact CG1-CD1 3.85Å; V14-F67 HydrophobicContact CG1-CE1 4.38Å; V14-F67 HydrophobicContact CG2-CB 4.42Å; V14-F67 HydrophobicContact CG2-CD1 4.05Å; V14-V74 HydrophobicContact CB-CG1 3.99Å; V14-V74 HydrophobicContact CG1-CB 4.42Å; V14-V74 HydrophobicContact CG1-CG1 3.63Å; V14-I75 HydrophobicContact CG1-CG1 4.18Å; V14-I75 HydrophobicContact CG2-CD1 4.38Å; V14-I75 HydrophobicContact CG2-CG1 4.07Å; V14-V78 HydrophobicContact CG1-CG2 3.92Å
15	Q	96.4	Very high	96.7	Very high	39 Å²	39	13 Å²	13	18%	0.182	7%	0.068	C	C	.	.	H	α-helix	trans	-69.2	-37.9	-178.9	-69.7	-179.4	-19.1	0	0	112.8	Q11 A12 A19 V74 N228	Q11-Q15 HydrophobicContact CG-CG 4.5Å; Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 VanDerWaalsContact O-CG 3.3Å; Q11-Q15 WeakPolarHBondContact O-CG 3.17Å; Q11-Q15 PolarHBondContact O-N 3.5Å; A12-Q15 PolarHBondContact O-N 3.26Å; Q15-A19 PolarHBondContact O-N 3.32Å; Q15-V74 HydrophobicContact CG-CG1 3.68Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.44Å
16	I	96.7	Very high	96.6	Very high	7 Å²	7	15.9 Å²	15.9	4%	0.036	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-45.2	171.4	-69.8	166.9	0	0	0	109.7	A12 G13 N18 A19 C20 F138 V171 N228 I231	A12-I16 WeakPolarHBondContact O-CB 3.4Å; A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.34Å; A12-I16 PolarHBondContact O-N 3.13Å; G13-I16 PolarHBondContact O-N 3.09Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.25Å; I16-A19 PolarHBondContact O-N 3.35Å; I16-A19 VanDerWaalsContact O-N 3.11Å; I16-C20 PolarHBondContact O-N 2.84Å; I16-C20 PolarHBondContact O-SG 3.08Å; I16-F138 HydrophobicContact CG2-CD1 3.99Å; I16-V171 HydrophobicContact CD1-CG2 3.34Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.24Å; I16-I231 HydrophobicContact CD1-CD1 3.99Å; I16-I231 HydrophobicContact CD1-CG2 4.31Å; I16-I231 HydrophobicContact CG1-CD1 4.23Å; I16-I231 HydrophobicContact CG1-CG2 4.36Å; I16-I231 HydrophobicContact CG2-CG2 3.78Å
17	G	96.9	Very high	96.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-54.3	-46.4	176.1	0	0	0	0	0	112.8	H8 G13 V14 A19 C20 W21	H8-G17 WeakPolarHBondContact CE1-CA 3.47Å; H8-G17 WeakPolarHBondContact ND1-CA 3.44Å; G13-G17 PolarHBondContact O-N 3.42Å; V14-G17 PolarHBondContact O-N 3.02Å; G17-A19 VanDerWaalsContact C-N 3.33Å; G17-A19 PolarHBondContact O-N 3.1Å; G17-C20 PolarHBondContact O-N 3.28Å; G17-W21 PolarHBondContact O-N 2.92Å
18	N	96.6	Very high	95.9	Very high	43 Å²	43	17.5 Å²	17.5	23%	0.23	9%	0.091	C	C	.	.	H	α-helix	trans	-56.8	-45.6	175.8	-74.2	-27.5	0	0	0	112.5	V14 I16 E22 V78	V14-N18 PolarHBondContact O-N 3.48Å; V14-N18 PolarHBondContact O-ND2 2.76Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.25Å; N18-E22 WeakPolarHBondContact O-CB 3.26Å; N18-E22 PolarHBondContact O-N 2.95Å; N18-V78 VanDerWaalsContact ND2-CG2 3.28Å; N18-V78 WeakPolarHBondContact ND2-CG2 3.41Å; N18-V78 WeakPolarHBondContact OD1-CG2 3.5Å
19	A	96.6	Very high	95.5	Very high	9 Å²	9	19.2 Å²	19.2	7%	0.074	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-40.2	178.2	0	0	0	0	0	112	Q15 I16 G17 L23 N228	Q15-A19 PolarHBondContact O-N 3.32Å; I16-A19 PolarHBondContact O-N 3.35Å; I16-A19 VanDerWaalsContact O-N 3.11Å; G17-A19 VanDerWaalsContact C-N 3.33Å; G17-A19 PolarHBondContact O-N 3.1Å; A19-L23 WeakPolarHBondContact O-CB 3.33Å; A19-L23 PolarHBondContact O-N 2.74Å; A19-L23 VanDerWaalsContact O-N 3.1Å; A19-N228 HydrophobicContact CB-CB 4.12Å
20	C	97.3	Very high	95.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-48.3	175.8	-69.3	0	0	0	0	112	I16 G17 L23 Y24	I16-C20 PolarHBondContact O-N 2.84Å; I16-C20 PolarHBondContact O-SG 3.08Å; G17-C20 PolarHBondContact O-N 3.28Å; C20-L23 PolarHBondContact O-N 2.78Å; C20-Y24 HydrophobicContact CB-CE2 4.4Å; C20-Y24 WeakPolarHBondContact O-CD1 3.19Å; C20-Y24 PolarHBondContact O-N 2.86Å
21	W	97.2	Very high	94.9	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-72	-32.5	-179	-72.4	109.2	0	0	0	113.1	H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87	H8-W21 AromaticContact NE2-NE1 3.27Å; H8-W21 PolarHBondContact NE2-NE1 3.35Å; G17-W21 PolarHBondContact O-N 2.92Å; W21-L23 VanDerWaalsContact C-N 3.31Å; W21-Y24 HydrophobicContact CD2-CD2 4.02Å; W21-Y24 AromaticContact CE3-CD2 3.64Å; W21-Y24 HydrophobicContact CE3-CD2 3.64Å; W21-Y24 HydrophobicContact CE3-CE2 4.5Å; W21-Y24 HydrophobicContact CE3-CG 4.5Å; W21-Y24 HydrophobicContact CH2-CD2 4.4Å; W21-Y24 AromaticContact CZ3-CD2 3.85Å; W21-Y24 HydrophobicContact CZ3-CD2 3.85Å; W21-Y24 PolarHBondContact O-N 3.47Å; W21-C25 WeakPolarHBondContact O-CB 3.39Å; W21-C25 PolarHBondContact O-N 3.36Å; W21-C25 PolarHBondContact O-SG 3.13Å; W21-F52 HydrophobicContact CH2-CB 4.04Å; W21-F52 AromaticContact CH2-CD1 3.84Å; W21-F52 HydrophobicContact CH2-CD1 3.84Å; W21-F52 HydrophobicContact CH2-CG 4.43Å; W21-F52 WeakPolarHBondContact CH2-O 3.22Å; W21-F52 HydrophobicContact CZ2-CD1 4.48Å; W21-F52 HydrophobicContact CZ3-CB 4.18Å; W21-F52 HydrophobicContact CZ3-CD1 4.38Å; W21-F53 HydrophobicContact CE3-CE1 4.11Å; W21-F53 AromaticContact CE3-CZ 3.86Å; W21-F53 HydrophobicContact CE3-CZ 3.86Å; W21-F53 HydrophobicContact CZ3-CD1 4.47Å; W21-F53 AromaticContact CZ3-CE1 3.95Å; W21-F53 HydrophobicContact CZ3-CE1 3.95Å; W21-F53 HydrophobicContact CZ3-CE2 4.04Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; W21-P63 HydrophobicContact CD2-CB 3.95Å; W21-P63 HydrophobicContact CD2-CG 4.22Å; W21-P63 HydrophobicContact CE3-CB 3.7Å; W21-P63 HydrophobicContact CE3-CG 3.82Å; W21-P63 HydrophobicContact CH2-CB 3.7Å; W21-P63 HydrophobicContact CZ2-CB 3.93Å; W21-P63 HydrophobicContact CZ3-CB 3.57Å; W21-P63 HydrophobicContact CZ3-CG 4.04Å; W21-A65 HydrophobicContact CZ2-CB 3.64Å; W21-F67 AromaticContact CD1-CZ 3.7Å; W21-F87 HydrophobicContact CB-CE1 4.32Å; W21-F87 HydrophobicContact CB-CZ 3.85Å; W21-F87 AromaticContact CD1-CE1 3.9Å; W21-F87 AromaticContact CD1-CZ 3.96Å; W21-F87 HydrophobicContact CD2-CE1 4.31Å; W21-F87 AromaticContact CG-CE1 3.93Å; W21-F87 HydrophobicContact CG-CE1 3.93Å; W21-F87 AromaticContact CG-CZ 3.91Å; W21-F87 HydrophobicContact CG-CZ 3.91Å
22	E	96.6	Very high	94.9	Very high	51 Å²	51	21.3 Å²	21.3	24%	0.238	12%	0.122	C	C	.	.	H	α-helix	trans	-55.1	-50.2	167.3	173.1	176.7	-141.2	0	0	110	N18 C25 L26 Y83 V363	N18-E22 WeakPolarHBondContact O-CB 3.26Å; N18-E22 PolarHBondContact O-N 2.95Å; E22-C25 PolarHBondContact O-N 3.09Å; E22-L26 HydrophobicContact CG-CD1 4.31Å; E22-L26 WeakPolarHBondContact O-CG 3.34Å; E22-L26 PolarHBondContact O-N 3.25Å; E22-L26 VanDerWaalsContact O-N 3.13Å; E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.81Å; E22-V363 HydrophobicContact CG-CG1 4.22Å; E22-V363 HydrophobicContact CG-CG2 4.42Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.33Å
23	L	95.9	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-42.7	179.9	-178.5	57.8	0	0	0	112.7	A19 C20 W21 C25 L26 E27 S232 Q233 T361 V363	A19-L23 WeakPolarHBondContact O-CB 3.33Å; A19-L23 PolarHBondContact O-N 2.74Å; A19-L23 VanDerWaalsContact O-N 3.1Å; C20-L23 PolarHBondContact O-N 2.78Å; W21-L23 VanDerWaalsContact C-N 3.31Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 2.82Å; L23-L26 PolarHBondContact O-N 3.3Å; L23-E27 HydrophobicContact CD1-CG 4.21Å; L23-E27 HydrophobicContact CG-CG 4.44Å; L23-E27 WeakPolarHBondContact O-CG 3.37Å; L23-E27 PolarHBondContact O-N 2.9Å; L23-S232 WeakPolarHBondContact CD2-O 3.36Å; L23-Q233 HydrophobicContact CD2-CG 4.3Å; L23-T361 HydrophobicContact CD1-CG2 4.29Å; L23-T361 WeakPolarHBondContact CD1-O 3.37Å; L23-V363 HydrophobicContact CD1-CG2 4.35Å
24	Y	95.6	Very high	94.3	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-41.6	177	-64.1	-14	0	0	0	111.8	C20 W21 L26 E27 H28 F52 V235 T239	C20-Y24 HydrophobicContact CB-CE2 4.4Å; C20-Y24 WeakPolarHBondContact O-CD1 3.19Å; C20-Y24 PolarHBondContact O-N 2.86Å; W21-Y24 HydrophobicContact CD2-CD2 4.02Å; W21-Y24 AromaticContact CE3-CD2 3.64Å; W21-Y24 HydrophobicContact CE3-CD2 3.64Å; W21-Y24 HydrophobicContact CE3-CE2 4.5Å; W21-Y24 HydrophobicContact CE3-CG 4.5Å; W21-Y24 HydrophobicContact CH2-CD2 4.4Å; W21-Y24 AromaticContact CZ3-CD2 3.85Å; W21-Y24 HydrophobicContact CZ3-CD2 3.85Å; W21-Y24 PolarHBondContact O-N 3.47Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 3.32Å; Y24-E27 PolarHBondContact O-N 2.94Å; Y24-H28 PolarHBondContact O-CD2 2.87Å; Y24-H28 PolarHBondContact O-N 3.35Å; Y24-F52 HydrophobicContact CD2-CD1 4.27Å; Y24-F52 AromaticContact CE2-CD1 3.89Å; Y24-F52 HydrophobicContact CE2-CD1 3.89Å; Y24-F52 AromaticContact CE2-CE1 3.95Å; Y24-F52 HydrophobicContact CE2-CE1 3.95Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.42Å; Y24-T239 PolarHBondContact OH-OG1 2.87Å
25	C	94.4	Very high	93.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-43.7	175.7	-70	0	0	0	0	111.5	W21 E22 L23 H28 G29 I30 Y83 L86	W21-C25 WeakPolarHBondContact O-CB 3.39Å; W21-C25 PolarHBondContact O-N 3.36Å; W21-C25 PolarHBondContact O-SG 3.13Å; E22-C25 PolarHBondContact O-N 3.09Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 2.82Å; C25-H28 PolarHBondContact O-N 2.95Å; C25-G29 PolarHBondContact O-N 3.37Å; C25-I30 HydrophobicContact CB-CB 4.27Å; C25-I30 WeakPolarHBondContact CB-O 3.35Å; C25-I30 PolarHBondContact O-N 2.85Å; C25-Y83 HydrophobicContact CB-CE1 3.93Å; C25-L86 VanDerWaalsContact SG-CD2 3.51Å
26	L	93.9	Very high	93.3	Very high	61 Å²	61	27.4 Å²	27.4	32%	0.319	15%	0.149	S	C	.	.	H	α-helix	trans	-64.9	-40.7	177.7	-68.2	170.2	0	0	0	112.6	E22 L23 Y24 H28 G29 T361 V363	E22-L26 HydrophobicContact CG-CD1 4.31Å; E22-L26 WeakPolarHBondContact O-CG 3.34Å; E22-L26 PolarHBondContact O-N 3.25Å; E22-L26 VanDerWaalsContact O-N 3.13Å; L23-L26 PolarHBondContact O-N 3.3Å; Y24-L26 VanDerWaalsContact C-N 3.32Å; Y24-L26 PolarHBondContact O-N 3.32Å; L26-H28 VanDerWaalsContact C-N 3.33Å; L26-H28 PolarHBondContact O-N 3.34Å; L26-G29 PolarHBondContact O-N 2.86Å; L26-T361 HydrophobicContact CB-CG2 3.96Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.25Å; L26-V363 HydrophobicContact CD1-CG2 4.06Å
27	E	91.9	Very high	92	Very high	20 Å²	20	31.8 Å²	31.8	9%	0.093	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-33.7	178.8	-73.6	-173.5	176.3	0	0	112.9	L23 Y24 S236 R243 F244 R320 T361	L23-E27 HydrophobicContact CD1-CG 4.21Å; L23-E27 HydrophobicContact CG-CG 4.44Å; L23-E27 WeakPolarHBondContact O-CG 3.37Å; L23-E27 PolarHBondContact O-N 2.9Å; Y24-E27 PolarHBondContact O-N 2.94Å; E27-S236 VanDerWaalsContact CD-OG 3.25Å; E27-S236 PolarHBondContact OE1-OG 2.68Å; E27-S236 PolarHBondContact OE2-OG 2.92Å; E27-R243 IonicContact OE2-CZ 3.94Å; E27-R243 IonicContact OE2-NH1 3.86Å; E27-R243 PolarHBondContact OE2-NH1 2.97Å; E27-R243 IonicContact OE2-NH2 2.83Å; E27-R243 PolarHBondContact OE2-NH2 3.1Å; E27-F244 HydrophobicContact CB-CZ 3.98Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.35Å; E27-R320 IonicContact OE1-CZ 3.82Å; E27-R320 IonicContact OE1-NH1 2.76Å; E27-R320 PolarHBondContact OE1-NH1 3.12Å; E27-R320 IonicContact OE1-NH2 3.19Å; E27-R320 IonicContact OE2-CZ 3.6Å; E27-R320 IonicContact OE2-NH1 3.9Å; E27-R320 IonicContact OE2-NH2 2.7Å; E27-R320 PolarHBondContact OE2-NH2 3.45Å; E27-T361 HydrophobicContact CG-CG2 4.25Å
28	H	90.3	Very high	90.5	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.069	21%	0.206	C	C	.	.	H	α-helix	trans	-96.9	-0.2	179.6	-65.2	-67.8	0	0	0	113.8	Y24 C25 L26 I30 M36 F49 R243 F244	Y24-H28 PolarHBondContact O-CD2 2.87Å; Y24-H28 PolarHBondContact O-N 3.35Å; C25-H28 PolarHBondContact O-N 2.95Å; L26-H28 VanDerWaalsContact C-N 3.33Å; L26-H28 PolarHBondContact O-N 3.34Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.98Å; H28-I30 HydrophobicContact CB-CG1 4.08Å; H28-I30 PolarHBondContact O-N 2.86Å; H28-M36 WeakPolarHBondContact O-CE 3.34Å; H28-F49 VanDerWaalsContact CE1-CB 3.48Å; H28-F49 WeakPolarHBondContact CE1-CB 3.39Å; H28-F49 WeakPolarHBondContact ND1-CB 3.41Å; H28-R243 PolarHBondContact NE2-NH1 3.35Å; H28-F244 AromaticContact CE1-CD1 3.92Å; H28-F244 AromaticContact CE1-CE1 3.17Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.44Å; H28-F244 AromaticContact CE1-CZ 3.24Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.48Å; H28-F244 AromaticContact ND1-CE1 3.49Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.19Å; H28-F244 AromaticContact ND1-CZ 3.77Å; H28-F244 AromaticContact NE2-CZ 3.68Å
29	G	89.8	Confident	88.6	Confident	38 Å²	38	35 Å²	35	39%	0.392	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	28.6	-178.5	0	0	0	0	0	114.1	C25 L26	C25-G29 PolarHBondContact O-N 3.37Å; L26-G29 PolarHBondContact O-N 2.86Å
30	I	91.6	Very high	86.6	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.036	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-89	127.5	176.3	-60.2	170.8	0	0	0	108.6	C25 H28 M36 F53 H61 L86	C25-I30 HydrophobicContact CB-CB 4.27Å; C25-I30 WeakPolarHBondContact CB-O 3.35Å; C25-I30 PolarHBondContact O-N 2.85Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.98Å; H28-I30 HydrophobicContact CB-CG1 4.08Å; H28-I30 PolarHBondContact O-N 2.86Å; I30-M36 HydrophobicContact CG1-CB 4.42Å; I30-M36 HydrophobicContact CG1-CG 4.42Å; I30-M36 HydrophobicContact CG1-SD 4.22Å; I30-F53 HydrophobicContact CD1-CD1 3.92Å; I30-F53 HydrophobicContact CD1-CD2 3.98Å; I30-F53 HydrophobicContact CD1-CE1 3.74Å; I30-F53 HydrophobicContact CD1-CE2 3.82Å; I30-F53 HydrophobicContact CD1-CG 4.04Å; I30-F53 HydrophobicContact CD1-CZ 3.69Å; I30-H61 HydrophobicContact CD1-CB 4.03Å; I30-H61 HydrophobicContact CG2-CB 4.39Å; I30-L86 HydrophobicContact CG2-CD1 4.32Å
31	H	92.4	Very high	84.5	Confident	87 Å²	87	47.4 Å²	47.4	40%	0.403	26%	0.261	S	S	.	.			trans	-74.6	159.8	176.5	-73.1	-69.1	0	0	0	111.5	N33 G34 Q35 S37	H31-N33 WeakPolarHBondContact CB-OD1 3.46Å; H31-N33 PolarHBondContact O-N 3.31Å; H31-G34 PolarHBondContact O-N 3.42Å; H31-Q35 WeakPolarHBondContact CB-O 3.5Å; H31-Q35 PolarHBondContact CD2-O 3.47Å; H31-Q35 PolarHBondContact N-O 3.18Å; H31-S37 PolarHBondContact CD2-OG 3.13Å; H31-S37 VanDerWaalsContact CD2-OG 3.32Å; H31-S37 PolarHBondContact NE2-OG 2.98Å
32	P	93.4	Very high	82.5	Confident	44 Å²	44	53.3 Å²	53.3	29%	0.286	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.1	178.6	-25.3	34.6	0	0	0	115.9	T82 Y83	P32-T82 HydrophobicContact CB-CG2 4.13Å; P32-T82 WeakPolarHBondContact CB-O 3.37Å; P32-T82 HydrophobicContact CG-CG2 4.07Å; P32-Y83 HydrophobicContact CB-CD1 3.78Å; P32-Y83 HydrophobicContact CB-CE1 3.86Å; P32-Y83 HydrophobicContact CB-CG 4.37Å; P32-Y83 HydrophobicContact CG-CD1 4.34Å; P32-Y83 HydrophobicContact CG-CE1 3.91Å
33	N	89.9	Confident	80.3	Confident	55 Å²	55	54 Å²	54	29%	0.294	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.2	174	68.8	-10.2	0	0	0	113.7	H31 Q35	H31-N33 WeakPolarHBondContact CB-OD1 3.46Å; H31-N33 PolarHBondContact O-N 3.31Å; N33-Q35 VanDerWaalsContact C-N 3.34Å; N33-Q35 PolarHBondContact ND2-OE1 3.37Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.42Å; N33-Q35 PolarHBondContact OD1-N 2.8Å
34	G	89.6	Confident	77.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	34%	0.339	C	S	.	.	S	Bend	trans	84.1	-1.3	-177.8	0	0	0	0	0	114.8	H31 N60 H61	H31-G34 PolarHBondContact O-N 3.42Å; G34-N60 WeakPolarHBondContact O-CA 3.43Å; G34-H61 PolarHBondContact O-N 3.08Å; G34-H61 PolarHBondContact O-ND1 2.88Å
35	Q	89.1	Confident	75.7	Confident	99 Å²	99	57.6 Å²	57.6	46%	0.463	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-83.2	139.9	177.9	-66.2	-166.4	-34.8	0	0	111.7	H31 N33 N60	H31-Q35 WeakPolarHBondContact CB-O 3.5Å; H31-Q35 PolarHBondContact CD2-O 3.47Å; H31-Q35 PolarHBondContact N-O 3.18Å; N33-Q35 VanDerWaalsContact C-N 3.34Å; N33-Q35 PolarHBondContact ND2-OE1 3.37Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.42Å; N33-Q35 PolarHBondContact OD1-N 2.8Å; Q35-N60 WeakPolarHBondContact CG-OD1 3.39Å
36	M	84.4	Confident	73.8	Confident	35 Å²	35	64.2 Å²	64.2	17%	0.172	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-108	124.8	175	-170.7	166	173.2	0	0	109.1	H28 I30 S38 D39 F49	H28-M36 WeakPolarHBondContact O-CE 3.34Å; I30-M36 HydrophobicContact CG1-CB 4.42Å; I30-M36 HydrophobicContact CG1-CG 4.42Å; I30-M36 HydrophobicContact CG1-SD 4.22Å; M36-S38 VanDerWaalsContact C-N 3.29Å; M36-S38 WeakPolarHBondContact CE-OG 3.33Å; M36-S38 WeakPolarHBondContact CG-OG 3.49Å; M36-S38 PolarHBondContact O-N 3.45Å; M36-D39 HydrophobicContact CB-CB 4.27Å; M36-D39 HydrophobicContact CG-CB 4.28Å; M36-D39 HydrophobicContact SD-CB 4.38Å; M36-F49 HydrophobicContact CE-CE1 3.96Å; M36-F49 HydrophobicContact CE-CZ 4.23Å; M36-F49 HydrophobicContact SD-CE1 4.24Å; M36-F49 HydrophobicContact SD-CE2 4.37Å; M36-F49 HydrophobicContact SD-CZ 3.91Å
37	S	69.8	Low	72.6	Confident	99 Å²	99	64.8 Å²	64.8	69%	0.692	39%	0.389	S	S	*	.	S	Bend	trans	-75.7	-19.1	-175.9	-55.2	0	0	0	0	113.7	H31	H31-S37 PolarHBondContact CD2-OG 3.13Å; H31-S37 VanDerWaalsContact CD2-OG 3.32Å; H31-S37 PolarHBondContact NE2-OG 2.98Å
38	S	63.4	Low	71.6	Confident	76 Å²	76	65.5 Å²	65.5	53%	0.531	40%	0.396	S	S	.	.	S	Bend	trans	-99.9	-10.7	-172	48.5	0	0	0	0	114.2	M36 K40	M36-S38 VanDerWaalsContact C-N 3.29Å; M36-S38 WeakPolarHBondContact CE-OG 3.33Å; M36-S38 WeakPolarHBondContact CG-OG 3.49Å; M36-S38 PolarHBondContact O-N 3.45Å; S38-K40 PolarHBondContact O-N 3.37Å
39	D	57.9	Low	71	Confident	34 Å²	34	65.4 Å²	65.4	18%	0.182	40%	0.395	C	S	.	.			trans	-78.2	113.4	-176.6	-167.3	-0.2	0	0	0	110.5	M36 T41 H61	M36-D39 HydrophobicContact CB-CB 4.27Å; M36-D39 HydrophobicContact CG-CB 4.28Å; M36-D39 HydrophobicContact SD-CB 4.38Å; D39-T41 PolarHBondContact OD1-N 3.07Å; D39-T41 PolarHBondContact OD1-OG1 3Å; D39-H61 IonicContact OD2-CE1 3.19Å; D39-H61 IonicContact OD2-NE2 3.24Å
40	K	54	Low	70.8	Confident	201 Å²	201	64.3 Å²	64.3	87%	0.874	38%	0.38	S	S	*	.			trans	-94.4	1.5	177.8	-68.7	-175	-179.9	177.8	0	112	S38	S38-K40 PolarHBondContact O-N 3.37Å
41	T	54.1	Low	70.6	Confident	69 Å²	69	64.5 Å²	64.5	42%	0.423	38%	0.382	S	S	.	.			trans	-133.4	63.9	-167.7	30.8	0	0	0	0	111.2	D39 G43 G44	D39-T41 PolarHBondContact OD1-N 3.07Å; D39-T41 PolarHBondContact OD1-OG1 3Å; T41-G43 PolarHBondContact O-N 3.02Å; T41-G43 VanDerWaalsContact O-N 3.11Å; T41-G44 WeakPolarHBondContact CB-O 3.34Å; T41-G44 PolarHBondContact O-N 2.96Å; T41-G44 VanDerWaalsContact O-N 3.16Å
42	I	53.8	Low	70.6	Confident	127 Å²	127	60.3 Å²	60.3	65%	0.651	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	118.6	169.9	-58.8	171.2	0	0	0	109.1	E55	I42-E55 WeakPolarHBondContact CA-OE1 3.41Å
43	G	51.2	Low	70.7	Confident	66 Å²	66	58.2 Å²	58.2	68%	0.68	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	20.4	175.9	0	0	0	0	0	116.1	T41 E55	T41-G43 PolarHBondContact O-N 3.02Å; T41-G43 VanDerWaalsContact O-N 3.11Å; G43-E55 PolarHBondContact N-OE1 3.29Å; G43-E55 PolarHBondContact N-OE2 2.81Å
44	G	46.3	Very low	70.7	Confident	52 Å²	52	56.4 Å²	56.4	54%	0.536	34%	0.341	S	S	.	.			trans	-170.5	71	179.5	0	0	0	0	0	115.1	T41	T41-G44 WeakPolarHBondContact CB-O 3.34Å; T41-G44 PolarHBondContact O-N 2.96Å; T41-G44 VanDerWaalsContact O-N 3.16Å
45	G	47.7	Very low	70.7	Confident	23 Å²	23	59 Å²	59	24%	0.237	35%	0.353	C	S	.	.			trans	-145	117.8	167.5	0	0	0	0	0	110.5	D47 N50	G45-D47 PolarHBondContact O-N 3.33Å; G45-N50 PolarHBondContact O-ND2 3.19Å
46	D	54.7	Low	70.5	Confident	140 Å²	140	56.8 Å²	56.8	75%	0.749	35%	0.346	S	S	*	.			trans	-73.6	46.5	172	-120.4	-11.6	0	0	0	109.8
47	D	68.4	Low	70.4	Confident	73 Å²	73	59.2 Å²	59.2	39%	0.39	38%	0.38	S	S	.	.			trans	-78.4	140.7	-174.2	-73	-18.4	0	0	0	110.9	G45 F49 N50	G45-D47 PolarHBondContact O-N 3.33Å; D47-F49 HydrophobicContact CB-CD1 3.62Å; D47-F49 HydrophobicContact CB-CE1 3.2Å; D47-F49 HydrophobicContact CB-CE2 4.45Å; D47-F49 HydrophobicContact CB-CG 4.41Å; D47-F49 HydrophobicContact CB-CZ 3.68Å; D47-F49 PolarHBondContact O-N 2.8Å; D47-F49 VanDerWaalsContact OD2-CE1 3.31Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.35Å; D47-N50 WeakPolarHBondContact O-CB 3.24Å; D47-N50 PolarHBondContact O-N 3.44Å
48	S	72.1	Confident	71	Confident	35 Å²	35	58 Å²	58	25%	0.245	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-57.5	-18.5	-173	63.8	0	0	0	0	114.7	T51 R243	S48-T51 WeakPolarHBondContact O-CB 3.48Å; S48-T51 PolarHBondContact O-OG1 2.98Å; S48-R243 CarbonylContact C-O 3.58Å; S48-R243 VanDerWaalsContact C-O 3.31Å; S48-R243 VanDerWaalsContact CB-O 3.3Å; S48-R243 WeakPolarHBondContact CB-O 3.38Å; S48-R243 PolarHBondContact OG-O 2.91Å
49	F	77.2	Confident	71.9	Confident	13 Å²	13	55 Å²	55	6%	0.057	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-80.8	-16.7	178.8	63.7	-102.1	0	0	0	114.1	H28 M36 D47 T51 F52 F53 H61	H28-F49 VanDerWaalsContact CE1-CB 3.48Å; H28-F49 WeakPolarHBondContact CE1-CB 3.39Å; H28-F49 WeakPolarHBondContact ND1-CB 3.41Å; M36-F49 HydrophobicContact CE-CE1 3.96Å; M36-F49 HydrophobicContact CE-CZ 4.23Å; M36-F49 HydrophobicContact SD-CE1 4.24Å; M36-F49 HydrophobicContact SD-CE2 4.37Å; M36-F49 HydrophobicContact SD-CZ 3.91Å; D47-F49 HydrophobicContact CB-CD1 3.62Å; D47-F49 HydrophobicContact CB-CE1 3.2Å; D47-F49 HydrophobicContact CB-CE2 4.45Å; D47-F49 HydrophobicContact CB-CG 4.41Å; D47-F49 HydrophobicContact CB-CZ 3.68Å; D47-F49 PolarHBondContact O-N 2.8Å; D47-F49 VanDerWaalsContact OD2-CE1 3.31Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.35Å; F49-T51 PolarHBondContact O-N 3.38Å; F49-F52 PolarHBondContact O-N 2.85Å; F49-F53 PolarHBondContact O-N 2.86Å; F49-F53 VanDerWaalsContact O-N 3.14Å; F49-H61 AromaticContact CE2-CD2 3.61Å; F49-H61 AromaticContact CE2-NE2 3.59Å
50	N	85.2	Confident	73.4	Confident	14 Å²	14	55.9 Å²	55.9	8%	0.075	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-63.6	-13	174.6	-75.3	-25.3	0	0	0	113.3	M1 G45 D47 F52 F53 R64	M1-N50 HydrophobicContact SD-CB 3.77Å; G45-N50 PolarHBondContact O-ND2 3.19Å; D47-N50 WeakPolarHBondContact O-CB 3.24Å; D47-N50 PolarHBondContact O-N 3.44Å; N50-F52 PolarHBondContact O-N 3.42Å; N50-F53 CarbonylContact C-O 3.31Å; N50-F53 WeakPolarHBondContact CA-O 3.4Å; N50-R64 PolarHBondContact O-NE 3.44Å; N50-R64 VanDerWaalsContact O-NE 3.16Å; N50-R64 PolarHBondContact O-NH2 3.13Å
51	T	88.2	Confident	75.2	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.067	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-54.3	-38.9	166.3	-56	0	0	0	0	111.9	R2 E3 C4 S48 F49 L242	R2-T51 WeakPolarHBondContact O-CG2 3.37Å; E3-T51 WeakPolarHBondContact CA-O 3.41Å; C4-T51 PolarHBondContact N-O 3.41Å; S48-T51 WeakPolarHBondContact O-CB 3.48Å; S48-T51 PolarHBondContact O-OG1 2.98Å; F49-T51 PolarHBondContact O-N 3.38Å; T51-L242 WeakPolarHBondContact CB-O 3.5Å; T51-L242 HydrophobicContact CG2-CB 4.17Å; T51-L242 VanDerWaalsContact CG2-O 3.31Å; T51-L242 WeakPolarHBondContact CG2-O 3.37Å; T51-L242 PolarHBondContact OG1-O 3.4Å
52	F	93.1	Very high	77.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-19.6	-175.7	-82.5	-113	0	0	0	113.7	C4 W21 Y24 F49 N50 R64 L136 T239 L242 R243	C4-F52 HydrophobicContact CB-CE2 4.11Å; C4-F52 HydrophobicContact CB-CZ 4.26Å; W21-F52 HydrophobicContact CH2-CB 4.04Å; W21-F52 AromaticContact CH2-CD1 3.84Å; W21-F52 HydrophobicContact CH2-CD1 3.84Å; W21-F52 HydrophobicContact CH2-CG 4.43Å; W21-F52 WeakPolarHBondContact CH2-O 3.22Å; W21-F52 HydrophobicContact CZ2-CD1 4.48Å; W21-F52 HydrophobicContact CZ3-CB 4.18Å; W21-F52 HydrophobicContact CZ3-CD1 4.38Å; Y24-F52 HydrophobicContact CD2-CD1 4.27Å; Y24-F52 AromaticContact CE2-CD1 3.89Å; Y24-F52 HydrophobicContact CE2-CD1 3.89Å; Y24-F52 AromaticContact CE2-CE1 3.95Å; Y24-F52 HydrophobicContact CE2-CE1 3.95Å; F49-F52 PolarHBondContact O-N 2.85Å; N50-F52 PolarHBondContact O-N 3.42Å; F52-R64 WeakPolarHBondContact O-CB 3.42Å; F52-R64 PolarHBondContact O-N 3.1Å; F52-L136 HydrophobicContact CE1-CD1 3.81Å; F52-L136 HydrophobicContact CZ-CD1 3.69Å; F52-T239 HydrophobicContact CE1-CG2 4.43Å; F52-T239 HydrophobicContact CZ-CG2 4.03Å; F52-L242 HydrophobicContact CE2-CB 3.8Å; F52-L242 HydrophobicContact CE2-CD1 4.11Å; F52-L242 HydrophobicContact CZ-CD1 4.14Å; F52-R243 HydrophobicContact CD2-CG 3.39Å; F52-R243 HydrophobicContact CE2-CG 3.59Å; F52-R243 HydrophobicContact CG-CG 3.93Å; F52-R243 HydrophobicContact CZ-CG 4.24Å
53	F	93.6	Very high	79.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.6	178.2	-64.4	-92.1	0	0	0	111.1	W21 I30 F49 N50 H61 V62 P63 R64	W21-F53 HydrophobicContact CE3-CE1 4.11Å; W21-F53 AromaticContact CE3-CZ 3.86Å; W21-F53 HydrophobicContact CE3-CZ 3.86Å; W21-F53 HydrophobicContact CZ3-CD1 4.47Å; W21-F53 AromaticContact CZ3-CE1 3.95Å; W21-F53 HydrophobicContact CZ3-CE1 3.95Å; W21-F53 HydrophobicContact CZ3-CE2 4.04Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; I30-F53 HydrophobicContact CD1-CD1 3.92Å; I30-F53 HydrophobicContact CD1-CD2 3.98Å; I30-F53 HydrophobicContact CD1-CE1 3.74Å; I30-F53 HydrophobicContact CD1-CE2 3.82Å; I30-F53 HydrophobicContact CD1-CG 4.04Å; I30-F53 HydrophobicContact CD1-CZ 3.69Å; F49-F53 PolarHBondContact O-N 2.86Å; F49-F53 VanDerWaalsContact O-N 3.14Å; N50-F53 CarbonylContact C-O 3.31Å; N50-F53 WeakPolarHBondContact CA-O 3.4Å; F53-H61 HydrophobicContact CB-CB 4.31Å; F53-H61 HydrophobicContact CD1-CB 4.12Å; F53-H61 HydrophobicContact CG-CB 4.46Å; F53-V62 CarbonylContact C-O 3.42Å; F53-V62 WeakPolarHBondContact CA-O 3.26Å; F53-P63 HydrophobicContact CD1-CG 4.18Å; F53-P63 HydrophobicContact CE1-CG 3.87Å; F53-R64 PolarHBondContact O-NE 2.91Å; F53-R64 PolarHBondContact O-NH2 3.32Å
54	S	91.6	Very high	81.3	Confident	17 Å²	17	35.7 Å²	35.7	12%	0.119	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.4	163.3	58.1	0	0	0	0	109.6	H61 V62	S54-H61 CarbonylContact O-C 3.48Å; S54-H61 WeakPolarHBondContact O-CA 3.34Å; S54-V62 PolarHBondContact N-O 2.9Å; S54-V62 PolarHBondContact O-N 2.76Å; S54-V62 PolarHBondContact OG-O 3.5Å
55	E	88	Confident	83.8	Confident	56 Å²	56	33.2 Å²	33.2	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.4	175.9	-161.7	-165.9	162.7	0	0	109.8	I42 G43	I42-E55 WeakPolarHBondContact CA-OE1 3.41Å; G43-E55 PolarHBondContact N-OE1 3.29Å; G43-E55 PolarHBondContact N-OE2 2.81Å
56	T	86.8	Confident	86.2	Confident	51 Å²	51	32.1 Å²	32.1	31%	0.313	21%	0.209	S	C	.	.			trans	-91.5	157.5	170.7	63	0	0	0	0	110.2	A58 G59 N60 V62	T56-A58 PolarHBondContact O-N 3.15Å; T56-G59 PolarHBondContact O-N 2.86Å; T56-N60 PolarHBondContact N-O 3.03Å; T56-N60 WeakPolarHBondContact OG1-CB 3.38Å; T56-N60 PolarHBondContact OG1-N 2.91Å; T56-N60 VanDerWaalsContact OG1-N 3.15Å; T56-N60 PolarHBondContact OG1-O 2.97Å; T56-V62 HydrophobicContact CG2-CG2 3.85Å
57	G	80.8	Confident	88.3	Confident	87 Å²	87	25.4 Å²	25.4	90%	0.897	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-9.3	177.2	0	0	0	0	0	115.4
58	A	82.4	Confident	89.7	Confident	72 Å²	72	22 Å²	22	60%	0.595	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	3.7	173.1	0	0	0	0	0	113.4	T56 N60	T56-A58 PolarHBondContact O-N 3.15Å; A58-N60 VanDerWaalsContact C-N 3.31Å
59	G	82.8	Confident	90.9	Very high	13 Å²	13	20.5 Å²	20.5	13%	0.134	14%	0.144	C	C	.	.	S	Bend	trans	76.2	13.2	-175.9	0	0	0	0	0	114.3	T56 H61	T56-G59 PolarHBondContact O-N 2.86Å; G59-H61 PolarHBondContact O-ND1 3.15Å
60	N	88.6	Confident	91.8	Very high	53 Å²	53	19.9 Å²	19.9	28%	0.283	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-84.4	133.4	172.6	-58.8	-33.9	0	0	0	109.9	G34 Q35 T56 A58	G34-N60 WeakPolarHBondContact O-CA 3.43Å; Q35-N60 WeakPolarHBondContact CG-OD1 3.39Å; T56-N60 PolarHBondContact N-O 3.03Å; T56-N60 WeakPolarHBondContact OG1-CB 3.38Å; T56-N60 PolarHBondContact OG1-N 2.91Å; T56-N60 VanDerWaalsContact OG1-N 3.15Å; T56-N60 PolarHBondContact OG1-O 2.97Å; A58-N60 VanDerWaalsContact C-N 3.31Å
61	H	91.8	Very high	92.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.1	176.3	-63.8	75.5	0	0	0	109.3	I30 G34 D39 F49 F53 S54 G59	I30-H61 HydrophobicContact CD1-CB 4.03Å; I30-H61 HydrophobicContact CG2-CB 4.39Å; G34-H61 PolarHBondContact O-N 3.08Å; G34-H61 PolarHBondContact O-ND1 2.88Å; D39-H61 IonicContact OD2-CE1 3.19Å; D39-H61 IonicContact OD2-NE2 3.24Å; F49-H61 AromaticContact CE2-CD2 3.61Å; F49-H61 AromaticContact CE2-NE2 3.59Å; F53-H61 HydrophobicContact CB-CB 4.31Å; F53-H61 HydrophobicContact CD1-CB 4.12Å; F53-H61 HydrophobicContact CG-CB 4.46Å; S54-H61 CarbonylContact O-C 3.48Å; S54-H61 WeakPolarHBondContact O-CA 3.34Å; G59-H61 PolarHBondContact O-ND1 3.15Å
62	V	94.7	Very high	92.4	Very high	23 Å²	23	23.3 Å²	23.3	14%	0.139	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.3	-176.7	-178.6	0	0	0	0	109.2	F53 S54 T56 H88	F53-V62 CarbonylContact C-O 3.42Å; F53-V62 WeakPolarHBondContact CA-O 3.26Å; S54-V62 PolarHBondContact N-O 2.9Å; S54-V62 PolarHBondContact O-N 2.76Å; S54-V62 PolarHBondContact OG-O 3.5Å; T56-V62 HydrophobicContact CG2-CG2 3.85Å; V62-H88 HydrophobicContact CG1-CB 4.25Å
63	P	96.6	Very high	92.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	138	174.6	-31.3	39.5	0	0	0	113.3	W21 F53 A65 L86 F87 Q91	W21-P63 HydrophobicContact CD2-CB 3.95Å; W21-P63 HydrophobicContact CD2-CG 4.22Å; W21-P63 HydrophobicContact CE3-CB 3.7Å; W21-P63 HydrophobicContact CE3-CG 3.82Å; W21-P63 HydrophobicContact CH2-CB 3.7Å; W21-P63 HydrophobicContact CZ2-CB 3.93Å; W21-P63 HydrophobicContact CZ3-CB 3.57Å; W21-P63 HydrophobicContact CZ3-CG 4.04Å; F53-P63 HydrophobicContact CD1-CG 4.18Å; F53-P63 HydrophobicContact CE1-CG 3.87Å; P63-A65 HydrophobicContact CB-CB 3.95Å; P63-A65 PolarHBondContact O-N 2.71Å; P63-L86 VanDerWaalsContact CD-O 3.23Å; P63-L86 WeakPolarHBondContact CD-O 3.34Å; P63-L86 HydrophobicContact CG-CD1 4.19Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.61Å; P63-F87 HydrophobicContact CB-CD1 3.88Å; P63-F87 HydrophobicContact CB-CE1 3.76Å; P63-F87 HydrophobicContact CG-CD1 3.77Å; P63-F87 HydrophobicContact CG-CE1 3.6Å; P63-F87 HydrophobicContact CG-CZ 4.5Å; P63-Q91 PolarHBondContact O-NE2 2.81Å
64	R	96.9	Very high	92.5	Very high	14 Å²	14	26.6 Å²	26.6	5%	0.053	18%	0.183	C	C	.	.	S	Bend	trans	-78.8	63.6	165.4	-61.1	180	-169.2	-85.3	-2.5	109.2	I5 S6 N50 F52 F53 Q128 C129	I5-R64 WeakPolarHBondContact CA-O 3.38Å; S6-R64 PolarHBondContact N-O 3.02Å; N50-R64 PolarHBondContact O-NE 3.44Å; N50-R64 VanDerWaalsContact O-NE 3.16Å; N50-R64 PolarHBondContact O-NH2 3.13Å; F52-R64 WeakPolarHBondContact O-CB 3.42Å; F52-R64 PolarHBondContact O-N 3.1Å; F53-R64 PolarHBondContact O-NE 2.91Å; F53-R64 PolarHBondContact O-NH2 3.32Å; R64-Q128 PolarHBondContact NH1-O 3.18Å; R64-C129 PolarHBondContact NH1-SG 2.86Å
65	A	97.8	Very high	92.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148	-174.9	0	0	0	0	0	111.7	S6 W21 P63 F67 F87 Q91	S6-A65 CarbonylContact O-C 3.51Å; S6-A65 WeakPolarHBondContact O-CA 3.3Å; W21-A65 HydrophobicContact CZ2-CB 3.64Å; P63-A65 HydrophobicContact CB-CB 3.95Å; P63-A65 PolarHBondContact O-N 2.71Å; A65-F67 HydrophobicContact CB-CD2 4.3Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; A65-F87 HydrophobicContact CB-CD1 4.41Å; A65-F87 HydrophobicContact CB-CE1 4.29Å; A65-Q91 VanDerWaalsContact O-CB 3.28Å; A65-Q91 WeakPolarHBondContact O-CB 3.48Å; A65-Q91 WeakPolarHBondContact O-CG 3.5Å; A65-Q91 PolarHBondContact O-NE2 3.44Å
66	V	98.4	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.4	165.4	-174.1	0	0	0	0	107.8	S6 I7 H8 V68 I93 I122 L125	S6-V66 PolarHBondContact O-N 3.22Å; I7-V66 CarbonylContact C-O 3.54Å; I7-V66 WeakPolarHBondContact CA-O 3.25Å; H8-V66 PolarHBondContact N-O 3.39Å; V66-V68 HydrophobicContact CG1-CG2 3.73Å; V66-I93 HydrophobicContact CG1-CD1 3.87Å; V66-I122 HydrophobicContact CG2-CG1 4.06Å; V66-L125 HydrophobicContact CG2-CD1 3.5Å; V66-L125 VanDerWaalsContact CG2-CD1 3.5Å
67	F	98.6	Very high	93.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.4	173.9	-68	-103.3	0	0	0	108.2	H8 V14 W21 A65 I75 F87 Q91 L92 I93	H8-F67 HydrophobicContact CB-CD1 3.63Å; H8-F67 HydrophobicContact CB-CE1 3.95Å; H8-F67 HydrophobicContact CB-CG 4.17Å; H8-F67 AromaticContact CD2-CE1 3.87Å; H8-F67 AromaticContact CD2-CE2 3.99Å; H8-F67 AromaticContact CD2-CZ 3.8Å; H8-F67 AromaticContact CG-CE1 3.83Å; V14-F67 HydrophobicContact CB-CD1 4.14Å; V14-F67 HydrophobicContact CG1-CD1 3.85Å; V14-F67 HydrophobicContact CG1-CE1 4.38Å; V14-F67 HydrophobicContact CG2-CB 4.42Å; V14-F67 HydrophobicContact CG2-CD1 4.05Å; W21-F67 AromaticContact CD1-CZ 3.7Å; A65-F67 HydrophobicContact CB-CD2 4.3Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; F67-I75 HydrophobicContact CB-CD1 4.23Å; F67-I75 HydrophobicContact CB-CG1 4.49Å; F67-F87 HydrophobicContact CD2-CD1 4.47Å; F67-F87 AromaticContact CE2-CD1 3.73Å; F67-F87 HydrophobicContact CE2-CD1 3.73Å; F67-F87 AromaticContact CE2-CE1 3.42Å; F67-F87 HydrophobicContact CE2-CE1 3.42Å; F67-F87 VanDerWaalsContact CE2-CE1 3.42Å; F67-F87 HydrophobicContact CE2-CE2 4.44Å; F67-F87 HydrophobicContact CE2-CG 4.37Å; F67-F87 AromaticContact CE2-CZ 3.81Å; F67-F87 HydrophobicContact CE2-CZ 3.81Å; F67-F87 AromaticContact CZ-CE1 3.85Å; F67-F87 HydrophobicContact CZ-CE1 3.85Å; F67-F87 HydrophobicContact CZ-CE2 4.46Å; F67-F87 AromaticContact CZ-CZ 3.79Å; F67-F87 HydrophobicContact CZ-CZ 3.79Å; F67-Q91 PolarHBondContact N-O 2.87Å; F67-L92 HydrophobicContact CB-CD2 3.78Å; F67-L92 HydrophobicContact CD2-CD2 3.66Å; F67-L92 HydrophobicContact CE2-CD2 4.49Å; F67-L92 HydrophobicContact CG-CD2 3.9Å; F67-I93 PolarHBondContact O-N 3.18Å
68	V	98.2	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.8	-176.6	-170.4	0	0	0	0	109.6	H8 V9 G10 V66 I93 I114 V118 F149	H8-V68 PolarHBondContact O-N 2.92Å; V9-V68 WeakPolarHBondContact CA-O 3.41Å; G10-V68 PolarHBondContact N-O 2.96Å; V66-V68 HydrophobicContact CG1-CG2 3.73Å; V68-I93 WeakPolarHBondContact CA-O 3.42Å; V68-I93 HydrophobicContact CG2-CB 4.46Å; V68-I93 HydrophobicContact CG2-CD1 4.47Å; V68-I114 HydrophobicContact CG1-CD1 3.58Å; V68-V118 HydrophobicContact CB-CG2 4.38Å; V68-V118 HydrophobicContact CG1-CG2 3.65Å; V68-V118 HydrophobicContact CG2-CB 4.48Å; V68-V118 HydrophobicContact CG2-CG1 3.86Å; V68-V118 HydrophobicContact CG2-CG2 3.75Å; V68-F149 HydrophobicContact CB-CE1 4.26Å; V68-F149 HydrophobicContact CG1-CD1 4.22Å; V68-F149 HydrophobicContact CG1-CE1 3.62Å; V68-F149 HydrophobicContact CG1-CZ 4.08Å
69	D	97.9	Very high	94.9	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.8	167.5	-155.8	-14	0	0	0	110.1	Q11 E71 I75 I93 T94 G95	Q11-D69 PolarHBondContact N-OD2 2.62Å; Q11-D69 VanDerWaalsContact N-OD2 3.16Å; D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.46Å; D69-I75 HydrophobicContact CB-CD1 3.73Å; D69-I75 HydrophobicContact CB-CG1 4.19Å; D69-I93 PolarHBondContact N-O 3.32Å; D69-I93 VanDerWaalsContact N-O 3.09Å; D69-T94 CarbonylContact O-C 3.01Å; D69-T94 VanDerWaalsContact O-CA 3.31Å; D69-T94 WeakPolarHBondContact O-CA 3.38Å; D69-G95 PolarHBondContact O-N 2.97Å
70	L	96.1	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-78.4	-16.6	179.8	-64.1	178.2	0	0	0	111.8	G95 K96 E97 A99 I110 I114 T145	L70-G95 CarbonylContact O-C 3.46Å; L70-G95 WeakPolarHBondContact O-CA 3.34Å; L70-K96 PolarHBondContact O-N 3.1Å; L70-K96 VanDerWaalsContact O-N 3.12Å; L70-E97 CarbonylContact C-O 3.5Å; L70-E97 WeakPolarHBondContact CB-O 3.13Å; L70-E97 CarbonylContact O-C 3.33Å; L70-E97 PolarHBondContact O-N 3.19Å; L70-A99 HydrophobicContact CD1-CB 3.82Å; L70-I110 HydrophobicContact CB-CG2 4.48Å; L70-I110 HydrophobicContact CD1-CB 4.4Å; L70-I110 HydrophobicContact CD1-CG2 4.2Å; L70-I110 HydrophobicContact CD2-CG2 4.06Å; L70-I110 HydrophobicContact CG-CG2 4.49Å; L70-I114 HydrophobicContact CD2-CD1 3.25Å; L70-I114 HydrophobicContact CD2-CG1 3.49Å; L70-I114 VanDerWaalsContact CD2-CG1 3.49Å; L70-I114 HydrophobicContact CG-CD1 4.42Å; L70-T145 HydrophobicContact CB-CG2 4.44Å; L70-T145 HydrophobicContact CD1-CG2 4.04Å; L70-T145 WeakPolarHBondContact CD1-OG1 3.32Å; L70-T145 HydrophobicContact CG-CG2 3.76Å
71	E	92.7	Very high	95.7	Very high	51 Å²	51	29.5 Å²	29.5	24%	0.238	16%	0.164	C	C	.	.	S	Bend	trans	-119.9	156.9	168.9	62.4	157.3	-122.4	0	0	112.4	D69 S73 D98	D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.46Å; E71-S73 VanDerWaalsContact OE1-CB 3.29Å; E71-S73 WeakPolarHBondContact OE1-CB 3.37Å; E71-S73 PolarHBondContact OE1-OG 2.84Å; E71-D98 HydrophobicContact CB-CB 4.04Å; E71-D98 HydrophobicContact CG-CB 4.12Å
72	P	94	Very high	95.9	Very high	45 Å²	45	34.8 Å²	34.8	29%	0.292	20%	0.197	S	C	.	.	S	Bend	trans	-83.2	-20.6	-172.1	32.3	-36.2	0	0	0	114.9	V74 I75 D76 T94	P72-V74 PolarHBondContact O-N 3.05Å; P72-I75 PolarHBondContact O-N 2.75Å; P72-I75 VanDerWaalsContact O-N 3.16Å; P72-D76 WeakPolarHBondContact O-CB 3.35Å; P72-D76 PolarHBondContact O-N 2.59Å; P72-T94 HydrophobicContact CB-CG2 4.19Å
73	S	94.1	Very high	95.9	Very high	63 Å²	63	35.4 Å²	35.4	44%	0.441	20%	0.197	S	C	.	.	H	α-helix	trans	-49.8	-54.3	-163.5	-40.9	0	0	0	0	113.5	E71 D76 E77	E71-S73 VanDerWaalsContact OE1-CB 3.29Å; E71-S73 WeakPolarHBondContact OE1-CB 3.37Å; E71-S73 PolarHBondContact OE1-OG 2.84Å; S73-D76 PolarHBondContact O-N 2.92Å; S73-E77 PolarHBondContact O-N 2.99Å
74	V	94.6	Very high	95.8	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-75.6	-32.7	-172.8	-171.4	0	0	0	0	111.6	Q11 V14 Q15 P72 E77	Q11-V74 HydrophobicContact CB-CG2 3.88Å; Q11-V74 HydrophobicContact CG-CG1 4.41Å; Q11-V74 HydrophobicContact CG-CG2 3.72Å; V14-V74 HydrophobicContact CB-CG1 3.99Å; V14-V74 HydrophobicContact CG1-CB 4.42Å; V14-V74 HydrophobicContact CG1-CG1 3.63Å; Q15-V74 HydrophobicContact CG-CG1 3.68Å; P72-V74 PolarHBondContact O-N 3.05Å; V74-E77 WeakPolarHBondContact O-CB 3.38Å; V74-E77 PolarHBondContact O-N 2.9Å
75	I	96.3	Very high	95.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-75.3	-30.9	176.2	-68.7	179.8	0	0	0	111	V14 F67 D69 P72 E77 V78 R79 L92 I93 T94	V14-I75 HydrophobicContact CG1-CG1 4.18Å; V14-I75 HydrophobicContact CG2-CD1 4.38Å; V14-I75 HydrophobicContact CG2-CG1 4.07Å; F67-I75 HydrophobicContact CB-CD1 4.23Å; F67-I75 HydrophobicContact CB-CG1 4.49Å; D69-I75 HydrophobicContact CB-CD1 3.73Å; D69-I75 HydrophobicContact CB-CG1 4.19Å; P72-I75 PolarHBondContact O-N 2.75Å; P72-I75 VanDerWaalsContact O-N 3.16Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.33Å; I75-V78 WeakPolarHBondContact O-CA 3.06Å; I75-V78 VanDerWaalsContact O-CB 3.27Å; I75-V78 WeakPolarHBondContact O-CB 3.31Å; I75-V78 PolarHBondContact O-N 3.21Å; I75-R79 HydrophobicContact CG2-CG 4.46Å; I75-R79 WeakPolarHBondContact O-CG 3.46Å; I75-R79 PolarHBondContact O-N 3.01Å; I75-L92 HydrophobicContact CG2-CB 3.76Å; I75-I93 WeakPolarHBondContact CD1-O 3.41Å; I75-T94 HydrophobicContact CB-CG2 3.49Å; I75-T94 VanDerWaalsContact CB-CG2 3.49Å; I75-T94 HydrophobicContact CD1-CG2 3.68Å; I75-T94 HydrophobicContact CG1-CG2 4.08Å; I75-T94 HydrophobicContact CG2-CG2 3.55Å
76	D	95.8	Very high	95.5	Very high	64 Å²	64	48.3 Å²	48.3	34%	0.342	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-30.8	174	-76.5	-15.3	0	0	0	112	P72 S73 V78 R79 T80	P72-D76 WeakPolarHBondContact O-CB 3.35Å; P72-D76 PolarHBondContact O-N 2.59Å; S73-D76 PolarHBondContact O-N 2.92Å; D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 3.23Å; D76-R79 PolarHBondContact O-N 2.95Å; D76-R79 WeakPolarHBondContact OD1-CD 3.37Å; D76-R79 IonicContact OD1-CZ 2.79Å; D76-R79 IonicContact OD1-NE 3.91Å; D76-R79 IonicContact OD1-NH1 2.68Å; D76-R79 PolarHBondContact OD1-NH1 3.13Å; D76-T80 WeakPolarHBondContact O-CB 3.08Å; D76-T80 WeakPolarHBondContact O-CG2 3.48Å; D76-T80 PolarHBondContact O-N 2.98Å; D76-T80 PolarHBondContact O-OG1 3.28Å
77	E	95.4	Very high	95.4	Very high	116 Å²	116	48.8 Å²	48.8	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-37.6	168	-64.4	-179.3	179.1	0	0	111.7	S73 V74 I75 T80 G81	S73-E77 PolarHBondContact O-N 2.99Å; V74-E77 WeakPolarHBondContact O-CB 3.38Å; V74-E77 PolarHBondContact O-N 2.9Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.33Å; E77-T80 PolarHBondContact O-N 3.33Å; E77-G81 WeakPolarHBondContact O-CA 3.41Å; E77-G81 PolarHBondContact O-N 2.8Å
78	V	95.6	Very high	95.2	Very high	7 Å²	7	53 Å²	53	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-43.8	174.1	-171.3	0	0	0	0	111.1	V14 N18 I75 D76 T80 F87 L92	V14-V78 HydrophobicContact CG1-CG2 3.92Å; N18-V78 VanDerWaalsContact ND2-CG2 3.28Å; N18-V78 WeakPolarHBondContact ND2-CG2 3.41Å; N18-V78 WeakPolarHBondContact OD1-CG2 3.5Å; I75-V78 WeakPolarHBondContact O-CA 3.06Å; I75-V78 VanDerWaalsContact O-CB 3.27Å; I75-V78 WeakPolarHBondContact O-CB 3.31Å; I75-V78 PolarHBondContact O-N 3.21Å; D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 3.23Å; V78-T80 PolarHBondContact O-N 3.27Å; V78-F87 HydrophobicContact CG1-CD2 3.73Å; V78-F87 HydrophobicContact CG1-CE2 3.81Å; V78-L92 HydrophobicContact CG1-CD1 4.28Å; V78-L92 HydrophobicContact CG1-CD2 4.17Å
79	R	95.6	Very high	95	Very high	91 Å²	91	57.6 Å²	57.6	34%	0.343	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-23.9	179.4	-68	173	179.7	159.5	0.1	113	I75 D76 R84 L92 T94	I75-R79 HydrophobicContact CG2-CG 4.46Å; I75-R79 WeakPolarHBondContact O-CG 3.46Å; I75-R79 PolarHBondContact O-N 3.01Å; D76-R79 PolarHBondContact O-N 2.95Å; D76-R79 WeakPolarHBondContact OD1-CD 3.37Å; D76-R79 IonicContact OD1-CZ 2.79Å; D76-R79 IonicContact OD1-NE 3.91Å; D76-R79 IonicContact OD1-NH1 2.68Å; D76-R79 PolarHBondContact OD1-NH1 3.13Å; R79-R84 WeakPolarHBondContact O-CB 3.45Å; R79-L92 HydrophobicContact CG-CD1 3.62Å; R79-L92 PolarHBondContact NH2-O 3.07Å; R79-T94 PolarHBondContact NH2-OG1 3.14Å; R79-T94 VanDerWaalsContact NH2-OG1 3.1Å
80	T	95.5	Very high	94.8	Very high	101 Å²	101	61.9 Å²	61.9	62%	0.62	32%	0.323	S	S	*	.	H	α-helix	trans	-110.6	-14.2	-177.1	57.6	0	0	0	0	113.9	D76 E77 V78	D76-T80 WeakPolarHBondContact O-CB 3.08Å; D76-T80 WeakPolarHBondContact O-CG2 3.48Å; D76-T80 PolarHBondContact O-N 2.98Å; D76-T80 PolarHBondContact O-OG1 3.28Å; E77-T80 PolarHBondContact O-N 3.33Å; V78-T80 PolarHBondContact O-N 3.27Å
81	G	93.8	Very high	94.8	Very high	31 Å²	31	62.3 Å²	62.3	32%	0.32	33%	0.325	S	S	.	.	S	Bend	trans	-73.9	-173.5	-177.7	0	0	0	0	0	114.9	E77 Y83 R84	E77-G81 WeakPolarHBondContact O-CA 3.41Å; E77-G81 PolarHBondContact O-N 2.8Å; G81-Y83 VanDerWaalsContact C-N 3.28Å; G81-Y83 PolarHBondContact O-N 2.89Å; G81-R84 WeakPolarHBondContact O-CB 3.23Å; G81-R84 WeakPolarHBondContact O-CG 3.27Å; G81-R84 PolarHBondContact O-N 2.81Å
82	T	94.4	Very high	95	Very high	113 Å²	113	60.5 Å²	60.5	69%	0.693	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.4	-176.6	-50.4	0	0	0	0	112.7	P32	P32-T82 HydrophobicContact CB-CG2 4.13Å; P32-T82 WeakPolarHBondContact CB-O 3.37Å; P32-T82 HydrophobicContact CG-CG2 4.07Å
83	Y	94.8	Very high	95.2	Very high	36 Å²	36	59.3 Å²	59.3	14%	0.141	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	20.2	-176.5	-69	-83.6	0	0	0	113.7	E22 C25 P32 G81 Q85 L86	E22-Y83 HydrophobicContact CB-CE2 3.76Å; E22-Y83 HydrophobicContact CG-CE2 3.81Å; C25-Y83 HydrophobicContact CB-CE1 3.93Å; P32-Y83 HydrophobicContact CB-CD1 3.78Å; P32-Y83 HydrophobicContact CB-CE1 3.86Å; P32-Y83 HydrophobicContact CB-CG 4.37Å; P32-Y83 HydrophobicContact CG-CD1 4.34Å; P32-Y83 HydrophobicContact CG-CE1 3.91Å; G81-Y83 VanDerWaalsContact C-N 3.28Å; G81-Y83 PolarHBondContact O-N 2.89Å; Y83-Q85 PolarHBondContact O-N 2.66Å; Y83-L86 HydrophobicContact CD1-CB 4.26Å; Y83-L86 HydrophobicContact CD1-CD2 3.73Å; Y83-L86 HydrophobicContact CD1-CG 4.5Å; Y83-L86 HydrophobicContact CE1-CD2 4.45Å; Y83-L86 HydrophobicContact CG-CD2 4.38Å; Y83-L86 VanDerWaalsContact O-CB 3.27Å; Y83-L86 WeakPolarHBondContact O-CB 3.49Å; Y83-L86 PolarHBondContact O-N 3.42Å
84	R	94.9	Very high	95.3	Very high	153 Å²	153	58.3 Å²	58.3	58%	0.577	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.2	-179.4	65.5	-174.6	-176.5	-170.6	-0.8	115.5	R79 G81	R79-R84 WeakPolarHBondContact O-CB 3.45Å; G81-R84 WeakPolarHBondContact O-CB 3.23Å; G81-R84 WeakPolarHBondContact O-CG 3.27Å; G81-R84 PolarHBondContact O-N 2.81Å
85	Q	94.3	Very high	95.3	Very high	131 Å²	131	58.6 Å²	58.6	61%	0.612	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-8	179.4	-72.1	179.6	-8.9	0	0	113.1	Y83	Y83-Q85 PolarHBondContact O-N 2.66Å
86	L	95.1	Very high	95.1	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-44.8	-176.1	-176.3	69	0	0	0	111.6	C25 I30 P63 Y83	C25-L86 VanDerWaalsContact SG-CD2 3.51Å; I30-L86 HydrophobicContact CG2-CD1 4.32Å; P63-L86 VanDerWaalsContact CD-O 3.23Å; P63-L86 WeakPolarHBondContact CD-O 3.34Å; P63-L86 HydrophobicContact CG-CD1 4.19Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.61Å; Y83-L86 HydrophobicContact CD1-CB 4.26Å; Y83-L86 HydrophobicContact CD1-CD2 3.73Å; Y83-L86 HydrophobicContact CD1-CG 4.5Å; Y83-L86 HydrophobicContact CE1-CD2 4.45Å; Y83-L86 HydrophobicContact CG-CD2 4.38Å; Y83-L86 VanDerWaalsContact O-CB 3.27Å; Y83-L86 WeakPolarHBondContact O-CB 3.49Å; Y83-L86 PolarHBondContact O-N 3.42Å
87	F	95.1	Very high	94.8	Very high	9 Å²	9	70 Å²	70	4%	0.039	35%	0.351	C	S	.	.	S	Bend	trans	-87.9	145.7	-175.4	-56	-74.3	0	0	0	111.8	W21 P63 A65 F67 V78 L92	W21-F87 HydrophobicContact CB-CE1 4.32Å; W21-F87 HydrophobicContact CB-CZ 3.85Å; W21-F87 AromaticContact CD1-CE1 3.9Å; W21-F87 AromaticContact CD1-CZ 3.96Å; W21-F87 HydrophobicContact CD2-CE1 4.31Å; W21-F87 AromaticContact CG-CE1 3.93Å; W21-F87 HydrophobicContact CG-CE1 3.93Å; W21-F87 AromaticContact CG-CZ 3.91Å; W21-F87 HydrophobicContact CG-CZ 3.91Å; P63-F87 HydrophobicContact CB-CD1 3.88Å; P63-F87 HydrophobicContact CB-CE1 3.76Å; P63-F87 HydrophobicContact CG-CD1 3.77Å; P63-F87 HydrophobicContact CG-CE1 3.6Å; P63-F87 HydrophobicContact CG-CZ 4.5Å; A65-F87 HydrophobicContact CB-CD1 4.41Å; A65-F87 HydrophobicContact CB-CE1 4.29Å; F67-F87 HydrophobicContact CD2-CD1 4.47Å; F67-F87 AromaticContact CE2-CD1 3.73Å; F67-F87 HydrophobicContact CE2-CD1 3.73Å; F67-F87 AromaticContact CE2-CE1 3.42Å; F67-F87 HydrophobicContact CE2-CE1 3.42Å; F67-F87 VanDerWaalsContact CE2-CE1 3.42Å; F67-F87 HydrophobicContact CE2-CE2 4.44Å; F67-F87 HydrophobicContact CE2-CG 4.37Å; F67-F87 AromaticContact CE2-CZ 3.81Å; F67-F87 HydrophobicContact CE2-CZ 3.81Å; F67-F87 AromaticContact CZ-CE1 3.85Å; F67-F87 HydrophobicContact CZ-CE1 3.85Å; F67-F87 HydrophobicContact CZ-CE2 4.46Å; F67-F87 AromaticContact CZ-CZ 3.79Å; F67-F87 HydrophobicContact CZ-CZ 3.79Å; V78-F87 HydrophobicContact CG1-CD2 3.73Å; V78-F87 HydrophobicContact CG1-CE2 3.81Å; F87-L92 HydrophobicContact CB-CD1 4.42Å; F87-L92 HydrophobicContact CB-CD2 4.2Å; F87-L92 HydrophobicContact CB-CG 4.37Å; F87-L92 HydrophobicContact CG-CD2 4.44Å
88	H	94.4	Very high	94.6	Very high	88 Å²	88	67.4 Å²	67.4	41%	0.407	34%	0.341	S	S	.	.			trans	-69.9	130.8	170.7	-168.7	-89.5	0	0	0	109.1	V62 E90 Q91	V62-H88 HydrophobicContact CG1-CB 4.25Å; H88-E90 IonicContact CE1-OE2 3.5Å; H88-E90 PolarHBondContact CE1-OE2 2.81Å; H88-E90 WeakPolarHBondContact ND1-CB 3.42Å; H88-E90 PolarHBondContact ND1-N 3.14Å; H88-E90 IonicContact ND1-OE2 2.92Å; H88-E90 PolarHBondContact O-N 3.16Å; H88-Q91 HydrophobicContact CB-CG 3.92Å; H88-Q91 VanDerWaalsContact O-CB 3.25Å; H88-Q91 WeakPolarHBondContact O-CB 3.44Å; H88-Q91 PolarHBondContact O-N 2.96Å
89	P	94	Very high	94.5	Very high	98 Å²	98	67.1 Å²	67.1	64%	0.636	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.9	-174.7	-28.2	35.1	0	0	0	114.2	Q91 L92	P89-Q91 PolarHBondContact O-N 3.31Å; P89-L92 PolarHBondContact O-N 2.88Å
90	E	94.3	Very high	94.4	Very high	94 Å²	94	65.5 Å²	65.5	44%	0.439	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-74	-10.8	177.5	-56.3	-172.6	125.5	0	0	114.2	H88 L92 R121	H88-E90 IonicContact CE1-OE2 3.5Å; H88-E90 PolarHBondContact CE1-OE2 2.81Å; H88-E90 WeakPolarHBondContact ND1-CB 3.42Å; H88-E90 PolarHBondContact ND1-N 3.14Å; H88-E90 IonicContact ND1-OE2 2.92Å; H88-E90 PolarHBondContact O-N 3.16Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-R121 WeakPolarHBondContact O-CG 3.39Å; E90-R121 IonicContact OE1-CZ 3.35Å; E90-R121 IonicContact OE1-NH1 2.76Å; E90-R121 PolarHBondContact OE1-NH1 3.03Å; E90-R121 IonicContact OE1-NH2 3.32Å; E90-R121 PolarHBondContact OE1-NH2 2.9Å; E90-R121 IonicContact OE2-CZ 2.87Å; E90-R121 IonicContact OE2-NH1 3.62Å; E90-R121 PolarHBondContact OE2-NH1 3.27Å; E90-R121 IonicContact OE2-NH2 3.93Å
91	Q	95.8	Very high	94.4	Very high	10 Å²	10	63.6 Å²	63.6	5%	0.047	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-82.3	-12.3	171.1	-67.8	168.8	-27.3	0	0	112.2	P63 A65 F67 H88 P89 L125	P63-Q91 PolarHBondContact O-NE2 2.81Å; A65-Q91 VanDerWaalsContact O-CB 3.28Å; A65-Q91 WeakPolarHBondContact O-CB 3.48Å; A65-Q91 WeakPolarHBondContact O-CG 3.5Å; A65-Q91 PolarHBondContact O-NE2 3.44Å; F67-Q91 PolarHBondContact N-O 2.87Å; H88-Q91 HydrophobicContact CB-CG 3.92Å; H88-Q91 VanDerWaalsContact O-CB 3.25Å; H88-Q91 WeakPolarHBondContact O-CB 3.44Å; H88-Q91 PolarHBondContact O-N 2.96Å; P89-Q91 PolarHBondContact O-N 3.31Å; Q91-L125 HydrophobicContact CG-CD1 4.42Å
92	L	97.7	Very high	94.5	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.063	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	87.6	-178.2	-58	-176.7	0	0	0	109.7	F67 I75 V78 R79 F87 P89 E90	F67-L92 HydrophobicContact CB-CD2 3.78Å; F67-L92 HydrophobicContact CD2-CD2 3.66Å; F67-L92 HydrophobicContact CE2-CD2 4.49Å; F67-L92 HydrophobicContact CG-CD2 3.9Å; I75-L92 HydrophobicContact CG2-CB 3.76Å; V78-L92 HydrophobicContact CG1-CD1 4.28Å; V78-L92 HydrophobicContact CG1-CD2 4.17Å; R79-L92 HydrophobicContact CG-CD1 3.62Å; R79-L92 PolarHBondContact NH2-O 3.07Å; F87-L92 HydrophobicContact CB-CD1 4.42Å; F87-L92 HydrophobicContact CB-CD2 4.2Å; F87-L92 HydrophobicContact CB-CG 4.37Å; F87-L92 HydrophobicContact CG-CD2 4.44Å; P89-L92 PolarHBondContact O-N 2.88Å; E90-L92 VanDerWaalsContact C-N 3.32Å
93	I	97.8	Very high	94.7	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.108	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122	-168.9	-53.3	171.9	0	0	0	109.9	V66 F67 V68 D69 I75 V118 R121	V66-I93 HydrophobicContact CG1-CD1 3.87Å; F67-I93 PolarHBondContact O-N 3.18Å; V68-I93 WeakPolarHBondContact CA-O 3.42Å; V68-I93 HydrophobicContact CG2-CB 4.46Å; V68-I93 HydrophobicContact CG2-CD1 4.47Å; D69-I93 PolarHBondContact N-O 3.32Å; D69-I93 VanDerWaalsContact N-O 3.09Å; I75-I93 WeakPolarHBondContact CD1-O 3.41Å; I93-V118 HydrophobicContact CB-CG2 4.45Å; I93-V118 HydrophobicContact CD1-CB 4.28Å; I93-V118 HydrophobicContact CD1-CG2 3.79Å; I93-V118 HydrophobicContact CG2-CG2 3.99Å; I93-R121 HydrophobicContact CD1-CB 3.94Å; I93-R121 HydrophobicContact CD1-CG 3.7Å; I93-R121 HydrophobicContact CG1-CG 4.47Å
94	T	96.9	Very high	94.8	Very high	42 Å²	42	55.5 Å²	55.5	26%	0.258	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134	-177.1	50.3	0	0	0	0	111	D69 P72 I75 R79	D69-T94 CarbonylContact O-C 3.01Å; D69-T94 VanDerWaalsContact O-CA 3.31Å; D69-T94 WeakPolarHBondContact O-CA 3.38Å; P72-T94 HydrophobicContact CB-CG2 4.19Å; I75-T94 HydrophobicContact CB-CG2 3.49Å; I75-T94 VanDerWaalsContact CB-CG2 3.49Å; I75-T94 HydrophobicContact CD1-CG2 3.68Å; I75-T94 HydrophobicContact CG1-CG2 4.08Å; I75-T94 HydrophobicContact CG2-CG2 3.55Å; R79-T94 PolarHBondContact NH2-OG1 3.14Å; R79-T94 VanDerWaalsContact NH2-OG1 3.1Å
95	G	94.1	Very high	95	Very high	11 Å²	11	50.4 Å²	50.4	11%	0.113	26%	0.259	C	S	.	.			trans	-78.5	-167.1	164.1	0	0	0	0	0	112.5	D69 L70	D69-G95 PolarHBondContact O-N 2.97Å; L70-G95 CarbonylContact O-C 3.46Å; L70-G95 WeakPolarHBondContact O-CA 3.34Å
96	K	90.9	Very high	95.1	Very high	202 Å²	202	44.1 Å²	44.1	88%	0.878	23%	0.23	S	C	*	.	S	Bend	trans	-117.6	-18.9	176.9	-65.7	-175.9	179.2	-179.4	0	113.5	L70	L70-K96 PolarHBondContact O-N 3.1Å; L70-K96 VanDerWaalsContact O-N 3.12Å
97	E	91.1	Very high	95.2	Very high	102 Å²	102	44.4 Å²	44.4	48%	0.477	23%	0.232	S	C	.	.	S	Bend	trans	-135	129.5	-172.5	-71.3	176.2	-167.5	0	0	106.5	L70 R105 I110	L70-E97 CarbonylContact C-O 3.5Å; L70-E97 WeakPolarHBondContact CB-O 3.13Å; L70-E97 CarbonylContact O-C 3.33Å; L70-E97 PolarHBondContact O-N 3.19Å; E97-R105 IonicContact OE2-NH2 2.75Å; E97-I110 WeakPolarHBondContact O-CG2 3.46Å; E97-I110 WeakPolarHBondContact OE2-CD1 3.42Å
98	D	91	Very high	95.3	Very high	62 Å²	62	46.6 Å²	46.6	33%	0.332	24%	0.24	S	C	.	.			trans	-76.7	171.1	179.1	76.3	-27.9	0	0	0	112.1	E71 A100 R105	E71-D98 HydrophobicContact CB-CB 4.04Å; E71-D98 HydrophobicContact CG-CB 4.12Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 VanDerWaalsContact CG-N 3.3Å; D98-A100 VanDerWaalsContact OD2-CA 3.26Å; D98-A100 WeakPolarHBondContact OD2-CA 3.42Å; D98-A100 PolarHBondContact OD2-N 3.48Å; D98-A100 VanDerWaalsContact OD2-N 3.08Å; D98-R105 PolarHBondContact O-NE 3.31Å; D98-R105 PolarHBondContact O-NH2 3.17Å
99	A	93.1	Very high	95.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	23%	0.232	C	C	.	.			trans	-81.9	-4	171.1	0	0	0	0	0	113.2	L70 N101 N102 R105 G144	L70-A99 HydrophobicContact CD1-CB 3.82Å; A99-N101 VanDerWaalsContact C-N 3.26Å; A99-N101 PolarHBondContact O-N 3.41Å; A99-N101 VanDerWaalsContact O-N 3.15Å; A99-N102 VanDerWaalsContact O-CB 3.29Å; A99-N102 WeakPolarHBondContact O-CB 3.45Å; A99-N102 PolarHBondContact O-N 2.72Å; A99-R105 HydrophobicContact CB-CB 4.02Å; A99-R105 WeakPolarHBondContact O-CD 3.42Å; A99-G144 VanDerWaalsContact CB-C 3.43Å
100	A	93.6	Very high	95.4	Very high	57 Å²	57	40.2 Å²	40.2	47%	0.471	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	43.1	176.7	0	0	0	0	0	114.1	D98 N102	D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 VanDerWaalsContact CG-N 3.3Å; D98-A100 VanDerWaalsContact OD2-CA 3.26Å; D98-A100 WeakPolarHBondContact OD2-CA 3.42Å; D98-A100 PolarHBondContact OD2-N 3.48Å; D98-A100 VanDerWaalsContact OD2-N 3.08Å; A100-N102 PolarHBondContact O-N 2.79Å
101	N	95.1	Very high	95.4	Very high	61 Å²	61	35.8 Å²	35.8	33%	0.326	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	27.2	-174.8	-59.2	-51	0	0	0	115.1	A99 A180 V182 N186	A99-N101 VanDerWaalsContact C-N 3.26Å; A99-N101 PolarHBondContact O-N 3.41Å; A99-N101 VanDerWaalsContact O-N 3.15Å; N101-A180 HydrophobicContact CB-CB 3.76Å; N101-V182 HydrophobicContact CB-CG2 4.29Å; N101-V182 WeakPolarHBondContact O-CG2 3.37Å; N101-N186 PolarHBondContact O-ND2 2.98Å
102	N	96.8	Very high	95.4	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	21%	0.205	C	C	.	.			trans	-116.5	113.8	179.3	-176	-21.4	0	0	0	110.6	A99 A100 A104 R105 G106 W407 Y408	A99-N102 VanDerWaalsContact O-CB 3.29Å; A99-N102 WeakPolarHBondContact O-CB 3.45Å; A99-N102 PolarHBondContact O-N 2.72Å; A100-N102 PolarHBondContact O-N 2.79Å; N102-A104 VanDerWaalsContact C-N 3.26Å; N102-A104 PolarHBondContact O-N 3.36Å; N102-A104 WeakPolarHBondContact OD1-CB 3.36Å; N102-A104 PolarHBondContact OD1-N 2.95Å; N102-R105 HydrophobicContact CB-CB 4.32Å; N102-R105 HydrophobicContact CB-CG 4.09Å; N102-R105 PolarHBondContact O-N 2.88Å; N102-R105 VanDerWaalsContact O-N 3.16Å; N102-G106 PolarHBondContact O-N 2.82Å; N102-W407 PolarHBondContact ND2-O 3.39Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.36Å
103	Y	98.1	Very high	95.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-49.5	-46.1	174.9	174.7	-91.5	0	0	0	112.3	R105 G106 H107 Y108 G148 S151 N186 L189 T193 M413	Y103-R105 VanDerWaalsContact C-N 3.27Å; Y103-R105 PolarHBondContact O-N 2.63Å; Y103-G106 CarbonylContact O-C 3.57Å; Y103-G106 WeakPolarHBondContact O-CA 3.45Å; Y103-G106 PolarHBondContact O-N 2.95Å; Y103-H107 HydrophobicContact CD1-CB 4.29Å; Y103-H107 HydrophobicContact CE1-CB 3.84Å; Y103-H107 AromaticContact CZ-CG 3.94Å; Y103-H107 AromaticContact CZ-ND1 3.87Å; Y103-H107 WeakPolarHBondContact O-CB 3.46Å; Y103-H107 PolarHBondContact O-N 3.13Å; Y103-H107 PolarHBondContact OH-ND1 2.85Å; Y103-Y108 HydrophobicContact CE1-CE2 4.43Å; Y103-G148 VanDerWaalsContact CE2-CA 3.5Å; Y103-G148 WeakPolarHBondContact O-CA 3.42Å; Y103-S151 WeakPolarHBondContact OH-CB 3.45Å; Y103-N186 VanDerWaalsContact CB-OD1 3.26Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.28Å; Y103-N186 PolarHBondContact N-OD1 3.26Å; Y103-L189 HydrophobicContact CD1-CB 3.94Å; Y103-L189 HydrophobicContact CD1-CD1 3.77Å; Y103-L189 HydrophobicContact CD1-CG 4.43Å; Y103-L189 HydrophobicContact CD2-CB 3.85Å; Y103-L189 HydrophobicContact CE1-CB 4.05Å; Y103-L189 HydrophobicContact CE1-CD1 4.48Å; Y103-L189 HydrophobicContact CE2-CB 3.96Å; Y103-L189 HydrophobicContact CG-CB 3.86Å; Y103-L189 HydrophobicContact CG-CD1 3.91Å; Y103-T193 VanDerWaalsContact OH-CG2 3.31Å; Y103-T193 WeakPolarHBondContact OH-CG2 3.46Å; Y103-T193 PolarHBondContact OH-OG1 2.95Å; Y103-T193 VanDerWaalsContact OH-OG1 3.14Å; Y103-M413 HydrophobicContact CD1-SD 4.26Å
104	A	97.8	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-33	-175.8	0	0	0	0	0	112.2	N102 H107 Y108 T109 Y408 E411 M413	N102-A104 VanDerWaalsContact C-N 3.26Å; N102-A104 PolarHBondContact O-N 3.36Å; N102-A104 WeakPolarHBondContact OD1-CB 3.36Å; N102-A104 PolarHBondContact OD1-N 2.95Å; A104-H107 PolarHBondContact O-N 2.99Å; A104-Y108 HydrophobicContact CB-CD2 4.16Å; A104-Y108 WeakPolarHBondContact O-CA 3.36Å; A104-Y108 WeakPolarHBondContact O-CB 3.39Å; A104-Y108 PolarHBondContact O-N 3.44Å; A104-T109 PolarHBondContact O-N 3.03Å; A104-Y408 HydrophobicContact CB-CD1 4.22Å; A104-E411 HydrophobicContact CB-CB 3.76Å; A104-M413 HydrophobicContact CB-CB 3.77Å; A104-M413 HydrophobicContact CB-SD 4.22Å
105	R	97.5	Very high	95.2	Very high	45 Å²	45	45 Å²	45	17%	0.17	22%	0.22	C	C	.	.	I	π-helix	trans	-65.3	-44.8	172	-71.5	-177.2	62.8	88	-2.5	112	E97 D98 A99 N102 Y103 H107 T109 I110 G111 E411	E97-R105 IonicContact OE2-NH2 2.75Å; D98-R105 PolarHBondContact O-NE 3.31Å; D98-R105 PolarHBondContact O-NH2 3.17Å; A99-R105 HydrophobicContact CB-CB 4.02Å; A99-R105 WeakPolarHBondContact O-CD 3.42Å; N102-R105 HydrophobicContact CB-CB 4.32Å; N102-R105 HydrophobicContact CB-CG 4.09Å; N102-R105 PolarHBondContact O-N 2.88Å; N102-R105 VanDerWaalsContact O-N 3.16Å; Y103-R105 VanDerWaalsContact C-N 3.27Å; Y103-R105 PolarHBondContact O-N 2.63Å; R105-H107 VanDerWaalsContact C-N 3.31Å; R105-H107 PolarHBondContact O-N 3.44Å; R105-T109 WeakPolarHBondContact CA-OG1 3.38Å; R105-I110 HydrophobicContact CB-CG1 4.24Å; R105-I110 WeakPolarHBondContact O-CA 3.36Å; R105-I110 WeakPolarHBondContact O-CB 3.31Å; R105-I110 PolarHBondContact O-N 2.97Å; R105-G111 PolarHBondContact O-N 2.97Å; R105-E411 WeakPolarHBondContact CD-OE1 3.32Å; R105-E411 HydrophobicContact CG-CB 4.23Å; R105-E411 HydrophobicContact CG-CG 3.53Å; R105-E411 WeakPolarHBondContact CG-OE1 3.44Å; R105-E411 IonicContact CZ-OE1 2.71Å; R105-E411 IonicContact NH1-OE1 3.7Å; R105-E411 PolarHBondContact NH1-OE1 2.87Å; R105-E411 IonicContact NH1-OE2 2.78Å
106	G	97.1	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-65.2	-34.2	178.2	0	0	0	0	0	113	N102 Y103 G111 G148 F149	N102-G106 PolarHBondContact O-N 2.82Å; Y103-G106 CarbonylContact O-C 3.57Å; Y103-G106 WeakPolarHBondContact O-CA 3.45Å; Y103-G106 PolarHBondContact O-N 2.95Å; G106-G111 VanDerWaalsContact O-CA 3.23Å; G106-G111 WeakPolarHBondContact O-CA 2.95Å; G106-G148 VanDerWaalsContact C-C 3.46Å; G106-G148 CarbonylContact O-C 3.56Å; G106-F149 WeakPolarHBondContact O-CA 3.5Å; G106-F149 PolarHBondContact O-N 3.3Å
107	H	97.9	Very high	95.5	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.037	22%	0.219	C	C	.	.	I	π-helix	trans	-95.6	-48.1	-174.1	-167.2	90	0	0	0	113.3	Y103 A104 R105 G148 L152 E155	Y103-H107 HydrophobicContact CD1-CB 4.29Å; Y103-H107 HydrophobicContact CE1-CB 3.84Å; Y103-H107 AromaticContact CZ-CG 3.94Å; Y103-H107 AromaticContact CZ-ND1 3.87Å; Y103-H107 WeakPolarHBondContact O-CB 3.46Å; Y103-H107 PolarHBondContact O-N 3.13Å; Y103-H107 PolarHBondContact OH-ND1 2.85Å; A104-H107 PolarHBondContact O-N 2.99Å; R105-H107 VanDerWaalsContact C-N 3.31Å; R105-H107 PolarHBondContact O-N 3.44Å; H107-G148 WeakPolarHBondContact CA-O 3.36Å; H107-G148 WeakPolarHBondContact CB-O 3.29Å; H107-G148 PolarHBondContact ND1-O 3.33Å; H107-L152 PolarHBondContact ND1-N 3.38Å; H107-E155 IonicContact CE1-OE1 3.65Å; H107-E155 PolarHBondContact CE1-OE1 3.24Å; H107-E155 VanDerWaalsContact CE1-OE1 3.24Å; H107-E155 IonicContact CE1-OE2 2.64Å; H107-E155 IonicContact NE2-OE1 3.64Å
108	Y	95.9	Very high	95.9	Very high	54 Å²	54	38.6 Å²	38.6	21%	0.212	20%	0.196	C	C	.	.	I	π-helix	trans	-100.4	-39.4	-167.7	-67.4	-69.5	0	0	0	114.9	Y103 A104 K112 E411 M413 E417	Y103-Y108 HydrophobicContact CE1-CE2 4.43Å; A104-Y108 HydrophobicContact CB-CD2 4.16Å; A104-Y108 WeakPolarHBondContact O-CA 3.36Å; A104-Y108 WeakPolarHBondContact O-CB 3.39Å; A104-Y108 PolarHBondContact O-N 3.44Å; Y108-K112 WeakPolarHBondContact O-CD 3.44Å; Y108-K112 WeakPolarHBondContact O-CE 3.37Å; Y108-K112 WeakPolarHBondContact O-CG 3.4Å; Y108-E411 WeakPolarHBondContact CB-O 3.29Å; Y108-M413 HydrophobicContact CD2-CB 3.93Å; Y108-M413 HydrophobicContact CD2-CG 4.44Å; Y108-M413 HydrophobicContact CE2-CB 3.81Å; Y108-M413 HydrophobicContact CE2-CG 3.85Å; Y108-E417 PolarHBondContact OH-OE1 3.1Å; Y108-E417 PolarHBondContact OH-OE2 2.81Å
109	T	95.2	Very high	96.2	Very high	41 Å²	41	36 Å²	36	25%	0.252	18%	0.182	S	C	.	.	I	π-helix	trans	-107.4	-67.1	-170.4	58.9	0	0	0	0	113.6	A104 R105 E411	A104-T109 PolarHBondContact O-N 3.03Å; R105-T109 WeakPolarHBondContact CA-OG1 3.38Å; T109-E411 WeakPolarHBondContact CB-OE2 3.37Å; T109-E411 HydrophobicContact CG2-CB 4.2Å; T109-E411 WeakPolarHBondContact CG2-O 3.48Å; T109-E411 VanDerWaalsContact CG2-OE2 3.27Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.35Å; T109-E411 PolarHBondContact OG1-OE2 3.44Å
110	I	95.8	Very high	96.4	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.062	20%	0.195	C	C	.	.	S	Bend	trans	-77.3	-43	-174.6	-51.2	-55.4	0	0	0	110.5	L70 E97 R105 K112 K113	L70-I110 HydrophobicContact CB-CG2 4.48Å; L70-I110 HydrophobicContact CD1-CB 4.4Å; L70-I110 HydrophobicContact CD1-CG2 4.2Å; L70-I110 HydrophobicContact CD2-CG2 4.06Å; L70-I110 HydrophobicContact CG-CG2 4.49Å; E97-I110 WeakPolarHBondContact O-CG2 3.46Å; E97-I110 WeakPolarHBondContact OE2-CD1 3.42Å; R105-I110 HydrophobicContact CB-CG1 4.24Å; R105-I110 WeakPolarHBondContact O-CA 3.36Å; R105-I110 WeakPolarHBondContact O-CB 3.31Å; R105-I110 PolarHBondContact O-N 2.97Å; I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 2.82Å; I110-K113 WeakPolarHBondContact O-CB 3.34Å; I110-K113 PolarHBondContact O-N 3.31Å
111	G	95.1	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-39.4	179.7	0	0	0	0	0	114.1	R105 G106 K113 I114 I115	R105-G111 PolarHBondContact O-N 2.97Å; G106-G111 VanDerWaalsContact O-CA 3.23Å; G106-G111 WeakPolarHBondContact O-CA 2.95Å; G111-K113 PolarHBondContact O-N 2.79Å; G111-K113 VanDerWaalsContact O-N 3.13Å; G111-I114 WeakPolarHBondContact O-CG1 3.49Å; G111-I114 PolarHBondContact O-N 2.91Å; G111-I115 PolarHBondContact O-N 3.27Å
112	K	94.7	Very high	96.7	Very high	111 Å²	111	35.4 Å²	35.4	48%	0.483	17%	0.167	S	C	.	.	H	α-helix	trans	-59.9	-24.1	175.9	-69.5	-167	-173.4	160.2	0	113.6	Y108 I110 I114 L152	Y108-K112 WeakPolarHBondContact O-CD 3.44Å; Y108-K112 WeakPolarHBondContact O-CE 3.37Å; Y108-K112 WeakPolarHBondContact O-CG 3.4Å; I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 2.82Å; K112-I114 VanDerWaalsContact C-N 3.32Å; K112-L152 HydrophobicContact CG-CD2 4.27Å
113	K	94.7	Very high	96.7	Very high	142 Å²	142	40.2 Å²	40.2	62%	0.617	18%	0.184	S	C	*	.	H	α-helix	trans	-73.8	-24.7	177.2	-60.2	175.7	-175.6	171.2	0	112.5	I110 G111	I110-K113 WeakPolarHBondContact O-CB 3.34Å; I110-K113 PolarHBondContact O-N 3.31Å; G111-K113 PolarHBondContact O-N 2.79Å; G111-K113 VanDerWaalsContact O-N 3.13Å
114	I	95.6	Very high	96.6	Very high	20 Å²	20	44.1 Å²	44.1	10%	0.103	20%	0.201	C	C	.	.	H	α-helix	trans	-115.3	-10.8	-174.1	67.4	141.2	0	0	0	114.3	V68 L70 G111 K112 E116 P117 V118 F149	V68-I114 HydrophobicContact CG1-CD1 3.58Å; L70-I114 HydrophobicContact CD2-CD1 3.25Å; L70-I114 HydrophobicContact CD2-CG1 3.49Å; L70-I114 VanDerWaalsContact CD2-CG1 3.49Å; L70-I114 HydrophobicContact CG-CD1 4.42Å; G111-I114 WeakPolarHBondContact O-CG1 3.49Å; G111-I114 PolarHBondContact O-N 2.91Å; K112-I114 VanDerWaalsContact C-N 3.32Å; I114-E116 VanDerWaalsContact C-N 3.35Å; I114-E116 PolarHBondContact O-N 2.96Å; I114-P117 VanDerWaalsContact O-CD 3.24Å; I114-P117 WeakPolarHBondContact O-CD 3.38Å; I114-V118 HydrophobicContact CD1-CG2 4.33Å; I114-V118 VanDerWaalsContact O-CG2 3.31Å; I114-V118 WeakPolarHBondContact O-CG2 3.33Å; I114-V118 PolarHBondContact O-N 3.38Å; I114-F149 HydrophobicContact CD1-CD2 4.12Å; I114-F149 HydrophobicContact CD1-CE1 4.32Å; I114-F149 HydrophobicContact CD1-CE2 3.63Å; I114-F149 HydrophobicContact CD1-CZ 3.75Å; I114-F149 HydrophobicContact CG1-CD2 4.19Å; I114-F149 HydrophobicContact CG1-CE2 3.6Å; I114-F149 HydrophobicContact CG1-CZ 4.12Å
115	I	97.2	Very high	96.5	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-42.8	-177.7	-171.9	59.8	0	0	0	112.7	G111 V118 L119 F149 L152 L153 R156	G111-I115 PolarHBondContact O-N 3.27Å; I115-V118 WeakPolarHBondContact O-CB 3.48Å; I115-V118 PolarHBondContact O-N 2.99Å; I115-V118 VanDerWaalsContact O-N 3.16Å; I115-L119 HydrophobicContact CD1-CD1 4.32Å; I115-L119 HydrophobicContact CD1-CG 4.16Å; I115-L119 HydrophobicContact CG1-CD1 3.93Å; I115-L119 HydrophobicContact CG1-CG 4.23Å; I115-L119 WeakPolarHBondContact O-CG 3.35Å; I115-L119 PolarHBondContact O-N 2.84Å; I115-F149 HydrophobicContact CB-CE2 4.11Å; I115-F149 HydrophobicContact CD1-CE2 3.96Å; I115-F149 HydrophobicContact CD1-CZ 3.87Å; I115-L152 HydrophobicContact CB-CD2 3.97Å; I115-L152 HydrophobicContact CD1-CD2 4.35Å; I115-L152 HydrophobicContact CD1-CG 4.21Å; I115-L152 HydrophobicContact CG1-CD2 4.09Å; I115-L152 HydrophobicContact CG1-CG 4.17Å; I115-L152 HydrophobicContact CG2-CD2 4.36Å; I115-L153 HydrophobicContact CD1-CB 4.31Å; I115-L153 HydrophobicContact CD1-CD1 3.88Å; I115-R156 HydrophobicContact CD1-CG 4.36Å; I115-R156 HydrophobicContact CG1-CG 4.14Å
116	E	96.7	Very high	96.5	Very high	115 Å²	115	43 Å²	43	54%	0.537	20%	0.2	S	C	.	.	H	α-helix	trans	-62.2	-50.6	-179.7	-69.3	-63	157.9	0	0	112.7	I114 V118 L119 D120	I114-E116 VanDerWaalsContact C-N 3.35Å; I114-E116 PolarHBondContact O-N 2.96Å; E116-V118 VanDerWaalsContact C-N 3.26Å; E116-V118 PolarHBondContact O-N 3.33Å; E116-L119 PolarHBondContact O-N 2.79Å; E116-D120 PolarHBondContact O-N 3.38Å
117	P	96.3	Very high	96.3	Very high	64 Å²	64	49 Å²	49	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-52.4	-42	169.9	-28	30.3	0	0	0	113.8	I114 D120 R121	I114-P117 VanDerWaalsContact O-CD 3.24Å; I114-P117 WeakPolarHBondContact O-CD 3.38Å; P117-D120 PolarHBondContact O-N 3.36Å; P117-R121 WeakPolarHBondContact O-CG 3.13Å; P117-R121 PolarHBondContact O-N 3.23Å; P117-R121 VanDerWaalsContact O-N 3.16Å
118	V	97.9	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-47.2	-179.3	172.3	0	0	0	0	111.1	V68 I93 I114 I115 E116 D120 R121 I122 F149 L153	V68-V118 HydrophobicContact CB-CG2 4.38Å; V68-V118 HydrophobicContact CG1-CG2 3.65Å; V68-V118 HydrophobicContact CG2-CB 4.48Å; V68-V118 HydrophobicContact CG2-CG1 3.86Å; V68-V118 HydrophobicContact CG2-CG2 3.75Å; I93-V118 HydrophobicContact CB-CG2 4.45Å; I93-V118 HydrophobicContact CD1-CB 4.28Å; I93-V118 HydrophobicContact CD1-CG2 3.79Å; I93-V118 HydrophobicContact CG2-CG2 3.99Å; I114-V118 HydrophobicContact CD1-CG2 4.33Å; I114-V118 VanDerWaalsContact O-CG2 3.31Å; I114-V118 WeakPolarHBondContact O-CG2 3.33Å; I114-V118 PolarHBondContact O-N 3.38Å; I115-V118 WeakPolarHBondContact O-CB 3.48Å; I115-V118 PolarHBondContact O-N 2.99Å; I115-V118 VanDerWaalsContact O-N 3.16Å; E116-V118 VanDerWaalsContact C-N 3.26Å; E116-V118 PolarHBondContact O-N 3.33Å; V118-D120 VanDerWaalsContact C-N 3.35Å; V118-D120 PolarHBondContact O-N 3.31Å; V118-R121 PolarHBondContact O-N 3.41Å; V118-R121 VanDerWaalsContact O-N 3.16Å; V118-I122 HydrophobicContact CG1-CD1 3.77Å; V118-I122 HydrophobicContact CG1-CG1 4.48Å; V118-I122 WeakPolarHBondContact O-CG1 3.27Å; V118-I122 PolarHBondContact O-N 2.9Å; V118-F149 HydrophobicContact CB-CZ 4.15Å; V118-F149 HydrophobicContact CG1-CE1 4.37Å; V118-F149 HydrophobicContact CG1-CZ 4.23Å; V118-F149 HydrophobicContact CG2-CE1 4.36Å; V118-F149 HydrophobicContact CG2-CZ 3.85Å; V118-L153 HydrophobicContact CG1-CD1 4.14Å
119	L	97.9	Very high	95.9	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-37.7	177.8	-68.6	174	0	0	0	112.4	I115 E116 R121 I122 R123 L153 R156	I115-L119 HydrophobicContact CD1-CD1 4.32Å; I115-L119 HydrophobicContact CD1-CG 4.16Å; I115-L119 HydrophobicContact CG1-CD1 3.93Å; I115-L119 HydrophobicContact CG1-CG 4.23Å; I115-L119 WeakPolarHBondContact O-CG 3.35Å; I115-L119 PolarHBondContact O-N 2.84Å; E116-L119 PolarHBondContact O-N 2.79Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 2.83Å; L119-I122 PolarHBondContact O-N 3.34Å; L119-R123 VanDerWaalsContact O-CB 3.25Å; L119-R123 WeakPolarHBondContact O-CB 3.33Å; L119-R123 PolarHBondContact O-N 3.42Å; L119-L153 HydrophobicContact CD2-CD1 3.93Å; L119-R156 HydrophobicContact CD1-CB 3.83Å; L119-R156 HydrophobicContact CD1-CG 4.05Å; L119-R156 HydrophobicContact CD2-CB 3.88Å; L119-R156 HydrophobicContact CG-CB 4.44Å
120	D	97.4	Very high	95.7	Very high	53 Å²	53	55.5 Å²	55.5	28%	0.283	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-40.8	173.4	-178.4	66	0	0	0	111.8	E116 P117 V118 R123 K124	E116-D120 PolarHBondContact O-N 3.38Å; P117-D120 PolarHBondContact O-N 3.36Å; V118-D120 VanDerWaalsContact C-N 3.35Å; V118-D120 PolarHBondContact O-N 3.31Å; D120-R123 PolarHBondContact O-N 3.47Å; D120-K124 WeakPolarHBondContact O-CG 3.47Å; D120-K124 PolarHBondContact O-N 2.94Å; D120-K124 IonicContact OD1-NZ 3.37Å; D120-K124 WeakPolarHBondContact OD2-CE 3.29Å; D120-K124 IonicContact OD2-NZ 3.39Å; D120-K124 PolarHBondContact OD2-NZ 3.16Å
121	R	96.8	Very high	95.4	Very high	53 Å²	53	56.3 Å²	56.3	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-71.3	-41	177.4	-62.2	-48.8	176.2	170.8	4.1	113.1	E90 I93 P117 V118 L119 R123 K124 L125	E90-R121 WeakPolarHBondContact O-CG 3.39Å; E90-R121 IonicContact OE1-CZ 3.35Å; E90-R121 IonicContact OE1-NH1 2.76Å; E90-R121 PolarHBondContact OE1-NH1 3.03Å; E90-R121 IonicContact OE1-NH2 3.32Å; E90-R121 PolarHBondContact OE1-NH2 2.9Å; E90-R121 IonicContact OE2-CZ 2.87Å; E90-R121 IonicContact OE2-NH1 3.62Å; E90-R121 PolarHBondContact OE2-NH1 3.27Å; E90-R121 IonicContact OE2-NH2 3.93Å; I93-R121 HydrophobicContact CD1-CB 3.94Å; I93-R121 HydrophobicContact CD1-CG 3.7Å; I93-R121 HydrophobicContact CG1-CG 4.47Å; P117-R121 WeakPolarHBondContact O-CG 3.13Å; P117-R121 PolarHBondContact O-N 3.23Å; P117-R121 VanDerWaalsContact O-N 3.16Å; V118-R121 PolarHBondContact O-N 3.41Å; V118-R121 VanDerWaalsContact O-N 3.16Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 2.83Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 3.14Å; R121-K124 PolarHBondContact O-N 2.81Å; R121-L125 PolarHBondContact O-N 2.97Å; R121-L125 VanDerWaalsContact O-N 3.16Å
122	I	97.9	Very high	95.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-45	173.7	-67.8	166.3	0	0	0	109.9	I7 V66 V118 L119 K124 L125 S126 F135 L153 L157 Y161	I7-I122 HydrophobicContact CD1-CD1 3.64Å; I7-I122 HydrophobicContact CD1-CG1 4.21Å; I7-I122 HydrophobicContact CG1-CD1 4.41Å; V66-I122 HydrophobicContact CG2-CG1 4.06Å; V118-I122 HydrophobicContact CG1-CD1 3.77Å; V118-I122 HydrophobicContact CG1-CG1 4.48Å; V118-I122 WeakPolarHBondContact O-CG1 3.27Å; V118-I122 PolarHBondContact O-N 2.9Å; L119-I122 PolarHBondContact O-N 3.34Å; I122-K124 PolarHBondContact O-N 2.74Å; I122-L125 PolarHBondContact O-N 3.3Å; I122-L125 VanDerWaalsContact O-N 3.14Å; I122-S126 PolarHBondContact O-N 3.41Å; I122-S126 PolarHBondContact O-OG 2.78Å; I122-S126 VanDerWaalsContact O-OG 3.06Å; I122-F135 HydrophobicContact CG2-CD1 4.41Å; I122-F135 HydrophobicContact CG2-CE1 3.57Å; I122-F135 HydrophobicContact CG2-CZ 4.16Å; I122-L153 HydrophobicContact CD1-CD1 3.88Å; I122-L157 HydrophobicContact CD1-CD2 4.27Å; I122-L157 HydrophobicContact CG2-CD2 4.12Å; I122-Y161 HydrophobicContact CG2-CE2 4.38Å
123	R	97.4	Very high	95.2	Very high	110 Å²	110	53 Å²	53	42%	0.415	27%	0.268	S	S	.	.	H	α-helix	trans	-58.5	-46.4	177.1	-168.2	-170.8	-30.9	-176.2	7.9	112.8	L119 D120 R121 L125 S126 D127 Y161	L119-R123 VanDerWaalsContact O-CB 3.25Å; L119-R123 WeakPolarHBondContact O-CB 3.33Å; L119-R123 PolarHBondContact O-N 3.42Å; D120-R123 PolarHBondContact O-N 3.47Å; R121-R123 VanDerWaalsContact C-N 3.3Å; R121-R123 PolarHBondContact O-N 3.14Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 2.88Å; R123-S126 WeakPolarHBondContact O-CB 3.25Å; R123-S126 PolarHBondContact O-N 3.15Å; R123-S126 VanDerWaalsContact O-N 3.11Å; R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 3.29Å; R123-Y161 WeakPolarHBondContact CA-OH 3.34Å
124	K	96.4	Very high	95.3	Very high	82 Å²	82	46.2 Å²	46.2	36%	0.357	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-37.4	175.5	-77	168.4	175.9	158.7	0	112.9	D120 R121 I122 Q128	D120-K124 WeakPolarHBondContact O-CG 3.47Å; D120-K124 PolarHBondContact O-N 2.94Å; D120-K124 IonicContact OD1-NZ 3.37Å; D120-K124 WeakPolarHBondContact OD2-CE 3.29Å; D120-K124 IonicContact OD2-NZ 3.39Å; D120-K124 PolarHBondContact OD2-NZ 3.16Å; R121-K124 PolarHBondContact O-N 2.81Å; I122-K124 PolarHBondContact O-N 2.74Å; K124-Q128 VanDerWaalsContact O-CG 3.31Å; K124-Q128 WeakPolarHBondContact O-CG 3.31Å; K124-Q128 PolarHBondContact O-N 2.99Å
125	L	95.9	Very high	95.3	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-72.7	-38.9	174.8	-66.7	177	0	0	0	112.1	I5 V66 Q91 R121 I122 R123 D127 Q128 C129	I5-L125 HydrophobicContact CD1-CB 3.79Å; I5-L125 HydrophobicContact CG1-CB 4.36Å; I5-L125 HydrophobicContact CG2-CD1 4.34Å; V66-L125 HydrophobicContact CG2-CD1 3.5Å; V66-L125 VanDerWaalsContact CG2-CD1 3.5Å; Q91-L125 HydrophobicContact CG-CD1 4.42Å; R121-L125 PolarHBondContact O-N 2.97Å; R121-L125 VanDerWaalsContact O-N 3.16Å; I122-L125 PolarHBondContact O-N 3.3Å; I122-L125 VanDerWaalsContact O-N 3.14Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 2.88Å; L125-D127 VanDerWaalsContact C-N 3.34Å; L125-Q128 WeakPolarHBondContact O-CB 3.34Å; L125-Q128 PolarHBondContact O-N 3.15Å; L125-C129 PolarHBondContact O-N 2.82Å; L125-C129 PolarHBondContact O-SG 3.43Å
126	S	95.6	Very high	95.4	Very high	13 Å²	13	45.1 Å²	45.1	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-42.2	174.4	-61.7	0	0	0	0	111.7	I122 R123 Q128 C129 Y161	I122-S126 PolarHBondContact O-N 3.41Å; I122-S126 PolarHBondContact O-OG 2.78Å; I122-S126 VanDerWaalsContact O-OG 3.06Å; R123-S126 WeakPolarHBondContact O-CB 3.25Å; R123-S126 PolarHBondContact O-N 3.15Å; R123-S126 VanDerWaalsContact O-N 3.11Å; S126-Q128 PolarHBondContact O-N 3.15Å; S126-C129 WeakPolarHBondContact O-CB 3.49Å; S126-C129 PolarHBondContact O-N 2.89Å; S126-Y161 PolarHBondContact OG-OH 3.36Å
127	D	94.9	Very high	95.4	Very high	127 Å²	127	39.6 Å²	39.6	68%	0.679	21%	0.208	S	C	*	.	H	α-helix	trans	-65.1	-24.8	177.5	-68	-20	0	0	0	112.4	R123 L125 C129	R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 3.29Å; L125-D127 VanDerWaalsContact C-N 3.34Å; D127-C129 VanDerWaalsContact C-N 3.29Å
128	Q	91.8	Very high	95.5	Very high	111 Å²	111	36.7 Å²	36.7	52%	0.519	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.5	173.1	-68.8	172.3	7.2	0	0	113.4	R64 K124 L125 S126	R64-Q128 PolarHBondContact NH1-O 3.18Å; K124-Q128 VanDerWaalsContact O-CG 3.31Å; K124-Q128 WeakPolarHBondContact O-CG 3.31Å; K124-Q128 PolarHBondContact O-N 2.99Å; L125-Q128 WeakPolarHBondContact O-CB 3.34Å; L125-Q128 PolarHBondContact O-N 3.15Å; S126-Q128 PolarHBondContact O-N 3.15Å
129	C	92.9	Very high	95.5	Very high	19 Å²	19	36.7 Å²	36.7	13%	0.128	19%	0.188	C	C	.	.			trans	-98	134.1	177.8	-61.8	0	0	0	0	110.2	E3 R64 L125 S126 D127 L132	E3-C129 HydrophobicContact CB-CB 3.93Å; E3-C129 HydrophobicContact CG-CB 4.14Å; R64-C129 PolarHBondContact NH1-SG 2.86Å; L125-C129 PolarHBondContact O-N 2.82Å; L125-C129 PolarHBondContact O-SG 3.43Å; S126-C129 WeakPolarHBondContact O-CB 3.49Å; S126-C129 PolarHBondContact O-N 2.89Å; D127-C129 VanDerWaalsContact C-N 3.29Å; C129-L132 HydrophobicContact CB-CB 3.97Å
130	T	90.9	Very high	95.4	Very high	108 Å²	108	37 Å²	37	66%	0.663	19%	0.192	S	C	*	.	S	Bend	trans	-78.6	-31.3	173.9	61.2	0	0	0	0	112.1	E3	E3-T130 PolarHBondContact OE1-N 3.44Å; E3-T130 PolarHBondContact OE1-OG1 2.79Å
131	G	89.8	Confident	95.3	Very high	29 Å²	29	34.6 Å²	34.6	30%	0.299	18%	0.179	S	C	.	.	S	Bend	trans	-150.9	61	-176.2	0	0	0	0	0	112.5	E3 Q133	E3-G131 PolarHBondContact N-O 2.81Å; E3-G131 WeakPolarHBondContact OE2-CA 3.36Å; E3-G131 PolarHBondContact OE2-N 2.88Å; G131-Q133 PolarHBondContact O-N 2.77Å; G131-Q133 VanDerWaalsContact O-N 3.15Å
132	L	94.1	Very high	95.1	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.068	17%	0.172	C	C	.	.			trans	-52.4	119.8	176.9	180	66.6	0	0	0	110.9	E3 I5 C129 F135 Y161 K164	E3-L132 WeakPolarHBondContact O-CA 3.13Å; I5-L132 HydrophobicContact CB-CD1 4.45Å; I5-L132 HydrophobicContact CD1-CD1 3.71Å; I5-L132 HydrophobicContact CD1-CD2 4.3Å; I5-L132 HydrophobicContact CG1-CD1 3.78Å; C129-L132 HydrophobicContact CB-CB 3.97Å; L132-F135 HydrophobicContact CD2-CE1 4.23Å; L132-F135 HydrophobicContact CD2-CZ 3.87Å; L132-Y161 HydrophobicContact CD2-CD1 4.47Å; L132-K164 WeakPolarHBondContact O-CD 3.33Å; L132-K164 WeakPolarHBondContact O-CE 3.29Å; L132-K164 PolarHBondContact O-NZ 2.73Å
133	Q	92.1	Very high	94.9	Very high	28 Å²	28	33.1 Å²	33.1	13%	0.131	18%	0.18	C	C	.	.			trans	-80	-45.2	174.4	-63.4	-158	-35.7	0	0	111.5	R2 E3 G131 S165 L252	R2-Q133 HydrophobicContact CB-CG 3.94Å; R2-Q133 VanDerWaalsContact CB-NE2 3.32Å; R2-Q133 HydrophobicContact CG-CG 4.42Å; E3-Q133 PolarHBondContact O-N 3.14Å; G131-Q133 PolarHBondContact O-N 2.77Å; G131-Q133 VanDerWaalsContact O-N 3.15Å; Q133-S165 PolarHBondContact O-N 3.46Å; Q133-L252 HydrophobicContact CB-CD1 3.81Å; Q133-L252 HydrophobicContact CB-CG 4.16Å
134	G	95	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-169.1	-168.5	0	0	0	0	0	114.9	I5 S165	I5-G134 PolarHBondContact N-O 3.32Å; G134-S165 CarbonylContact C-O 3.56Å; G134-S165 WeakPolarHBondContact CA-O 3.44Å
135	F	97.4	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.8	-176.9	-53.9	-79.9	0	0	0	110.6	I5 I7 I122 L132 V137 L157 Y161 K164 S165 K166 L167	I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.23Å; I5-F135 HydrophobicContact CD1-CE1 4.09Å; I5-F135 HydrophobicContact CG2-CD1 4.23Å; I5-F135 CarbonylContact O-C 3.41Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.2Å; I7-F135 HydrophobicContact CD1-CB 4.29Å; I7-F135 HydrophobicContact CD1-CD1 3.87Å; I7-F135 HydrophobicContact CD1-CG 4.33Å; I122-F135 HydrophobicContact CG2-CD1 4.41Å; I122-F135 HydrophobicContact CG2-CE1 3.57Å; I122-F135 HydrophobicContact CG2-CZ 4.16Å; L132-F135 HydrophobicContact CD2-CE1 4.23Å; L132-F135 HydrophobicContact CD2-CZ 3.87Å; F135-V137 HydrophobicContact CB-CG2 4.32Å; F135-L157 HydrophobicContact CD2-CD1 4.33Å; F135-L157 HydrophobicContact CD2-CD2 4.4Å; F135-L157 HydrophobicContact CE1-CD2 4.24Å; F135-L157 HydrophobicContact CE2-CD2 4.07Å; F135-L157 HydrophobicContact CG-CD1 4.26Å; F135-L157 HydrophobicContact CZ-CD2 3.98Å; F135-Y161 HydrophobicContact CE2-CD1 4.39Å; F135-Y161 AromaticContact CE2-CD2 3.94Å; F135-Y161 HydrophobicContact CE2-CD2 3.94Å; F135-Y161 AromaticContact CE2-CG 3.78Å; F135-Y161 HydrophobicContact CE2-CG 3.78Å; F135-Y161 HydrophobicContact CZ-CD1 4.06Å; F135-Y161 AromaticContact CZ-CD2 3.72Å; F135-Y161 HydrophobicContact CZ-CD2 3.72Å; F135-Y161 HydrophobicContact CZ-CE1 4.34Å; F135-Y161 HydrophobicContact CZ-CE2 4.03Å; F135-Y161 AromaticContact CZ-CG 3.74Å; F135-Y161 HydrophobicContact CZ-CG 3.74Å; F135-K164 HydrophobicContact CE2-CB 4.25Å; F135-S165 PolarHBondContact N-O 3.37Å; F135-K166 HydrophobicContact CD2-CG 4.07Å; F135-L167 PolarHBondContact O-N 2.86Å
136	L	97.4	Very high	94.9	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.8	168.7	-56.9	179.1	0	0	0	107.8	I5 S6 I7 F52 F138 L167 F169 T239 L252	I5-L136 PolarHBondContact O-N 2.93Å; S6-L136 CarbonylContact C-O 3.56Å; S6-L136 WeakPolarHBondContact CA-O 3.49Å; I7-L136 PolarHBondContact N-O 3.46Å; F52-L136 HydrophobicContact CE1-CD1 3.81Å; F52-L136 HydrophobicContact CZ-CD1 3.69Å; L136-F138 HydrophobicContact CB-CE2 3.74Å; L136-F138 HydrophobicContact CB-CZ 4.34Å; L136-L167 CarbonylContact C-O 3.53Å; L136-L167 WeakPolarHBondContact CA-O 3.42Å; L136-L167 HydrophobicContact CD2-CB 3.86Å; L136-L167 HydrophobicContact CD2-CD1 3.94Å; L136-F169 HydrophobicContact CB-CE2 4.48Å; L136-F169 HydrophobicContact CD2-CE2 4.37Å; L136-T239 HydrophobicContact CD1-CG2 3.91Å; L136-L252 HydrophobicContact CD2-CD2 4.01Å
137	V	98.4	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.2	-173.6	-174.7	0	0	0	0	110	I7 F135 T150 M154 L167 Q168 F169	I7-V137 HydrophobicContact CD1-CG2 4.47Å; I7-V137 CarbonylContact O-C 3.48Å; I7-V137 WeakPolarHBondContact O-CA 3.48Å; F135-V137 HydrophobicContact CB-CG2 4.32Å; V137-T150 HydrophobicContact CG1-CG2 3.89Å; V137-M154 HydrophobicContact CG2-SD 3.93Å; V137-L167 PolarHBondContact N-O 2.84Å; V137-Q168 HydrophobicContact CB-CG 4.41Å; V137-Q168 CarbonylContact O-C 3.55Å; V137-Q168 VanDerWaalsContact O-CA 3.31Å; V137-Q168 WeakPolarHBondContact O-CA 3.49Å; V137-F169 PolarHBondContact O-N 3.22Å
138	F	98.4	Very high	95.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.7	-179.1	-62.1	-98.8	0	0	0	109.3	I7 H8 V9 G13 I16 L136 F169 V235	I7-F138 PolarHBondContact O-N 3.3Å; H8-F138 AromaticContact CE1-CD2 3.22Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.33Å; H8-F138 AromaticContact CE1-CE2 3.57Å; H8-F138 AromaticContact CE1-CG 3.69Å; H8-F138 AromaticContact ND1-CD2 3.43Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.31Å; H8-F138 AromaticContact ND1-CG 3.53Å; V9-F138 PolarHBondContact N-O 2.91Å; G13-F138 WeakPolarHBondContact CA-O 3.17Å; I16-F138 HydrophobicContact CG2-CD1 3.99Å; L136-F138 HydrophobicContact CB-CE2 3.74Å; L136-F138 HydrophobicContact CB-CZ 4.34Å; F138-F169 HydrophobicContact CD1-CB 3.51Å; F138-F169 AromaticContact CD1-CD2 3.77Å; F138-F169 HydrophobicContact CD1-CD2 3.77Å; F138-F169 AromaticContact CD1-CG 3.82Å; F138-F169 HydrophobicContact CD1-CG 3.82Å; F138-F169 HydrophobicContact CD2-CD2 4.47Å; F138-F169 HydrophobicContact CE1-CB 3.78Å; F138-F169 HydrophobicContact CE1-CD1 4.33Å; F138-F169 AromaticContact CE1-CD2 3.24Å; F138-F169 HydrophobicContact CE1-CD2 3.24Å; F138-F169 AromaticContact CE1-CE2 3.85Å; F138-F169 HydrophobicContact CE1-CE2 3.85Å; F138-F169 AromaticContact CE1-CG 3.52Å; F138-F169 HydrophobicContact CE1-CG 3.52Å; F138-F169 HydrophobicContact CE2-CD2 4.04Å; F138-F169 HydrophobicContact CE2-CE2 4.43Å; F138-F169 HydrophobicContact CG-CB 4.23Å; F138-F169 HydrophobicContact CG-CD2 4.35Å; F138-F169 AromaticContact CZ-CD2 3.4Å; F138-F169 HydrophobicContact CZ-CD2 3.4Å; F138-F169 VanDerWaalsContact CZ-CD2 3.4Å; F138-F169 AromaticContact CZ-CE2 3.66Å; F138-F169 HydrophobicContact CZ-CE2 3.66Å; F138-F169 HydrophobicContact CZ-CG 4.16Å; F138-V235 HydrophobicContact CE1-CB 4.46Å; F138-V235 HydrophobicContact CE1-CG1 3.6Å; F138-V235 HydrophobicContact CE1-CG2 3.97Å; F138-V235 HydrophobicContact CZ-CG1 3.73Å
139	H	98.1	Very high	95.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	172.2	-176.4	74.5	114.6	0	0	0	111.8	V9 F141 G146 T150 Q168 F169 S170 V171	V9-H139 HydrophobicContact CB-CB 4.28Å; H139-F141 AromaticContact CE1-CD1 3.72Å; H139-F141 AromaticContact CE1-CE1 3.73Å; H139-G146 WeakPolarHBondContact CB-O 3.3Å; H139-G146 PolarHBondContact ND1-O 3.23Å; H139-T150 HydrophobicContact CB-CG2 4.25Å; H139-T150 WeakPolarHBondContact CB-OG1 3.32Å; H139-Q168 PolarHBondContact NE2-OE1 3.21Å; H139-F169 PolarHBondContact N-O 3.03Å; H139-F169 VanDerWaalsContact N-O 3.09Å; H139-S170 WeakPolarHBondContact NE2-CB 3.32Å; H139-S170 PolarHBondContact NE2-OG 3.41Å; H139-S170 WeakPolarHBondContact O-CA 3.41Å; H139-V171 PolarHBondContact O-N 3.19Å
140	S	95.6	Very high	95.7	Very high	17 Å²	17	11.6 Å²	11.6	12%	0.119	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	145.5	169.9	61.7	0	0	0	0	111.2	G143 G146 S147	S140-G143 PolarHBondContact OG-N 3.14Å; S140-G146 CarbonylContact O-C 3.6Å; S140-G146 WeakPolarHBondContact O-CA 3.25Å; S140-S147 PolarHBondContact O-N 3.28Å
141	F	94.9	Very high	96	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	5%	0.048	C	C	.	.	S	Bend	trans	-71.1	-31.8	168.7	-70.2	-32.5	0	0	0	113.2	H139 S147 V171 Y172 N186 S187 T190 M203 W388	H139-F141 AromaticContact CE1-CD1 3.72Å; H139-F141 AromaticContact CE1-CE1 3.73Å; F141-S147 WeakPolarHBondContact O-CB 3.32Å; F141-V171 PolarHBondContact N-O 3.14Å; F141-Y172 HydrophobicContact CD2-CD2 4.3Å; F141-N186 CarbonylContact O-C 3.43Å; F141-N186 VanDerWaalsContact O-CB 3.28Å; F141-N186 WeakPolarHBondContact O-CB 3.2Å; F141-S187 WeakPolarHBondContact CB-OG 3.4Å; F141-S187 PolarHBondContact O-N 3.14Å; F141-T190 HydrophobicContact CB-CG2 4.41Å; F141-T190 HydrophobicContact CD1-CG2 3.48Å; F141-T190 VanDerWaalsContact CD1-CG2 3.48Å; F141-T190 HydrophobicContact CE1-CG2 4.11Å; F141-T190 HydrophobicContact CG-CG2 4.3Å; F141-M203 HydrophobicContact CE2-CE 4.18Å; F141-M203 HydrophobicContact CE2-CG 4.34Å; F141-W388 HydrophobicContact CE2-CH2 4.03Å; F141-W388 HydrophobicContact CE2-CZ3 4.49Å; F141-W388 HydrophobicContact CZ-CH2 4.12Å
142	G	91.4	Very high	96.4	Very high	5 Å²	5	5.2 Å²	5.2	5%	0.052	4%	0.035	C	C	.	.	S	Bend	trans	-78.2	-35.7	-172.2	0	0	0	0	0	115.8	N186	G142-N186 PolarHBondContact O-ND2 2.89Å
143	G	94	Very high	96.6	Very high	17 Å²	17	4.6 Å²	4.6	18%	0.175	3%	0.031	C	C	.	.	S	Bend	trans	-81.8	145.3	-175.4	0	0	0	0	0	113	S140 T145 G146 S147	S140-G143 PolarHBondContact OG-N 3.14Å; G143-T145 PolarHBondContact O-N 3.49Å; G143-G146 PolarHBondContact O-N 2.89Å; G143-S147 VanDerWaalsContact O-CB 3.32Å; G143-S147 WeakPolarHBondContact O-CB 3.46Å; G143-S147 PolarHBondContact O-N 3.3Å; G143-S147 PolarHBondContact O-OG 3.32Å
144	G	95.8	Very high	96.9	Very high	2 Å²	2	3.2 Å²	3.2	2%	0.021	3%	0.025	C	C	.	.	H	α-helix	trans	-63.6	-35.8	-176.7	0	0	0	0	0	114.4	A99 S147 G148	A99-G144 VanDerWaalsContact CB-C 3.43Å; G144-S147 PolarHBondContact O-OG 3.19Å; G144-G148 PolarHBondContact O-N 3.49Å
145	T	97.3	Very high	97	Very high	14 Å²	14	5.6 Å²	5.6	9%	0.086	4%	0.036	C	C	.	.	I	π-helix	trans	-71.1	-49.7	172.1	-52	0	0	0	0	110.2	V9 L70 G143 S147 F149 T150	V9-T145 HydrophobicContact CG1-CG2 3.99Å; L70-T145 HydrophobicContact CB-CG2 4.44Å; L70-T145 HydrophobicContact CD1-CG2 4.04Å; L70-T145 WeakPolarHBondContact CD1-OG1 3.32Å; L70-T145 HydrophobicContact CG-CG2 3.76Å; G143-T145 PolarHBondContact O-N 3.49Å; T145-S147 PolarHBondContact O-N 3.44Å; T145-F149 HydrophobicContact CG2-CB 4.14Å; T145-F149 VanDerWaalsContact O-CB 3.23Å; T145-F149 WeakPolarHBondContact O-CB 3.28Å; T145-F149 PolarHBondContact O-N 2.86Å; T145-F149 VanDerWaalsContact O-N 3.09Å; T145-T150 PolarHBondContact O-N 3.36Å
146	G	96.8	Very high	97	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.021	5%	0.051	C	C	.	.	I	π-helix	trans	-62.9	-29	-177.5	0	0	0	0	0	113.6	H139 S140 G143 T150	H139-G146 WeakPolarHBondContact CB-O 3.3Å; H139-G146 PolarHBondContact ND1-O 3.23Å; S140-G146 CarbonylContact O-C 3.6Å; S140-G146 WeakPolarHBondContact O-CA 3.25Å; G143-G146 PolarHBondContact O-N 2.89Å; G146-T150 WeakPolarHBondContact O-CB 3.22Å; G146-T150 PolarHBondContact O-OG1 3.25Å
147	S	97.3	Very high	97	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-89.4	-68.9	175.6	64.8	0	0	0	0	110.6	S140 F141 G143 G144 T145 T150 S151 T190	S140-S147 PolarHBondContact O-N 3.28Å; F141-S147 WeakPolarHBondContact O-CB 3.32Å; G143-S147 VanDerWaalsContact O-CB 3.32Å; G143-S147 WeakPolarHBondContact O-CB 3.46Å; G143-S147 PolarHBondContact O-N 3.3Å; G143-S147 PolarHBondContact O-OG 3.32Å; G144-S147 PolarHBondContact O-OG 3.19Å; T145-S147 PolarHBondContact O-N 3.44Å; S147-T150 PolarHBondContact O-N 3.24Å; S147-S151 PolarHBondContact O-N 3.39Å; S147-S151 PolarHBondContact O-OG 2.88Å; S147-T190 PolarHBondContact O-OG1 3.11Å; S147-T190 VanDerWaalsContact O-OG1 3.11Å
148	G	97.8	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-64.5	-47.2	-170.5	0	0	0	0	0	114.5	Y103 G106 H107 G144 T150 S151 L152	Y103-G148 VanDerWaalsContact CE2-CA 3.5Å; Y103-G148 WeakPolarHBondContact O-CA 3.42Å; G106-G148 VanDerWaalsContact C-C 3.46Å; G106-G148 CarbonylContact O-C 3.56Å; H107-G148 WeakPolarHBondContact CA-O 3.36Å; H107-G148 WeakPolarHBondContact CB-O 3.29Å; H107-G148 PolarHBondContact ND1-O 3.33Å; G144-G148 PolarHBondContact O-N 3.49Å; G148-T150 VanDerWaalsContact C-N 3.35Å; G148-S151 PolarHBondContact O-N 3.18Å; G148-L152 PolarHBondContact O-N 2.82Å; G148-L152 VanDerWaalsContact O-N 3.11Å
149	F	98.5	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-70.7	-34.6	-179.8	-173.8	-99.4	0	0	0	111.5	V9 V68 G106 I114 I115 V118 T145 L152 L153	V9-F149 HydrophobicContact CG1-CB 4.34Å; V9-F149 HydrophobicContact CG1-CD1 3.72Å; V68-F149 HydrophobicContact CB-CE1 4.26Å; V68-F149 HydrophobicContact CG1-CD1 4.22Å; V68-F149 HydrophobicContact CG1-CE1 3.62Å; V68-F149 HydrophobicContact CG1-CZ 4.08Å; G106-F149 WeakPolarHBondContact O-CA 3.5Å; G106-F149 PolarHBondContact O-N 3.3Å; I114-F149 HydrophobicContact CD1-CD2 4.12Å; I114-F149 HydrophobicContact CD1-CE1 4.32Å; I114-F149 HydrophobicContact CD1-CE2 3.63Å; I114-F149 HydrophobicContact CD1-CZ 3.75Å; I114-F149 HydrophobicContact CG1-CD2 4.19Å; I114-F149 HydrophobicContact CG1-CE2 3.6Å; I114-F149 HydrophobicContact CG1-CZ 4.12Å; I115-F149 HydrophobicContact CB-CE2 4.11Å; I115-F149 HydrophobicContact CD1-CE2 3.96Å; I115-F149 HydrophobicContact CD1-CZ 3.87Å; V118-F149 HydrophobicContact CB-CZ 4.15Å; V118-F149 HydrophobicContact CG1-CE1 4.37Å; V118-F149 HydrophobicContact CG1-CZ 4.23Å; V118-F149 HydrophobicContact CG2-CE1 4.36Å; V118-F149 HydrophobicContact CG2-CZ 3.85Å; T145-F149 HydrophobicContact CG2-CB 4.14Å; T145-F149 VanDerWaalsContact O-CB 3.23Å; T145-F149 WeakPolarHBondContact O-CB 3.28Å; T145-F149 PolarHBondContact O-N 2.86Å; T145-F149 VanDerWaalsContact O-N 3.09Å; F149-L152 HydrophobicContact CD2-CD2 4.4Å; F149-L152 HydrophobicContact CE2-CD2 4.5Å; F149-L152 PolarHBondContact O-N 3.37Å; F149-L153 HydrophobicContact CE1-CB 4.46Å; F149-L153 HydrophobicContact CE1-CD2 4.41Å; F149-L153 VanDerWaalsContact O-CB 3.27Å; F149-L153 WeakPolarHBondContact O-CB 3.45Å; F149-L153 PolarHBondContact O-N 2.93Å
150	T	98.5	Very high	96.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-46.4	174.1	-58.2	0	0	0	0	111.4	V9 V137 H139 T145 G146 S147 G148 L152 L153 M154	V9-T150 WeakPolarHBondContact CG1-OG1 3.45Å; V137-T150 HydrophobicContact CG1-CG2 3.89Å; H139-T150 HydrophobicContact CB-CG2 4.25Å; H139-T150 WeakPolarHBondContact CB-OG1 3.32Å; T145-T150 PolarHBondContact O-N 3.36Å; G146-T150 WeakPolarHBondContact O-CB 3.22Å; G146-T150 PolarHBondContact O-OG1 3.25Å; S147-T150 PolarHBondContact O-N 3.24Å; G148-T150 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 3.49Å; T150-L153 PolarHBondContact O-N 3.31Å; T150-L153 VanDerWaalsContact O-N 3.13Å; T150-M154 HydrophobicContact CG2-CG 4.1Å; T150-M154 WeakPolarHBondContact O-CB 3.2Å; T150-M154 VanDerWaalsContact O-CG 3.24Å; T150-M154 WeakPolarHBondContact O-CG 3.03Å; T150-M154 PolarHBondContact O-N 2.87Å
151	S	98.1	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.1	-49.8	175.3	-67.3	0	0	0	0	112	Y103 S147 G148 L153 M154 E155 T190 T193	Y103-S151 WeakPolarHBondContact OH-CB 3.45Å; S147-S151 PolarHBondContact O-N 3.39Å; S147-S151 PolarHBondContact O-OG 2.88Å; G148-S151 PolarHBondContact O-N 3.18Å; S151-L153 VanDerWaalsContact C-N 3.29Å; S151-L153 PolarHBondContact O-N 3.09Å; S151-M154 PolarHBondContact O-N 2.7Å; S151-E155 WeakPolarHBondContact O-CG 3.34Å; S151-E155 PolarHBondContact O-N 2.66Å; S151-E155 VanDerWaalsContact O-N 3.12Å; S151-T190 WeakPolarHBondContact OG-CA 3.43Å; S151-T190 PolarHBondContact OG-OG1 3.4Å; S151-T193 WeakPolarHBondContact CB-OG1 3.28Å; S151-T193 PolarHBondContact OG-OG1 3.47Å
152	L	98.1	Very high	96.6	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-41.1	176.2	176.5	65.3	0	0	0	111.9	H107 K112 I115 G148 F149 T150 R156	H107-L152 PolarHBondContact ND1-N 3.38Å; K112-L152 HydrophobicContact CG-CD2 4.27Å; I115-L152 HydrophobicContact CB-CD2 3.97Å; I115-L152 HydrophobicContact CD1-CD2 4.35Å; I115-L152 HydrophobicContact CD1-CG 4.21Å; I115-L152 HydrophobicContact CG1-CD2 4.09Å; I115-L152 HydrophobicContact CG1-CG 4.17Å; I115-L152 HydrophobicContact CG2-CD2 4.36Å; G148-L152 PolarHBondContact O-N 2.82Å; G148-L152 VanDerWaalsContact O-N 3.11Å; F149-L152 HydrophobicContact CD2-CD2 4.4Å; F149-L152 HydrophobicContact CE2-CD2 4.5Å; F149-L152 PolarHBondContact O-N 3.37Å; T150-L152 PolarHBondContact O-N 3.49Å; L152-R156 VanDerWaalsContact O-CG 3.26Å; L152-R156 WeakPolarHBondContact O-CG 3.42Å; L152-R156 PolarHBondContact O-N 2.85Å
153	L	98.3	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-41.6	179.8	179.9	62.2	0	0	0	111.8	I7 V9 I115 V118 L119 I122 F149 T150 S151 R156 L157	I7-L153 HydrophobicContact CD1-CD2 4.3Å; I7-L153 HydrophobicContact CG2-CD2 3.8Å; V9-L153 HydrophobicContact CG2-CD2 4.24Å; I115-L153 HydrophobicContact CD1-CB 4.31Å; I115-L153 HydrophobicContact CD1-CD1 3.88Å; V118-L153 HydrophobicContact CG1-CD1 4.14Å; L119-L153 HydrophobicContact CD2-CD1 3.93Å; I122-L153 HydrophobicContact CD1-CD1 3.88Å; F149-L153 HydrophobicContact CE1-CB 4.46Å; F149-L153 HydrophobicContact CE1-CD2 4.41Å; F149-L153 VanDerWaalsContact O-CB 3.27Å; F149-L153 WeakPolarHBondContact O-CB 3.45Å; F149-L153 PolarHBondContact O-N 2.93Å; T150-L153 PolarHBondContact O-N 3.31Å; T150-L153 VanDerWaalsContact O-N 3.13Å; S151-L153 VanDerWaalsContact C-N 3.29Å; S151-L153 PolarHBondContact O-N 3.09Å; L153-R156 PolarHBondContact O-N 3.19Å; L153-L157 HydrophobicContact CD1-CD1 4.28Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CD2-CD1 4.45Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.19Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.09Å
154	M	98.1	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-38.9	-179.3	-73.3	-67.9	-72.9	0	0	112.2	V137 T150 S151 S158 K166 Q168 T194 H197	V137-M154 HydrophobicContact CG2-SD 3.93Å; T150-M154 HydrophobicContact CG2-CG 4.1Å; T150-M154 WeakPolarHBondContact O-CB 3.2Å; T150-M154 VanDerWaalsContact O-CG 3.24Å; T150-M154 WeakPolarHBondContact O-CG 3.03Å; T150-M154 PolarHBondContact O-N 2.87Å; S151-M154 PolarHBondContact O-N 2.7Å; M154-S158 WeakPolarHBondContact O-CB 3.45Å; M154-S158 PolarHBondContact O-N 3.09Å; M154-S158 PolarHBondContact O-OG 3.35Å; M154-K166 HydrophobicContact CE-CB 3.89Å; M154-K166 HydrophobicContact CE-CD 4.31Å; M154-K166 HydrophobicContact SD-CB 4.45Å; M154-Q168 HydrophobicContact CE-CG 4.12Å; M154-T194 HydrophobicContact CB-CG2 4.19Å; M154-T194 HydrophobicContact CG-CG2 4.12Å; M154-H197 HydrophobicContact CB-CB 3.98Å; M154-H197 HydrophobicContact CE-CB 4.26Å; M154-H197 WeakPolarHBondContact CE-O 3.22Å
155	E	97.2	Very high	96.6	Very high	50 Å²	50	36.6 Å²	36.6	23%	0.234	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-50.4	170.6	-73.6	169.2	-165.2	0	0	111.2	H107 S151 S158 M159 H197	H107-E155 IonicContact CE1-OE1 3.65Å; H107-E155 PolarHBondContact CE1-OE1 3.24Å; H107-E155 VanDerWaalsContact CE1-OE1 3.24Å; H107-E155 IonicContact CE1-OE2 2.64Å; H107-E155 IonicContact NE2-OE1 3.64Å; S151-E155 WeakPolarHBondContact O-CG 3.34Å; S151-E155 PolarHBondContact O-N 2.66Å; S151-E155 VanDerWaalsContact O-N 3.12Å; E155-S158 PolarHBondContact O-N 3.32Å; E155-M159 WeakPolarHBondContact O-CG 3.3Å; E155-M159 PolarHBondContact O-N 3.35Å; E155-H197 WeakPolarHBondContact CG-NE2 3.24Å
156	R	97.7	Very high	96.6	Very high	85 Å²	85	36.4 Å²	36.4	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-67.1	-39.9	-178.5	-62.8	-65.2	175.8	-173.5	-2.2	112.5	I115 L119 L152 L153 S158 M159 D160	I115-R156 HydrophobicContact CD1-CG 4.36Å; I115-R156 HydrophobicContact CG1-CG 4.14Å; L119-R156 HydrophobicContact CD1-CB 3.83Å; L119-R156 HydrophobicContact CD1-CG 4.05Å; L119-R156 HydrophobicContact CD2-CB 3.88Å; L119-R156 HydrophobicContact CG-CB 4.44Å; L152-R156 VanDerWaalsContact O-CG 3.26Å; L152-R156 WeakPolarHBondContact O-CG 3.42Å; L152-R156 PolarHBondContact O-N 2.85Å; L153-R156 PolarHBondContact O-N 3.19Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 3.06Å; R156-M159 WeakPolarHBondContact O-CB 3.47Å; R156-M159 PolarHBondContact O-N 3.27Å; R156-D160 PolarHBondContact O-N 2.91Å
157	L	97.6	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-36.2	174.4	-72.6	177.6	0	0	0	111.7	I7 I122 F135 L153 Y161 K166	I7-L157 HydrophobicContact CD1-CD1 3.82Å; I122-L157 HydrophobicContact CD1-CD2 4.27Å; I122-L157 HydrophobicContact CG2-CD2 4.12Å; F135-L157 HydrophobicContact CD2-CD1 4.33Å; F135-L157 HydrophobicContact CD2-CD2 4.4Å; F135-L157 HydrophobicContact CE1-CD2 4.24Å; F135-L157 HydrophobicContact CE2-CD2 4.07Å; F135-L157 HydrophobicContact CG-CD1 4.26Å; F135-L157 HydrophobicContact CZ-CD2 3.98Å; L153-L157 HydrophobicContact CD1-CD1 4.28Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CD2-CD1 4.45Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.19Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.09Å; L157-Y161 HydrophobicContact CD2-CD2 3.89Å; L157-Y161 HydrophobicContact CD2-CE2 4.12Å; L157-Y161 CarbonylContact O-C 3.48Å; L157-Y161 VanDerWaalsContact O-CA 3.28Å; L157-Y161 WeakPolarHBondContact O-CA 3.41Å; L157-Y161 WeakPolarHBondContact O-CB 2.95Å; L157-Y161 PolarHBondContact O-N 3.19Å; L157-K166 HydrophobicContact CB-CD 4.28Å
158	S	96.6	Very high	96.6	Very high	25 Å²	25	36.5 Å²	36.5	18%	0.175	18%	0.183	C	C	.	.	H	α-helix	trans	-69.8	-35.5	176.4	-61.6	0	0	0	0	112.2	M154 E155 R156 G162 K166 H197	M154-S158 WeakPolarHBondContact O-CB 3.45Å; M154-S158 PolarHBondContact O-N 3.09Å; M154-S158 PolarHBondContact O-OG 3.35Å; E155-S158 PolarHBondContact O-N 3.32Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 3.06Å; S158-G162 WeakPolarHBondContact O-CA 3.23Å; S158-G162 PolarHBondContact O-N 3.03Å; S158-G162 VanDerWaalsContact O-N 3.15Å; S158-K166 WeakPolarHBondContact OG-CE 3.27Å; S158-H197 WeakPolarHBondContact OG-CB 3.44Å; S158-H197 PolarHBondContact OG-ND1 3.19Å
159	M	96	Very high	96.5	Very high	121 Å²	121	36.9 Å²	36.9	60%	0.596	19%	0.185	S	C	*	.	H	α-helix	trans	-64.7	-50.3	172.1	-71.8	174.4	26.3	0	0	112.6	E155 R156	E155-M159 WeakPolarHBondContact O-CG 3.3Å; E155-M159 PolarHBondContact O-N 3.35Å; R156-M159 WeakPolarHBondContact O-CB 3.47Å; R156-M159 PolarHBondContact O-N 3.27Å
160	D	96.1	Very high	96.4	Very high	87 Å²	87	36.9 Å²	36.9	47%	0.465	19%	0.185	S	C	.	.	H	α-helix	trans	-81.9	-32.3	-172.3	-70.1	-9.5	0	0	0	112.5	R156	R156-D160 PolarHBondContact O-N 2.91Å
161	Y	96.1	Very high	96.2	Very high	38 Å²	38	37.3 Å²	37.3	15%	0.149	19%	0.187	C	C	.	.	S	Bend	trans	-129.7	40.2	-172.6	-55.5	-85.7	0	0	0	112.7	I122 R123 S126 L132 F135 L157 K163 K164	I122-Y161 HydrophobicContact CG2-CE2 4.38Å; R123-Y161 WeakPolarHBondContact CA-OH 3.34Å; S126-Y161 PolarHBondContact OG-OH 3.36Å; L132-Y161 HydrophobicContact CD2-CD1 4.47Å; F135-Y161 HydrophobicContact CE2-CD1 4.39Å; F135-Y161 AromaticContact CE2-CD2 3.94Å; F135-Y161 HydrophobicContact CE2-CD2 3.94Å; F135-Y161 AromaticContact CE2-CG 3.78Å; F135-Y161 HydrophobicContact CE2-CG 3.78Å; F135-Y161 HydrophobicContact CZ-CD1 4.06Å; F135-Y161 AromaticContact CZ-CD2 3.72Å; F135-Y161 HydrophobicContact CZ-CD2 3.72Å; F135-Y161 HydrophobicContact CZ-CE1 4.34Å; F135-Y161 HydrophobicContact CZ-CE2 4.03Å; F135-Y161 AromaticContact CZ-CG 3.74Å; F135-Y161 HydrophobicContact CZ-CG 3.74Å; L157-Y161 HydrophobicContact CD2-CD2 3.89Å; L157-Y161 HydrophobicContact CD2-CE2 4.12Å; L157-Y161 CarbonylContact O-C 3.48Å; L157-Y161 VanDerWaalsContact O-CA 3.28Å; L157-Y161 WeakPolarHBondContact O-CA 3.41Å; L157-Y161 WeakPolarHBondContact O-CB 2.95Å; L157-Y161 PolarHBondContact O-N 3.19Å; Y161-K163 PolarHBondContact O-N 3.44Å; Y161-K164 HydrophobicContact CD1-CG 4.43Å; Y161-K164 WeakPolarHBondContact O-CB 3.25Å; Y161-K164 PolarHBondContact O-N 2.99Å
162	G	92	Very high	95.9	Very high	53 Å²	53	37.5 Å²	37.5	55%	0.546	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.1	-171.6	0	0	0	0	0	116.9	S158	S158-G162 WeakPolarHBondContact O-CA 3.23Å; S158-G162 PolarHBondContact O-N 3.03Å; S158-G162 VanDerWaalsContact O-N 3.15Å
163	K	92.4	Very high	95.3	Very high	210 Å²	210	37.8 Å²	37.8	91%	0.913	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.7	176.9	-63.6	-174.3	179.7	-178.7	0	114.7	Y161	Y161-K163 PolarHBondContact O-N 3.44Å
164	K	94.8	Very high	94.3	Very high	74 Å²	74	37.8 Å²	37.8	32%	0.322	19%	0.19	S	C	.	.	S	Bend	trans	-94.7	139.1	-175.8	-57.7	-57.3	-174.2	177.3	0	110	L132 F135 Y161 K166	L132-K164 WeakPolarHBondContact O-CD 3.33Å; L132-K164 WeakPolarHBondContact O-CE 3.29Å; L132-K164 PolarHBondContact O-NZ 2.73Å; F135-K164 HydrophobicContact CE2-CB 4.25Å; Y161-K164 HydrophobicContact CD1-CG 4.43Å; Y161-K164 WeakPolarHBondContact O-CB 3.25Å; Y161-K164 PolarHBondContact O-N 2.99Å; K164-K166 PolarHBondContact O-NZ 2.93Å
165	S	94.6	Very high	92.9	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	142.3	-179.4	-61.9	0	0	0	0	111	Q133 G134 F135 D199	Q133-S165 PolarHBondContact O-N 3.46Å; G134-S165 CarbonylContact C-O 3.56Å; G134-S165 WeakPolarHBondContact CA-O 3.44Å; F135-S165 PolarHBondContact N-O 3.37Å; S165-D199 VanDerWaalsContact CA-OD2 3.23Å; S165-D199 WeakPolarHBondContact CA-OD2 3.23Å
166	K	96.6	Very high	91.4	Very high	10 Å²	10	45 Å²	45	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109	178.4	-64.5	159.9	-65.6	-67.5	0	108	F135 M154 L157 S158 K164 H197 D199	F135-K166 HydrophobicContact CD2-CG 4.07Å; M154-K166 HydrophobicContact CE-CB 3.89Å; M154-K166 HydrophobicContact CE-CD 4.31Å; M154-K166 HydrophobicContact SD-CB 4.45Å; L157-K166 HydrophobicContact CB-CD 4.28Å; S158-K166 WeakPolarHBondContact OG-CE 3.27Å; K164-K166 PolarHBondContact O-NZ 2.93Å; K166-H197 WeakPolarHBondContact CD-O 3.4Å; K166-H197 WeakPolarHBondContact CE-O 3.34Å; K166-D199 PolarHBondContact N-OD2 3.36Å; K166-D199 IonicContact NZ-OD2 2.8Å; K166-D199 PolarHBondContact O-N 2.92Å
167	L	95.8	Very high	90	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.1	177.1	-73.1	134.9	0	0	0	109.8	F135 L136 V137 C200 F202 L252 F255	F135-L167 PolarHBondContact O-N 2.86Å; L136-L167 CarbonylContact C-O 3.53Å; L136-L167 WeakPolarHBondContact CA-O 3.42Å; L136-L167 HydrophobicContact CD2-CB 3.86Å; L136-L167 HydrophobicContact CD2-CD1 3.94Å; V137-L167 PolarHBondContact N-O 2.84Å; L167-C200 CarbonylContact C-O 3.44Å; L167-C200 VanDerWaalsContact CA-O 3.24Å; L167-C200 WeakPolarHBondContact CA-O 3.46Å; L167-C200 HydrophobicContact CD2-CB 3.5Å; L167-C200 VanDerWaalsContact CD2-CB 3.5Å; L167-C200 HydrophobicContact CG-CB 4.45Å; L167-F202 HydrophobicContact CD2-CE2 3.66Å; L167-F202 HydrophobicContact CD2-CZ 4.08Å; L167-L252 HydrophobicContact CD1-CB 3.82Å; L167-L252 HydrophobicContact CD1-CD1 4.19Å; L167-L252 HydrophobicContact CD1-CD2 3.44Å; L167-L252 VanDerWaalsContact CD1-CD2 3.44Å; L167-L252 HydrophobicContact CD1-CG 3.99Å; L167-F255 HydrophobicContact CD2-CB 4.23Å
168	Q	97.1	Very high	88.8	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.4	179.7	-59.3	-171.9	80.3	0	0	111.4	V137 H139 M154 S198 C200 A201 F202	V137-Q168 HydrophobicContact CB-CG 4.41Å; V137-Q168 CarbonylContact O-C 3.55Å; V137-Q168 VanDerWaalsContact O-CA 3.31Å; V137-Q168 WeakPolarHBondContact O-CA 3.49Å; H139-Q168 PolarHBondContact NE2-OE1 3.21Å; M154-Q168 HydrophobicContact CE-CG 4.12Å; Q168-S198 PolarHBondContact NE2-OG 3.11Å; Q168-C200 PolarHBondContact N-O 3.29Å; Q168-A201 HydrophobicContact CB-CB 3.93Å; Q168-F202 PolarHBondContact O-N 2.86Å
169	F	96.9	Very high	87.7	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	99	164.5	-68.1	-84.2	0	0	0	106.9	L136 V137 F138 H139 F202 V235 I238	L136-F169 HydrophobicContact CB-CE2 4.48Å; L136-F169 HydrophobicContact CD2-CE2 4.37Å; V137-F169 PolarHBondContact O-N 3.22Å; F138-F169 HydrophobicContact CD1-CB 3.51Å; F138-F169 AromaticContact CD1-CD2 3.77Å; F138-F169 HydrophobicContact CD1-CD2 3.77Å; F138-F169 AromaticContact CD1-CG 3.82Å; F138-F169 HydrophobicContact CD1-CG 3.82Å; F138-F169 HydrophobicContact CD2-CD2 4.47Å; F138-F169 HydrophobicContact CE1-CB 3.78Å; F138-F169 HydrophobicContact CE1-CD1 4.33Å; F138-F169 AromaticContact CE1-CD2 3.24Å; F138-F169 HydrophobicContact CE1-CD2 3.24Å; F138-F169 AromaticContact CE1-CE2 3.85Å; F138-F169 HydrophobicContact CE1-CE2 3.85Å; F138-F169 AromaticContact CE1-CG 3.52Å; F138-F169 HydrophobicContact CE1-CG 3.52Å; F138-F169 HydrophobicContact CE2-CD2 4.04Å; F138-F169 HydrophobicContact CE2-CE2 4.43Å; F138-F169 HydrophobicContact CG-CB 4.23Å; F138-F169 HydrophobicContact CG-CD2 4.35Å; F138-F169 AromaticContact CZ-CD2 3.4Å; F138-F169 HydrophobicContact CZ-CD2 3.4Å; F138-F169 VanDerWaalsContact CZ-CD2 3.4Å; F138-F169 AromaticContact CZ-CE2 3.66Å; F138-F169 HydrophobicContact CZ-CE2 3.66Å; F138-F169 HydrophobicContact CZ-CG 4.16Å; H139-F169 PolarHBondContact N-O 3.03Å; H139-F169 VanDerWaalsContact N-O 3.09Å; F169-F202 HydrophobicContact CD1-CB 3.91Å; F169-F202 AromaticContact CD1-CD2 3.95Å; F169-F202 HydrophobicContact CD1-CD2 3.95Å; F169-F202 HydrophobicContact CD1-CG 4.32Å; F169-F202 HydrophobicContact CE1-CB 4.14Å; F169-F202 AromaticContact CE1-CD2 3.5Å; F169-F202 HydrophobicContact CE1-CD2 3.5Å; F169-F202 HydrophobicContact CE1-CE2 4.22Å; F169-F202 HydrophobicContact CE1-CG 4.07Å; F169-F202 HydrophobicContact CE2-CD2 4.44Å; F169-F202 AromaticContact CZ-CD2 3.79Å; F169-F202 HydrophobicContact CZ-CD2 3.79Å; F169-F202 HydrophobicContact CZ-CE2 4.14Å; F169-V235 HydrophobicContact CD1-CG2 3.86Å; F169-V235 HydrophobicContact CE1-CB 4.46Å; F169-V235 HydrophobicContact CE1-CG1 4.32Å; F169-V235 HydrophobicContact CE1-CG2 3.92Å; F169-V235 HydrophobicContact CE2-CG1 4.37Å; F169-V235 HydrophobicContact CG-CG2 4.41Å; F169-V235 HydrophobicContact CZ-CG1 4.11Å; F169-I238 HydrophobicContact CE1-CD1 3.8Å; F169-I238 HydrophobicContact CZ-CD1 4.48Å; F169-I238 HydrophobicContact CZ-CG2 4.18Å
170	S	95.7	Very high	87.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.2	-166.9	-50	0	0	0	0	110	H139 Y172 F202 V204	H139-S170 WeakPolarHBondContact NE2-CB 3.32Å; H139-S170 PolarHBondContact NE2-OG 3.41Å; H139-S170 WeakPolarHBondContact O-CA 3.41Å; S170-Y172 PolarHBondContact O-N 3.16Å; S170-F202 PolarHBondContact N-O 3.35Å; S170-V204 PolarHBondContact O-N 2.9Å
171	V	94.5	Very high	87	Confident	8 Å²	8	43.8 Å²	43.8	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	112.5	176	-175.9	0	0	0	0	109.3	A12 I16 H139 F141 V204 N206	A12-V171 HydrophobicContact CB-CG2 4.47Å; I16-V171 HydrophobicContact CD1-CG2 3.34Å; H139-V171 PolarHBondContact O-N 3.19Å; F141-V171 PolarHBondContact N-O 3.14Å; V171-V204 CarbonylContact C-O 3.58Å; V171-V204 WeakPolarHBondContact CA-O 3.44Å; V171-N206 VanDerWaalsContact CG1-ND2 3.3Å; V171-N206 WeakPolarHBondContact CG1-ND2 3.26Å; V171-N206 WeakPolarHBondContact CG1-OD1 3.46Å
172	Y	91.9	Very high	86.9	Confident	4 Å²	4	43 Å²	43	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.8	177.9	178	-83.8	0	0	0	110.5	F141 S170 M203 V204 D205 N206 A387 L391	F141-Y172 HydrophobicContact CD2-CD2 4.3Å; S170-Y172 PolarHBondContact O-N 3.16Å; Y172-M203 HydrophobicContact CD2-CE 3.35Å; Y172-M203 HydrophobicContact CE2-CE 3.93Å; Y172-M203 HydrophobicContact CG-CE 4.16Å; Y172-V204 PolarHBondContact N-O 3.44Å; Y172-D205 HydrophobicContact CD1-CB 4.14Å; Y172-N206 PolarHBondContact O-N 3.3Å; Y172-A387 HydrophobicContact CE2-CB 4.16Å; Y172-A387 PolarHBondContact OH-O 3.14Å; Y172-L391 HydrophobicContact CD2-CD1 4.04Å; Y172-L391 HydrophobicContact CE2-CD1 3.36Å; Y172-L391 HydrophobicContact CE2-CD2 3.97Å; Y172-L391 HydrophobicContact CE2-CG 3.51Å; Y172-L391 WeakPolarHBondContact OH-CG 3.43Å
173	P	86.1	Confident	87.1	Confident	9 Å²	9	41.3 Å²	41.3	6%	0.058	22%	0.222	C	C	.	.			trans	-75.1	137.1	-172.9	31.2	-36.6	0	0	0	112.5	E183 L391	P173-E183 HydrophobicContact CB-CB 4.06Å; P173-E183 WeakPolarHBondContact CB-OE2 3.42Å; P173-L391 HydrophobicContact CG-CD2 3.79Å
174	A	77.4	Confident	87.2	Confident	1 Å²	1	32 Å²	32	1%	0.008	18%	0.182	C	C	.	.			trans	-120.6	127.6	179.7	0	0	0	0	0	110.5	Q176 V177 S178 N206 E207	A174-Q176 PolarHBondContact O-N 3.3Å; A174-V177 CarbonylContact O-C 3Å; A174-V177 PolarHBondContact O-N 3.17Å; A174-S178 WeakPolarHBondContact O-CA 3.47Å; A174-S178 WeakPolarHBondContact O-CB 3.47Å; A174-S178 PolarHBondContact O-N 2.9Å; A174-N206 HydrophobicContact CB-CB 3.76Å; A174-E207 HydrophobicContact CB-CB 3.63Å; A174-E207 HydrophobicContact CB-CG 4.36Å
175	P	67.9	Low	87.3	Confident	81 Å²	81	28.4 Å²	28.4	53%	0.526	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.4	-177.4	-26.5	34.3	0	0	0	115	V177	P175-V177 VanDerWaalsContact C-N 3.34Å
176	Q	65.6	Low	87.5	Confident	120 Å²	120	28.1 Å²	28.1	56%	0.561	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.2	-176.6	-57.8	-179.3	16.5	0	0	113	A174 E207	A174-Q176 PolarHBondContact O-N 3.3Å; Q176-E207 PolarHBondContact NE2-OE1 3.4Å
177	V	68.5	Low	87.5	Confident	26 Å²	26	27.7 Å²	27.7	16%	0.158	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-4.6	-175.2	-163	0	0	0	0	111.3	A174 P175 N206 Y210 Y224	A174-V177 CarbonylContact O-C 3Å; A174-V177 PolarHBondContact O-N 3.17Å; P175-V177 VanDerWaalsContact C-N 3.34Å; V177-N206 HydrophobicContact CB-CB 4.47Å; V177-Y210 HydrophobicContact CG2-CD2 4.25Å; V177-Y224 HydrophobicContact CG1-CE1 3.71Å; V177-Y224 PolarHBondContact O-OH 3.03Å
178	S	71.6	Confident	87.5	Confident	42 Å²	42	27.5 Å²	27.5	29%	0.294	16%	0.162	S	C	.	.			trans	-67.8	128.2	-179.3	178.2	0	0	0	0	110.7	A174 A180 E183	A174-S178 WeakPolarHBondContact O-CA 3.47Å; A174-S178 WeakPolarHBondContact O-CB 3.47Å; A174-S178 PolarHBondContact O-N 2.9Å; S178-A180 PolarHBondContact OG-O 2.88Å; S178-E183 VanDerWaalsContact CB-OE2 3.26Å; S178-E183 WeakPolarHBondContact CB-OE2 3.46Å; S178-E183 PolarHBondContact OG-OE1 3.46Å; S178-E183 PolarHBondContact OG-OE2 3.4Å
179	T	74.5	Confident	87.6	Confident	115 Å²	115	27.6 Å²	27.6	71%	0.706	16%	0.162	S	C	*	.			trans	-99.2	-9.4	175.5	52.6	0	0	0	0	112.2	E183	T179-E183 PolarHBondContact N-OE1 3.15Å
180	A	85.7	Confident	87.6	Confident	8 Å²	8	27.2 Å²	27.2	7%	0.066	16%	0.161	C	C	.	.			trans	-129	129.2	-174.5	0	0	0	0	0	113.1	N101 S178 V182 E183	N101-A180 HydrophobicContact CB-CB 3.76Å; S178-A180 PolarHBondContact OG-O 2.88Å; A180-V182 PolarHBondContact O-N 3.42Å; A180-E183 HydrophobicContact CB-CG 3.77Å; A180-E183 PolarHBondContact N-OE1 3.46Å; A180-E183 WeakPolarHBondContact O-CG 3.32Å; A180-E183 PolarHBondContact O-N 3.14Å
181	V	91.3	Very high	87.7	Confident	102 Å²	102	27.2 Å²	27.2	62%	0.618	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.6	178.9	-179.7	0	0	0	0	111.9	E183 P184 F404	V181-E183 VanDerWaalsContact C-N 3.34Å; V181-E183 PolarHBondContact O-N 2.85Å; V181-P184 WeakPolarHBondContact O-CD 3.44Å; V181-F404 HydrophobicContact CG1-CE2 3.9Å; V181-F404 HydrophobicContact CG1-CZ 4.24Å
182	V	95.2	Very high	87.8	Confident	22 Å²	22	29.3 Å²	29.3	13%	0.133	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	8.6	-174.6	-60.4	0	0	0	0	113.9	N101 A180 P184 Y185 N186 F404 Y408	N101-V182 HydrophobicContact CB-CG2 4.29Å; N101-V182 WeakPolarHBondContact O-CG2 3.37Å; A180-V182 PolarHBondContact O-N 3.42Å; V182-P184 VanDerWaalsContact C-CD 3.41Å; V182-P184 VanDerWaalsContact C-N 3.31Å; V182-Y185 WeakPolarHBondContact O-CB 3.38Å; V182-Y185 PolarHBondContact O-N 2.83Å; V182-N186 PolarHBondContact O-N 3.31Å; V182-F404 HydrophobicContact CG1-CB 3.69Å; V182-F404 HydrophobicContact CG1-CD1 4.21Å; V182-F404 HydrophobicContact CG1-CD2 3.94Å; V182-F404 HydrophobicContact CG1-CG 3.68Å; V182-Y408 WeakPolarHBondContact CB-OH 3.22Å
183	E	94.4	Very high	88.1	Confident	17 Å²	17	30.4 Å²	30.4	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-53.8	-37.8	178.1	-71.2	177.6	-171.1	0	0	114.2	P173 S178 T179 A180 V181 Y185 N186 S187	P173-E183 HydrophobicContact CB-CB 4.06Å; P173-E183 WeakPolarHBondContact CB-OE2 3.42Å; S178-E183 VanDerWaalsContact CB-OE2 3.26Å; S178-E183 WeakPolarHBondContact CB-OE2 3.46Å; S178-E183 PolarHBondContact OG-OE1 3.46Å; S178-E183 PolarHBondContact OG-OE2 3.4Å; T179-E183 PolarHBondContact N-OE1 3.15Å; A180-E183 HydrophobicContact CB-CG 3.77Å; A180-E183 PolarHBondContact N-OE1 3.46Å; A180-E183 WeakPolarHBondContact O-CG 3.32Å; A180-E183 PolarHBondContact O-N 3.14Å; V181-E183 VanDerWaalsContact C-N 3.34Å; V181-E183 PolarHBondContact O-N 2.85Å; E183-Y185 VanDerWaalsContact C-N 3.32Å; E183-Y185 PolarHBondContact O-N 3.17Å; E183-N186 PolarHBondContact O-N 2.75Å; E183-S187 WeakPolarHBondContact O-CB 3.36Å; E183-S187 PolarHBondContact O-N 3.34Å; E183-S187 PolarHBondContact O-OG 2.91Å
184	P	95.7	Very high	88.6	Confident	13 Å²	13	30.1 Å²	30.1	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-39.1	175.4	-23.1	32.5	0	0	0	113	V181 V182 S187 I188 K394 M398	V181-P184 WeakPolarHBondContact O-CD 3.44Å; V182-P184 VanDerWaalsContact C-CD 3.41Å; V182-P184 VanDerWaalsContact C-N 3.31Å; P184-S187 PolarHBondContact O-N 3.1Å; P184-I188 VanDerWaalsContact O-CG1 3.29Å; P184-I188 WeakPolarHBondContact O-CG1 3.27Å; P184-I188 PolarHBondContact O-N 3.36Å; P184-I188 VanDerWaalsContact O-N 3.09Å; P184-K394 HydrophobicContact CB-CB 3.97Å; P184-K394 HydrophobicContact CG-CB 3.75Å; P184-K394 HydrophobicContact CG-CD 4.14Å; P184-M398 HydrophobicContact CB-CE 3.56Å; P184-M398 HydrophobicContact CG-CE 3.6Å
185	Y	97.5	Very high	89.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-50.2	175.1	-72.2	-15.5	0	0	0	111.9	V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418	V182-Y185 WeakPolarHBondContact O-CB 3.38Å; V182-Y185 PolarHBondContact O-N 2.83Å; E183-Y185 VanDerWaalsContact C-N 3.32Å; E183-Y185 PolarHBondContact O-N 3.17Å; Y185-S187 PolarHBondContact O-N 3.45Å; Y185-I188 PolarHBondContact O-N 2.79Å; Y185-L189 WeakPolarHBondContact O-CB 3.18Å; Y185-L189 WeakPolarHBondContact O-CG 3.48Å; Y185-L189 PolarHBondContact O-N 2.83Å; Y185-F395 AromaticContact CD1-CD2 3.41Å; Y185-F395 HydrophobicContact CD1-CD2 3.41Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.41Å; Y185-F395 AromaticContact CD1-CE2 3.54Å; Y185-F395 HydrophobicContact CD1-CE2 3.54Å; Y185-F395 HydrophobicContact CD1-CG 4.16Å; Y185-F395 HydrophobicContact CD1-CZ 4.39Å; Y185-F395 AromaticContact CE1-CD2 3.87Å; Y185-F395 HydrophobicContact CE1-CD2 3.87Å; Y185-F395 AromaticContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CG 4.24Å; Y185-F395 HydrophobicContact CE1-CZ 4.37Å; Y185-M398 HydrophobicContact CD1-CE 3.86Å; Y185-M398 HydrophobicContact CE1-CB 3.93Å; Y185-M398 HydrophobicContact CE1-CE 3.91Å; Y185-M398 HydrophobicContact CG-CE 4.23Å; Y185-M398 WeakPolarHBondContact OH-CB 3.41Å; Y185-M398 PolarHBondContact OH-O 2.98Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.41Å; Y185-Y399 PolarHBondContact OH-N 2.68Å; Y185-A403 WeakPolarHBondContact CE2-O 3.34Å; Y185-A403 PolarHBondContact OH-O 2.85Å; Y185-F404 HydrophobicContact CE2-CB 4.44Å; Y185-V405 HydrophobicContact CE2-CG2 4.27Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.44Å; Y185-Y408 AromaticContact CD2-CE2 3.79Å; Y185-Y408 HydrophobicContact CD2-CE2 3.79Å; Y185-F418 HydrophobicContact CD1-CD1 4.44Å; Y185-F418 HydrophobicContact CD1-CE1 4.13Å; Y185-F418 AromaticContact CD2-CE1 3.92Å; Y185-F418 HydrophobicContact CD2-CE1 3.92Å; Y185-F418 HydrophobicContact CE1-CE1 4.49Å; Y185-F418 HydrophobicContact CE2-CE1 4.29Å; Y185-F418 AromaticContact CG-CE1 3.82Å; Y185-F418 HydrophobicContact CG-CE1 3.82Å
186	N	97.3	Very high	90.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-39.2	178.6	-68.2	-24.7	0	0	0	112	N101 Y103 F141 G142 V182 E183 T190 Y408	N101-N186 PolarHBondContact O-ND2 2.98Å; Y103-N186 VanDerWaalsContact CB-OD1 3.26Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.28Å; Y103-N186 PolarHBondContact N-OD1 3.26Å; F141-N186 CarbonylContact O-C 3.43Å; F141-N186 VanDerWaalsContact O-CB 3.28Å; F141-N186 WeakPolarHBondContact O-CB 3.2Å; G142-N186 PolarHBondContact O-ND2 2.89Å; V182-N186 PolarHBondContact O-N 3.31Å; E183-N186 PolarHBondContact O-N 2.75Å; N186-T190 WeakPolarHBondContact O-CB 3.22Å; N186-T190 WeakPolarHBondContact O-CG2 3.34Å; N186-T190 PolarHBondContact O-N 2.93Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.26Å; N186-Y408 PolarHBondContact OD1-OH 3.27Å
187	S	96.4	Very high	92.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.3	-44	-178.1	-53.7	0	0	0	0	112.5	F141 E183 P184 Y185 T190 T191	F141-S187 WeakPolarHBondContact CB-OG 3.4Å; F141-S187 PolarHBondContact O-N 3.14Å; E183-S187 WeakPolarHBondContact O-CB 3.36Å; E183-S187 PolarHBondContact O-N 3.34Å; E183-S187 PolarHBondContact O-OG 2.91Å; P184-S187 PolarHBondContact O-N 3.1Å; Y185-S187 PolarHBondContact O-N 3.45Å; S187-T190 WeakPolarHBondContact O-CG2 3.41Å; S187-T191 VanDerWaalsContact O-CB 3.32Å; S187-T191 WeakPolarHBondContact O-CB 3.28Å; S187-T191 PolarHBondContact O-N 3.47Å; S187-T191 PolarHBondContact O-OG1 3.42Å
188	I	97.5	Very high	93.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-46.9	178.1	-64.3	-60.9	0	0	0	110.6	P184 Y185 T190 T191 H192 L391 D392 F395 A421 M425	P184-I188 VanDerWaalsContact O-CG1 3.29Å; P184-I188 WeakPolarHBondContact O-CG1 3.27Å; P184-I188 PolarHBondContact O-N 3.36Å; P184-I188 VanDerWaalsContact O-N 3.09Å; Y185-I188 PolarHBondContact O-N 2.79Å; I188-T190 PolarHBondContact O-N 3.4Å; I188-T191 PolarHBondContact O-N 3.22Å; I188-H192 WeakPolarHBondContact O-CB 3.4Å; I188-H192 PolarHBondContact O-N 3Å; I188-L391 HydrophobicContact CD1-CB 4.12Å; I188-D392 WeakPolarHBondContact CD1-OD1 3.43Å; I188-F395 HydrophobicContact CB-CD2 3.8Å; I188-F395 HydrophobicContact CB-CE2 4.07Å; I188-F395 HydrophobicContact CG1-CB 4.13Å; I188-F395 HydrophobicContact CG1-CD2 3.62Å; I188-F395 HydrophobicContact CG1-CE2 4.38Å; I188-F395 HydrophobicContact CG1-CG 4.12Å; I188-F395 HydrophobicContact CG2-CD2 4.02Å; I188-F395 HydrophobicContact CG2-CE2 3.94Å; I188-A421 HydrophobicContact CG2-CB 3.92Å; I188-M425 HydrophobicContact CD1-CB 4.42Å; I188-M425 HydrophobicContact CD1-CE 4.33Å; I188-M425 HydrophobicContact CD1-CG 3.86Å; I188-M425 HydrophobicContact CG2-CG 3.93Å
189	L	98.1	Very high	94.5	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-42.7	-179.3	-66.6	171	0	0	0	112.8	Y103 Y185 T193 Y408 M413 F418 A421	Y103-L189 HydrophobicContact CD1-CB 3.94Å; Y103-L189 HydrophobicContact CD1-CD1 3.77Å; Y103-L189 HydrophobicContact CD1-CG 4.43Å; Y103-L189 HydrophobicContact CD2-CB 3.85Å; Y103-L189 HydrophobicContact CE1-CB 4.05Å; Y103-L189 HydrophobicContact CE1-CD1 4.48Å; Y103-L189 HydrophobicContact CE2-CB 3.96Å; Y103-L189 HydrophobicContact CG-CB 3.86Å; Y103-L189 HydrophobicContact CG-CD1 3.91Å; Y185-L189 WeakPolarHBondContact O-CB 3.18Å; Y185-L189 WeakPolarHBondContact O-CG 3.48Å; Y185-L189 PolarHBondContact O-N 2.83Å; L189-T193 PolarHBondContact O-N 2.78Å; L189-T193 PolarHBondContact O-OG1 2.99Å; L189-Y408 HydrophobicContact CD1-CD1 4.06Å; L189-Y408 HydrophobicContact CD1-CE1 3.97Å; L189-M413 HydrophobicContact CD1-CE 3.61Å; L189-M413 HydrophobicContact CD1-SD 3.96Å; L189-M413 HydrophobicContact CD2-CE 3.33Å; L189-M413 HydrophobicContact CG-CE 4.1Å; L189-F418 HydrophobicContact CD1-CD1 4.48Å; L189-F418 HydrophobicContact CD1-CE1 3.95Å; L189-F418 HydrophobicContact CD1-CZ 4.23Å; L189-F418 HydrophobicContact CD2-CD1 4.45Å; L189-A421 HydrophobicContact CD2-CB 3.87Å
190	T	97.8	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.4	-35.3	178.2	-166	0	0	0	0	112.6	F141 S147 S151 N186 S187 I188 T193 T194	F141-T190 HydrophobicContact CB-CG2 4.41Å; F141-T190 HydrophobicContact CD1-CG2 3.48Å; F141-T190 VanDerWaalsContact CD1-CG2 3.48Å; F141-T190 HydrophobicContact CE1-CG2 4.11Å; F141-T190 HydrophobicContact CG-CG2 4.3Å; S147-T190 PolarHBondContact O-OG1 3.11Å; S147-T190 VanDerWaalsContact O-OG1 3.11Å; S151-T190 WeakPolarHBondContact OG-CA 3.43Å; S151-T190 PolarHBondContact OG-OG1 3.4Å; N186-T190 WeakPolarHBondContact O-CB 3.22Å; N186-T190 WeakPolarHBondContact O-CG2 3.34Å; N186-T190 PolarHBondContact O-N 2.93Å; S187-T190 WeakPolarHBondContact O-CG2 3.41Å; I188-T190 PolarHBondContact O-N 3.4Å; T190-T193 PolarHBondContact O-OG1 2.72Å; T190-T194 VanDerWaalsContact O-CB 3.31Å; T190-T194 WeakPolarHBondContact O-CB 3.39Å; T190-T194 VanDerWaalsContact O-CG2 3.29Å; T190-T194 WeakPolarHBondContact O-CG2 3.28Å; T190-T194 PolarHBondContact O-N 2.9Å; T190-T194 PolarHBondContact O-OG1 2.93Å
191	T	97.3	Very high	95.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-50.7	176.7	-56.1	0	0	0	0	109.9	S187 I188 T193 T194 L195 F267 W388 M425	S187-T191 VanDerWaalsContact O-CB 3.32Å; S187-T191 WeakPolarHBondContact O-CB 3.28Å; S187-T191 PolarHBondContact O-N 3.47Å; S187-T191 PolarHBondContact O-OG1 3.42Å; I188-T191 PolarHBondContact O-N 3.22Å; T191-T193 PolarHBondContact O-N 3.29Å; T191-T194 PolarHBondContact O-N 3.4Å; T191-T194 PolarHBondContact O-OG1 3.12Å; T191-L195 WeakPolarHBondContact O-CB 3.43Å; T191-L195 PolarHBondContact O-N 3.48Å; T191-F267 HydrophobicContact CG2-CZ 4.11Å; T191-W388 HydrophobicContact CG2-CH2 3.58Å; T191-W388 HydrophobicContact CG2-CZ2 4.28Å; T191-W388 HydrophobicContact CG2-CZ3 3.81Å; T191-W388 WeakPolarHBondContact OG1-CZ3 3.5Å; T191-M425 HydrophobicContact CG2-CE 3.98Å; T191-M425 HydrophobicContact CG2-SD 3.52Å; T191-M425 VanDerWaalsContact CG2-SD 3.52Å
192	H	97.2	Very high	96.1	Very high	52 Å²	52	19.1 Å²	19.1	24%	0.241	10%	0.096	C	C	.	.	H	α-helix	trans	-51.5	-54.3	176.6	171.4	56	0	0	0	112.5	I188 T194 L195 A421 D424	I188-H192 WeakPolarHBondContact O-CB 3.4Å; I188-H192 PolarHBondContact O-N 3Å; H192-T194 PolarHBondContact O-N 2.83Å; H192-L195 PolarHBondContact O-N 3.21Å; H192-A421 HydrophobicContact CB-CB 3.61Å; H192-D424 IonicContact CE1-OD2 2.74Å; H192-D424 IonicContact CG-OD2 2.64Å; H192-D424 WeakPolarHBondContact ND1-CB 3.42Å; H192-D424 IonicContact ND1-OD2 3.91Å; H192-D424 PolarHBondContact ND1-OD2 3.28Å
193	T	96.4	Very high	96	Very high	26 Å²	26	18 Å²	18	16%	0.16	9%	0.09	C	C	.	.	H	α-helix	trans	-71.4	-27.8	-176.5	48.8	0	0	0	0	114.1	Y103 S151 L189 T190 T191 H197	Y103-T193 VanDerWaalsContact OH-CG2 3.31Å; Y103-T193 WeakPolarHBondContact OH-CG2 3.46Å; Y103-T193 PolarHBondContact OH-OG1 2.95Å; Y103-T193 VanDerWaalsContact OH-OG1 3.14Å; S151-T193 WeakPolarHBondContact CB-OG1 3.28Å; S151-T193 PolarHBondContact OG-OG1 3.47Å; L189-T193 PolarHBondContact O-N 2.78Å; L189-T193 PolarHBondContact O-OG1 2.99Å; T190-T193 PolarHBondContact O-OG1 2.72Å; T191-T193 PolarHBondContact O-N 3.29Å; T193-H197 PolarHBondContact O-CD2 3.13Å; T193-H197 VanDerWaalsContact O-CD2 3.26Å
194	T	97.2	Very high	95.8	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-91.1	-12	179.4	60.2	0	0	0	0	113.8	M154 T190 T191 H192 E196 H197 S198	M154-T194 HydrophobicContact CB-CG2 4.19Å; M154-T194 HydrophobicContact CG-CG2 4.12Å; T190-T194 VanDerWaalsContact O-CB 3.31Å; T190-T194 WeakPolarHBondContact O-CB 3.39Å; T190-T194 VanDerWaalsContact O-CG2 3.29Å; T190-T194 WeakPolarHBondContact O-CG2 3.28Å; T190-T194 PolarHBondContact O-N 2.9Å; T190-T194 PolarHBondContact O-OG1 2.93Å; T191-T194 PolarHBondContact O-N 3.4Å; T191-T194 PolarHBondContact O-OG1 3.12Å; H192-T194 PolarHBondContact O-N 2.83Å; T194-E196 VanDerWaalsContact C-N 3.3Å; T194-E196 PolarHBondContact O-N 3.49Å; T194-H197 CarbonylContact O-C 3.55Å; T194-H197 PolarHBondContact O-N 3.48Å; T194-S198 WeakPolarHBondContact O-CB 3.43Å; T194-S198 PolarHBondContact O-N 2.93Å
195	L	95.3	Very high	95.6	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-58.8	-39.5	-174.4	-163	68.9	0	0	0	112.3	T191 H192 H197 R264 H266 F267 L428	T191-L195 WeakPolarHBondContact O-CB 3.43Å; T191-L195 PolarHBondContact O-N 3.48Å; H192-L195 PolarHBondContact O-N 3.21Å; L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 3.09Å; L195-R264 VanDerWaalsContact CD2-NH1 3.33Å; L195-H266 PolarHBondContact O-CE1 3.07Å; L195-F267 HydrophobicContact CD1-CE2 3.64Å; L195-F267 HydrophobicContact CD1-CZ 3.7Å; L195-L428 HydrophobicContact CD1-CD2 4.37Å
196	E	93.9	Very high	95.1	Very high	171 Å²	171	18.2 Å²	18.2	80%	0.799	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.9	178.8	-59.8	-169.3	162.9	0	0	113.7	T194	T194-E196 VanDerWaalsContact C-N 3.3Å; T194-E196 PolarHBondContact O-N 3.49Å
197	H	96.1	Very high	94.8	Very high	42 Å²	42	20 Å²	20	19%	0.194	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-8.8	-173	-62	-33.6	0	0	0	113.1	M154 E155 S158 K166 T193 T194 L195	M154-H197 HydrophobicContact CB-CB 3.98Å; M154-H197 HydrophobicContact CE-CB 4.26Å; M154-H197 WeakPolarHBondContact CE-O 3.22Å; E155-H197 WeakPolarHBondContact CG-NE2 3.24Å; S158-H197 WeakPolarHBondContact OG-CB 3.44Å; S158-H197 PolarHBondContact OG-ND1 3.19Å; K166-H197 WeakPolarHBondContact CD-O 3.4Å; K166-H197 WeakPolarHBondContact CE-O 3.34Å; T193-H197 PolarHBondContact O-CD2 3.13Å; T193-H197 VanDerWaalsContact O-CD2 3.26Å; T194-H197 CarbonylContact O-C 3.55Å; T194-H197 PolarHBondContact O-N 3.48Å; L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 3.09Å
198	S	94.9	Very high	94.5	Very high	9 Å²	9	20.3 Å²	20.3	6%	0.063	10%	0.101	C	C	.	.			trans	-102	133.1	-178.9	-171.9	0	0	0	0	111	Q168 T194	Q168-S198 PolarHBondContact NE2-OG 3.11Å; T194-S198 WeakPolarHBondContact O-CB 3.43Å; T194-S198 PolarHBondContact O-N 2.93Å
199	D	94.6	Very high	94.3	Very high	32 Å²	32	20.3 Å²	20.3	17%	0.171	10%	0.101	C	C	.	.	S	Bend	trans	-86.4	-31.6	174.1	-64.6	-71.1	0	0	0	111.7	S165 K166 Q256	S165-D199 VanDerWaalsContact CA-OD2 3.23Å; S165-D199 WeakPolarHBondContact CA-OD2 3.23Å; K166-D199 PolarHBondContact N-OD2 3.36Å; K166-D199 IonicContact NZ-OD2 2.8Å; K166-D199 PolarHBondContact O-N 2.92Å; D199-Q256 PolarHBondContact OD1-NE2 3.28Å; D199-Q256 VanDerWaalsContact OD1-NE2 3.12Å
200	C	94.6	Very high	93.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	132.4	177.3	171.5	0	0	0	0	110.5	L167 Q168 V260 H266 P268	L167-C200 CarbonylContact C-O 3.44Å; L167-C200 VanDerWaalsContact CA-O 3.24Å; L167-C200 WeakPolarHBondContact CA-O 3.46Å; L167-C200 HydrophobicContact CD2-CB 3.5Å; L167-C200 VanDerWaalsContact CD2-CB 3.5Å; L167-C200 HydrophobicContact CG-CB 4.45Å; Q168-C200 PolarHBondContact N-O 3.29Å; C200-V260 HydrophobicContact CB-CG2 4.03Å; C200-H266 WeakPolarHBondContact CA-O 3.22Å; C200-P268 VanDerWaalsContact SG-CG 3.59Å
201	A	95.4	Very high	93.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.6	-176.7	0	0	0	0	0	111.2	Q168 M203 H266 F267	Q168-A201 HydrophobicContact CB-CB 3.93Å; A201-M203 PolarHBondContact O-N 2.97Å; A201-H266 PolarHBondContact N-O 2.89Å; A201-F267 HydrophobicContact CB-CD1 3.67Å; A201-F267 HydrophobicContact CB-CE1 3.71Å; A201-F267 WeakPolarHBondContact O-CA 3.21Å
202	F	94.8	Very high	93.5	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111.1	174.4	-57	-70.4	0	0	0	109.5	L167 Q168 F169 S170 I238 F255 L259 P268 L378	L167-F202 HydrophobicContact CD2-CE2 3.66Å; L167-F202 HydrophobicContact CD2-CZ 4.08Å; Q168-F202 PolarHBondContact O-N 2.86Å; F169-F202 HydrophobicContact CD1-CB 3.91Å; F169-F202 AromaticContact CD1-CD2 3.95Å; F169-F202 HydrophobicContact CD1-CD2 3.95Å; F169-F202 HydrophobicContact CD1-CG 4.32Å; F169-F202 HydrophobicContact CE1-CB 4.14Å; F169-F202 AromaticContact CE1-CD2 3.5Å; F169-F202 HydrophobicContact CE1-CD2 3.5Å; F169-F202 HydrophobicContact CE1-CE2 4.22Å; F169-F202 HydrophobicContact CE1-CG 4.07Å; F169-F202 HydrophobicContact CE2-CD2 4.44Å; F169-F202 AromaticContact CZ-CD2 3.79Å; F169-F202 HydrophobicContact CZ-CD2 3.79Å; F169-F202 HydrophobicContact CZ-CE2 4.14Å; S170-F202 PolarHBondContact N-O 3.35Å; F202-I238 HydrophobicContact CD1-CD1 4.48Å; F202-I238 HydrophobicContact CE2-CG2 4.05Å; F202-I238 HydrophobicContact CG-CD1 4.43Å; F202-I238 HydrophobicContact CZ-CG2 4.12Å; F202-F255 HydrophobicContact CZ-CD1 4.24Å; F202-L259 HydrophobicContact CE1-CD1 4.28Å; F202-P268 HydrophobicContact CD1-CB 4.22Å; F202-P268 HydrophobicContact CD1-CG 4.35Å; F202-P268 HydrophobicContact CE1-CB 4.13Å; F202-P268 HydrophobicContact CE1-CG 4.04Å; F202-L378 HydrophobicContact CD1-CD2 4.03Å; F202-L378 HydrophobicContact CE1-CD1 3.85Å; F202-L378 HydrophobicContact CE1-CD2 3.82Å; F202-L378 HydrophobicContact CE1-CG 4.32Å; F202-L378 HydrophobicContact CZ-CD1 4.16Å
203	M	92.9	Very high	93.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.7	176	-67.7	173.8	73.1	0	0	110.8	F141 Y172 A201 F267 V303 I384 A387 W388	F141-M203 HydrophobicContact CE2-CE 4.18Å; F141-M203 HydrophobicContact CE2-CG 4.34Å; Y172-M203 HydrophobicContact CD2-CE 3.35Å; Y172-M203 HydrophobicContact CE2-CE 3.93Å; Y172-M203 HydrophobicContact CG-CE 4.16Å; A201-M203 PolarHBondContact O-N 2.97Å; M203-F267 HydrophobicContact CG-CD1 4.13Å; M203-F267 HydrophobicContact SD-CB 4.16Å; M203-F267 HydrophobicContact SD-CD1 3.96Å; M203-F267 HydrophobicContact SD-CG 4.32Å; M203-V303 HydrophobicContact CB-CG2 3.77Å; M203-V303 WeakPolarHBondContact O-CG2 3.16Å; M203-I384 HydrophobicContact SD-CD1 3.64Å; M203-I384 HydrophobicContact SD-CG1 4.14Å; M203-A387 HydrophobicContact CE-CB 4.36Å; M203-W388 HydrophobicContact CE-CH2 3.9Å; M203-W388 HydrophobicContact CE-CZ2 3.78Å; M203-W388 HydrophobicContact CE-CZ3 4.36Å; M203-W388 HydrophobicContact SD-CH2 4.03Å; M203-W388 HydrophobicContact SD-CZ2 3.45Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.44Å
204	V	91.1	Very high	93	Very high	10 Å²	10	23.8 Å²	23.8	6%	0.061	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	101	-176.7	-178.7	0	0	0	0	108.5	S170 V171 Y172 I209 I231	S170-V204 PolarHBondContact O-N 2.9Å; V171-V204 CarbonylContact C-O 3.58Å; V171-V204 WeakPolarHBondContact CA-O 3.44Å; Y172-V204 PolarHBondContact N-O 3.44Å; V204-I209 HydrophobicContact CG1-CD1 3.17Å; V204-I209 HydrophobicContact CG1-CG1 4.43Å; V204-I231 HydrophobicContact CG1-CD1 3.76Å; V204-I231 HydrophobicContact CG1-CG1 3.79Å
205	D	91.8	Very high	92.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.8	-178.3	-173.7	-9.2	0	0	0	110.8	Y172 E207 A208 I209 M302 V303 K304	Y172-D205 HydrophobicContact CD1-CB 4.14Å; D205-E207 PolarHBondContact O-N 2.83Å; D205-E207 WeakPolarHBondContact OD1-CB 3.4Å; D205-E207 PolarHBondContact OD1-N 2.99Å; D205-A208 HydrophobicContact CB-CB 3.97Å; D205-A208 PolarHBondContact O-N 3.48Å; D205-I209 WeakPolarHBondContact O-CG1 3.43Å; D205-I209 PolarHBondContact O-N 3.44Å; D205-I209 VanDerWaalsContact O-N 3.13Å; D205-M302 WeakPolarHBondContact CA-O 3.33Å; D205-M302 WeakPolarHBondContact CB-O 3.39Å; D205-M302 PolarHBondContact N-O 2.91Å; D205-V303 HydrophobicContact CB-CB 4.38Å; D205-V303 HydrophobicContact CB-CG1 4.42Å; D205-V303 HydrophobicContact CB-CG2 4.42Å; D205-K304 PolarHBondContact OD2-N 2.91Å
206	N	87.1	Confident	92.5	Very high	21 Å²	21	30.2 Å²	30.2	11%	0.112	15%	0.145	C	C	.	.	H	α-helix	trans	-57.3	-33.3	176.7	-82	-25.4	0	0	0	112.4	V171 Y172 A174 V177 Y210	V171-N206 VanDerWaalsContact CG1-ND2 3.3Å; V171-N206 WeakPolarHBondContact CG1-ND2 3.26Å; V171-N206 WeakPolarHBondContact CG1-OD1 3.46Å; Y172-N206 PolarHBondContact O-N 3.3Å; A174-N206 HydrophobicContact CB-CB 3.76Å; V177-N206 HydrophobicContact CB-CB 4.47Å; N206-Y210 WeakPolarHBondContact O-CB 3.33Å; N206-Y210 PolarHBondContact O-N 2.96Å
207	E	89.6	Confident	92.3	Very high	38 Å²	38	22.6 Å²	22.6	18%	0.178	11%	0.11	C	C	.	.	H	α-helix	trans	-69.9	-42.8	179.9	-150.7	178.3	138.6	0	0	111.2	A174 Q176 D205 Y210 D211 K304	A174-E207 HydrophobicContact CB-CB 3.63Å; A174-E207 HydrophobicContact CB-CG 4.36Å; Q176-E207 PolarHBondContact NE2-OE1 3.4Å; D205-E207 PolarHBondContact O-N 2.83Å; D205-E207 WeakPolarHBondContact OD1-CB 3.4Å; D205-E207 PolarHBondContact OD1-N 2.99Å; E207-Y210 PolarHBondContact O-N 3.35Å; E207-D211 PolarHBondContact O-N 2.96Å; E207-K304 HydrophobicContact CB-CD 4.25Å; E207-K304 HydrophobicContact CG-CD 4.27Å; E207-K304 IonicContact OE1-NZ 2.75Å; E207-K304 PolarHBondContact OE1-NZ 3.3Å
208	A	91.8	Very high	92	Very high	6 Å²	6	24.5 Å²	24.5	5%	0.05	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-44.7	179.4	0	0	0	0	0	111.2	D205 D211 I212 Q301 K304	D205-A208 HydrophobicContact CB-CB 3.97Å; D205-A208 PolarHBondContact O-N 3.48Å; A208-D211 PolarHBondContact O-N 3.13Å; A208-I212 VanDerWaalsContact O-CG1 3.28Å; A208-I212 WeakPolarHBondContact O-CG1 3.39Å; A208-I212 PolarHBondContact O-N 3.2Å; A208-Q301 WeakPolarHBondContact CB-O 3.24Å; A208-K304 HydrophobicContact CB-CG 4.07Å
209	I	91.9	Very high	91.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-38	178.2	-60.6	170.8	0	0	0	110.9	V204 D205 D211 I212 C213 L227 L230 I231 M302	V204-I209 HydrophobicContact CG1-CD1 3.17Å; V204-I209 HydrophobicContact CG1-CG1 4.43Å; D205-I209 WeakPolarHBondContact O-CG1 3.43Å; D205-I209 PolarHBondContact O-N 3.44Å; D205-I209 VanDerWaalsContact O-N 3.13Å; I209-D211 VanDerWaalsContact C-N 3.34Å; I209-I212 PolarHBondContact O-N 2.86Å; I209-C213 WeakPolarHBondContact O-CB 3.39Å; I209-C213 PolarHBondContact O-N 2.85Å; I209-C213 PolarHBondContact O-SG 2.76Å; I209-L227 HydrophobicContact CB-CD2 3.8Å; I209-L227 HydrophobicContact CG2-CB 4.14Å; I209-L227 HydrophobicContact CG2-CD2 3.36Å; I209-L227 HydrophobicContact CG2-CG 4.35Å; I209-L230 HydrophobicContact CG2-CB 4.24Å; I209-L230 HydrophobicContact CG2-CD2 3.8Å; I209-L230 HydrophobicContact CG2-CG 4.3Å; I209-I231 HydrophobicContact CD1-CD1 3.7Å; I209-I231 HydrophobicContact CD1-CG1 3.41Å; I209-I231 VanDerWaalsContact CD1-CG1 3.41Å; I209-M302 HydrophobicContact CG1-SD 3.95Å
210	Y	91.2	Very high	91.5	Very high	54 Å²	54	32.5 Å²	32.5	21%	0.212	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-46	175.2	-171.7	-82.7	0	0	0	111.1	V177 N206 E207 C213 C214 P222	V177-Y210 HydrophobicContact CG2-CD2 4.25Å; N206-Y210 WeakPolarHBondContact O-CB 3.33Å; N206-Y210 PolarHBondContact O-N 2.96Å; E207-Y210 PolarHBondContact O-N 3.35Å; Y210-C213 PolarHBondContact O-N 3.24Å; Y210-C214 WeakPolarHBondContact CE1-SG 3.33Å; Y210-C214 PolarHBondContact O-N 2.75Å; Y210-C214 PolarHBondContact O-SG 3.25Å; Y210-P222 HydrophobicContact CD2-CB 3.93Å; Y210-P222 HydrophobicContact CD2-CG 4.01Å; Y210-P222 HydrophobicContact CE2-CB 4.01Å; Y210-P222 HydrophobicContact CE2-CG 3.97Å; Y210-P222 HydrophobicContact CG-CG 4.33Å; Y210-P222 VanDerWaalsContact CZ-CD 3.5Å
211	D	92.1	Very high	91.2	Very high	60 Å²	60	42.7 Å²	42.7	32%	0.321	20%	0.196	S	C	.	.	H	α-helix	trans	-64.4	-40.8	177.4	-74.4	-8	0	0	0	112.3	E207 A208 I209 C214 R215 K304	E207-D211 PolarHBondContact O-N 2.96Å; A208-D211 PolarHBondContact O-N 3.13Å; I209-D211 VanDerWaalsContact C-N 3.34Å; D211-C214 PolarHBondContact O-N 2.64Å; D211-R215 WeakPolarHBondContact O-CB 3.43Å; D211-R215 PolarHBondContact O-N 2.82Å; D211-K304 WeakPolarHBondContact OD2-CE 3.17Å; D211-K304 IonicContact OD2-NZ 3.61Å; D211-K304 PolarHBondContact OD2-NZ 2.81Å
212	I	93.1	Very high	91	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-45	174.7	-69.4	165.5	0	0	0	110.5	A208 I209 C214 R215 N216 L230 V275 A299 M302	A208-I212 VanDerWaalsContact O-CG1 3.28Å; A208-I212 WeakPolarHBondContact O-CG1 3.39Å; A208-I212 PolarHBondContact O-N 3.2Å; I209-I212 PolarHBondContact O-N 2.86Å; I212-C214 PolarHBondContact O-N 3.36Å; I212-R215 PolarHBondContact O-N 3.36Å; I212-N216 HydrophobicContact CG2-CB 4.45Å; I212-N216 VanDerWaalsContact O-CB 3.3Å; I212-N216 WeakPolarHBondContact O-CB 3.4Å; I212-N216 PolarHBondContact O-N 2.78Å; I212-L230 HydrophobicContact CB-CD2 4.23Å; I212-L230 HydrophobicContact CG2-CD2 3.66Å; I212-V275 HydrophobicContact CG2-CB 4.18Å; I212-V275 HydrophobicContact CG2-CG1 3.74Å; I212-V275 HydrophobicContact CG2-CG2 4.15Å; I212-A299 WeakPolarHBondContact CG1-O 3.31Å; I212-M302 HydrophobicContact CD1-CE 4.06Å; I212-M302 HydrophobicContact CD1-SD 4.02Å
213	C	92	Very high	90.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-44.4	176.7	-66.4	0	0	0	0	111.6	I209 Y210 L217 D218 I219 P222	I209-C213 WeakPolarHBondContact O-CB 3.39Å; I209-C213 PolarHBondContact O-N 2.85Å; I209-C213 PolarHBondContact O-SG 2.76Å; Y210-C213 PolarHBondContact O-N 3.24Å; C213-L217 HydrophobicContact CB-CD1 4.45Å; C213-L217 WeakPolarHBondContact O-CA 3.19Å; C213-L217 VanDerWaalsContact O-CB 3.31Å; C213-L217 WeakPolarHBondContact O-CB 3.39Å; C213-L217 PolarHBondContact O-N 2.77Å; C213-D218 PolarHBondContact O-N 2.82Å; C213-I219 PolarHBondContact O-N 2.8Å; C213-P222 HydrophobicContact CB-CB 3.79Å; C213-P222 HydrophobicContact CB-CG 3.42Å; C213-P222 VanDerWaalsContact CB-CG 3.42Å
214	C	91.4	Very high	90.6	Very high	40 Å²	40	50.2 Å²	50.2	27%	0.27	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-46.6	178.1	-67.8	0	0	0	0	112.3	Y210 D211 I212 I219 P222	Y210-C214 WeakPolarHBondContact CE1-SG 3.33Å; Y210-C214 PolarHBondContact O-N 2.75Å; Y210-C214 PolarHBondContact O-SG 3.25Å; D211-C214 PolarHBondContact O-N 2.64Å; I212-C214 PolarHBondContact O-N 3.36Å; C214-I219 WeakPolarHBondContact CA-O 3.22Å; C214-I219 PolarHBondContact SG-O 2.93Å; C214-P222 VanDerWaalsContact SG-CD 3.51Å
215	R	92.3	Very high	90.6	Very high	118 Å²	118	57.2 Å²	57.2	45%	0.445	26%	0.261	S	S	.	.	H	α-helix	trans	-82.1	-43.2	-170.8	-177.7	177.2	59.5	100.5	9	113.5	D211 I212 A299 N300	D211-R215 WeakPolarHBondContact O-CB 3.43Å; D211-R215 PolarHBondContact O-N 2.82Å; I212-R215 PolarHBondContact O-N 3.36Å; R215-A299 PolarHBondContact NH2-O 2.86Å; R215-N300 PolarHBondContact NH2-OD1 2.78Å
216	N	90.6	Very high	90.6	Very high	29 Å²	29	58.1 Å²	58.1	16%	0.155	27%	0.266	C	S	.	.	H	α-helix	trans	-97.9	-29.8	-170.7	-69.2	47.7	0	0	0	113	I212 V275 S277	I212-N216 HydrophobicContact CG2-CB 4.45Å; I212-N216 VanDerWaalsContact O-CB 3.3Å; I212-N216 WeakPolarHBondContact O-CB 3.4Å; I212-N216 PolarHBondContact O-N 2.78Å; N216-V275 HydrophobicContact CB-CB 4.2Å; N216-V275 HydrophobicContact CB-CG1 3.82Å; N216-V275 WeakPolarHBondContact CB-O 2.78Å; N216-V275 PolarHBondContact ND2-O 3.45Å; N216-S277 PolarHBondContact O-N 2.97Å
217	L	89.6	Confident	90.8	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.052	26%	0.261	C	S	.	.	S	Bend	trans	-100.2	-3	-179.5	-51.8	178.9	0	0	0	112.7	C213 I219 V275 D367 L368	C213-L217 HydrophobicContact CB-CD1 4.45Å; C213-L217 WeakPolarHBondContact O-CA 3.19Å; C213-L217 VanDerWaalsContact O-CB 3.31Å; C213-L217 WeakPolarHBondContact O-CB 3.39Å; C213-L217 PolarHBondContact O-N 2.77Å; L217-I219 HydrophobicContact CB-CD1 3.79Å; L217-I219 HydrophobicContact CB-CG1 3.85Å; L217-I219 HydrophobicContact CD1-CD1 4.15Å; L217-I219 PolarHBondContact O-N 3.47Å; L217-V275 HydrophobicContact CD1-CG1 4.47Å; L217-V275 HydrophobicContact CD2-CG1 3.69Å; L217-V275 HydrophobicContact CG-CG1 4.04Å; L217-D367 HydrophobicContact CD1-CB 4.06Å; L217-L368 HydrophobicContact CD2-CD2 3.76Å; L217-L368 HydrophobicContact CD2-CG 4.48Å
218	D	89.7	Confident	91	Very high	82 Å²	82	56.1 Å²	56.1	44%	0.439	26%	0.256	S	S	.	.			trans	56.7	33.1	-177.8	-49.7	-69.6	0	0	0	113.3	C213 K280	C213-D218 PolarHBondContact O-N 2.82Å; D218-K280 IonicContact OD1-NZ 3.66Å; D218-K280 PolarHBondContact OD1-NZ 3.11Å; D218-K280 WeakPolarHBondContact OD2-CE 3.19Å; D218-K280 IonicContact OD2-NZ 3.5Å; D218-K280 PolarHBondContact OD2-NZ 3.31Å
219	I	89.7	Confident	91.2	Very high	30 Å²	30	56.7 Å²	56.7	15%	0.154	26%	0.257	C	S	.	.			trans	-94.5	108	179.2	-55.4	173	0	0	0	108.9	C213 C214 L217 R221 P222 N226 D367	C213-I219 PolarHBondContact O-N 2.8Å; C214-I219 WeakPolarHBondContact CA-O 3.22Å; C214-I219 PolarHBondContact SG-O 2.93Å; L217-I219 HydrophobicContact CB-CD1 3.79Å; L217-I219 HydrophobicContact CB-CG1 3.85Å; L217-I219 HydrophobicContact CD1-CD1 4.15Å; L217-I219 PolarHBondContact O-N 3.47Å; I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.16Å; I219-P222 HydrophobicContact CB-CG 4.3Å; I219-P222 HydrophobicContact CG2-CB 4.44Å; I219-P222 HydrophobicContact CG2-CG 4.1Å; I219-P222 WeakPolarHBondContact O-CD 3.37Å; I219-N226 HydrophobicContact CD1-CB 4.21Å; I219-D367 HydrophobicContact CD1-CB 3.97Å
220	E	88.4	Confident	91.3	Very high	179 Å²	179	56.8 Å²	56.8	84%	0.836	26%	0.257	S	S	*	.	S	Bend	trans	-60.2	-35.9	-177.7	-70	-173.6	165.9	0	0	114.2
221	R	89.2	Confident	91.4	Very high	215 Å²	215	54.3 Å²	54.3	81%	0.811	25%	0.248	S	C	*	.	S	Bend	trans	-137.3	82.2	-178.9	-65.4	-175	-177	-179.5	1.4	111	I219 S223	I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.16Å; R221-S223 PolarHBondContact O-N 3Å
222	P	90.2	Very high	91.6	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.084	23%	0.233	C	C	.	.			trans	-55.9	129.5	176.4	-25.5	33.3	0	0	0	112.4	Y210 C213 C214 I219 N226	Y210-P222 HydrophobicContact CD2-CB 3.93Å; Y210-P222 HydrophobicContact CD2-CG 4.01Å; Y210-P222 HydrophobicContact CE2-CB 4.01Å; Y210-P222 HydrophobicContact CE2-CG 3.97Å; Y210-P222 HydrophobicContact CG-CG 4.33Å; Y210-P222 VanDerWaalsContact CZ-CD 3.5Å; C213-P222 HydrophobicContact CB-CB 3.79Å; C213-P222 HydrophobicContact CB-CG 3.42Å; C213-P222 VanDerWaalsContact CB-CG 3.42Å; C214-P222 VanDerWaalsContact SG-CD 3.51Å; I219-P222 HydrophobicContact CB-CG 4.3Å; I219-P222 HydrophobicContact CG2-CB 4.44Å; I219-P222 HydrophobicContact CG2-CG 4.1Å; I219-P222 WeakPolarHBondContact O-CD 3.37Å; P222-N226 HydrophobicContact CB-CB 4.41Å
223	S	91.1	Very high	91.7	Very high	56 Å²	56	51.7 Å²	51.7	39%	0.392	23%	0.234	S	C	.	.			trans	-88.7	166.5	169.8	70.3	0	0	0	0	111.1	R221 R225 N226 L227	R221-S223 PolarHBondContact O-N 3Å; S223-R225 PolarHBondContact O-N 3.47Å; S223-R225 VanDerWaalsContact O-N 3.12Å; S223-R225 PolarHBondContact OG-N 2.82Å; S223-N226 PolarHBondContact N-OD1 2.93Å; S223-N226 WeakPolarHBondContact O-CB 3.38Å; S223-N226 PolarHBondContact O-N 3.48Å; S223-N226 PolarHBondContact OG-OD1 3.22Å; S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.09Å
224	Y	88.9	Confident	91.8	Very high	90 Å²	90	52 Å²	52	35%	0.353	24%	0.235	S	C	.	.	H	α-helix	trans	-55	-29.8	171.6	-71.5	-64.3	0	0	0	113.1	V177 N226 L227 N228	V177-Y224 HydrophobicContact CG1-CE1 3.71Å; V177-Y224 PolarHBondContact O-OH 3.03Å; Y224-N226 VanDerWaalsContact C-N 3.35Å; Y224-N226 PolarHBondContact O-N 2.9Å; Y224-L227 HydrophobicContact CD1-CD1 4.03Å; Y224-L227 HydrophobicContact CE1-CD1 4.5Å; Y224-L227 PolarHBondContact O-N 2.71Å; Y224-N228 WeakPolarHBondContact O-CB 3.42Å; Y224-N228 PolarHBondContact O-N 3.46Å; Y224-N228 PolarHBondContact O-ND2 3.46Å; Y224-N228 PolarHBondContact O-OD1 3.35Å
225	R	91.2	Very high	91.9	Very high	158 Å²	158	50.1 Å²	50.1	60%	0.596	22%	0.223	S	C	*	.	H	α-helix	trans	-64.2	-39.8	174.5	-174.3	180	-180	-178.4	0.2	112.1	S223 R229	S223-R225 PolarHBondContact O-N 3.47Å; S223-R225 VanDerWaalsContact O-N 3.12Å; S223-R225 PolarHBondContact OG-N 2.82Å; R225-R229 WeakPolarHBondContact O-CB 3.38Å; R225-R229 VanDerWaalsContact O-CG 3.29Å; R225-R229 WeakPolarHBondContact O-CG 3.26Å; R225-R229 PolarHBondContact O-N 2.8Å; R225-R229 VanDerWaalsContact O-N 3.14Å
226	N	91.3	Very high	92	Very high	21 Å²	21	44.5 Å²	44.5	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-47.5	178.2	-53.8	111	0	0	0	110.1	I219 P222 S223 Y224 N228 R229 L230 D367	I219-N226 HydrophobicContact CD1-CB 4.21Å; P222-N226 HydrophobicContact CB-CB 4.41Å; S223-N226 PolarHBondContact N-OD1 2.93Å; S223-N226 WeakPolarHBondContact O-CB 3.38Å; S223-N226 PolarHBondContact O-N 3.48Å; S223-N226 PolarHBondContact OG-OD1 3.22Å; Y224-N226 VanDerWaalsContact C-N 3.35Å; Y224-N226 PolarHBondContact O-N 2.9Å; N226-N228 PolarHBondContact O-N 3.06Å; N226-R229 PolarHBondContact O-N 2.91Å; N226-L230 PolarHBondContact O-N 3.44Å; N226-D367 PolarHBondContact ND2-OD1 3.31Å; N226-D367 PolarHBondContact ND2-OD2 2.91Å
227	L	92.4	Very high	92.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-56.4	-52.9	176.6	-63	167.9	0	0	0	111	I209 S223 Y224 R229 L230 I231	I209-L227 HydrophobicContact CB-CD2 3.8Å; I209-L227 HydrophobicContact CG2-CB 4.14Å; I209-L227 HydrophobicContact CG2-CD2 3.36Å; I209-L227 HydrophobicContact CG2-CG 4.35Å; S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.09Å; Y224-L227 HydrophobicContact CD1-CD1 4.03Å; Y224-L227 HydrophobicContact CE1-CD1 4.5Å; Y224-L227 PolarHBondContact O-N 2.71Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.85Å; L227-L230 PolarHBondContact O-N 2.92Å; L227-L230 VanDerWaalsContact O-N 3.09Å; L227-I231 WeakPolarHBondContact O-CG1 3.04Å; L227-I231 PolarHBondContact O-N 2.8Å
228	N	94.1	Very high	92.2	Very high	14 Å²	14	43 Å²	43	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-30.9	-176.7	-66.9	-14.7	0	0	0	112.8	Q15 I16 A19 Y224 N226 I231 S232	Q15-N228 WeakPolarHBondContact CB-ND2 3.44Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.24Å; A19-N228 HydrophobicContact CB-CB 4.12Å; Y224-N228 WeakPolarHBondContact O-CB 3.42Å; Y224-N228 PolarHBondContact O-N 3.46Å; Y224-N228 PolarHBondContact O-ND2 3.46Å; Y224-N228 PolarHBondContact O-OD1 3.35Å; N226-N228 PolarHBondContact O-N 3.06Å; N228-I231 PolarHBondContact O-N 3.16Å; N228-S232 VanDerWaalsContact O-CB 3.32Å; N228-S232 WeakPolarHBondContact O-CB 3.23Å; N228-S232 PolarHBondContact O-N 3.44Å
229	R	94.1	Very high	92.3	Very high	18 Å²	18	39.2 Å²	39.2	7%	0.068	17%	0.174	C	C	.	.	H	α-helix	trans	-67.3	-40.9	173.1	-80.4	174.2	167.8	-175.9	-15.1	111.7	R225 N226 L227 S232 Q233 G365	R225-R229 WeakPolarHBondContact O-CB 3.38Å; R225-R229 VanDerWaalsContact O-CG 3.29Å; R225-R229 WeakPolarHBondContact O-CG 3.26Å; R225-R229 PolarHBondContact O-N 2.8Å; R225-R229 VanDerWaalsContact O-N 3.14Å; N226-R229 PolarHBondContact O-N 2.91Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.85Å; R229-S232 WeakPolarHBondContact CA-OG 3.15Å; R229-S232 PolarHBondContact O-N 3.39Å; R229-S232 PolarHBondContact O-OG 3.17Å; R229-Q233 WeakPolarHBondContact O-CG 3.41Å; R229-Q233 PolarHBondContact O-N 3.42Å; R229-G365 PolarHBondContact NH1-O 2.83Å
230	L	93.9	Very high	92.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-44.3	173.9	-178.3	54.9	0	0	0	111.2	I209 I212 N226 L227 S232 Q233 I234 V275 L368	I209-L230 HydrophobicContact CG2-CB 4.24Å; I209-L230 HydrophobicContact CG2-CD2 3.8Å; I209-L230 HydrophobicContact CG2-CG 4.3Å; I212-L230 HydrophobicContact CB-CD2 4.23Å; I212-L230 HydrophobicContact CG2-CD2 3.66Å; N226-L230 PolarHBondContact O-N 3.44Å; L227-L230 PolarHBondContact O-N 2.92Å; L227-L230 VanDerWaalsContact O-N 3.09Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.19Å; L230-Q233 WeakPolarHBondContact O-CB 3.22Å; L230-Q233 PolarHBondContact O-N 2.73Å; L230-I234 HydrophobicContact CG-CD1 4.3Å; L230-I234 WeakPolarHBondContact O-CD1 3.33Å; L230-I234 WeakPolarHBondContact O-CG1 3.26Å; L230-I234 PolarHBondContact O-N 2.79Å; L230-V275 HydrophobicContact CD1-CG1 4.5Å; L230-V275 HydrophobicContact CD1-CG2 4.08Å; L230-L368 HydrophobicContact CD1-CD1 4.47Å
231	I	94.9	Very high	92.1	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-55.7	-46.4	173.3	-62.6	170.5	0	0	0	110.6	I16 V204 I209 L227 N228 Q233 I234 V235	I16-I231 HydrophobicContact CD1-CD1 3.99Å; I16-I231 HydrophobicContact CD1-CG2 4.31Å; I16-I231 HydrophobicContact CG1-CD1 4.23Å; I16-I231 HydrophobicContact CG1-CG2 4.36Å; I16-I231 HydrophobicContact CG2-CG2 3.78Å; V204-I231 HydrophobicContact CG1-CD1 3.76Å; V204-I231 HydrophobicContact CG1-CG1 3.79Å; I209-I231 HydrophobicContact CD1-CD1 3.7Å; I209-I231 HydrophobicContact CD1-CG1 3.41Å; I209-I231 VanDerWaalsContact CD1-CG1 3.41Å; L227-I231 WeakPolarHBondContact O-CG1 3.04Å; L227-I231 PolarHBondContact O-N 2.8Å; N228-I231 PolarHBondContact O-N 3.16Å; I231-Q233 VanDerWaalsContact C-N 3.27Å; I231-Q233 PolarHBondContact O-N 2.97Å; I231-I234 WeakPolarHBondContact O-CB 3.45Å; I231-I234 PolarHBondContact O-N 3.42Å; I231-I234 VanDerWaalsContact O-N 3.09Å; I231-V235 HydrophobicContact CG2-CG2 3.96Å; I231-V235 WeakPolarHBondContact O-CG2 3.15Å; I231-V235 PolarHBondContact O-N 2.77Å
232	S	95.8	Very high	91.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-34.8	-179.7	75	0	0	0	0	113.4	L23 N228 R229 L230 S236	L23-S232 WeakPolarHBondContact CD2-O 3.36Å; N228-S232 VanDerWaalsContact O-CB 3.32Å; N228-S232 WeakPolarHBondContact O-CB 3.23Å; N228-S232 PolarHBondContact O-N 3.44Å; R229-S232 WeakPolarHBondContact CA-OG 3.15Å; R229-S232 PolarHBondContact O-N 3.39Å; R229-S232 PolarHBondContact O-OG 3.17Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.19Å; S232-S236 WeakPolarHBondContact O-CB 3.4Å; S232-S236 PolarHBondContact O-N 2.83Å
233	Q	94.9	Very high	91.7	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-67.8	-37.3	176.8	-70.6	-69.1	-26.2	0	0	112.5	L23 R229 L230 I231 S237 T361 L368	L23-Q233 HydrophobicContact CD2-CG 4.3Å; R229-Q233 WeakPolarHBondContact O-CG 3.41Å; R229-Q233 PolarHBondContact O-N 3.42Å; L230-Q233 WeakPolarHBondContact O-CB 3.22Å; L230-Q233 PolarHBondContact O-N 2.73Å; I231-Q233 VanDerWaalsContact C-N 3.27Å; I231-Q233 PolarHBondContact O-N 2.97Å; Q233-S237 WeakPolarHBondContact O-CB 3.44Å; Q233-S237 PolarHBondContact O-N 2.94Å; Q233-S237 PolarHBondContact O-OG 2.93Å; Q233-T361 PolarHBondContact NE2-O 2.67Å; Q233-T361 PolarHBondContact OE1-O 3.14Å; Q233-L368 HydrophobicContact CB-CD1 4.46Å; Q233-L368 HydrophobicContact CG-CD1 3.61Å
234	I	93.4	Very high	91.4	Very high	7 Å²	7	18 Å²	18	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-69.9	-51.6	177.7	-61.3	158	0	0	0	109.5	L230 I231 S236 S237 I238 T270 Y272 M302	L230-I234 HydrophobicContact CG-CD1 4.3Å; L230-I234 WeakPolarHBondContact O-CD1 3.33Å; L230-I234 WeakPolarHBondContact O-CG1 3.26Å; L230-I234 PolarHBondContact O-N 2.79Å; I231-I234 WeakPolarHBondContact O-CB 3.45Å; I231-I234 PolarHBondContact O-N 3.42Å; I231-I234 VanDerWaalsContact O-N 3.09Å; I234-S236 PolarHBondContact O-N 3.01Å; I234-S237 WeakPolarHBondContact O-CA 3.28Å; I234-S237 WeakPolarHBondContact O-CB 3.3Å; I234-S237 PolarHBondContact O-N 2.76Å; I234-I238 HydrophobicContact CG2-CD1 3.92Å; I234-I238 WeakPolarHBondContact O-CG1 3.07Å; I234-I238 PolarHBondContact O-N 2.85Å; I234-T270 HydrophobicContact CG2-CG2 3.31Å; I234-Y272 HydrophobicContact CG1-CD2 4.35Å; I234-Y272 HydrophobicContact CG1-CG 4.12Å; I234-M302 HydrophobicContact CD1-CE 3.26Å; I234-M302 HydrophobicContact CD1-CG 3.86Å; I234-M302 HydrophobicContact CD1-SD 3.36Å; I234-M302 WeakPolarHBondContact CD1-SD 3.21Å; I234-M302 HydrophobicContact CG1-CE 3.99Å
235	V	94.9	Very high	90.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-41.1	176.1	178.3	0	0	0	0	110.3	Y24 F138 F169 I231 S237 I238 T239	Y24-V235 WeakPolarHBondContact OH-CG1 3.42Å; F138-V235 HydrophobicContact CE1-CB 4.46Å; F138-V235 HydrophobicContact CE1-CG1 3.6Å; F138-V235 HydrophobicContact CE1-CG2 3.97Å; F138-V235 HydrophobicContact CZ-CG1 3.73Å; F169-V235 HydrophobicContact CD1-CG2 3.86Å; F169-V235 HydrophobicContact CE1-CB 4.46Å; F169-V235 HydrophobicContact CE1-CG1 4.32Å; F169-V235 HydrophobicContact CE1-CG2 3.92Å; F169-V235 HydrophobicContact CE2-CG1 4.37Å; F169-V235 HydrophobicContact CG-CG2 4.41Å; F169-V235 HydrophobicContact CZ-CG1 4.11Å; I231-V235 HydrophobicContact CG2-CG2 3.96Å; I231-V235 WeakPolarHBondContact O-CG2 3.15Å; I231-V235 PolarHBondContact O-N 2.77Å; V235-S237 VanDerWaalsContact C-N 3.32Å; V235-S237 PolarHBondContact O-N 2.87Å; V235-I238 PolarHBondContact O-N 3.15Å; V235-T239 HydrophobicContact CG1-CG2 4.32Å; V235-T239 WeakPolarHBondContact O-CB 3.19Å; V235-T239 WeakPolarHBondContact O-CG2 3.3Å; V235-T239 PolarHBondContact O-N 3.12Å; V235-T239 PolarHBondContact O-OG1 3.27Å
236	S	94.7	Very high	89.8	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.1	-40.5	174.2	175.8	0	0	0	0	112.4	E27 S232 I234 T239 A240 R243 R320	E27-S236 VanDerWaalsContact CD-OG 3.25Å; E27-S236 PolarHBondContact OE1-OG 2.68Å; E27-S236 PolarHBondContact OE2-OG 2.92Å; S232-S236 WeakPolarHBondContact O-CB 3.4Å; S232-S236 PolarHBondContact O-N 2.83Å; I234-S236 PolarHBondContact O-N 3.01Å; S236-T239 PolarHBondContact O-OG1 2.74Å; S236-A240 WeakPolarHBondContact O-CA 3.42Å; S236-A240 VanDerWaalsContact O-CB 3.25Å; S236-A240 WeakPolarHBondContact O-CB 3.35Å; S236-A240 PolarHBondContact O-N 3.46Å; S236-R243 PolarHBondContact O-NH2 2.85Å; S236-R243 VanDerWaalsContact O-NH2 3.1Å; S236-R243 PolarHBondContact OG-NH2 3.5Å; S236-R320 PolarHBondContact OG-NH1 2.98Å
237	S	92.6	Very high	88.3	Confident	4 Å²	4	15.6 Å²	15.6	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-69.2	-36.7	178	-58.7	0	0	0	0	112.8	Q233 I234 V235 Y272	Q233-S237 WeakPolarHBondContact O-CB 3.44Å; Q233-S237 PolarHBondContact O-N 2.94Å; Q233-S237 PolarHBondContact O-OG 2.93Å; I234-S237 WeakPolarHBondContact O-CA 3.28Å; I234-S237 WeakPolarHBondContact O-CB 3.3Å; I234-S237 PolarHBondContact O-N 2.76Å; V235-S237 VanDerWaalsContact C-N 3.32Å; V235-S237 PolarHBondContact O-N 2.87Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.28Å
238	I	91.2	Very high	87	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-68.4	-44.2	175.6	-64.4	167.7	0	0	0	110.6	F169 F202 I234 V235 A240 F255 T270 L378	F169-I238 HydrophobicContact CE1-CD1 3.8Å; F169-I238 HydrophobicContact CZ-CD1 4.48Å; F169-I238 HydrophobicContact CZ-CG2 4.18Å; F202-I238 HydrophobicContact CD1-CD1 4.48Å; F202-I238 HydrophobicContact CE2-CG2 4.05Å; F202-I238 HydrophobicContact CG-CD1 4.43Å; F202-I238 HydrophobicContact CZ-CG2 4.12Å; I234-I238 HydrophobicContact CG2-CD1 3.92Å; I234-I238 WeakPolarHBondContact O-CG1 3.07Å; I234-I238 PolarHBondContact O-N 2.85Å; V235-I238 PolarHBondContact O-N 3.15Å; I238-A240 VanDerWaalsContact C-N 3.33Å; I238-F255 HydrophobicContact CG2-CE1 4.1Å; I238-F255 HydrophobicContact CG2-CZ 3.86Å; I238-F255 WeakPolarHBondContact O-CZ 3.2Å; I238-T270 HydrophobicContact CD1-CG2 4.29Å; I238-L378 HydrophobicContact CD1-CD2 3.81Å; I238-L378 HydrophobicContact CG1-CD1 4.22Å; I238-L378 HydrophobicContact CG1-CD2 3.95Å; I238-L378 HydrophobicContact CG2-CD1 4.42Å
239	T	91.4	Very high	85.5	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-84.8	-4.3	-178.4	61.2	0	0	0	0	113.9	Y24 F52 L136 V235 S236 S241 L242 R243	Y24-T239 PolarHBondContact OH-OG1 2.87Å; F52-T239 HydrophobicContact CE1-CG2 4.43Å; F52-T239 HydrophobicContact CZ-CG2 4.03Å; L136-T239 HydrophobicContact CD1-CG2 3.91Å; V235-T239 HydrophobicContact CG1-CG2 4.32Å; V235-T239 WeakPolarHBondContact O-CB 3.19Å; V235-T239 WeakPolarHBondContact O-CG2 3.3Å; V235-T239 PolarHBondContact O-N 3.12Å; V235-T239 PolarHBondContact O-OG1 3.27Å; S236-T239 PolarHBondContact O-OG1 2.74Å; T239-S241 VanDerWaalsContact C-N 3.26Å; T239-S241 PolarHBondContact O-N 2.64Å; T239-L242 WeakPolarHBondContact O-CB 3.16Å; T239-L242 PolarHBondContact O-N 2.52Å; T239-R243 PolarHBondContact O-N 2.83Å; T239-R243 PolarHBondContact OG1-NE 3.16Å
240	A	89.6	Confident	84.2	Confident	3 Å²	3	20.8 Å²	20.8	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-35.7	-176.1	0	0	0	0	0	112.6	S236 I238 L242 R243 F244	S236-A240 WeakPolarHBondContact O-CA 3.42Å; S236-A240 VanDerWaalsContact O-CB 3.25Å; S236-A240 WeakPolarHBondContact O-CB 3.35Å; S236-A240 PolarHBondContact O-N 3.46Å; I238-A240 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 3.36Å; A240-R243 PolarHBondContact O-N 3.23Å; A240-F244 HydrophobicContact CB-CD2 4.37Å; A240-F244 PolarHBondContact O-N 3.21Å
241	S	84	Confident	83.3	Confident	21 Å²	21	21.8 Å²	21.8	15%	0.147	13%	0.133	C	C	.	.	H	α-helix	trans	-67.1	-18.3	177.8	59.7	0	0	0	0	113.9	T239 V250	T239-S241 VanDerWaalsContact C-N 3.26Å; T239-S241 PolarHBondContact O-N 2.64Å; S241-V250 WeakPolarHBondContact CB-O 3.3Å; S241-V250 PolarHBondContact OG-O 3.41Å
242	L	84.1	Confident	82.6	Confident	15 Å²	15	21.8 Å²	21.8	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-91.7	-25.3	178.4	-53.6	168.6	0	0	0	111.9	T51 F52 T239 A240 V250 L252	T51-L242 WeakPolarHBondContact CB-O 3.5Å; T51-L242 HydrophobicContact CG2-CB 4.17Å; T51-L242 VanDerWaalsContact CG2-O 3.31Å; T51-L242 WeakPolarHBondContact CG2-O 3.37Å; T51-L242 PolarHBondContact OG1-O 3.4Å; F52-L242 HydrophobicContact CE2-CB 3.8Å; F52-L242 HydrophobicContact CE2-CD1 4.11Å; F52-L242 HydrophobicContact CZ-CD1 4.14Å; T239-L242 WeakPolarHBondContact O-CB 3.16Å; T239-L242 PolarHBondContact O-N 2.52Å; A240-L242 PolarHBondContact O-N 3.36Å; L242-V250 WeakPolarHBondContact CD2-O 3.02Å; L242-L252 HydrophobicContact CD1-CD2 3.42Å; L242-L252 VanDerWaalsContact CD1-CD2 3.42Å; L242-L252 HydrophobicContact CD1-CG 4.47Å; L242-L252 HydrophobicContact CD2-CD2 4.07Å; L242-L252 HydrophobicContact CD2-CG 4.45Å; L242-L252 HydrophobicContact CG-CD2 4.37Å
243	R	87.4	Confident	82	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-101.6	-22.4	-173.2	-66.6	-174.8	-61.6	104.8	-0.6	113.5	E27 H28 S48 F52 S236 T239 A240	E27-R243 IonicContact OE2-CZ 3.94Å; E27-R243 IonicContact OE2-NH1 3.86Å; E27-R243 PolarHBondContact OE2-NH1 2.97Å; E27-R243 IonicContact OE2-NH2 2.83Å; E27-R243 PolarHBondContact OE2-NH2 3.1Å; H28-R243 PolarHBondContact NE2-NH1 3.35Å; S48-R243 CarbonylContact C-O 3.58Å; S48-R243 VanDerWaalsContact C-O 3.31Å; S48-R243 VanDerWaalsContact CB-O 3.3Å; S48-R243 WeakPolarHBondContact CB-O 3.38Å; S48-R243 PolarHBondContact OG-O 2.91Å; F52-R243 HydrophobicContact CD2-CG 3.39Å; F52-R243 HydrophobicContact CE2-CG 3.59Å; F52-R243 HydrophobicContact CG-CG 3.93Å; F52-R243 HydrophobicContact CZ-CG 4.24Å; S236-R243 PolarHBondContact O-NH2 2.85Å; S236-R243 VanDerWaalsContact O-NH2 3.1Å; S236-R243 PolarHBondContact OG-NH2 3.5Å; T239-R243 PolarHBondContact O-N 2.83Å; T239-R243 PolarHBondContact OG1-NE 3.16Å; A240-R243 PolarHBondContact O-N 3.23Å
244	F	85.3	Confident	81.4	Confident	8 Å²	8	28 Å²	28	4%	0.035	17%	0.167	C	C	.	.	S	Bend	trans	-130.4	149	-178.4	-60.8	-67.4	0	0	0	111	E27 H28 A240 G246 N356 Q358	E27-F244 HydrophobicContact CB-CZ 3.98Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.35Å; H28-F244 AromaticContact CE1-CD1 3.92Å; H28-F244 AromaticContact CE1-CE1 3.17Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.44Å; H28-F244 AromaticContact CE1-CZ 3.24Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.48Å; H28-F244 AromaticContact ND1-CE1 3.49Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.19Å; H28-F244 AromaticContact ND1-CZ 3.77Å; H28-F244 AromaticContact NE2-CZ 3.68Å; A240-F244 HydrophobicContact CB-CD2 4.37Å; A240-F244 PolarHBondContact O-N 3.21Å; F244-G246 PolarHBondContact O-N 3.43Å; F244-N356 VanDerWaalsContact CB-ND2 3.26Å; F244-N356 WeakPolarHBondContact CB-ND2 3.44Å; F244-N356 VanDerWaalsContact CD2-ND2 3.33Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.49Å; F244-Q358 VanDerWaalsContact CD1-CD 3.4Å; F244-Q358 VanDerWaalsContact CZ-OE1 3.25Å
245	D	76.7	Confident	80.8	Confident	127 Å²	127	27.8 Å²	27.8	68%	0.679	17%	0.166	S	C	*	.			trans	-68.4	128.2	165.4	-72.8	-25.6	0	0	0	110.6
246	G	68.4	Low	80.3	Confident	24 Å²	24	30.6 Å²	30.6	25%	0.247	18%	0.179	C	C	.	.			trans	-131.1	175	175.9	0	0	0	0	0	112.1	F244 L248 N249	F244-G246 PolarHBondContact O-N 3.43Å; G246-L248 PolarHBondContact O-N 3.48Å; G246-N249 WeakPolarHBondContact CA-OD1 3.49Å; G246-N249 PolarHBondContact N-OD1 2.89Å; G246-N249 PolarHBondContact O-OD1 2.64Å
247	A	61.5	Low	80	Confident	68 Å²	68	35.6 Å²	35.6	56%	0.562	21%	0.21	S	C	*	.	S	Bend	trans	-70.7	-22.6	178.2	0	0	0	0	0	112.8	I355 Y357	A247-I355 PolarHBondContact N-O 3.36Å; A247-I355 VanDerWaalsContact N-O 3.08Å; A247-Y357 HydrophobicContact CB-CE2 4.26Å
248	L	63.5	Low	79.7	Confident	85 Å²	85	37.1 Å²	37.1	45%	0.445	22%	0.217	S	C	.	.	S	Bend	trans	-141	104.9	171.2	-168.6	76.5	0	0	0	108.3	G246 V250 V353	G246-L248 PolarHBondContact O-N 3.48Å; L248-V250 PolarHBondContact O-N 3.21Å; L248-V353 WeakPolarHBondContact CD2-O 3.31Å
249	N	62.6	Low	79.5	Confident	55 Å²	55	37 Å²	37	29%	0.294	22%	0.216	S	C	.	.			trans	-87.5	94	-179.1	-71.4	-13	0	0	0	110.1	G246 D251	G246-N249 WeakPolarHBondContact CA-OD1 3.49Å; G246-N249 PolarHBondContact N-OD1 2.89Å; G246-N249 PolarHBondContact O-OD1 2.64Å; N249-D251 PolarHBondContact O-N 3.23Å
250	V	68	Low	79.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	22%	0.221	C	C	.	.			trans	-71.4	118.7	173.6	-173.5	0	0	0	0	109.5	S241 L242 L248 E254 F255	S241-V250 WeakPolarHBondContact CB-O 3.3Å; S241-V250 PolarHBondContact OG-O 3.41Å; L242-V250 WeakPolarHBondContact CD2-O 3.02Å; L248-V250 PolarHBondContact O-N 3.21Å; V250-E254 WeakPolarHBondContact CA-OE2 3.49Å; V250-E254 HydrophobicContact CG1-CB 3.7Å; V250-F255 HydrophobicContact CB-CE2 4.49Å; V250-F255 HydrophobicContact CG1-CD1 4.32Å; V250-F255 HydrophobicContact CG1-CD2 3.95Å; V250-F255 HydrophobicContact CG1-CE1 4.25Å; V250-F255 HydrophobicContact CG1-CE2 3.9Å; V250-F255 HydrophobicContact CG1-CG 4.17Å; V250-F255 HydrophobicContact CG1-CZ 4.04Å
251	D	74.7	Confident	79.5	Confident	24 Å²	24	40 Å²	40	13%	0.128	24%	0.235	C	C	.	.			trans	-87.8	172.4	170	67	28.6	0	0	0	112.8	R2 N249 T253 E254 F255	R2-D251 IonicContact CZ-OD2 2.71Å; R2-D251 IonicContact NH1-OD2 3.94Å; R2-D251 IonicContact NH2-OD2 3.39Å; N249-D251 PolarHBondContact O-N 3.23Å; D251-T253 PolarHBondContact O-N 2.83Å; D251-T253 PolarHBondContact OD1-N 3.09Å; D251-T253 VanDerWaalsContact OD1-N 3.15Å; D251-E254 PolarHBondContact O-N 2.71Å; D251-E254 WeakPolarHBondContact OD1-CB 3.35Å; D251-E254 VanDerWaalsContact OD1-CG 3.29Å; D251-E254 WeakPolarHBondContact OD1-CG 3.41Å; D251-E254 PolarHBondContact OD1-N 2.85Å; D251-F255 WeakPolarHBondContact O-CD2 3.45Å; D251-F255 PolarHBondContact O-N 2.86Å; D251-F255 VanDerWaalsContact O-N 3.15Å
252	L	79.6	Confident	79.8	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-36.6	-179.5	-58.4	-171.4	0	0	0	112.8	Q133 L136 L167 L242 F255	Q133-L252 HydrophobicContact CB-CD1 3.81Å; Q133-L252 HydrophobicContact CB-CG 4.16Å; L136-L252 HydrophobicContact CD2-CD2 4.01Å; L167-L252 HydrophobicContact CD1-CB 3.82Å; L167-L252 HydrophobicContact CD1-CD1 4.19Å; L167-L252 HydrophobicContact CD1-CD2 3.44Å; L167-L252 VanDerWaalsContact CD1-CD2 3.44Å; L167-L252 HydrophobicContact CD1-CG 3.99Å; L242-L252 HydrophobicContact CD1-CD2 3.42Å; L242-L252 VanDerWaalsContact CD1-CD2 3.42Å; L242-L252 HydrophobicContact CD1-CG 4.47Å; L242-L252 HydrophobicContact CD2-CD2 4.07Å; L242-L252 HydrophobicContact CD2-CG 4.45Å; L242-L252 HydrophobicContact CG-CD2 4.37Å; L252-F255 PolarHBondContact O-N 2.89Å
253	T	82.9	Confident	80.1	Confident	70 Å²	70	48.5 Å²	48.5	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-73.2	-32.7	-179.9	-53.6	0	0	0	0	111.4	D251 F255 Q256 T257	D251-T253 PolarHBondContact O-N 2.83Å; D251-T253 PolarHBondContact OD1-N 3.09Å; D251-T253 VanDerWaalsContact OD1-N 3.15Å; T253-F255 VanDerWaalsContact C-N 3.32Å; T253-Q256 PolarHBondContact O-N 3.26Å; T253-T257 PolarHBondContact O-N 2.84Å; T253-T257 PolarHBondContact O-OG1 2.73Å
254	E	83.6	Confident	80.4	Confident	65 Å²	65	52 Å²	52	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-29.6	173.2	-78.1	-176.2	-157.6	0	0	112.1	V250 D251 T257 N258	V250-E254 WeakPolarHBondContact CA-OE2 3.49Å; V250-E254 HydrophobicContact CG1-CB 3.7Å; D251-E254 PolarHBondContact O-N 2.71Å; D251-E254 WeakPolarHBondContact OD1-CB 3.35Å; D251-E254 VanDerWaalsContact OD1-CG 3.29Å; D251-E254 WeakPolarHBondContact OD1-CG 3.41Å; D251-E254 PolarHBondContact OD1-N 2.85Å; E254-T257 PolarHBondContact O-N 2.89Å; E254-N258 WeakPolarHBondContact O-CB 3.37Å; E254-N258 PolarHBondContact O-N 3.13Å; E254-N258 PolarHBondContact O-ND2 3.05Å
255	F	81	Confident	80.9	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-48.2	170.8	-81.3	-72	0	0	0	111.4	L167 F202 I238 V250 D251 L252 T253 N258 L259 L318 L378	L167-F255 HydrophobicContact CD2-CB 4.23Å; F202-F255 HydrophobicContact CZ-CD1 4.24Å; I238-F255 HydrophobicContact CG2-CE1 4.1Å; I238-F255 HydrophobicContact CG2-CZ 3.86Å; I238-F255 WeakPolarHBondContact O-CZ 3.2Å; V250-F255 HydrophobicContact CB-CE2 4.49Å; V250-F255 HydrophobicContact CG1-CD1 4.32Å; V250-F255 HydrophobicContact CG1-CD2 3.95Å; V250-F255 HydrophobicContact CG1-CE1 4.25Å; V250-F255 HydrophobicContact CG1-CE2 3.9Å; V250-F255 HydrophobicContact CG1-CG 4.17Å; V250-F255 HydrophobicContact CG1-CZ 4.04Å; D251-F255 WeakPolarHBondContact O-CD2 3.45Å; D251-F255 PolarHBondContact O-N 2.86Å; D251-F255 VanDerWaalsContact O-N 3.15Å; L252-F255 PolarHBondContact O-N 2.89Å; T253-F255 VanDerWaalsContact C-N 3.32Å; F255-N258 PolarHBondContact O-N 2.78Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 VanDerWaalsContact O-CB 3.25Å; F255-L259 WeakPolarHBondContact O-CB 3.24Å; F255-L259 PolarHBondContact O-N 3.19Å; F255-L318 HydrophobicContact CE1-CD1 4.29Å; F255-L318 HydrophobicContact CZ-CD1 4.42Å; F255-L378 HydrophobicContact CD1-CD1 4Å; F255-L378 HydrophobicContact CE1-CD1 3.49Å; F255-L378 VanDerWaalsContact CE1-CD1 3.49Å
256	Q	84.4	Confident	81.8	Confident	60 Å²	60	45.8 Å²	45.8	28%	0.28	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-51.2	175.8	-176.1	177.4	20.5	0	0	110.8	D199 T253 N258 L259 V260	D199-Q256 PolarHBondContact OD1-NE2 3.28Å; D199-Q256 VanDerWaalsContact OD1-NE2 3.12Å; T253-Q256 PolarHBondContact O-N 3.26Å; Q256-N258 VanDerWaalsContact C-N 3.28Å; Q256-N258 PolarHBondContact O-N 2.92Å; Q256-L259 PolarHBondContact O-N 3.16Å; Q256-V260 HydrophobicContact CG-CB 4.32Å; Q256-V260 WeakPolarHBondContact O-CA 3.32Å; Q256-V260 VanDerWaalsContact O-CB 3.32Å; Q256-V260 WeakPolarHBondContact O-CB 3.41Å; Q256-V260 PolarHBondContact O-N 3.3Å
257	T	86.8	Confident	83.1	Confident	105 Å²	105	44.9 Å²	44.9	64%	0.644	25%	0.247	S	C	*	.	H	α-helix	trans	-62.2	-34.2	-177.3	-53.7	0	0	0	0	112.8	T253 E254	T253-T257 PolarHBondContact O-N 2.84Å; T253-T257 PolarHBondContact O-OG1 2.73Å; E254-T257 PolarHBondContact O-N 2.89Å
258	N	86.8	Confident	84.7	Confident	35 Å²	35	41.6 Å²	41.6	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-89.6	-29.9	-176.5	-70.9	-46.8	0	0	0	113.8	E254 F255 Q256 A314 K352	E254-N258 WeakPolarHBondContact O-CB 3.37Å; E254-N258 PolarHBondContact O-N 3.13Å; E254-N258 PolarHBondContact O-ND2 3.05Å; F255-N258 PolarHBondContact O-N 2.78Å; Q256-N258 VanDerWaalsContact C-N 3.28Å; Q256-N258 PolarHBondContact O-N 2.92Å; N258-A314 VanDerWaalsContact O-CB 3.23Å; N258-A314 WeakPolarHBondContact O-CB 3.48Å; N258-K352 HydrophobicContact CB-CG 4.18Å; N258-K352 VanDerWaalsContact OD1-CE 3.25Å; N258-K352 WeakPolarHBondContact OD1-CE 3.25Å
259	L	88.1	Confident	86.1	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-110.7	-21.7	-172.2	-63.1	174.9	0	0	0	113.9	F202 F255 Q256 P261 P268 A314 C316 L378 N380	F202-L259 HydrophobicContact CE1-CD1 4.28Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 VanDerWaalsContact O-CB 3.25Å; F255-L259 WeakPolarHBondContact O-CB 3.24Å; F255-L259 PolarHBondContact O-N 3.19Å; Q256-L259 PolarHBondContact O-N 3.16Å; L259-P261 VanDerWaalsContact O-CD 3.22Å; L259-P261 WeakPolarHBondContact O-CD 3.46Å; L259-P268 HydrophobicContact CB-CG 4Å; L259-P268 HydrophobicContact CD1-CB 4.25Å; L259-P268 HydrophobicContact CD1-CG 3.93Å; L259-A314 HydrophobicContact CD2-CB 4.35Å; L259-C316 HydrophobicContact CD2-CB 3.86Å; L259-L378 HydrophobicContact CD1-CB 3.79Å; L259-L378 HydrophobicContact CD1-CD1 3.88Å; L259-L378 HydrophobicContact CD1-CG 4.5Å; L259-L378 HydrophobicContact CD2-CB 4.11Å; L259-L378 WeakPolarHBondContact CD2-O 3.31Å; L259-N380 VanDerWaalsContact O-CB 3.23Å; L259-N380 WeakPolarHBondContact O-CB 3.12Å; L259-N380 PolarHBondContact O-ND2 3.5Å
260	V	91.3	Very high	87.6	Confident	17 Å²	17	35 Å²	35	10%	0.103	19%	0.186	C	C	.	.			trans	-114.7	90.4	-169.8	-175.3	0	0	0	0	109.6	C200 Q256 Y262 H266	C200-V260 HydrophobicContact CB-CG2 4.03Å; Q256-V260 HydrophobicContact CG-CB 4.32Å; Q256-V260 WeakPolarHBondContact O-CA 3.32Å; Q256-V260 VanDerWaalsContact O-CB 3.32Å; Q256-V260 WeakPolarHBondContact O-CB 3.41Å; Q256-V260 PolarHBondContact O-N 3.3Å; V260-Y262 WeakPolarHBondContact CG1-O 3.4Å; V260-H266 HydrophobicContact CB-CB 4.4Å; V260-H266 HydrophobicContact CG1-CB 3.58Å; V260-H266 HydrophobicContact CG2-CB 3.86Å
261	P	88.8	Confident	89	Confident	51 Å²	51	35 Å²	35	33%	0.331	19%	0.185	S	C	.	.	S	Bend	trans	-71.1	-34.9	179.2	29.4	-35.5	0	0	0	112.3	L259 M313 W346	L259-P261 VanDerWaalsContact O-CD 3.22Å; L259-P261 WeakPolarHBondContact O-CD 3.46Å; P261-M313 HydrophobicContact CG-CB 4.08Å; P261-M313 HydrophobicContact CG-CG 4.39Å; P261-M313 HydrophobicContact CG-SD 3.82Å; P261-W346 HydrophobicContact CB-CH2 3.52Å; P261-W346 HydrophobicContact CB-CZ3 3.96Å; P261-W346 HydrophobicContact CG-CH2 3.85Å
262	Y	90.4	Very high	90	Very high	108 Å²	108	34.1 Å²	34.1	42%	0.424	18%	0.18	S	C	.	.	S	Bend	trans	-125	135.5	179.4	-61.3	-72.4	0	0	0	109.5	V260 R264 I265 W346 V435	V260-Y262 WeakPolarHBondContact CG1-O 3.4Å; Y262-R264 VanDerWaalsContact C-N 3.26Å; Y262-R264 PolarHBondContact O-N 3.48Å; Y262-R264 VanDerWaalsContact O-N 3.13Å; Y262-I265 HydrophobicContact CD2-CD1 4.14Å; Y262-I265 CarbonylContact O-C 3.59Å; Y262-I265 PolarHBondContact O-N 2.78Å; Y262-W346 HydrophobicContact CE2-CH2 4.26Å; Y262-W346 AromaticContact CE2-CZ2 3.88Å; Y262-W346 HydrophobicContact CE2-CZ2 3.88Å; Y262-V435 HydrophobicContact CD2-CG2 4.04Å; Y262-V435 HydrophobicContact CE2-CG2 3.8Å
263	P	90.6	Very high	90.7	Very high	107 Å²	107	34 Å²	34	70%	0.695	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.7	-175.1	-29.6	35.7	0	0	0	115.2	H266	P263-H266 PolarHBondContact O-ND1 2.89Å
264	R	93.9	Very high	91.2	Very high	75 Å²	75	31.3 Å²	31.3	28%	0.283	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-27.1	178.2	-69.9	176.6	59.7	87	0.3	113.4	L195 Y262 H266 D424 L428 D431	L195-R264 VanDerWaalsContact CD2-NH1 3.33Å; Y262-R264 VanDerWaalsContact C-N 3.26Å; Y262-R264 PolarHBondContact O-N 3.48Å; Y262-R264 VanDerWaalsContact O-N 3.13Å; R264-H266 VanDerWaalsContact C-N 3.33Å; R264-H266 PolarHBondContact O-N 3.07Å; R264-D424 IonicContact CZ-OD1 2.82Å; R264-D424 VanDerWaalsContact CZ-OD1 3.24Å; R264-D424 IonicContact NH1-OD1 2.71Å; R264-D424 PolarHBondContact NH1-OD1 3.09Å; R264-D424 PolarHBondContact NH2-O 3.07Å; R264-D424 IonicContact NH2-OD1 2.81Å; R264-D424 PolarHBondContact NH2-OD1 3.15Å; R264-L428 HydrophobicContact CB-CD1 4.27Å; R264-L428 WeakPolarHBondContact O-CD1 3.22Å; R264-D431 IonicContact CZ-OD2 3.22Å; R264-D431 IonicContact NE-OD2 3.97Å; R264-D431 PolarHBondContact NE-OD2 3.16Å; R264-D431 IonicContact NH2-OD2 3.59Å
265	I	94.9	Very high	91.7	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	15%	0.152	C	C	.	.			trans	-95.2	65	-178.1	-59.3	171.1	0	0	0	109.3	Y262 M313 N380 D431 Y432 V435	Y262-I265 HydrophobicContact CD2-CD1 4.14Å; Y262-I265 CarbonylContact O-C 3.59Å; Y262-I265 PolarHBondContact O-N 2.78Å; I265-M313 HydrophobicContact CG2-CE 3.64Å; I265-M313 HydrophobicContact CG2-SD 3.78Å; I265-N380 PolarHBondContact O-ND2 3.03Å; I265-D431 HydrophobicContact CD1-CB 4.17Å; I265-D431 HydrophobicContact CG1-CB 4.36Å; I265-Y432 HydrophobicContact CB-CE1 4.36Å; I265-Y432 HydrophobicContact CG1-CE1 4.33Å; I265-Y432 HydrophobicContact CG2-CD1 4.07Å; I265-Y432 HydrophobicContact CG2-CE1 3.33Å; I265-V435 HydrophobicContact CD1-CB 4.34Å; I265-V435 HydrophobicContact CD1-CG2 3.6Å
266	H	95.6	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.			trans	-111.8	29.8	-173.4	64.7	-122.6	0	0	0	113.9	L195 C200 A201 V260 P263 R264 P268	L195-H266 PolarHBondContact O-CE1 3.07Å; C200-H266 WeakPolarHBondContact CA-O 3.22Å; A201-H266 PolarHBondContact N-O 2.89Å; V260-H266 HydrophobicContact CB-CB 4.4Å; V260-H266 HydrophobicContact CG1-CB 3.58Å; V260-H266 HydrophobicContact CG2-CB 3.86Å; P263-H266 PolarHBondContact O-ND1 2.89Å; R264-H266 VanDerWaalsContact C-N 3.33Å; R264-H266 PolarHBondContact O-N 3.07Å; H266-P268 VanDerWaalsContact C-CD 3.46Å; H266-P268 WeakPolarHBondContact O-CD 3.5Å
267	F	96.1	Very high	92.4	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.022	15%	0.148	C	C	.	.			trans	-112.4	79.3	-177.7	-56.8	-86.7	0	0	0	112.5	T191 L195 A201 M203 L269 I384 W388 L428	T191-F267 HydrophobicContact CG2-CZ 4.11Å; L195-F267 HydrophobicContact CD1-CE2 3.64Å; L195-F267 HydrophobicContact CD1-CZ 3.7Å; A201-F267 HydrophobicContact CB-CD1 3.67Å; A201-F267 HydrophobicContact CB-CE1 3.71Å; A201-F267 WeakPolarHBondContact O-CA 3.21Å; M203-F267 HydrophobicContact CG-CD1 4.13Å; M203-F267 HydrophobicContact SD-CB 4.16Å; M203-F267 HydrophobicContact SD-CD1 3.96Å; M203-F267 HydrophobicContact SD-CG 4.32Å; F267-L269 PolarHBondContact O-N 3.01Å; F267-I384 HydrophobicContact CB-CD1 3.99Å; F267-I384 VanDerWaalsContact O-CD1 3.26Å; F267-I384 WeakPolarHBondContact O-CD1 3.29Å; F267-W388 HydrophobicContact CD1-CH2 4.44Å; F267-W388 AromaticContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD2-CZ2 4.14Å; F267-W388 HydrophobicContact CE1-CH2 4.05Å; F267-W388 AromaticContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE2-CZ2 4.08Å; F267-W388 AromaticContact CG-CZ2 3.95Å; F267-W388 HydrophobicContact CG-CZ2 3.95Å; F267-W388 HydrophobicContact CZ-CH2 4.31Å; F267-W388 AromaticContact CZ-CZ2 3.83Å; F267-W388 HydrophobicContact CZ-CZ2 3.83Å; F267-L428 HydrophobicContact CE2-CD2 4.11Å
268	P	94.3	Very high	92.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.			trans	-65.6	133.4	176	-19.6	31.8	0	0	0	112.1	C200 F202 L259 H266	C200-P268 VanDerWaalsContact SG-CG 3.59Å; F202-P268 HydrophobicContact CD1-CB 4.22Å; F202-P268 HydrophobicContact CD1-CG 4.35Å; F202-P268 HydrophobicContact CE1-CB 4.13Å; F202-P268 HydrophobicContact CE1-CG 4.04Å; L259-P268 HydrophobicContact CB-CG 4Å; L259-P268 HydrophobicContact CD1-CB 4.25Å; L259-P268 HydrophobicContact CD1-CG 3.93Å; H266-P268 VanDerWaalsContact C-CD 3.46Å; H266-P268 WeakPolarHBondContact O-CD 3.5Å
269	L	93.6	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.4	165.4	-179.7	66	0	0	0	109.5	F267 Q301 V303 P307 L378 S379 T381	F267-L269 PolarHBondContact O-N 3.01Å; L269-Q301 HydrophobicContact CD1-CB 4.38Å; L269-Q301 HydrophobicContact CD2-CG 3.99Å; L269-V303 HydrophobicContact CD1-CB 3.54Å; L269-V303 HydrophobicContact CD1-CG2 3.91Å; L269-P307 HydrophobicContact CD2-CG 4.17Å; L269-L378 WeakPolarHBondContact O-CA 3.3Å; L269-S379 WeakPolarHBondContact CB-O 3.4Å; L269-S379 PolarHBondContact N-O 2.99Å; L269-S379 PolarHBondContact O-N 3.26Å; L269-T381 HydrophobicContact CB-CG2 4.06Å; L269-T381 HydrophobicContact CD2-CG2 3.99Å
270	T	94.8	Very high	91.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.6	175.9	-55.8	0	0	0	0	110.6	I234 I238 M302 M377 L378	I234-T270 HydrophobicContact CG2-CG2 3.31Å; I238-T270 HydrophobicContact CD1-CG2 4.29Å; T270-M302 HydrophobicContact CG2-CG 4.21Å; T270-M302 VanDerWaalsContact O-CB 3.26Å; T270-M302 WeakPolarHBondContact O-CB 3.23Å; T270-M302 WeakPolarHBondContact O-CG 3.13Å; T270-M302 PolarHBondContact O-N 2.92Å; T270-M377 CarbonylContact C-O 3.52Å; T270-M377 WeakPolarHBondContact CA-O 3.17Å; T270-L378 HydrophobicContact CG2-CD2 3.8Å; T270-L378 WeakPolarHBondContact OG1-CD2 3.28Å
271	T	96.1	Very high	90.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.4	173.9	-51.1	0	0	0	0	109.4	C295 N300 Q301 C376 M377	T271-C295 HydrophobicContact CG2-CB 4.33Å; T271-C295 VanDerWaalsContact CG2-O 3.28Å; T271-C295 WeakPolarHBondContact CG2-O 3.32Å; T271-N300 HydrophobicContact CG2-CB 3.85Å; T271-N300 VanDerWaalsContact CG2-O 3.29Å; T271-N300 WeakPolarHBondContact CG2-O 3.31Å; T271-Q301 HydrophobicContact CG2-CG 4.27Å; T271-Q301 WeakPolarHBondContact OG1-CG 3.43Å; T271-C376 CarbonylContact O-C 3.47Å; T271-C376 WeakPolarHBondContact O-CA 3.5Å; T271-M377 PolarHBondContact N-O 3.34Å; T271-M377 PolarHBondContact O-N 3.17Å
272	Y	95.9	Very high	89.3	Confident	6 Å²	6	44.2 Å²	44.2	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.6	179.6	-175	-96.7	0	0	0	111.7	I234 S237 P274 V275 A374 C376	I234-Y272 HydrophobicContact CG1-CD2 4.35Å; I234-Y272 HydrophobicContact CG1-CG 4.12Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.28Å; Y272-P274 WeakPolarHBondContact CE1-O 3.38Å; Y272-V275 HydrophobicContact CD1-CG2 3.8Å; Y272-V275 HydrophobicContact CE1-CG2 4.43Å; Y272-A374 HydrophobicContact CE2-CB 4.15Å; Y272-A374 WeakPolarHBondContact OH-CB 3.44Å; Y272-C376 HydrophobicContact CD2-CB 4.06Å
273	A	95.3	Very high	88	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.8	175.1	0	0	0	0	0	111.5	A294 A374 V375	A273-A294 HydrophobicContact CB-CB 3.78Å; A273-A374 CarbonylContact O-C 3.52Å; A273-A374 WeakPolarHBondContact O-CA 3.28Å; A273-V375 HydrophobicContact CB-CG1 4.27Å; A273-V375 PolarHBondContact N-O 3.31Å; A273-V375 WeakPolarHBondContact O-CG1 3.27Å; A273-V375 PolarHBondContact O-N 3Å; A273-V375 VanDerWaalsContact O-O 3.14Å
274	P	93.8	Very high	86.7	Confident	13 Å²	13	48.2 Å²	48.2	8%	0.084	23%	0.23	C	C	.	.			cis	-88.7	153.5	-3.8	37.7	-35.7	0	0	0	112.1	Y272 I276 L286 I291 V371 R373	Y272-P274 WeakPolarHBondContact CE1-O 3.38Å; P274-I276 HydrophobicContact CB-CD1 3.97Å; P274-I276 HydrophobicContact CB-CG1 3.97Å; P274-I276 HydrophobicContact CG-CD1 4.16Å; P274-I276 HydrophobicContact CG-CG1 4.47Å; P274-L286 HydrophobicContact CB-CD1 3.4Å; P274-L286 VanDerWaalsContact CB-CD1 3.4Å; P274-L286 HydrophobicContact CG-CD1 3.98Å; P274-I291 HydrophobicContact CB-CG2 4.37Å; P274-I291 HydrophobicContact CG-CG2 4.23Å; P274-V371 HydrophobicContact CG-CG1 4.12Å; P274-R373 WeakPolarHBondContact CD-O 3.41Å
275	V	92.4	Very high	85.8	Confident	10 Å²	10	51.8 Å²	51.8	6%	0.061	25%	0.25	C	C	.	.			trans	-111.3	107.1	168.4	179.7	0	0	0	0	107.1	I212 N216 L217 L230 Y272 L368	I212-V275 HydrophobicContact CG2-CB 4.18Å; I212-V275 HydrophobicContact CG2-CG1 3.74Å; I212-V275 HydrophobicContact CG2-CG2 4.15Å; N216-V275 HydrophobicContact CB-CB 4.2Å; N216-V275 HydrophobicContact CB-CG1 3.82Å; N216-V275 WeakPolarHBondContact CB-O 2.78Å; N216-V275 PolarHBondContact ND2-O 3.45Å; L217-V275 HydrophobicContact CD1-CG1 4.47Å; L217-V275 HydrophobicContact CD2-CG1 3.69Å; L217-V275 HydrophobicContact CG-CG1 4.04Å; L230-V275 HydrophobicContact CD1-CG1 4.5Å; L230-V275 HydrophobicContact CD1-CG2 4.08Å; Y272-V275 HydrophobicContact CD1-CG2 3.8Å; Y272-V275 HydrophobicContact CE1-CG2 4.43Å; V275-L368 HydrophobicContact CG1-CD2 3.9Å
276	I	90.8	Very high	85.4	Confident	32 Å²	32	53.8 Å²	53.8	16%	0.164	26%	0.26	C	S	.	.			trans	-130.2	134	-174.6	-52.6	176.4	0	0	0	109	P274 K280 L286 A369 V371	P274-I276 HydrophobicContact CB-CD1 3.97Å; P274-I276 HydrophobicContact CB-CG1 3.97Å; P274-I276 HydrophobicContact CG-CD1 4.16Å; P274-I276 HydrophobicContact CG-CG1 4.47Å; I276-K280 HydrophobicContact CG2-CB 3.97Å; I276-L286 HydrophobicContact CD1-CD1 3.9Å; I276-A369 HydrophobicContact CB-CB 4.17Å; I276-A369 HydrophobicContact CG2-CB 4.24Å; I276-A369 PolarHBondContact O-N 3.39Å; I276-V371 HydrophobicContact CD1-CG1 4.39Å
277	S	89.4	Confident	85.3	Confident	8 Å²	8	56.9 Å²	56.9	6%	0.056	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-59.4	141.2	171.7	176.8	0	0	0	0	111.9	N216 E279 K280 A281 D367	N216-S277 PolarHBondContact O-N 2.97Å; S277-E279 PolarHBondContact O-N 3.31Å; S277-E279 PolarHBondContact OG-N 2.89Å; S277-K280 PolarHBondContact O-N 2.91Å; S277-A281 PolarHBondContact O-N 3.1Å; S277-D367 WeakPolarHBondContact CA-O 3.47Å
278	A	84.6	Confident	85.3	Confident	47 Å²	47	56.8 Å²	56.8	39%	0.388	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.6	174.5	0	0	0	0	0	113.7	D367	A278-D367 PolarHBondContact N-O 2.79Å
279	E	80.7	Confident	85.3	Confident	165 Å²	165	59.1 Å²	59.1	77%	0.771	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-30.9	178.5	-59.8	-172.9	168.9	0	0	113	S277	S277-E279 PolarHBondContact O-N 3.31Å; S277-E279 PolarHBondContact OG-N 2.89Å
280	K	78.9	Confident	85.4	Confident	96 Å²	96	63.7 Å²	63.7	42%	0.417	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.6	-175.8	-69	175.5	175.7	165.1	0	113.4	D218 I276 S277 Y282 H283	D218-K280 IonicContact OD1-NZ 3.66Å; D218-K280 PolarHBondContact OD1-NZ 3.11Å; D218-K280 WeakPolarHBondContact OD2-CE 3.19Å; D218-K280 IonicContact OD2-NZ 3.5Å; D218-K280 PolarHBondContact OD2-NZ 3.31Å; I276-K280 HydrophobicContact CG2-CB 3.97Å; S277-K280 PolarHBondContact O-N 2.91Å; K280-Y282 VanDerWaalsContact C-N 3.25Å; K280-Y282 PolarHBondContact O-N 3.19Å; K280-Y282 VanDerWaalsContact O-N 3.1Å; K280-H283 PolarHBondContact O-N 3.2Å
281	A	68.8	Low	85.4	Confident	35 Å²	35	63.6 Å²	63.6	29%	0.289	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.8	-171.4	0	0	0	0	0	115.6	S277 A369	S277-A281 PolarHBondContact O-N 3.1Å; A281-A369 HydrophobicContact CB-CB 3.49Å; A281-A369 VanDerWaalsContact CB-CB 3.49Å
282	Y	63.9	Low	85.4	Confident	217 Å²	217	63.6 Å²	63.6	85%	0.851	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.7	-173	-65.8	-79.2	0	0	0	114.3	K280	K280-Y282 VanDerWaalsContact C-N 3.25Å; K280-Y282 PolarHBondContact O-N 3.19Å; K280-Y282 VanDerWaalsContact O-N 3.1Å
283	H	63.3	Low	85.3	Confident	160 Å²	160	65.3 Å²	65.3	74%	0.741	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-25	-169.1	-69.5	-64.3	0	0	0	114.1	K280	K280-H283 PolarHBondContact O-N 3.2Å
284	E	64.8	Low	85.3	Confident	138 Å²	138	66.2 Å²	66.2	65%	0.645	34%	0.338	S	S	*	.			trans	-143.9	121	-172	-65.3	-179	178.5	0	0	112.4
285	Q	73.1	Confident	85.3	Confident	151 Å²	151	65.6 Å²	65.6	71%	0.706	33%	0.334	S	S	*	.			trans	-97.3	106.4	163.9	-72.8	-172.3	-8.8	0	0	108.6
286	L	87.3	Confident	85.3	Confident	45 Å²	45	66.4 Å²	66.4	24%	0.236	34%	0.336	C	S	.	.			trans	-75.2	135.1	-179.2	-63.7	170.1	0	0	0	111.2	P274 I276 E290 I291 R373	P274-L286 HydrophobicContact CB-CD1 3.4Å; P274-L286 VanDerWaalsContact CB-CD1 3.4Å; P274-L286 HydrophobicContact CG-CD1 3.98Å; I276-L286 HydrophobicContact CD1-CD1 3.9Å; L286-E290 HydrophobicContact CD2-CB 4.29Å; L286-I291 HydrophobicContact CB-CG2 3.61Å; L286-I291 HydrophobicContact CD1-CG2 4.12Å; L286-R373 WeakPolarHBondContact O-CD 3.4Å
287	T	93.9	Very high	85.3	Confident	64 Å²	64	69.2 Å²	69.2	39%	0.393	35%	0.349	S	S	.	.			trans	-75.9	164	175.5	64.8	0	0	0	0	111.6	A289 E290 I291	T287-A289 PolarHBondContact O-N 2.97Å; T287-E290 WeakPolarHBondContact CB-OE2 3.31Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.46Å; T287-E290 PolarHBondContact N-OE2 3.05Å; T287-E290 PolarHBondContact O-N 3.29Å; T287-E290 VanDerWaalsContact OG1-CD 3.27Å; T287-E290 WeakPolarHBondContact OG1-CG 3.48Å; T287-E290 PolarHBondContact OG1-N 2.96Å; T287-E290 PolarHBondContact OG1-OE2 2.82Å; T287-I291 PolarHBondContact O-N 3.45Å; T287-I291 VanDerWaalsContact O-N 3.13Å
288	V	95.1	Very high	85.4	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-58.3	-37.8	175.5	177.8	0	0	0	0	111	I291 T292 Y319 V323 D327 V328	V288-I291 WeakPolarHBondContact O-CG1 3.29Å; V288-T292 VanDerWaalsContact O-CB 3.26Å; V288-T292 WeakPolarHBondContact O-CB 3.37Å; V288-T292 PolarHBondContact O-N 3.23Å; V288-T292 PolarHBondContact O-OG1 3.23Å; V288-Y319 HydrophobicContact CG1-CE1 3.93Å; V288-V323 HydrophobicContact CG1-CG1 4.35Å; V288-V323 HydrophobicContact CG2-CG1 4.03Å; V288-V323 HydrophobicContact CG2-CG2 4.39Å; V288-D327 HydrophobicContact CB-CB 4.05Å; V288-D327 HydrophobicContact CG1-CB 4.28Å; V288-D327 HydrophobicContact CG2-CB 4.15Å; V288-V328 HydrophobicContact CG1-CG2 3.86Å
289	A	95.4	Very high	85.7	Confident	49 Å²	49	71.1 Å²	71.1	41%	0.405	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-39.1	179.9	0	0	0	0	0	112.9	T287 T293 A331	T287-A289 PolarHBondContact O-N 2.97Å; A289-T293 WeakPolarHBondContact O-CB 3.36Å; A289-T293 PolarHBondContact O-N 2.99Å; A289-T293 PolarHBondContact O-OG1 2.71Å; A289-A331 HydrophobicContact CB-CB 4.39Å
290	E	94.5	Very high	86.3	Confident	96 Å²	96	63.7 Å²	63.7	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-68.4	-50.3	178.7	-72.9	160.8	150.9	0	0	111.3	L286 T287 T292 T293 A294	L286-E290 HydrophobicContact CD2-CB 4.29Å; T287-E290 WeakPolarHBondContact CB-OE2 3.31Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.46Å; T287-E290 PolarHBondContact N-OE2 3.05Å; T287-E290 PolarHBondContact O-N 3.29Å; T287-E290 VanDerWaalsContact OG1-CD 3.27Å; T287-E290 WeakPolarHBondContact OG1-CG 3.48Å; T287-E290 PolarHBondContact OG1-N 2.96Å; T287-E290 PolarHBondContact OG1-OE2 2.82Å; E290-T292 VanDerWaalsContact C-N 3.27Å; E290-T292 PolarHBondContact O-N 2.98Å; E290-T293 PolarHBondContact O-N 3.5Å; E290-T293 VanDerWaalsContact O-N 3.13Å; E290-A294 PolarHBondContact O-N 2.8Å
291	I	95.6	Very high	87	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-35	178.8	68.6	179.7	0	0	0	111.7	P274 L286 T287 V288 A294 C295 Y319 R373 V375	P274-I291 HydrophobicContact CB-CG2 4.37Å; P274-I291 HydrophobicContact CG-CG2 4.23Å; L286-I291 HydrophobicContact CB-CG2 3.61Å; L286-I291 HydrophobicContact CD1-CG2 4.12Å; T287-I291 PolarHBondContact O-N 3.45Å; T287-I291 VanDerWaalsContact O-N 3.13Å; V288-I291 WeakPolarHBondContact O-CG1 3.29Å; I291-A294 PolarHBondContact O-N 2.87Å; I291-C295 PolarHBondContact O-N 3.38Å; I291-Y319 HydrophobicContact CD1-CD1 4.35Å; I291-Y319 HydrophobicContact CD1-CE1 4.36Å; I291-R373 HydrophobicContact CD1-CB 4.34Å; I291-R373 HydrophobicContact CD1-CG 4.01Å; I291-V375 HydrophobicContact CB-CG1 3.88Å; I291-V375 HydrophobicContact CD1-CB 4.36Å; I291-V375 HydrophobicContact CD1-CG1 3.98Å; I291-V375 HydrophobicContact CG1-CG1 3.74Å
292	T	95.8	Very high	88.1	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-67.8	-39	176	-54.4	0	0	0	0	111	V288 E290 C295 F296 L317 Y319 A331 I335	V288-T292 VanDerWaalsContact O-CB 3.26Å; V288-T292 WeakPolarHBondContact O-CB 3.37Å; V288-T292 PolarHBondContact O-N 3.23Å; V288-T292 PolarHBondContact O-OG1 3.23Å; E290-T292 VanDerWaalsContact C-N 3.27Å; E290-T292 PolarHBondContact O-N 2.98Å; T292-C295 WeakPolarHBondContact O-CB 3.15Å; T292-C295 PolarHBondContact O-N 3Å; T292-F296 WeakPolarHBondContact O-CD2 3.47Å; T292-L317 HydrophobicContact CG2-CD1 4.24Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.38Å; T292-Y319 PolarHBondContact OG1-OH 2.98Å; T292-A331 HydrophobicContact CG2-CB 4.08Å; T292-I335 HydrophobicContact CG2-CG1 4.09Å
293	T	94.1	Very high	89.5	Confident	41 Å²	41	47.4 Å²	47.4	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-40.8	175.3	-64.4	0	0	0	0	111.5	A289 E290 C295 F296 K338	A289-T293 WeakPolarHBondContact O-CB 3.36Å; A289-T293 PolarHBondContact O-N 2.99Å; A289-T293 PolarHBondContact O-OG1 2.71Å; E290-T293 PolarHBondContact O-N 3.5Å; E290-T293 VanDerWaalsContact O-N 3.13Å; T293-C295 PolarHBondContact O-N 3.13Å; T293-F296 PolarHBondContact O-N 3.2Å; T293-K338 VanDerWaalsContact CG2-NZ 3.29Å
294	A	94.4	Very high	90.8	Very high	20 Å²	20	42.8 Å²	42.8	17%	0.165	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-27.8	177.3	0	0	0	0	0	112.9	A273 E290 I291 F296 E297 N300	A273-A294 HydrophobicContact CB-CB 3.78Å; E290-A294 PolarHBondContact O-N 2.8Å; I291-A294 PolarHBondContact O-N 2.87Å; A294-F296 PolarHBondContact O-N 3.19Å; A294-E297 WeakPolarHBondContact O-CB 3.4Å; A294-E297 PolarHBondContact O-N 3.02Å; A294-N300 PolarHBondContact O-ND2 3Å
295	C	94.6	Very high	92	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.4	173.3	-71.9	0	0	0	0	114.3	T271 I291 T292 T293 V375 M377	T271-C295 HydrophobicContact CG2-CB 4.33Å; T271-C295 VanDerWaalsContact CG2-O 3.28Å; T271-C295 WeakPolarHBondContact CG2-O 3.32Å; I291-C295 PolarHBondContact O-N 3.38Å; T292-C295 WeakPolarHBondContact O-CB 3.15Å; T292-C295 PolarHBondContact O-N 3Å; T293-C295 PolarHBondContact O-N 3.13Å; C295-V375 WeakPolarHBondContact SG-CG1 3.34Å; C295-M377 HydrophobicContact CB-CB 3.83Å; C295-M377 HydrophobicContact CB-CE 4.26Å; C295-M377 HydrophobicContact CB-CG 4.44Å; C295-M377 HydrophobicContact CB-SD 3.82Å; C295-M377 WeakPolarHBondContact O-CE 3.37Å
296	F	92.1	Very high	92.9	Very high	26 Å²	26	31 Å²	31	11%	0.114	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.5	177.4	-69.1	-84.4	0	0	0	112.7	T292 T293 A294 I335 I341 F351 M377	T292-F296 WeakPolarHBondContact O-CD2 3.47Å; T293-F296 PolarHBondContact O-N 3.2Å; A294-F296 PolarHBondContact O-N 3.19Å; F296-I335 HydrophobicContact CD2-CD1 3.97Å; F296-I335 HydrophobicContact CD2-CG1 4.25Å; F296-I335 HydrophobicContact CD2-CG2 3.87Å; F296-I335 HydrophobicContact CE1-CG2 4.23Å; F296-I335 HydrophobicContact CE2-CB 4.47Å; F296-I335 HydrophobicContact CE2-CD1 4.43Å; F296-I335 HydrophobicContact CE2-CG1 4.2Å; F296-I335 HydrophobicContact CE2-CG2 3.47Å; F296-I335 VanDerWaalsContact CE2-CG2 3.47Å; F296-I335 HydrophobicContact CG-CG2 4.41Å; F296-I335 HydrophobicContact CZ-CG2 3.68Å; F296-I341 HydrophobicContact CB-CD1 4.16Å; F296-I341 HydrophobicContact CD1-CD1 3.46Å; F296-I341 VanDerWaalsContact CD1-CD1 3.46Å; F296-I341 HydrophobicContact CD1-CG1 4.02Å; F296-I341 HydrophobicContact CD2-CD1 4.27Å; F296-I341 HydrophobicContact CE1-CD1 3.9Å; F296-I341 HydrophobicContact CE1-CG2 4.24Å; F296-I341 HydrophobicContact CG-CD1 3.68Å; F296-I341 HydrophobicContact CZ-CD1 4.48Å; F296-F351 HydrophobicContact CE1-CZ 4.43Å; F296-F351 HydrophobicContact CE2-CE1 4.3Å; F296-F351 AromaticContact CZ-CE1 3.66Å; F296-F351 HydrophobicContact CZ-CE1 3.66Å; F296-F351 AromaticContact CZ-CZ 3.75Å; F296-F351 HydrophobicContact CZ-CZ 3.75Å; F296-M377 HydrophobicContact CD1-CE 4.36Å; F296-M377 HydrophobicContact CD1-SD 4.27Å; F296-M377 HydrophobicContact CD2-SD 4.27Å; F296-M377 HydrophobicContact CE1-CE 4.21Å; F296-M377 HydrophobicContact CE1-SD 3.72Å; F296-M377 HydrophobicContact CE2-SD 3.69Å; F296-M377 HydrophobicContact CZ-CE 4.43Å; F296-M377 HydrophobicContact CZ-SD 3.37Å; F296-M377 WeakPolarHBondContact CZ-SD 3.35Å
297	E	91.7	Very high	92.9	Very high	92 Å²	92	29.2 Å²	29.2	43%	0.43	17%	0.17	S	C	.	.	S	Bend	trans	-86	125.8	173.5	-65.1	-176.4	173.8	0	0	110	A294 A299 N300	A294-E297 WeakPolarHBondContact O-CB 3.4Å; A294-E297 PolarHBondContact O-N 3.02Å; E297-A299 PolarHBondContact O-N 3.14Å; E297-N300 PolarHBondContact O-N 3.42Å; E297-N300 VanDerWaalsContact O-N 3.09Å
298	P	90.8	Very high	92.6	Very high	48 Å²	48	33.3 Å²	33.3	31%	0.312	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-54.6	-28.7	179.4	-28.7	36.1	0	0	0	114.2	N300 Q301	P298-N300 PolarHBondContact O-N 3.41Å; P298-Q301 WeakPolarHBondContact O-CB 3.44Å; P298-Q301 PolarHBondContact O-N 3.48Å
299	A	91.4	Very high	92.3	Very high	46 Å²	46	40 Å²	40	38%	0.38	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-66.4	-21.3	-176.9	0	0	0	0	0	113.5	I212 R215 E297	I212-A299 WeakPolarHBondContact CG1-O 3.31Å; R215-A299 PolarHBondContact NH2-O 2.86Å; E297-A299 PolarHBondContact O-N 3.14Å
300	N	93.4	Very high	92.1	Very high	10 Å²	10	38 Å²	38	5%	0.053	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-99.6	0.9	-178.5	-57.6	-35.9	0	0	0	113.1	R215 T271 A294 E297 P298	R215-N300 PolarHBondContact NH2-OD1 2.78Å; T271-N300 HydrophobicContact CG2-CB 3.85Å; T271-N300 VanDerWaalsContact CG2-O 3.29Å; T271-N300 WeakPolarHBondContact CG2-O 3.31Å; A294-N300 PolarHBondContact O-ND2 3Å; E297-N300 PolarHBondContact O-N 3.42Å; E297-N300 VanDerWaalsContact O-N 3.09Å; P298-N300 PolarHBondContact O-N 3.41Å
301	Q	93.6	Very high	92	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-75.2	147.2	-178.3	-72.2	166.5	9	0	0	111.6	A208 L269 T271 P298 V303 C305	A208-Q301 WeakPolarHBondContact CB-O 3.24Å; L269-Q301 HydrophobicContact CD1-CB 4.38Å; L269-Q301 HydrophobicContact CD2-CG 3.99Å; T271-Q301 HydrophobicContact CG2-CG 4.27Å; T271-Q301 WeakPolarHBondContact OG1-CG 3.43Å; P298-Q301 WeakPolarHBondContact O-CB 3.44Å; P298-Q301 PolarHBondContact O-N 3.48Å; Q301-V303 VanDerWaalsContact C-N 3.33Å; Q301-C305 PolarHBondContact OE1-O 3.05Å
302	M	92.2	Very high	91.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-87.9	-2.8	179.8	-57.9	-58.7	159	0	0	113.2	D205 I209 I212 I234 T270	D205-M302 WeakPolarHBondContact CA-O 3.33Å; D205-M302 WeakPolarHBondContact CB-O 3.39Å; D205-M302 PolarHBondContact N-O 2.91Å; I209-M302 HydrophobicContact CG1-SD 3.95Å; I212-M302 HydrophobicContact CD1-CE 4.06Å; I212-M302 HydrophobicContact CD1-SD 4.02Å; I234-M302 HydrophobicContact CD1-CE 3.26Å; I234-M302 HydrophobicContact CD1-CG 3.86Å; I234-M302 HydrophobicContact CD1-SD 3.36Å; I234-M302 WeakPolarHBondContact CD1-SD 3.21Å; I234-M302 HydrophobicContact CG1-CE 3.99Å; T270-M302 HydrophobicContact CG2-CG 4.21Å; T270-M302 VanDerWaalsContact O-CB 3.26Å; T270-M302 WeakPolarHBondContact O-CB 3.23Å; T270-M302 WeakPolarHBondContact O-CG 3.13Å; T270-M302 PolarHBondContact O-N 2.92Å
303	V	92.4	Very high	91.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-132.6	135.2	171.6	-176.6	0	0	0	0	107.7	M203 D205 L269 Q301 C305 A387	M203-V303 HydrophobicContact CB-CG2 3.77Å; M203-V303 WeakPolarHBondContact O-CG2 3.16Å; D205-V303 HydrophobicContact CB-CB 4.38Å; D205-V303 HydrophobicContact CB-CG1 4.42Å; D205-V303 HydrophobicContact CB-CG2 4.42Å; L269-V303 HydrophobicContact CD1-CB 3.54Å; L269-V303 HydrophobicContact CD1-CG2 3.91Å; Q301-V303 VanDerWaalsContact C-N 3.33Å; V303-C305 PolarHBondContact O-N 2.87Å; V303-A387 HydrophobicContact CG1-CB 3.92Å
304	K	91	Very high	91.5	Very high	63 Å²	63	33.1 Å²	33.1	27%	0.274	17%	0.168	S	C	.	.			trans	-72.4	99.6	174.7	-70.3	-166.4	174.1	-170.4	0	110.4	D205 E207 A208 D211 R390	D205-K304 PolarHBondContact OD2-N 2.91Å; E207-K304 HydrophobicContact CB-CD 4.25Å; E207-K304 HydrophobicContact CG-CD 4.27Å; E207-K304 IonicContact OE1-NZ 2.75Å; E207-K304 PolarHBondContact OE1-NZ 3.3Å; A208-K304 HydrophobicContact CB-CG 4.07Å; D211-K304 WeakPolarHBondContact OD2-CE 3.17Å; D211-K304 IonicContact OD2-NZ 3.61Å; D211-K304 PolarHBondContact OD2-NZ 2.81Å; K304-R390 VanDerWaalsContact O-CZ 3.25Å; K304-R390 PolarHBondContact O-NH1 2.92Å; K304-R390 PolarHBondContact O-NH2 2.81Å
305	C	90.7	Very high	91.4	Very high	12 Å²	12	32.2 Å²	32.2	8%	0.081	16%	0.16	C	C	.	.			trans	-148	164.6	164.2	54.9	0	0	0	0	108.7	Q301 V303 P307 A383 E386	Q301-C305 PolarHBondContact OE1-O 3.05Å; V303-C305 PolarHBondContact O-N 2.87Å; C305-P307 WeakPolarHBondContact O-CD 3.27Å; C305-A383 HydrophobicContact CB-CB 4.33Å; C305-A383 WeakPolarHBondContact CB-O 3.41Å; C305-E386 VanDerWaalsContact CA-OE2 3.32Å; C305-E386 WeakPolarHBondContact CA-OE2 3.44Å; C305-E386 HydrophobicContact CB-CB 4.28Å
306	D	90.1	Very high	91.2	Very high	30 Å²	30	32.3 Å²	32.3	16%	0.16	16%	0.161	C	C	.	.			trans	-104.6	103.9	170.6	-162.2	-23.2	0	0	0	110.9	R308 H309 A383 E386	D306-R308 PolarHBondContact O-N 2.85Å; D306-R308 VanDerWaalsContact OD1-CB 3.22Å; D306-R308 WeakPolarHBondContact OD1-CB 3.39Å; D306-R308 WeakPolarHBondContact OD1-CG 3.35Å; D306-R308 IonicContact OD1-CZ 3.75Å; D306-R308 PolarHBondContact OD1-N 3.22Å; D306-R308 IonicContact OD1-NE 3.7Å; D306-R308 PolarHBondContact OD1-NE 3.05Å; D306-R308 IonicContact OD1-NH2 2.63Å; D306-R308 IonicContact OD2-CZ 3.86Å; D306-R308 IonicContact OD2-NE 3.53Å; D306-R308 PolarHBondContact OD2-NE 3.33Å; D306-R308 IonicContact OD2-NH2 3.74Å; D306-R308 PolarHBondContact OD2-NH2 3.34Å; D306-H309 PolarHBondContact O-N 3.05Å; D306-A383 WeakPolarHBondContact O-CB 3.31Å; D306-E386 PolarHBondContact N-OE2 3.24Å
307	P	88.5	Confident	91.3	Very high	7 Å²	7	31.1 Å²	31.1	5%	0.045	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-63.2	-12.9	178.2	-17.3	27.5	0	0	0	114.4	L269 C305 H309 G310 Y312 A383	L269-P307 HydrophobicContact CD2-CG 4.17Å; C305-P307 WeakPolarHBondContact O-CD 3.27Å; P307-H309 PolarHBondContact O-N 3.21Å; P307-G310 PolarHBondContact O-N 3.16Å; P307-G310 VanDerWaalsContact O-N 3.17Å; P307-Y312 HydrophobicContact CB-CE1 4.5Å; P307-Y312 HydrophobicContact CB-CE2 4.21Å; P307-Y312 WeakPolarHBondContact CB-OH 3.4Å; P307-A383 HydrophobicContact CB-CB 4.49Å
308	R	88.3	Confident	91.4	Very high	151 Å²	151	27.2 Å²	27.2	57%	0.57	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-70.6	-19.1	174.9	-63.8	170.7	-78.2	-175.3	0.7	112.3	D306	D306-R308 PolarHBondContact O-N 2.85Å; D306-R308 VanDerWaalsContact OD1-CB 3.22Å; D306-R308 WeakPolarHBondContact OD1-CB 3.39Å; D306-R308 WeakPolarHBondContact OD1-CG 3.35Å; D306-R308 IonicContact OD1-CZ 3.75Å; D306-R308 PolarHBondContact OD1-N 3.22Å; D306-R308 IonicContact OD1-NE 3.7Å; D306-R308 PolarHBondContact OD1-NE 3.05Å; D306-R308 IonicContact OD1-NH2 2.63Å; D306-R308 IonicContact OD2-CZ 3.86Å; D306-R308 IonicContact OD2-NE 3.53Å; D306-R308 PolarHBondContact OD2-NE 3.33Å; D306-R308 IonicContact OD2-NH2 3.74Å; D306-R308 PolarHBondContact OD2-NH2 3.34Å
309	H	88.8	Confident	91.5	Very high	142 Å²	142	25 Å²	25	66%	0.657	12%	0.123	S	C	*	.	G	3₁₀ helix	trans	-91.8	-2.1	172.4	-55.3	151	0	0	0	112.9	D306 P307 E386	D306-H309 PolarHBondContact O-N 3.05Å; P307-H309 PolarHBondContact O-N 3.21Å; H309-E386 IonicContact CG-OE1 3.25Å; H309-E386 IonicContact ND1-OE1 2.64Å; H309-E386 PolarHBondContact ND1-OE1 2.98Å
310	G	90.3	Very high	91.6	Very high	7 Å²	7	23 Å²	23	7%	0.072	11%	0.106	C	C	.	.	S	Bend	trans	-120.1	-180	180	0	0	0	0	0	112.8	P307 T382	P307-G310 PolarHBondContact O-N 3.16Å; P307-G310 VanDerWaalsContact O-N 3.17Å; G310-T382 VanDerWaalsContact CA-OG1 3.29Å; G310-T382 WeakPolarHBondContact CA-OG1 3.49Å
311	K	91.8	Very high	91.5	Very high	21 Å²	21	22.5 Å²	22.5	9%	0.091	10%	0.103	C	C	.	.			trans	-117.2	144.9	172.4	-66.1	-179.6	-177.7	166.6	0	109.7	Q342 V344 T381 T382 G436 D438	K311-Q342 WeakPolarHBondContact CA-O 3.27Å; K311-V344 HydrophobicContact CB-CG1 3.82Å; K311-V344 HydrophobicContact CD-CG1 4.48Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.47Å; K311-T381 PolarHBondContact O-OG1 3.44Å; K311-T382 PolarHBondContact N-OG1 2.98Å; K311-T382 PolarHBondContact O-N 3.37Å; K311-G436 WeakPolarHBondContact CD-O 3.43Å; K311-G436 VanDerWaalsContact CE-O 3.28Å; K311-G436 WeakPolarHBondContact CE-O 3.29Å; K311-G436 PolarHBondContact NZ-O 2.99Å; K311-D438 IonicContact NZ-OD1 3.81Å; K311-D438 PolarHBondContact NZ-OD1 3.31Å; K311-D438 IonicContact NZ-OD2 3.77Å; K311-D438 PolarHBondContact NZ-OD2 3.04Å
312	Y	92.3	Very high	91.4	Very high	6 Å²	6	27 Å²	27	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.6	174.1	-71.2	-79.9	0	0	0	110	P307 I341 Q342 F343 V344 T381	P307-Y312 HydrophobicContact CB-CE1 4.5Å; P307-Y312 HydrophobicContact CB-CE2 4.21Å; P307-Y312 WeakPolarHBondContact CB-OH 3.4Å; Y312-I341 HydrophobicContact CD2-CG2 3.91Å; Y312-I341 HydrophobicContact CE2-CG2 3.96Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.31Å; Y312-Q342 PolarHBondContact N-O 3.04Å; Y312-F343 VanDerWaalsContact O-CA 3.27Å; Y312-F343 WeakPolarHBondContact O-CA 3.07Å; Y312-F343 WeakPolarHBondContact O-CD1 3.26Å; Y312-V344 PolarHBondContact O-N 3.49Å; Y312-T381 HydrophobicContact CE1-CG2 4.43Å
313	M	92.1	Very high	91.4	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-39.9	171.4	-67	166.6	-90.2	0	0	111.1	P261 I265 V344 W346 C347 N380 T382 Y432 V435	P261-M313 HydrophobicContact CG-CB 4.08Å; P261-M313 HydrophobicContact CG-CG 4.39Å; P261-M313 HydrophobicContact CG-SD 3.82Å; I265-M313 HydrophobicContact CG2-CE 3.64Å; I265-M313 HydrophobicContact CG2-SD 3.78Å; M313-V344 HydrophobicContact CG-CG1 4.05Å; M313-V344 HydrophobicContact CG-CG2 4.45Å; M313-W346 HydrophobicContact CB-CH2 4.05Å; M313-W346 HydrophobicContact CB-CZ2 4.46Å; M313-W346 HydrophobicContact CG-CH2 4.07Å; M313-W346 HydrophobicContact CG-CZ2 4.01Å; M313-C347 PolarHBondContact O-SG 3.44Å; M313-N380 HydrophobicContact CB-CB 4.44Å; M313-N380 HydrophobicContact CE-CB 4.34Å; M313-N380 WeakPolarHBondContact CE-OD1 3.38Å; M313-N380 PolarHBondContact N-O 2.85Å; M313-T382 HydrophobicContact CE-CG2 3.99Å; M313-Y432 HydrophobicContact CE-CE1 4.26Å; M313-V435 HydrophobicContact CG-CG1 3.84Å; M313-V435 HydrophobicContact SD-CG1 3.62Å
314	A	91	Very high	91.4	Very high	7 Å²	7	29 Å²	29	6%	0.058	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.9	-178.8	0	0	0	0	0	110.8	N258 L259 S379 N380	N258-A314 VanDerWaalsContact O-CB 3.23Å; N258-A314 WeakPolarHBondContact O-CB 3.48Å; L259-A314 HydrophobicContact CD2-CB 4.35Å; A314-S379 CarbonylContact O-C 3.52Å; A314-S379 VanDerWaalsContact O-CA 3.24Å; A314-S379 WeakPolarHBondContact O-CA 2.99Å; A314-N380 HydrophobicContact CB-CB 4.31Å; A314-N380 PolarHBondContact N-O 3.35Å; A314-N380 PolarHBondContact O-N 3.47Å
315	C	91.8	Very high	91.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	124.3	176.7	-173.9	0	0	0	0	110.2	F343 G350 F351 K352 M377 L378	C315-F343 HydrophobicContact CB-CE1 4.29Å; C315-F343 HydrophobicContact CB-CZ 4.16Å; C315-G350 CarbonylContact C-O 3.58Å; C315-G350 WeakPolarHBondContact CA-O 3.26Å; C315-G350 PolarHBondContact N-O 2.78Å; C315-F351 HydrophobicContact CB-CD1 4.01Å; C315-F351 HydrophobicContact CB-CE1 4.05Å; C315-F351 HydrophobicContact CB-CG 4.49Å; C315-F351 CarbonylContact O-C 3.59Å; C315-F351 VanDerWaalsContact O-CA 3.27Å; C315-F351 WeakPolarHBondContact O-CA 3.32Å; C315-F351 WeakPolarHBondContact SG-CE1 3.08Å; C315-K352 PolarHBondContact O-N 2.86Å; C315-M377 VanDerWaalsContact SG-SD 3.63Å; C315-L378 CarbonylContact C-O 3.53Å; C315-L378 WeakPolarHBondContact CA-O 3.39Å
316	C	91.8	Very high	91.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.02	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.4	174.3	-169.6	0	0	0	0	109.3	L259 K352 M377 L378	L259-C316 HydrophobicContact CD2-CB 3.86Å; C316-K352 CarbonylContact C-O 3.58Å; C316-K352 WeakPolarHBondContact CA-O 3.39Å; C316-K352 HydrophobicContact CB-CB 4.21Å; C316-M377 CarbonylContact O-C 3.57Å; C316-M377 WeakPolarHBondContact O-CA 3.5Å; C316-L378 HydrophobicContact CB-CB 4.33Å; C316-L378 PolarHBondContact N-O 3.09Å; C316-L378 PolarHBondContact O-N 3.27Å
317	L	93.1	Very high	91.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.5	177	-67.7	165.7	0	0	0	109	T292 Y319 I332 F351 K352 V353 G354 V375 M377	T292-L317 HydrophobicContact CG2-CD1 4.24Å; L317-Y319 HydrophobicContact CB-CD2 4.2Å; L317-Y319 HydrophobicContact CB-CE2 3.56Å; L317-Y319 HydrophobicContact CD1-CE2 4.31Å; L317-Y319 HydrophobicContact CG-CE2 4.48Å; L317-I332 HydrophobicContact CD1-CD1 3.87Å; L317-I332 HydrophobicContact CD1-CG1 3.76Å; L317-F351 HydrophobicContact CD1-CD1 3.81Å; L317-F351 HydrophobicContact CD1-CE1 4Å; L317-F351 HydrophobicContact CG-CD1 4.4Å; L317-K352 PolarHBondContact N-O 3.09Å; L317-V353 WeakPolarHBondContact O-CA 3.36Å; L317-G354 PolarHBondContact O-N 3.13Å; L317-V375 HydrophobicContact CB-CG2 4.3Å; L317-V375 HydrophobicContact CD2-CG2 3.93Å; L317-M377 HydrophobicContact CD2-CB 3.77Å; L317-M377 HydrophobicContact CD2-CG 3.66Å; L317-M377 HydrophobicContact CD2-SD 4.04Å
318	L	93.4	Very high	92.1	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	95.3	-179.7	-57.2	176.5	0	0	0	109.3	F255 V375 C376 L378	F255-L318 HydrophobicContact CE1-CD1 4.29Å; F255-L318 HydrophobicContact CZ-CD1 4.42Å; L318-V375 WeakPolarHBondContact O-CA 3.44Å; L318-C376 HydrophobicContact CB-CB 4.29Å; L318-C376 WeakPolarHBondContact CB-O 3.26Å; L318-C376 PolarHBondContact N-O 2.65Å; L318-C376 PolarHBondContact O-N 3.22Å; L318-L378 HydrophobicContact CD1-CD1 3.85Å; L318-L378 HydrophobicContact CD1-CG 4.4Å
319	Y	94.3	Very high	92.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.1	178.3	-66.8	-88.3	0	0	0	111.7	V288 I291 T292 L317 V323 V328 V353 G354 I355 N356 A374 V375	V288-Y319 HydrophobicContact CG1-CE1 3.93Å; I291-Y319 HydrophobicContact CD1-CD1 4.35Å; I291-Y319 HydrophobicContact CD1-CE1 4.36Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.38Å; T292-Y319 PolarHBondContact OG1-OH 2.98Å; L317-Y319 HydrophobicContact CB-CD2 4.2Å; L317-Y319 HydrophobicContact CB-CE2 3.56Å; L317-Y319 HydrophobicContact CD1-CE2 4.31Å; L317-Y319 HydrophobicContact CG-CE2 4.48Å; Y319-V323 HydrophobicContact CD1-CG1 3.99Å; Y319-V323 HydrophobicContact CD1-CG2 4.3Å; Y319-V323 HydrophobicContact CG-CG1 4.01Å; Y319-V328 HydrophobicContact CD1-CG2 4.41Å; Y319-V328 HydrophobicContact CD2-CG1 4.13Å; Y319-V328 HydrophobicContact CD2-CG2 3.98Å; Y319-V328 HydrophobicContact CE1-CG2 4.27Å; Y319-V328 HydrophobicContact CE2-CB 4.24Å; Y319-V328 HydrophobicContact CE2-CG1 3.39Å; Y319-V328 HydrophobicContact CE2-CG2 3.81Å; Y319-V328 HydrophobicContact CG-CG2 4.28Å; Y319-V353 HydrophobicContact CD2-CG1 4.11Å; Y319-V353 HydrophobicContact CE2-CG1 4.21Å; Y319-G354 PolarHBondContact N-O 3.11Å; Y319-I355 HydrophobicContact CD2-CG1 4.48Å; Y319-N356 PolarHBondContact O-N 3.19Å; Y319-A374 CarbonylContact C-O 3.42Å; Y319-A374 WeakPolarHBondContact CA-O 3.43Å; Y319-V375 HydrophobicContact CD1-CB 3.67Å; Y319-V375 HydrophobicContact CD1-CG2 3.85Å; Y319-V375 HydrophobicContact CD2-CG2 4.4Å; Y319-V375 HydrophobicContact CE1-CB 3.74Å; Y319-V375 HydrophobicContact CE1-CG1 4.33Å; Y319-V375 HydrophobicContact CE1-CG2 3.7Å; Y319-V375 HydrophobicContact CE2-CG2 4.27Å; Y319-V375 HydrophobicContact CG-CB 4.34Å; Y319-V375 HydrophobicContact CG-CG2 4.2Å
320	R	92.8	Very high	92.6	Very high	3 Å²	3	32 Å²	32	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.7	171.6	-65.7	-167	69.2	178	1.9	111.2	E27 S236 N356 P360 R373 A374	E27-R320 IonicContact OE1-CZ 3.82Å; E27-R320 IonicContact OE1-NH1 2.76Å; E27-R320 PolarHBondContact OE1-NH1 3.12Å; E27-R320 IonicContact OE1-NH2 3.19Å; E27-R320 IonicContact OE2-CZ 3.6Å; E27-R320 IonicContact OE2-NH1 3.9Å; E27-R320 IonicContact OE2-NH2 2.7Å; E27-R320 PolarHBondContact OE2-NH2 3.45Å; S236-R320 PolarHBondContact OG-NH1 2.98Å; R320-N356 CarbonylContact C-O 3.55Å; R320-N356 WeakPolarHBondContact CA-O 3.45Å; R320-N356 HydrophobicContact CG-CB 4.3Å; R320-P360 HydrophobicContact CB-CG 4.03Å; R320-R373 CarbonylContact O-C 3.55Å; R320-R373 WeakPolarHBondContact O-CA 3.35Å; R320-A374 PolarHBondContact N-O 3.13Å; R320-A374 PolarHBondContact O-N 2.78Å
321	G	91.9	Very high	92.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.8	-149.1	173.4	0	0	0	0	0	114.8	V323 N356 Q358 Q372	G321-V323 PolarHBondContact O-N 2.94Å; G321-N356 PolarHBondContact N-O 3.3Å; G321-Q358 PolarHBondContact N-O 3.29Å; G321-Q358 VanDerWaalsContact N-O 3.09Å; G321-Q372 WeakPolarHBondContact CA-O 3.42Å
322	D	91.6	Very high	92.8	Very high	98 Å²	98	31.4 Å²	31.4	52%	0.524	18%	0.178	S	C	.	.	S	Bend	trans	-73.8	85.8	-177.5	177	39.4	0	0	0	111.2	Q372 R373	D322-Q372 PolarHBondContact N-O 3.01Å; D322-R373 PolarHBondContact O-NE 3.37Å; D322-R373 PolarHBondContact O-NH2 3.15Å; D322-R373 IonicContact OD2-CZ 3.78Å; D322-R373 IonicContact OD2-NH2 3.81Å; D322-R373 PolarHBondContact OD2-NH2 3.23Å
323	V	92.8	Very high	92.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	20%	0.196	C	C	.	.			trans	-133.2	117	-175.2	179.4	0	0	0	0	110.3	V288 Y319 G321 V328 I355 R373	V288-V323 HydrophobicContact CG1-CG1 4.35Å; V288-V323 HydrophobicContact CG2-CG1 4.03Å; V288-V323 HydrophobicContact CG2-CG2 4.39Å; Y319-V323 HydrophobicContact CD1-CG1 3.99Å; Y319-V323 HydrophobicContact CD1-CG2 4.3Å; Y319-V323 HydrophobicContact CG-CG1 4.01Å; G321-V323 PolarHBondContact O-N 2.94Å; V323-V328 HydrophobicContact CG1-CG2 3.33Å; V323-I355 HydrophobicContact CB-CG2 4.33Å; V323-R373 HydrophobicContact CG2-CB 3.8Å
324	A	92.1	Very high	92.8	Very high	40 Å²	40	37.3 Å²	37.3	33%	0.331	22%	0.219	S	C	.	.			trans	-84.2	131.6	174.8	0	0	0	0	0	111.1	K326 D327 V328	A324-K326 PolarHBondContact O-N 3.38Å; A324-K326 VanDerWaalsContact O-N 3.13Å; A324-D327 PolarHBondContact O-N 3.44Å; A324-V328 PolarHBondContact O-N 3.25Å
325	P	92.1	Very high	92.8	Very high	63 Å²	63	37 Å²	37	41%	0.409	22%	0.217	S	C	.	.	H	α-helix	trans	-56.9	-31.6	178.7	-26.3	33.2	0	0	0	114.2	D327 V328 N329 I355	P325-D327 VanDerWaalsContact C-N 3.34Å; P325-D327 PolarHBondContact O-N 3.44Å; P325-V328 PolarHBondContact O-N 3.12Å; P325-N329 PolarHBondContact O-N 2.83Å; P325-N329 VanDerWaalsContact O-N 3.09Å; P325-N329 PolarHBondContact O-ND2 3.33Å; P325-I355 HydrophobicContact CB-CD1 4.16Å; P325-I355 HydrophobicContact CG-CD1 3.94Å
326	K	94	Very high	92.5	Very high	169 Å²	169	41.5 Å²	41.5	74%	0.735	24%	0.236	S	C	*	.	H	α-helix	trans	-61.5	-42.7	176.1	-177.6	-175.2	174	-171.4	0	111.8	A324 N329 A330	A324-K326 PolarHBondContact O-N 3.38Å; A324-K326 VanDerWaalsContact O-N 3.13Å; K326-N329 PolarHBondContact O-N 3.13Å; K326-A330 PolarHBondContact O-N 2.87Å; K326-A330 VanDerWaalsContact O-N 3.08Å
327	D	94.6	Very high	92.3	Very high	76 Å²	76	48 Å²	48	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-72.4	-35	-177.4	-61.7	-19.9	0	0	0	110.9	V288 A324 P325 A330 A331	V288-D327 HydrophobicContact CB-CB 4.05Å; V288-D327 HydrophobicContact CG1-CB 4.28Å; V288-D327 HydrophobicContact CG2-CB 4.15Å; A324-D327 PolarHBondContact O-N 3.44Å; P325-D327 VanDerWaalsContact C-N 3.34Å; P325-D327 PolarHBondContact O-N 3.44Å; D327-A330 PolarHBondContact O-N 3.11Å; D327-A331 WeakPolarHBondContact O-CB 3.23Å; D327-A331 PolarHBondContact O-N 3.37Å
328	V	93.8	Very high	92	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-48.7	172.6	176.6	0	0	0	0	110.9	V288 Y319 V323 A324 P325 A330 A331 I332 V353 I355	V288-V328 HydrophobicContact CG1-CG2 3.86Å; Y319-V328 HydrophobicContact CD1-CG2 4.41Å; Y319-V328 HydrophobicContact CD2-CG1 4.13Å; Y319-V328 HydrophobicContact CD2-CG2 3.98Å; Y319-V328 HydrophobicContact CE1-CG2 4.27Å; Y319-V328 HydrophobicContact CE2-CB 4.24Å; Y319-V328 HydrophobicContact CE2-CG1 3.39Å; Y319-V328 HydrophobicContact CE2-CG2 3.81Å; Y319-V328 HydrophobicContact CG-CG2 4.28Å; V323-V328 HydrophobicContact CG1-CG2 3.33Å; A324-V328 PolarHBondContact O-N 3.25Å; P325-V328 PolarHBondContact O-N 3.12Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.94Å; V328-A331 PolarHBondContact O-N 3.44Å; V328-I332 HydrophobicContact CG1-CD1 3.67Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 WeakPolarHBondContact O-CG1 3.44Å; V328-I332 PolarHBondContact O-N 2.66Å; V328-V353 HydrophobicContact CG1-CG1 3.67Å; V328-V353 HydrophobicContact CG1-CG2 4.09Å; V328-I355 HydrophobicContact CG2-CD1 4.18Å
329	N	92.3	Very high	91.4	Very high	106 Å²	106	62.4 Å²	62.4	57%	0.567	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-39.1	178.4	-73.7	-34.3	0	0	0	112.2	P325 K326 A333	P325-N329 PolarHBondContact O-N 2.83Å; P325-N329 VanDerWaalsContact O-N 3.09Å; P325-N329 PolarHBondContact O-ND2 3.33Å; K326-N329 PolarHBondContact O-N 3.13Å; N329-A333 WeakPolarHBondContact O-CB 3.45Å; N329-A333 PolarHBondContact O-N 3.48Å
330	A	94.8	Very high	90.9	Very high	55 Å²	55	65.5 Å²	65.5	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-66.8	-39.8	175.3	0	0	0	0	0	112.3	K326 D327 V328 T334	K326-A330 PolarHBondContact O-N 2.87Å; K326-A330 VanDerWaalsContact O-N 3.08Å; D327-A330 PolarHBondContact O-N 3.11Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.94Å; A330-T334 PolarHBondContact O-N 3.26Å; A330-T334 VanDerWaalsContact O-N 3.13Å; A330-T334 PolarHBondContact O-OG1 3.28Å
331	A	94.8	Very high	90.7	Very high	4 Å²	4	66.2 Å²	66.2	3%	0.033	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-47.7	175.7	0	0	0	0	0	111	A289 T292 D327 V328 A333 T334 I335	A289-A331 HydrophobicContact CB-CB 4.39Å; T292-A331 HydrophobicContact CG2-CB 4.08Å; D327-A331 WeakPolarHBondContact O-CB 3.23Å; D327-A331 PolarHBondContact O-N 3.37Å; V328-A331 PolarHBondContact O-N 3.44Å; A331-A333 PolarHBondContact O-N 3Å; A331-T334 VanDerWaalsContact O-CB 3.32Å; A331-T334 WeakPolarHBondContact O-CB 3.5Å; A331-T334 PolarHBondContact O-N 2.96Å; A331-T334 VanDerWaalsContact O-N 3.1Å; A331-I335 WeakPolarHBondContact O-CG1 3.41Å; A331-I335 PolarHBondContact O-N 2.68Å
332	I	92.6	Very high	90.4	Very high	11 Å²	11	71.3 Å²	71.3	6%	0.056	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-42.6	178.2	-67.4	169.4	0	0	0	111.3	L317 V328 T334 I335 K336 F351 V353	L317-I332 HydrophobicContact CD1-CD1 3.87Å; L317-I332 HydrophobicContact CD1-CG1 3.76Å; V328-I332 HydrophobicContact CG1-CD1 3.67Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 WeakPolarHBondContact O-CG1 3.44Å; V328-I332 PolarHBondContact O-N 2.66Å; I332-T334 PolarHBondContact O-N 3.21Å; I332-I335 PolarHBondContact O-N 2.93Å; I332-K336 HydrophobicContact CG2-CD 4.08Å; I332-K336 HydrophobicContact CG2-CG 4.26Å; I332-K336 WeakPolarHBondContact O-CG 3.47Å; I332-K336 PolarHBondContact O-N 3.3Å; I332-F351 HydrophobicContact CG1-CD1 4.49Å; I332-F351 HydrophobicContact CG2-CB 4.21Å; I332-F351 HydrophobicContact CG2-CD1 4.22Å; I332-F351 HydrophobicContact CG2-CD2 4.07Å; I332-F351 HydrophobicContact CG2-CE2 4.47Å; I332-F351 HydrophobicContact CG2-CG 3.91Å; I332-V353 HydrophobicContact CD1-CG2 3.37Å
333	A	91.4	Very high	90.3	Very high	49 Å²	49	68.7 Å²	68.7	41%	0.405	36%	0.36	S	S	.	.	H	α-helix	trans	-58.3	-38.3	175.2	0	0	0	0	0	111.9	N329 A331 N337	N329-A333 WeakPolarHBondContact O-CB 3.45Å; N329-A333 PolarHBondContact O-N 3.48Å; A331-A333 PolarHBondContact O-N 3Å; A333-N337 PolarHBondContact O-N 3.26Å; A333-N337 PolarHBondContact O-ND2 3.46Å
334	T	91.9	Very high	90.1	Very high	82 Å²	82	68.7 Å²	68.7	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-66.6	-44.3	175.5	-52.3	0	0	0	0	111.9	A330 A331 I332 N337	A330-T334 PolarHBondContact O-N 3.26Å; A330-T334 VanDerWaalsContact O-N 3.13Å; A330-T334 PolarHBondContact O-OG1 3.28Å; A331-T334 VanDerWaalsContact O-CB 3.32Å; A331-T334 WeakPolarHBondContact O-CB 3.5Å; A331-T334 PolarHBondContact O-N 2.96Å; A331-T334 VanDerWaalsContact O-N 3.1Å; I332-T334 PolarHBondContact O-N 3.21Å; T334-N337 PolarHBondContact O-N 3.43Å
335	I	90.8	Very high	89.7	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-44.2	178.1	-69	-56.1	0	0	0	111.5	T292 F296 A331 I332 N337 K338 I341 F351	T292-I335 HydrophobicContact CG2-CG1 4.09Å; F296-I335 HydrophobicContact CD2-CD1 3.97Å; F296-I335 HydrophobicContact CD2-CG1 4.25Å; F296-I335 HydrophobicContact CD2-CG2 3.87Å; F296-I335 HydrophobicContact CE1-CG2 4.23Å; F296-I335 HydrophobicContact CE2-CB 4.47Å; F296-I335 HydrophobicContact CE2-CD1 4.43Å; F296-I335 HydrophobicContact CE2-CG1 4.2Å; F296-I335 HydrophobicContact CE2-CG2 3.47Å; F296-I335 VanDerWaalsContact CE2-CG2 3.47Å; F296-I335 HydrophobicContact CG-CG2 4.41Å; F296-I335 HydrophobicContact CZ-CG2 3.68Å; A331-I335 WeakPolarHBondContact O-CG1 3.41Å; A331-I335 PolarHBondContact O-N 2.68Å; I332-I335 PolarHBondContact O-N 2.93Å; I335-N337 PolarHBondContact O-N 2.95Å; I335-N337 VanDerWaalsContact O-N 3.16Å; I335-K338 HydrophobicContact CD1-CD 4.27Å; I335-K338 WeakPolarHBondContact O-CB 3.11Å; I335-K338 PolarHBondContact O-N 3.29Å; I335-I341 HydrophobicContact CB-CD1 4.44Å; I335-I341 HydrophobicContact CG2-CD1 3.36Å; I335-F351 HydrophobicContact CG2-CE1 4.42Å; I335-F351 HydrophobicContact CG2-CZ 3.8Å
336	K	86.3	Confident	89.3	Confident	96 Å²	96	72.8 Å²	72.8	42%	0.417	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-26.6	178	-76.2	-179.9	174.3	-176	0	113.8	I332 K338 F351	I332-K336 HydrophobicContact CG2-CD 4.08Å; I332-K336 HydrophobicContact CG2-CG 4.26Å; I332-K336 WeakPolarHBondContact O-CG 3.47Å; I332-K336 PolarHBondContact O-N 3.3Å; K336-K338 VanDerWaalsContact C-N 3.34Å; K336-F351 HydrophobicContact CD-CD2 4.44Å; K336-F351 HydrophobicContact CG-CD2 4.19Å; K336-F351 HydrophobicContact CG-CE2 3.84Å
337	N	86.3	Confident	88.5	Confident	139 Å²	139	66.1 Å²	66.1	74%	0.743	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.3	178.4	-69.2	-28.8	0	0	0	113.3	A333 T334 I335	A333-N337 PolarHBondContact O-N 3.26Å; A333-N337 PolarHBondContact O-ND2 3.46Å; T334-N337 PolarHBondContact O-N 3.43Å; I335-N337 PolarHBondContact O-N 2.95Å; I335-N337 VanDerWaalsContact O-N 3.16Å
338	K	86.9	Confident	86.8	Confident	74 Å²	74	67.2 Å²	67.2	32%	0.322	35%	0.35	S	S	.	.			trans	-79.9	123	177.5	-69.2	-173.6	177.4	179.6	0	110.5	T293 I335 K336 S340 I341	T293-K338 VanDerWaalsContact CG2-NZ 3.29Å; I335-K338 HydrophobicContact CD1-CD 4.27Å; I335-K338 WeakPolarHBondContact O-CB 3.11Å; I335-K338 PolarHBondContact O-N 3.29Å; K336-K338 VanDerWaalsContact C-N 3.34Å; K338-S340 PolarHBondContact O-N 3.39Å; K338-S340 VanDerWaalsContact O-N 3.14Å; K338-I341 HydrophobicContact CB-CD1 4.3Å; K338-I341 HydrophobicContact CB-CG1 4.47Å; K338-I341 PolarHBondContact O-N 3.3Å; K338-I341 VanDerWaalsContact O-N 3.15Å
339	R	82.1	Confident	85.4	Confident	238 Å²	238	72.1 Å²	72.1	90%	0.898	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.7	178.6	-65.6	-174.4	179.2	-170.9	-1.2	114.6	I341	R339-I341 PolarHBondContact O-N 3.2Å
340	S	84.3	Confident	84.3	Confident	68 Å²	68	67.6 Å²	67.6	48%	0.476	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.5	179.4	60.2	0	0	0	0	113.6	K338	K338-S340 PolarHBondContact O-N 3.39Å; K338-S340 VanDerWaalsContact O-N 3.14Å
341	I	86.7	Confident	83.9	Confident	18 Å²	18	66 Å²	66	9%	0.092	34%	0.342	C	S	.	.			trans	-112.7	104	-178.3	-59	174.8	0	0	0	106.9	F296 Y312 I335 K338 R339 F343	F296-I341 HydrophobicContact CB-CD1 4.16Å; F296-I341 HydrophobicContact CD1-CD1 3.46Å; F296-I341 VanDerWaalsContact CD1-CD1 3.46Å; F296-I341 HydrophobicContact CD1-CG1 4.02Å; F296-I341 HydrophobicContact CD2-CD1 4.27Å; F296-I341 HydrophobicContact CE1-CD1 3.9Å; F296-I341 HydrophobicContact CE1-CG2 4.24Å; F296-I341 HydrophobicContact CG-CD1 3.68Å; F296-I341 HydrophobicContact CZ-CD1 4.48Å; Y312-I341 HydrophobicContact CD2-CG2 3.91Å; Y312-I341 HydrophobicContact CE2-CG2 3.96Å; I335-I341 HydrophobicContact CB-CD1 4.44Å; I335-I341 HydrophobicContact CG2-CD1 3.36Å; K338-I341 HydrophobicContact CB-CD1 4.3Å; K338-I341 HydrophobicContact CB-CG1 4.47Å; K338-I341 PolarHBondContact O-N 3.3Å; K338-I341 VanDerWaalsContact O-N 3.15Å; R339-I341 PolarHBondContact O-N 3.2Å; I341-F343 HydrophobicContact CG2-CD2 4.21Å; I341-F343 HydrophobicContact CG2-CE2 3.7Å
342	Q	87.6	Confident	83.6	Confident	106 Å²	106	70.6 Å²	70.6	50%	0.495	36%	0.361	S	S	.	.			trans	-108.3	124.7	-178.4	-62.1	-175.2	1.6	0	0	109.1	K311 Y312	K311-Q342 WeakPolarHBondContact CA-O 3.27Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.31Å; Y312-Q342 PolarHBondContact N-O 3.04Å
343	F	89.4	Confident	83.5	Confident	43 Å²	43	71.8 Å²	71.8	19%	0.189	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-95.3	154	169.7	-78.1	-100	0	0	0	109.2	Y312 C315 I341 F351	Y312-F343 VanDerWaalsContact O-CA 3.27Å; Y312-F343 WeakPolarHBondContact O-CA 3.07Å; Y312-F343 WeakPolarHBondContact O-CD1 3.26Å; C315-F343 HydrophobicContact CB-CE1 4.29Å; C315-F343 HydrophobicContact CB-CZ 4.16Å; I341-F343 HydrophobicContact CG2-CD2 4.21Å; I341-F343 HydrophobicContact CG2-CE2 3.7Å; F343-F351 HydrophobicContact CE1-CE2 4.43Å; F343-F351 HydrophobicContact CE2-CD2 4.32Å; F343-F351 AromaticContact CE2-CE2 3.49Å; F343-F351 HydrophobicContact CE2-CE2 3.49Å; F343-F351 VanDerWaalsContact CE2-CE2 3.49Å; F343-F351 HydrophobicContact CE2-CZ 4.03Å; F343-F351 AromaticContact CZ-CD2 3.84Å; F343-F351 HydrophobicContact CZ-CD2 3.84Å; F343-F351 AromaticContact CZ-CE2 3.32Å; F343-F351 HydrophobicContact CZ-CE2 3.32Å; F343-F351 AromaticContact CZ-CZ 3.77Å; F343-F351 HydrophobicContact CZ-CZ 3.77Å
344	V	87.8	Confident	83.3	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	35%	0.352	C	S	.	.			trans	-58.6	147.1	166	-62.4	0	0	0	0	110.4	K311 Y312 M313 W346 C347 V435	K311-V344 HydrophobicContact CB-CG1 3.82Å; K311-V344 HydrophobicContact CD-CG1 4.48Å; Y312-V344 PolarHBondContact O-N 3.49Å; M313-V344 HydrophobicContact CG-CG1 4.05Å; M313-V344 HydrophobicContact CG-CG2 4.45Å; V344-W346 VanDerWaalsContact C-N 3.31Å; V344-W346 HydrophobicContact CB-CD2 4.36Å; V344-W346 HydrophobicContact CB-CZ2 4.18Å; V344-W346 HydrophobicContact CG1-CZ2 4.35Å; V344-W346 HydrophobicContact CG2-CD2 3.67Å; V344-W346 HydrophobicContact CG2-CE3 4.06Å; V344-W346 HydrophobicContact CG2-CG 4.22Å; V344-W346 HydrophobicContact CG2-CH2 3.91Å; V344-W346 HydrophobicContact CG2-CZ2 3.54Å; V344-W346 HydrophobicContact CG2-CZ3 4.17Å; V344-W346 PolarHBondContact O-N 3.13Å; V344-C347 HydrophobicContact CG2-CB 3.58Å; V344-C347 CarbonylContact O-C 3.56Å; V344-C347 PolarHBondContact O-N 3.13Å; V344-C347 VanDerWaalsContact O-N 3.1Å; V344-V435 HydrophobicContact CG1-CG1 4.28Å
345	D	84.3	Confident	83.3	Confident	79 Å²	79	66.3 Å²	66.3	42%	0.422	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.8	-173.7	59.5	-9.8	0	0	0	113.6	C347 S439	D345-C347 VanDerWaalsContact C-N 3.29Å; D345-C347 PolarHBondContact O-N 3.33Å; D345-S439 WeakPolarHBondContact OD2-CB 3.47Å; D345-S439 PolarHBondContact OD2-OG 3.14Å
346	W	82.7	Confident	83.2	Confident	110 Å²	110	66.8 Å²	66.8	42%	0.417	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.3	176.5	55.3	-98.3	0	0	0	113.9	P261 Y262 M313 V344 P348 V435	P261-W346 HydrophobicContact CB-CH2 3.52Å; P261-W346 HydrophobicContact CB-CZ3 3.96Å; P261-W346 HydrophobicContact CG-CH2 3.85Å; Y262-W346 HydrophobicContact CE2-CH2 4.26Å; Y262-W346 AromaticContact CE2-CZ2 3.88Å; Y262-W346 HydrophobicContact CE2-CZ2 3.88Å; M313-W346 HydrophobicContact CB-CH2 4.05Å; M313-W346 HydrophobicContact CB-CZ2 4.46Å; M313-W346 HydrophobicContact CG-CH2 4.07Å; M313-W346 HydrophobicContact CG-CZ2 4.01Å; V344-W346 VanDerWaalsContact C-N 3.31Å; V344-W346 HydrophobicContact CB-CD2 4.36Å; V344-W346 HydrophobicContact CB-CZ2 4.18Å; V344-W346 HydrophobicContact CG1-CZ2 4.35Å; V344-W346 HydrophobicContact CG2-CD2 3.67Å; V344-W346 HydrophobicContact CG2-CE3 4.06Å; V344-W346 HydrophobicContact CG2-CG 4.22Å; V344-W346 HydrophobicContact CG2-CH2 3.91Å; V344-W346 HydrophobicContact CG2-CZ2 3.54Å; V344-W346 HydrophobicContact CG2-CZ3 4.17Å; V344-W346 PolarHBondContact O-N 3.13Å; W346-P348 VanDerWaalsContact C-CD 3.49Å; W346-V435 HydrophobicContact CZ2-CG1 4.22Å
347	C	78.3	Confident	83.4	Confident	29 Å²	29	68.2 Å²	68.2	20%	0.196	34%	0.337	C	S	.	.			trans	-128.9	65.4	175.4	-164.3	0	0	0	0	113.1	M313 V344 D345 T349	M313-C347 PolarHBondContact O-SG 3.44Å; V344-C347 HydrophobicContact CG2-CB 3.58Å; V344-C347 CarbonylContact O-C 3.56Å; V344-C347 PolarHBondContact O-N 3.13Å; V344-C347 VanDerWaalsContact O-N 3.1Å; D345-C347 VanDerWaalsContact C-N 3.29Å; D345-C347 PolarHBondContact O-N 3.33Å; C347-T349 PolarHBondContact O-N 2.77Å; C347-T349 VanDerWaalsContact O-N 3.14Å
348	P	58.9	Low	83.4	Confident	99 Å²	99	65.5 Å²	65.5	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11	-172.5	26.9	-34	0	0	0	114.7	W346	W346-P348 VanDerWaalsContact C-CD 3.49Å
349	T	62.8	Low	83.6	Confident	105 Å²	105	65.6 Å²	65.6	64%	0.644	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	42.5	-178.2	56.5	0	0	0	0	113.5	C347 F351	C347-T349 PolarHBondContact O-N 2.77Å; C347-T349 VanDerWaalsContact O-N 3.14Å; T349-F351 PolarHBondContact O-N 2.88Å
350	G	70.6	Confident	84	Confident	10 Å²	10	54.8 Å²	54.8	10%	0.103	29%	0.288	C	S	.	.			trans	-70.5	24.7	-172	0	0	0	0	0	118.2	C315	C315-G350 CarbonylContact C-O 3.58Å; C315-G350 WeakPolarHBondContact CA-O 3.26Å; C315-G350 PolarHBondContact N-O 2.78Å
351	F	86.1	Confident	84.4	Confident	23 Å²	23	53.6 Å²	53.6	10%	0.101	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.8	177.2	-77.9	-88.4	0	0	0	112.4	F296 C315 L317 I332 I335 K336 F343 T349	F296-F351 HydrophobicContact CE1-CZ 4.43Å; F296-F351 HydrophobicContact CE2-CE1 4.3Å; F296-F351 AromaticContact CZ-CE1 3.66Å; F296-F351 HydrophobicContact CZ-CE1 3.66Å; F296-F351 AromaticContact CZ-CZ 3.75Å; F296-F351 HydrophobicContact CZ-CZ 3.75Å; C315-F351 HydrophobicContact CB-CD1 4.01Å; C315-F351 HydrophobicContact CB-CE1 4.05Å; C315-F351 HydrophobicContact CB-CG 4.49Å; C315-F351 CarbonylContact O-C 3.59Å; C315-F351 VanDerWaalsContact O-CA 3.27Å; C315-F351 WeakPolarHBondContact O-CA 3.32Å; C315-F351 WeakPolarHBondContact SG-CE1 3.08Å; L317-F351 HydrophobicContact CD1-CD1 3.81Å; L317-F351 HydrophobicContact CD1-CE1 4Å; L317-F351 HydrophobicContact CG-CD1 4.4Å; I332-F351 HydrophobicContact CG1-CD1 4.49Å; I332-F351 HydrophobicContact CG2-CB 4.21Å; I332-F351 HydrophobicContact CG2-CD1 4.22Å; I332-F351 HydrophobicContact CG2-CD2 4.07Å; I332-F351 HydrophobicContact CG2-CE2 4.47Å; I332-F351 HydrophobicContact CG2-CG 3.91Å; I335-F351 HydrophobicContact CG2-CE1 4.42Å; I335-F351 HydrophobicContact CG2-CZ 3.8Å; K336-F351 HydrophobicContact CD-CD2 4.44Å; K336-F351 HydrophobicContact CG-CD2 4.19Å; K336-F351 HydrophobicContact CG-CE2 3.84Å; F343-F351 HydrophobicContact CE1-CE2 4.43Å; F343-F351 HydrophobicContact CE2-CD2 4.32Å; F343-F351 AromaticContact CE2-CE2 3.49Å; F343-F351 HydrophobicContact CE2-CE2 3.49Å; F343-F351 VanDerWaalsContact CE2-CE2 3.49Å; F343-F351 HydrophobicContact CE2-CZ 4.03Å; F343-F351 AromaticContact CZ-CD2 3.84Å; F343-F351 HydrophobicContact CZ-CD2 3.84Å; F343-F351 AromaticContact CZ-CE2 3.32Å; F343-F351 HydrophobicContact CZ-CE2 3.32Å; F343-F351 AromaticContact CZ-CZ 3.77Å; F343-F351 HydrophobicContact CZ-CZ 3.77Å; T349-F351 PolarHBondContact O-N 2.88Å
352	K	88.4	Confident	84.6	Confident	99 Å²	99	53.8 Å²	53.8	43%	0.43	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145.8	168.1	-59.4	-65.1	-177.3	168.2	0	109.4	N258 C315 C316 L317	N258-K352 HydrophobicContact CB-CG 4.18Å; N258-K352 VanDerWaalsContact OD1-CE 3.25Å; N258-K352 WeakPolarHBondContact OD1-CE 3.25Å; C315-K352 PolarHBondContact O-N 2.86Å; C316-K352 CarbonylContact C-O 3.58Å; C316-K352 WeakPolarHBondContact CA-O 3.39Å; C316-K352 HydrophobicContact CB-CB 4.21Å; L317-K352 PolarHBondContact N-O 3.09Å
353	V	89.2	Confident	84.8	Confident	36 Å²	36	49.1 Å²	49.1	22%	0.218	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	118.8	-173.4	179.1	0	0	0	0	109.8	L248 L317 Y319 V328 I332 I355	L248-V353 WeakPolarHBondContact CD2-O 3.31Å; L317-V353 WeakPolarHBondContact O-CA 3.36Å; Y319-V353 HydrophobicContact CD2-CG1 4.11Å; Y319-V353 HydrophobicContact CE2-CG1 4.21Å; V328-V353 HydrophobicContact CG1-CG1 3.67Å; V328-V353 HydrophobicContact CG1-CG2 4.09Å; I332-V353 HydrophobicContact CD1-CG2 3.37Å; V353-I355 HydrophobicContact CG1-CD1 4.28Å; V353-I355 HydrophobicContact CG1-CG1 3.97Å
354	G	89	Confident	84.8	Confident	5 Å²	5	51.8 Å²	51.8	5%	0.052	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.2	166.8	0	0	0	0	0	110.2	L317 Y319	L317-G354 PolarHBondContact O-N 3.13Å; Y319-G354 PolarHBondContact N-O 3.11Å
355	I	90.7	Very high	84.6	Confident	12 Å²	12	55 Å²	55	6%	0.062	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.7	174.7	-54.8	175.5	0	0	0	108.9	A247 Y319 V323 P325 V328 V353 Y357	A247-I355 PolarHBondContact N-O 3.36Å; A247-I355 VanDerWaalsContact N-O 3.08Å; Y319-I355 HydrophobicContact CD2-CG1 4.48Å; V323-I355 HydrophobicContact CB-CG2 4.33Å; P325-I355 HydrophobicContact CB-CD1 4.16Å; P325-I355 HydrophobicContact CG-CD1 3.94Å; V328-I355 HydrophobicContact CG2-CD1 4.18Å; V353-I355 HydrophobicContact CG1-CD1 4.28Å; V353-I355 HydrophobicContact CG1-CG1 3.97Å; I355-Y357 HydrophobicContact CG2-CD1 4.2Å; I355-Y357 HydrophobicContact CG2-CE1 3.84Å
356	N	89.9	Confident	84.7	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.053	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.5	168.2	179.9	-23	0	0	0	108.8	F244 Y319 R320 G321 Q358	F244-N356 VanDerWaalsContact CB-ND2 3.26Å; F244-N356 WeakPolarHBondContact CB-ND2 3.44Å; F244-N356 VanDerWaalsContact CD2-ND2 3.33Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.49Å; Y319-N356 PolarHBondContact O-N 3.19Å; R320-N356 CarbonylContact C-O 3.55Å; R320-N356 WeakPolarHBondContact CA-O 3.45Å; R320-N356 HydrophobicContact CG-CB 4.3Å; G321-N356 PolarHBondContact N-O 3.3Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 3.12Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.32Å; N356-Q358 PolarHBondContact OD1-N 3.08Å
357	Y	88.4	Confident	85	Confident	126 Å²	126	49.1 Å²	49.1	49%	0.494	30%	0.296	S	S	.	.			trans	-78.1	-9.2	-175.3	-62.6	-69.7	0	0	0	114	A247 I355	A247-Y357 HydrophobicContact CB-CE2 4.26Å; I355-Y357 HydrophobicContact CG2-CD1 4.2Å; I355-Y357 HydrophobicContact CG2-CE1 3.84Å
358	Q	88	Confident	85.5	Confident	83 Å²	83	49 Å²	49	39%	0.388	29%	0.293	S	S	.	.	S	Bend	trans	-74.3	129.6	175	-62.7	-165.8	1.6	0	0	110.8	F244 G321 N356	F244-Q358 VanDerWaalsContact CD1-CD 3.4Å; F244-Q358 VanDerWaalsContact CZ-OE1 3.25Å; G321-Q358 PolarHBondContact N-O 3.29Å; G321-Q358 VanDerWaalsContact N-O 3.09Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 3.12Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.32Å; N356-Q358 PolarHBondContact OD1-N 3.08Å
359	P	89.5	Confident	86.9	Confident	76 Å²	76	44.6 Å²	44.6	49%	0.494	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-64.6	148.6	178.1	27.6	-34	0	0	0	111.1	T361	P359-T361 PolarHBondContact O-N 2.95Å
360	P	91.7	Very high	88.2	Confident	10 Å²	10	48 Å²	48	7%	0.065	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-55.9	130.7	171.9	-23.1	33	0	0	0	111.3	R320 V371 A374	R320-P360 HydrophobicContact CB-CG 4.03Å; P360-V371 HydrophobicContact CB-CG2 4.39Å; P360-V371 HydrophobicContact CG-CG2 4.13Å; P360-A374 HydrophobicContact CG-CB 3.58Å
361	T	93.3	Very high	89.2	Confident	43 Å²	43	48.9 Å²	48.9	26%	0.264	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-90.3	140.6	174.7	-63.5	0	0	0	0	109.3	L23 L26 E27 Q233 P359	L23-T361 HydrophobicContact CD1-CG2 4.29Å; L23-T361 WeakPolarHBondContact CD1-O 3.37Å; L26-T361 HydrophobicContact CB-CG2 3.96Å; E27-T361 HydrophobicContact CG-CG2 4.25Å; Q233-T361 PolarHBondContact NE2-O 2.67Å; Q233-T361 PolarHBondContact OE1-O 3.14Å; P359-T361 PolarHBondContact O-N 2.95Å
362	V	90.6	Very high	89.4	Confident	23 Å²	23	52.6 Å²	52.6	14%	0.139	29%	0.292	C	S	.	.			trans	-112	144.5	174.1	-58.7	0	0	0	0	110.2	L368 A369 K370	V362-L368 HydrophobicContact CG1-CB 4.23Å; V362-A369 WeakPolarHBondContact CG1-O 3.5Å; V362-K370 HydrophobicContact CG2-CD 4.32Å; V362-K370 HydrophobicContact CG2-CG 3.43Å; V362-K370 VanDerWaalsContact CG2-CG 3.43Å
363	V	91.3	Very high	89.6	Confident	8 Å²	8	50 Å²	50	5%	0.048	28%	0.28	C	S	.	.			trans	-68.6	131	176.7	-178.9	0	0	0	0	109.3	E22 L23 L26 G365 G366	E22-V363 HydrophobicContact CG-CG1 4.22Å; E22-V363 HydrophobicContact CG-CG2 4.42Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.33Å; L23-V363 HydrophobicContact CD1-CG2 4.35Å; L26-V363 HydrophobicContact CD1-CB 4.26Å; L26-V363 HydrophobicContact CD1-CG1 4.25Å; L26-V363 HydrophobicContact CD1-CG2 4.06Å; V363-G365 PolarHBondContact O-N 2.84Å; V363-G366 WeakPolarHBondContact O-CA 3.23Å; V363-G366 PolarHBondContact O-N 2.78Å
364	P	88.9	Confident	89.9	Confident	98 Å²	98	48.4 Å²	48.4	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	132.5	172.9	-26.5	35.1	0	0	0	112.3	G366	P364-G366 PolarHBondContact O-N 3.38Å
365	G	84.3	Confident	90.2	Very high	72 Å²	72	48.2 Å²	48.2	74%	0.742	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	23.2	-172.7	0	0	0	0	0	113.4	R229 V363	R229-G365 PolarHBondContact NH1-O 2.83Å; V363-G365 PolarHBondContact O-N 2.84Å
366	G	86	Confident	90.4	Very high	19 Å²	19	47.6 Å²	47.6	20%	0.196	27%	0.265	C	S	.	.			trans	-83.8	164.8	166.2	0	0	0	0	0	112.2	V363 P364	V363-G366 WeakPolarHBondContact O-CA 3.23Å; V363-G366 PolarHBondContact O-N 2.78Å; P364-G366 PolarHBondContact O-N 3.38Å
367	D	88.1	Confident	90.7	Very high	46 Å²	46	47.1 Å²	47.1	25%	0.246	26%	0.262	C	S	.	.	S	Bend	trans	-84.3	-15.9	-175.2	-46.7	-64.9	0	0	0	112.6	L217 I219 N226 S277 A278	L217-D367 HydrophobicContact CD1-CB 4.06Å; I219-D367 HydrophobicContact CD1-CB 3.97Å; N226-D367 PolarHBondContact ND2-OD1 3.31Å; N226-D367 PolarHBondContact ND2-OD2 2.91Å; S277-D367 WeakPolarHBondContact CA-O 3.47Å; A278-D367 PolarHBondContact N-O 2.79Å
368	L	89.2	Confident	91	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.131	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-86.2	136.1	-176.6	-72	166.4	0	0	0	112.7	L217 L230 Q233 V275 V362	L217-L368 HydrophobicContact CD2-CD2 3.76Å; L217-L368 HydrophobicContact CD2-CG 4.48Å; L230-L368 HydrophobicContact CD1-CD1 4.47Å; Q233-L368 HydrophobicContact CB-CD1 4.46Å; Q233-L368 HydrophobicContact CG-CD1 3.61Å; V275-L368 HydrophobicContact CG1-CD2 3.9Å; V362-L368 HydrophobicContact CG1-CB 4.23Å
369	A	89.8	Confident	91.2	Very high	7 Å²	7	37.2 Å²	37.2	6%	0.058	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.7	147.7	170.3	0	0	0	0	0	112.5	I276 A281 V362 V371	I276-A369 HydrophobicContact CB-CB 4.17Å; I276-A369 HydrophobicContact CG2-CB 4.24Å; I276-A369 PolarHBondContact O-N 3.39Å; A281-A369 HydrophobicContact CB-CB 3.49Å; A281-A369 VanDerWaalsContact CB-CB 3.49Å; V362-A369 WeakPolarHBondContact CG1-O 3.5Å; A369-V371 PolarHBondContact O-N 2.68Å
370	K	89.8	Confident	91.4	Very high	176 Å²	176	33.6 Å²	33.6	77%	0.765	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-68.3	121.5	164.3	-72.5	-175.9	179.6	-176.3	0	109.1	V362	V362-K370 HydrophobicContact CG2-CD 4.32Å; V362-K370 HydrophobicContact CG2-CG 3.43Å; V362-K370 VanDerWaalsContact CG2-CG 3.43Å
371	V	90.7	Very high	91.6	Very high	30 Å²	30	33.1 Å²	33.1	18%	0.182	19%	0.193	C	C	.	.			trans	-117.5	147.4	178.4	-63.4	0	0	0	0	110.4	P274 I276 P360 A369 R373 A374	P274-V371 HydrophobicContact CG-CG1 4.12Å; I276-V371 HydrophobicContact CD1-CG1 4.39Å; P360-V371 HydrophobicContact CB-CG2 4.39Å; P360-V371 HydrophobicContact CG-CG2 4.13Å; A369-V371 PolarHBondContact O-N 2.68Å; V371-R373 VanDerWaalsContact C-N 3.3Å; V371-A374 HydrophobicContact CG2-CB 4.38Å
372	Q	90.1	Very high	91.7	Very high	100 Å²	100	31.8 Å²	31.8	47%	0.467	19%	0.185	S	C	.	.	S	Bend	trans	-75.6	-23.5	177.9	-68.1	-173.3	-12.8	0	0	112.7	G321 D322	G321-Q372 WeakPolarHBondContact CA-O 3.42Å; D322-Q372 PolarHBondContact N-O 3.01Å
373	R	93.1	Very high	91.8	Very high	46 Å²	46	30.9 Å²	30.9	17%	0.174	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145.2	-176.9	59.1	-170.9	75.5	166.3	-2.7	111.3	P274 L286 I291 R320 D322 V323 V371	P274-R373 WeakPolarHBondContact CD-O 3.41Å; L286-R373 WeakPolarHBondContact O-CD 3.4Å; I291-R373 HydrophobicContact CD1-CB 4.34Å; I291-R373 HydrophobicContact CD1-CG 4.01Å; R320-R373 CarbonylContact O-C 3.55Å; R320-R373 WeakPolarHBondContact O-CA 3.35Å; D322-R373 PolarHBondContact O-NE 3.37Å; D322-R373 PolarHBondContact O-NH2 3.15Å; D322-R373 IonicContact OD2-CZ 3.78Å; D322-R373 IonicContact OD2-NH2 3.81Å; D322-R373 PolarHBondContact OD2-NH2 3.23Å; V323-R373 HydrophobicContact CG2-CB 3.8Å; V371-R373 VanDerWaalsContact C-N 3.3Å
374	A	95.3	Very high	92	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	165.8	172.1	0	0	0	0	0	110	Y272 A273 Y319 R320 P360 V371	Y272-A374 HydrophobicContact CE2-CB 4.15Å; Y272-A374 WeakPolarHBondContact OH-CB 3.44Å; A273-A374 CarbonylContact O-C 3.52Å; A273-A374 WeakPolarHBondContact O-CA 3.28Å; Y319-A374 CarbonylContact C-O 3.42Å; Y319-A374 WeakPolarHBondContact CA-O 3.43Å; R320-A374 PolarHBondContact N-O 3.13Å; R320-A374 PolarHBondContact O-N 2.78Å; P360-A374 HydrophobicContact CG-CB 3.58Å; V371-A374 HydrophobicContact CG2-CB 4.38Å
375	V	95.9	Very high	92.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.3	177.1	54.7	0	0	0	0	109.6	A273 I291 C295 L317 L318 Y319	A273-V375 HydrophobicContact CB-CG1 4.27Å; A273-V375 PolarHBondContact N-O 3.31Å; A273-V375 WeakPolarHBondContact O-CG1 3.27Å; A273-V375 PolarHBondContact O-N 3Å; A273-V375 VanDerWaalsContact O-O 3.14Å; I291-V375 HydrophobicContact CB-CG1 3.88Å; I291-V375 HydrophobicContact CD1-CB 4.36Å; I291-V375 HydrophobicContact CD1-CG1 3.98Å; I291-V375 HydrophobicContact CG1-CG1 3.74Å; C295-V375 WeakPolarHBondContact SG-CG1 3.34Å; L317-V375 HydrophobicContact CB-CG2 4.3Å; L317-V375 HydrophobicContact CD2-CG2 3.93Å; L318-V375 WeakPolarHBondContact O-CA 3.44Å; Y319-V375 HydrophobicContact CD1-CB 3.67Å; Y319-V375 HydrophobicContact CD1-CG2 3.85Å; Y319-V375 HydrophobicContact CD2-CG2 4.4Å; Y319-V375 HydrophobicContact CE1-CB 3.74Å; Y319-V375 HydrophobicContact CE1-CG1 4.33Å; Y319-V375 HydrophobicContact CE1-CG2 3.7Å; Y319-V375 HydrophobicContact CE2-CG2 4.27Å; Y319-V375 HydrophobicContact CG-CB 4.34Å; Y319-V375 HydrophobicContact CG-CG2 4.2Å
376	C	95.5	Very high	92.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.1	167.5	-173.1	0	0	0	0	107.8	T271 Y272 L318	T271-C376 CarbonylContact O-C 3.47Å; T271-C376 WeakPolarHBondContact O-CA 3.5Å; Y272-C376 HydrophobicContact CD2-CB 4.06Å; L318-C376 HydrophobicContact CB-CB 4.29Å; L318-C376 WeakPolarHBondContact CB-O 3.26Å; L318-C376 PolarHBondContact N-O 2.65Å; L318-C376 PolarHBondContact O-N 3.22Å
377	M	95.3	Very high	93	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.9	173.6	-172.8	178.6	77.5	0	0	109.4	T270 T271 C295 F296 C315 C316 L317	T270-M377 CarbonylContact C-O 3.52Å; T270-M377 WeakPolarHBondContact CA-O 3.17Å; T271-M377 PolarHBondContact N-O 3.34Å; T271-M377 PolarHBondContact O-N 3.17Å; C295-M377 HydrophobicContact CB-CB 3.83Å; C295-M377 HydrophobicContact CB-CE 4.26Å; C295-M377 HydrophobicContact CB-CG 4.44Å; C295-M377 HydrophobicContact CB-SD 3.82Å; C295-M377 WeakPolarHBondContact O-CE 3.37Å; F296-M377 HydrophobicContact CD1-CE 4.36Å; F296-M377 HydrophobicContact CD1-SD 4.27Å; F296-M377 HydrophobicContact CD2-SD 4.27Å; F296-M377 HydrophobicContact CE1-CE 4.21Å; F296-M377 HydrophobicContact CE1-SD 3.72Å; F296-M377 HydrophobicContact CE2-SD 3.69Å; F296-M377 HydrophobicContact CZ-CE 4.43Å; F296-M377 HydrophobicContact CZ-SD 3.37Å; F296-M377 WeakPolarHBondContact CZ-SD 3.35Å; C315-M377 VanDerWaalsContact SG-SD 3.63Å; C316-M377 CarbonylContact O-C 3.57Å; C316-M377 WeakPolarHBondContact O-CA 3.5Å; L317-M377 HydrophobicContact CD2-CB 3.77Å; L317-M377 HydrophobicContact CD2-CG 3.66Å; L317-M377 HydrophobicContact CD2-SD 4.04Å
378	L	93.9	Very high	93.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.1	169.6	-56.4	175	0	0	0	107.4	F202 I238 F255 L259 L269 T270 C315 C316 L318	F202-L378 HydrophobicContact CD1-CD2 4.03Å; F202-L378 HydrophobicContact CE1-CD1 3.85Å; F202-L378 HydrophobicContact CE1-CD2 3.82Å; F202-L378 HydrophobicContact CE1-CG 4.32Å; F202-L378 HydrophobicContact CZ-CD1 4.16Å; I238-L378 HydrophobicContact CD1-CD2 3.81Å; I238-L378 HydrophobicContact CG1-CD1 4.22Å; I238-L378 HydrophobicContact CG1-CD2 3.95Å; I238-L378 HydrophobicContact CG2-CD1 4.42Å; F255-L378 HydrophobicContact CD1-CD1 4Å; F255-L378 HydrophobicContact CE1-CD1 3.49Å; F255-L378 VanDerWaalsContact CE1-CD1 3.49Å; L259-L378 HydrophobicContact CD1-CB 3.79Å; L259-L378 HydrophobicContact CD1-CD1 3.88Å; L259-L378 HydrophobicContact CD1-CG 4.5Å; L259-L378 HydrophobicContact CD2-CB 4.11Å; L259-L378 WeakPolarHBondContact CD2-O 3.31Å; L269-L378 WeakPolarHBondContact O-CA 3.3Å; T270-L378 HydrophobicContact CG2-CD2 3.8Å; T270-L378 WeakPolarHBondContact OG1-CD2 3.28Å; C315-L378 CarbonylContact C-O 3.53Å; C315-L378 WeakPolarHBondContact CA-O 3.39Å; C316-L378 HydrophobicContact CB-CB 4.33Å; C316-L378 PolarHBondContact N-O 3.09Å; C316-L378 PolarHBondContact O-N 3.27Å; L318-L378 HydrophobicContact CD1-CD1 3.85Å; L318-L378 HydrophobicContact CD1-CG 4.4Å
379	S	93.4	Very high	93.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.4	-176.3	59.1	0	0	0	0	110.7	L269 A314 T381	L269-S379 WeakPolarHBondContact CB-O 3.4Å; L269-S379 PolarHBondContact N-O 2.99Å; L269-S379 PolarHBondContact O-N 3.26Å; A314-S379 CarbonylContact O-C 3.52Å; A314-S379 VanDerWaalsContact O-CA 3.24Å; A314-S379 WeakPolarHBondContact O-CA 2.99Å; S379-T381 PolarHBondContact O-N 3.47Å
380	N	94.1	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.9	170	-161.4	-14.5	0	0	0	108.1	L259 I265 M313 A314	L259-N380 VanDerWaalsContact O-CB 3.23Å; L259-N380 WeakPolarHBondContact O-CB 3.12Å; L259-N380 PolarHBondContact O-ND2 3.5Å; I265-N380 PolarHBondContact O-ND2 3.03Å; M313-N380 HydrophobicContact CB-CB 4.44Å; M313-N380 HydrophobicContact CE-CB 4.34Å; M313-N380 WeakPolarHBondContact CE-OD1 3.38Å; M313-N380 PolarHBondContact N-O 2.85Å; A314-N380 HydrophobicContact CB-CB 4.31Å; A314-N380 PolarHBondContact N-O 3.35Å; A314-N380 PolarHBondContact O-N 3.47Å
381	T	94.5	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.7	-175.7	177.9	0	0	0	0	110.2	L269 K311 Y312 S379 A383 I384	L269-T381 HydrophobicContact CB-CG2 4.06Å; L269-T381 HydrophobicContact CD2-CG2 3.99Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.47Å; K311-T381 PolarHBondContact O-OG1 3.44Å; Y312-T381 HydrophobicContact CE1-CG2 4.43Å; S379-T381 PolarHBondContact O-N 3.47Å; T381-A383 HydrophobicContact CG2-CB 4.25Å; T381-A383 PolarHBondContact O-N 3.02Å; T381-A383 PolarHBondContact OG1-N 3.27Å; T381-I384 WeakPolarHBondContact O-CG2 3.45Å; T381-I384 PolarHBondContact O-N 2.88Å
382	T	95.3	Very high	94.1	Very high	15 Å²	15	18.3 Å²	18.3	9%	0.092	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-65	-18.5	177.5	61.7	0	0	0	0	113.1	G310 K311 M313 I384 A385 Y432 V435	G310-T382 VanDerWaalsContact CA-OG1 3.29Å; G310-T382 WeakPolarHBondContact CA-OG1 3.49Å; K311-T382 PolarHBondContact N-OG1 2.98Å; K311-T382 PolarHBondContact O-N 3.37Å; M313-T382 HydrophobicContact CE-CG2 3.99Å; T382-I384 PolarHBondContact O-N 2.86Å; T382-I384 VanDerWaalsContact O-N 3.11Å; T382-A385 WeakPolarHBondContact O-CB 3.45Å; T382-A385 PolarHBondContact O-N 3.4Å; T382-Y432 HydrophobicContact CG2-CD1 4.3Å; T382-V435 HydrophobicContact CG2-CB 4.33Å; T382-V435 HydrophobicContact CG2-CG1 4.02Å
383	A	94.6	Very high	94.3	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.033	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-62.3	-19.7	177.5	0	0	0	0	0	113.7	C305 D306 P307 T381 A385 E386	C305-A383 HydrophobicContact CB-CB 4.33Å; C305-A383 WeakPolarHBondContact CB-O 3.41Å; D306-A383 WeakPolarHBondContact O-CB 3.31Å; P307-A383 HydrophobicContact CB-CB 4.49Å; T381-A383 HydrophobicContact CG2-CB 4.25Å; T381-A383 PolarHBondContact O-N 3.02Å; T381-A383 PolarHBondContact OG1-N 3.27Å; A383-A385 PolarHBondContact O-N 3.09Å; A383-E386 WeakPolarHBondContact O-CB 3.49Å; A383-E386 PolarHBondContact O-N 3.34Å; A383-E386 VanDerWaalsContact O-N 3.1Å
384	I	94.6	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-64.3	-18.6	175.3	-154.2	167.7	0	0	0	112.5	M203 F267 T381 T382 E386 A387 Y432	M203-I384 HydrophobicContact SD-CD1 3.64Å; M203-I384 HydrophobicContact SD-CG1 4.14Å; F267-I384 HydrophobicContact CB-CD1 3.99Å; F267-I384 VanDerWaalsContact O-CD1 3.26Å; F267-I384 WeakPolarHBondContact O-CD1 3.29Å; T381-I384 WeakPolarHBondContact O-CG2 3.45Å; T381-I384 PolarHBondContact O-N 2.88Å; T382-I384 PolarHBondContact O-N 2.86Å; T382-I384 VanDerWaalsContact O-N 3.11Å; I384-E386 PolarHBondContact O-N 3.09Å; I384-A387 VanDerWaalsContact O-CB 3.31Å; I384-A387 WeakPolarHBondContact O-CB 3.48Å; I384-A387 PolarHBondContact O-N 3.23Å; I384-Y432 HydrophobicContact CG2-CE1 3.71Å; I384-Y432 HydrophobicContact CG2-CE2 4.34Å; I384-Y432 WeakPolarHBondContact CG2-OH 3.22Å
385	A	94.4	Very high	94.4	Very high	22 Å²	22	21.8 Å²	21.8	18%	0.182	11%	0.105	C	C	.	.	H	α-helix	trans	-56.2	-29.5	170.6	0	0	0	0	0	112.9	T382 A383 A387 W388 A389 Y432	T382-A385 WeakPolarHBondContact O-CB 3.45Å; T382-A385 PolarHBondContact O-N 3.4Å; A383-A385 PolarHBondContact O-N 3.09Å; A385-A387 PolarHBondContact O-N 2.7Å; A385-W388 PolarHBondContact O-N 3.31Å; A385-W388 VanDerWaalsContact O-N 3.12Å; A385-A389 PolarHBondContact O-N 2.98Å; A385-Y432 HydrophobicContact CB-CD2 4.1Å; A385-Y432 HydrophobicContact CB-CG 3.97Å
386	E	93.1	Very high	94.5	Very high	65 Å²	65	24.6 Å²	24.6	30%	0.304	12%	0.12	S	C	.	.	H	α-helix	trans	-60.8	-29.6	173.8	-66	-177.2	170.9	0	0	112.4	C305 D306 H309 A383 I384 R390	C305-E386 VanDerWaalsContact CA-OE2 3.32Å; C305-E386 WeakPolarHBondContact CA-OE2 3.44Å; C305-E386 HydrophobicContact CB-CB 4.28Å; D306-E386 PolarHBondContact N-OE2 3.24Å; H309-E386 IonicContact CG-OE1 3.25Å; H309-E386 IonicContact ND1-OE1 2.64Å; H309-E386 PolarHBondContact ND1-OE1 2.98Å; A383-E386 WeakPolarHBondContact O-CB 3.49Å; A383-E386 PolarHBondContact O-N 3.34Å; A383-E386 VanDerWaalsContact O-N 3.1Å; I384-E386 PolarHBondContact O-N 3.09Å; E386-R390 WeakPolarHBondContact O-CG 3.45Å; E386-R390 PolarHBondContact O-N 3.23Å; E386-R390 PolarHBondContact O-NH1 3.18Å; E386-R390 VanDerWaalsContact O-NH1 3.15Å
387	A	92.6	Very high	94.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.4	-41.5	175.6	0	0	0	0	0	111.2	Y172 M203 V303 I384 A385 R390 L391	Y172-A387 HydrophobicContact CE2-CB 4.16Å; Y172-A387 PolarHBondContact OH-O 3.14Å; M203-A387 HydrophobicContact CE-CB 4.36Å; V303-A387 HydrophobicContact CG1-CB 3.92Å; I384-A387 VanDerWaalsContact O-CB 3.31Å; I384-A387 WeakPolarHBondContact O-CB 3.48Å; I384-A387 PolarHBondContact O-N 3.23Å; A385-A387 PolarHBondContact O-N 2.7Å; A387-R390 PolarHBondContact O-N 2.77Å; A387-L391 PolarHBondContact O-N 2.96Å
388	W	94.7	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-48.6	175.6	-61.7	124	0	0	0	111.6	F141 T191 M203 F267 A385 R390 L391 D392 M425 E429	F141-W388 HydrophobicContact CE2-CH2 4.03Å; F141-W388 HydrophobicContact CE2-CZ3 4.49Å; F141-W388 HydrophobicContact CZ-CH2 4.12Å; T191-W388 HydrophobicContact CG2-CH2 3.58Å; T191-W388 HydrophobicContact CG2-CZ2 4.28Å; T191-W388 HydrophobicContact CG2-CZ3 3.81Å; T191-W388 WeakPolarHBondContact OG1-CZ3 3.5Å; M203-W388 HydrophobicContact CE-CH2 3.9Å; M203-W388 HydrophobicContact CE-CZ2 3.78Å; M203-W388 HydrophobicContact CE-CZ3 4.36Å; M203-W388 HydrophobicContact SD-CH2 4.03Å; M203-W388 HydrophobicContact SD-CZ2 3.45Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.44Å; F267-W388 HydrophobicContact CD1-CH2 4.44Å; F267-W388 AromaticContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD1-CZ2 3.71Å; F267-W388 HydrophobicContact CD2-CZ2 4.14Å; F267-W388 HydrophobicContact CE1-CH2 4.05Å; F267-W388 AromaticContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE1-CZ2 3.65Å; F267-W388 HydrophobicContact CE2-CZ2 4.08Å; F267-W388 AromaticContact CG-CZ2 3.95Å; F267-W388 HydrophobicContact CG-CZ2 3.95Å; F267-W388 HydrophobicContact CZ-CH2 4.31Å; F267-W388 AromaticContact CZ-CZ2 3.83Å; F267-W388 HydrophobicContact CZ-CZ2 3.83Å; A385-W388 PolarHBondContact O-N 3.31Å; A385-W388 VanDerWaalsContact O-N 3.12Å; W388-R390 PolarHBondContact O-N 3.04Å; W388-R390 VanDerWaalsContact O-N 3.09Å; W388-L391 HydrophobicContact CE3-CD1 3.96Å; W388-L391 HydrophobicContact CZ3-CD1 3.95Å; W388-L391 WeakPolarHBondContact O-CA 3.29Å; W388-L391 WeakPolarHBondContact O-CB 3.16Å; W388-L391 PolarHBondContact O-N 2.7Å; W388-D392 PolarHBondContact O-N 3.16Å; W388-M425 HydrophobicContact CB-CE 4.35Å; W388-M425 HydrophobicContact CD2-CE 3.69Å; W388-M425 HydrophobicContact CE3-CE 3.29Å; W388-M425 HydrophobicContact CG-CE 4.16Å; W388-M425 HydrophobicContact CZ3-CE 3.78Å; W388-E429 HydrophobicContact CB-CG 4.37Å
389	A	94.4	Very high	94.8	Very high	43 Å²	43	32.4 Å²	32.4	36%	0.355	16%	0.158	S	C	.	.	H	α-helix	trans	-55.4	-35	177.2	0	0	0	0	0	113.4	A385 Y393 E429	A385-A389 PolarHBondContact O-N 2.98Å; A389-Y393 VanDerWaalsContact O-CB 3.27Å; A389-Y393 WeakPolarHBondContact O-CB 3.48Å; A389-Y393 PolarHBondContact O-N 3.44Å; A389-E429 WeakPolarHBondContact CA-OE1 3.34Å; A389-E429 PolarHBondContact N-OE1 2.93Å; A389-E429 VanDerWaalsContact N-OE1 3.16Å
390	R	92.4	Very high	94.9	Very high	84 Å²	84	36.1 Å²	36.1	32%	0.317	19%	0.189	S	C	.	.	H	α-helix	trans	-70.6	-34.3	175.2	-73.1	-172.3	-49.9	-98.9	10.1	113.1	K304 E386 A387 W388 K394	K304-R390 VanDerWaalsContact O-CZ 3.25Å; K304-R390 PolarHBondContact O-NH1 2.92Å; K304-R390 PolarHBondContact O-NH2 2.81Å; E386-R390 WeakPolarHBondContact O-CG 3.45Å; E386-R390 PolarHBondContact O-N 3.23Å; E386-R390 PolarHBondContact O-NH1 3.18Å; E386-R390 VanDerWaalsContact O-NH1 3.15Å; A387-R390 PolarHBondContact O-N 2.77Å; W388-R390 PolarHBondContact O-N 3.04Å; W388-R390 VanDerWaalsContact O-N 3.09Å; R390-K394 WeakPolarHBondContact O-CG 3.45Å
391	L	92.6	Very high	95.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-70.9	-48.8	173.6	-73.5	-178.3	0	0	0	110.6	Y172 P173 I188 A387 W388 Y393 K394 F395	Y172-L391 HydrophobicContact CD2-CD1 4.04Å; Y172-L391 HydrophobicContact CE2-CD1 3.36Å; Y172-L391 HydrophobicContact CE2-CD2 3.97Å; Y172-L391 HydrophobicContact CE2-CG 3.51Å; Y172-L391 WeakPolarHBondContact OH-CG 3.43Å; P173-L391 HydrophobicContact CG-CD2 3.79Å; I188-L391 HydrophobicContact CD1-CB 4.12Å; A387-L391 PolarHBondContact O-N 2.96Å; W388-L391 HydrophobicContact CE3-CD1 3.96Å; W388-L391 HydrophobicContact CZ3-CD1 3.95Å; W388-L391 WeakPolarHBondContact O-CA 3.29Å; W388-L391 WeakPolarHBondContact O-CB 3.16Å; W388-L391 PolarHBondContact O-N 2.7Å; L391-Y393 VanDerWaalsContact C-N 3.32Å; L391-Y393 PolarHBondContact O-N 3.45Å; L391-K394 PolarHBondContact O-N 3.28Å; L391-F395 PolarHBondContact O-N 3.18Å
392	D	95.7	Very high	95.1	Very high	2 Å²	2	51 Å²	51	1%	0.011	25%	0.25	C	C	.	.	H	α-helix	trans	-57.3	-46	-179.1	-79.7	26.7	0	0	0	110.9	I188 W388 K394 F395 D396 R422	I188-D392 WeakPolarHBondContact CD1-OD1 3.43Å; W388-D392 PolarHBondContact O-N 3.16Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 3.4Å; D392-F395 WeakPolarHBondContact O-CB 3.47Å; D392-F395 PolarHBondContact O-N 3.45Å; D392-D396 WeakPolarHBondContact O-CB 3.41Å; D392-D396 PolarHBondContact O-N 2.8Å; D392-R422 IonicContact OD2-CZ 3.78Å; D392-R422 IonicContact OD2-NE 3.36Å; D392-R422 IonicContact OD2-NH1 3.88Å; D392-R422 PolarHBondContact OD2-NH1 3.08Å; D392-R422 IonicContact OD2-NH2 2.94Å
393	Y	95.6	Very high	95.2	Very high	152 Å²	152	51.7 Å²	51.7	60%	0.596	26%	0.257	S	S	*	.	H	α-helix	trans	-57.6	-43.3	175.1	178.4	-106.5	0	0	0	113.1	A389 L391 D396 L397	A389-Y393 VanDerWaalsContact O-CB 3.27Å; A389-Y393 WeakPolarHBondContact O-CB 3.48Å; A389-Y393 PolarHBondContact O-N 3.44Å; L391-Y393 VanDerWaalsContact C-N 3.32Å; L391-Y393 PolarHBondContact O-N 3.45Å; Y393-D396 PolarHBondContact O-N 3.21Å; Y393-L397 HydrophobicContact CD1-CD1 4.06Å; Y393-L397 HydrophobicContact CE1-CD1 3.47Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.47Å; Y393-L397 HydrophobicContact CE1-CG 4.24Å; Y393-L397 HydrophobicContact CE2-CD1 4.42Å; Y393-L397 HydrophobicContact CE2-CG 4.38Å; Y393-L397 WeakPolarHBondContact O-CG 3.49Å; Y393-L397 PolarHBondContact O-N 2.89Å; Y393-L397 VanDerWaalsContact O-N 3.13Å
394	K	94.1	Very high	95.3	Very high	68 Å²	68	55.5 Å²	55.5	30%	0.296	27%	0.273	S	S	.	.	H	α-helix	trans	-69.6	-38.5	178.2	-70.1	173.8	-174.8	171.9	0	111.7	P184 R390 L391 D392 M398	P184-K394 HydrophobicContact CB-CB 3.97Å; P184-K394 HydrophobicContact CG-CB 3.75Å; P184-K394 HydrophobicContact CG-CD 4.14Å; R390-K394 WeakPolarHBondContact O-CG 3.45Å; L391-K394 PolarHBondContact O-N 3.28Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 3.4Å; K394-M398 WeakPolarHBondContact O-CG 3.44Å; K394-M398 PolarHBondContact O-N 2.91Å
395	F	96.3	Very high	95.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.5	-51.1	173.8	178.9	-77.8	0	0	0	110.1	Y185 I188 L391 D392 L397 M398 Y399 F418 R422	Y185-F395 AromaticContact CD1-CD2 3.41Å; Y185-F395 HydrophobicContact CD1-CD2 3.41Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.41Å; Y185-F395 AromaticContact CD1-CE2 3.54Å; Y185-F395 HydrophobicContact CD1-CE2 3.54Å; Y185-F395 HydrophobicContact CD1-CG 4.16Å; Y185-F395 HydrophobicContact CD1-CZ 4.39Å; Y185-F395 AromaticContact CE1-CD2 3.87Å; Y185-F395 HydrophobicContact CE1-CD2 3.87Å; Y185-F395 AromaticContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CG 4.24Å; Y185-F395 HydrophobicContact CE1-CZ 4.37Å; I188-F395 HydrophobicContact CB-CD2 3.8Å; I188-F395 HydrophobicContact CB-CE2 4.07Å; I188-F395 HydrophobicContact CG1-CB 4.13Å; I188-F395 HydrophobicContact CG1-CD2 3.62Å; I188-F395 HydrophobicContact CG1-CE2 4.38Å; I188-F395 HydrophobicContact CG1-CG 4.12Å; I188-F395 HydrophobicContact CG2-CD2 4.02Å; I188-F395 HydrophobicContact CG2-CE2 3.94Å; L391-F395 PolarHBondContact O-N 3.18Å; D392-F395 WeakPolarHBondContact O-CB 3.47Å; D392-F395 PolarHBondContact O-N 3.45Å; F395-L397 PolarHBondContact O-N 2.94Å; F395-M398 PolarHBondContact O-N 3.06Å; F395-M398 VanDerWaalsContact O-N 3.15Å; F395-Y399 AromaticContact CE1-CD1 3.95Å; F395-Y399 HydrophobicContact CE1-CD1 3.95Å; F395-Y399 AromaticContact CE1-CG 3.88Å; F395-Y399 HydrophobicContact CE1-CG 3.88Å; F395-Y399 HydrophobicContact CZ-CG 4.25Å; F395-Y399 WeakPolarHBondContact O-CB 3.35Å; F395-Y399 PolarHBondContact O-N 3.15Å; F395-F418 AromaticContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CZ-CB 4.14Å; F395-F418 AromaticContact CZ-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CD1 3.87Å; F395-F418 WeakPolarHBondContact CZ-O 3.37Å; F395-R422 HydrophobicContact CD1-CB 4.34Å; F395-R422 HydrophobicContact CD1-CG 4.13Å; F395-R422 HydrophobicContact CE1-CB 3.72Å; F395-R422 HydrophobicContact CE1-CG 3.88Å; F395-R422 HydrophobicContact CZ-CB 4.08Å
396	D	97.4	Very high	95.5	Very high	60 Å²	60	60.1 Å²	60.1	32%	0.321	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-43.3	-176.8	-69.5	-22.6	0	0	0	111.7	D392 Y393 M398 Y399 A400 R422	D392-D396 WeakPolarHBondContact O-CB 3.41Å; D392-D396 PolarHBondContact O-N 2.8Å; Y393-D396 PolarHBondContact O-N 3.21Å; D396-M398 VanDerWaalsContact C-N 3.33Å; D396-M398 PolarHBondContact O-N 2.99Å; D396-Y399 PolarHBondContact O-N 3.24Å; D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 3.26Å; D396-R422 WeakPolarHBondContact OD1-CD 3.2Å; D396-R422 IonicContact OD1-CZ 3.99Å; D396-R422 IonicContact OD1-NE 2.77Å; D396-R422 PolarHBondContact OD1-NE 3.28Å; D396-R422 IonicContact OD1-NH2 3.24Å; D396-R422 IonicContact OD2-CZ 3.26Å; D396-R422 IonicContact OD2-NE 3.67Å; D396-R422 PolarHBondContact OD2-NE 2.88Å; D396-R422 IonicContact OD2-NH2 2.92Å; D396-R422 PolarHBondContact OD2-NH2 3.36Å
397	L	96.8	Very high	95.7	Very high	100 Å²	100	64.4 Å²	64.4	52%	0.524	31%	0.305	S	S	.	.	H	α-helix	trans	-58.3	-42.4	176.2	-75	177.9	0	0	0	112.8	Y393 F395	Y393-L397 HydrophobicContact CD1-CD1 4.06Å; Y393-L397 HydrophobicContact CE1-CD1 3.47Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.47Å; Y393-L397 HydrophobicContact CE1-CG 4.24Å; Y393-L397 HydrophobicContact CE2-CD1 4.42Å; Y393-L397 HydrophobicContact CE2-CG 4.38Å; Y393-L397 WeakPolarHBondContact O-CG 3.49Å; Y393-L397 PolarHBondContact O-N 2.89Å; Y393-L397 VanDerWaalsContact O-N 3.13Å; F395-L397 PolarHBondContact O-N 2.94Å
398	M	96.4	Very high	95.9	Very high	28 Å²	28	64.5 Å²	64.5	14%	0.138	31%	0.305	C	S	.	.	H	α-helix	trans	-76.2	-45.1	179.9	-65.8	-170.6	-60.9	0	0	111.6	P184 Y185 K394 F395 D396 A400 K401 R402 A403	P184-M398 HydrophobicContact CB-CE 3.56Å; P184-M398 HydrophobicContact CG-CE 3.6Å; Y185-M398 HydrophobicContact CD1-CE 3.86Å; Y185-M398 HydrophobicContact CE1-CB 3.93Å; Y185-M398 HydrophobicContact CE1-CE 3.91Å; Y185-M398 HydrophobicContact CG-CE 4.23Å; Y185-M398 WeakPolarHBondContact OH-CB 3.41Å; Y185-M398 PolarHBondContact OH-O 2.98Å; K394-M398 WeakPolarHBondContact O-CG 3.44Å; K394-M398 PolarHBondContact O-N 2.91Å; F395-M398 PolarHBondContact O-N 3.06Å; F395-M398 VanDerWaalsContact O-N 3.15Å; D396-M398 VanDerWaalsContact C-N 3.33Å; D396-M398 PolarHBondContact O-N 2.99Å; M398-A400 PolarHBondContact O-N 3.25Å; M398-K401 PolarHBondContact O-N 2.79Å; M398-K401 VanDerWaalsContact O-N 3.14Å; M398-R402 PolarHBondContact O-N 3.18Å; M398-A403 PolarHBondContact O-N 3.3Å; M398-A403 VanDerWaalsContact O-N 3.12Å
399	Y	97.1	Very high	96	Very high	36 Å²	36	68.5 Å²	68.5	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-31.8	-174.9	-168.1	-119.1	0	0	0	112.6	Y185 F395 D396 K401 R402 V405 F418 S419	Y185-Y399 WeakPolarHBondContact OH-CA 3.41Å; Y185-Y399 PolarHBondContact OH-N 2.68Å; F395-Y399 AromaticContact CE1-CD1 3.95Å; F395-Y399 HydrophobicContact CE1-CD1 3.95Å; F395-Y399 AromaticContact CE1-CG 3.88Å; F395-Y399 HydrophobicContact CE1-CG 3.88Å; F395-Y399 HydrophobicContact CZ-CG 4.25Å; F395-Y399 WeakPolarHBondContact O-CB 3.35Å; F395-Y399 PolarHBondContact O-N 3.15Å; D396-Y399 PolarHBondContact O-N 3.24Å; Y399-K401 PolarHBondContact O-N 3.46Å; Y399-R402 PolarHBondContact O-N 3.28Å; Y399-R402 PolarHBondContact OH-NH1 3.16Å; Y399-V405 HydrophobicContact CD2-CG2 3.88Å; Y399-V405 HydrophobicContact CE2-CG2 4.07Å; Y399-F418 HydrophobicContact CD2-CB 4.24Å; Y399-F418 HydrophobicContact CD2-CD1 4.43Å; Y399-F418 HydrophobicContact CD2-CG 4.4Å; Y399-F418 HydrophobicContact CE1-CB 4.49Å; Y399-F418 HydrophobicContact CE2-CB 3.58Å; Y399-F418 HydrophobicContact CE2-CD1 4.42Å; Y399-F418 HydrophobicContact CE2-CD2 4.47Å; Y399-F418 AromaticContact CE2-CG 3.94Å; Y399-F418 HydrophobicContact CE2-CG 3.94Å; Y399-S419 PolarHBondContact OH-OG 3.34Å; Y399-S419 VanDerWaalsContact OH-OG 3.1Å
400	A	96.9	Very high	96.1	Very high	79 Å²	79	69.6 Å²	69.6	65%	0.653	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.6	171.9	0	0	0	0	0	113.6	D396 M398	D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 3.26Å; M398-A400 PolarHBondContact O-N 3.25Å
401	K	96.9	Very high	96.3	Very high	174 Å²	174	67.5 Å²	67.5	76%	0.757	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	3.3	174.7	-58.4	-55.8	179.2	-166.7	0	113.5	M398 Y399 A403	M398-K401 PolarHBondContact O-N 2.79Å; M398-K401 VanDerWaalsContact O-N 3.14Å; Y399-K401 PolarHBondContact O-N 3.46Å; K401-A403 PolarHBondContact O-N 3.3Å; K401-A403 VanDerWaalsContact O-N 3.11Å
402	R	95.6	Very high	96.3	Very high	137 Å²	137	70.2 Å²	70.2	52%	0.517	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	34.7	-169	-56.6	-167.3	-175.8	-73	-1.8	112.1	M398 Y399 F404 V405 E415	M398-R402 PolarHBondContact O-N 3.18Å; Y399-R402 PolarHBondContact O-N 3.28Å; Y399-R402 PolarHBondContact OH-NH1 3.16Å; R402-F404 PolarHBondContact O-N 3.49Å; R402-V405 HydrophobicContact CB-CB 4.43Å; R402-V405 HydrophobicContact CB-CG2 4.12Å; R402-E415 VanDerWaalsContact CD-OE1 3.31Å; R402-E415 WeakPolarHBondContact CD-OE1 3.43Å; R402-E415 IonicContact CZ-OE1 3.24Å; R402-E415 VanDerWaalsContact CZ-OE1 3.24Å; R402-E415 IonicContact NE-OE1 3.49Å; R402-E415 PolarHBondContact NE-OE1 3.47Å; R402-E415 IonicContact NH1-OE1 2.61Å; R402-E415 PolarHBondContact NH1-OE1 3.39Å
403	A	96.7	Very high	96.4	Very high	31 Å²	31	70.4 Å²	70.4	26%	0.256	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	132.9	-179.2	0	0	0	0	0	108.8	Y185 M398 K401 V405	Y185-A403 WeakPolarHBondContact CE2-O 3.34Å; Y185-A403 PolarHBondContact OH-O 2.85Å; M398-A403 PolarHBondContact O-N 3.3Å; M398-A403 VanDerWaalsContact O-N 3.12Å; K401-A403 PolarHBondContact O-N 3.3Å; K401-A403 VanDerWaalsContact O-N 3.11Å; A403-V405 PolarHBondContact O-N 2.97Å
404	F	96.8	Very high	96.4	Very high	84 Å²	84	70.2 Å²	70.2	37%	0.368	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-5.7	179.3	-49.3	-78.1	0	0	0	117.7	V181 V182 Y185 R402 H406 W407	V181-F404 HydrophobicContact CG1-CE2 3.9Å; V181-F404 HydrophobicContact CG1-CZ 4.24Å; V182-F404 HydrophobicContact CG1-CB 3.69Å; V182-F404 HydrophobicContact CG1-CD1 4.21Å; V182-F404 HydrophobicContact CG1-CD2 3.94Å; V182-F404 HydrophobicContact CG1-CG 3.68Å; Y185-F404 HydrophobicContact CE2-CB 4.44Å; R402-F404 PolarHBondContact O-N 3.49Å; F404-H406 VanDerWaalsContact C-N 3.26Å; F404-H406 PolarHBondContact O-N 3.26Å; F404-W407 WeakPolarHBondContact O-CB 3.41Å; F404-W407 PolarHBondContact O-N 3.06Å; F404-W407 VanDerWaalsContact O-N 3.07Å
405	V	96.8	Very high	96.4	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.018	37%	0.367	C	S	.	.	H	α-helix	trans	-55.5	-37.8	-178.6	175.4	0	0	0	0	112.9	Y185 Y399 R402 A403 W407 Y408 M409 E415 F418	Y185-V405 HydrophobicContact CE2-CG2 4.27Å; Y399-V405 HydrophobicContact CD2-CG2 3.88Å; Y399-V405 HydrophobicContact CE2-CG2 4.07Å; R402-V405 HydrophobicContact CB-CB 4.43Å; R402-V405 HydrophobicContact CB-CG2 4.12Å; A403-V405 PolarHBondContact O-N 2.97Å; V405-W407 PolarHBondContact O-N 3.3Å; V405-W407 VanDerWaalsContact O-N 3.12Å; V405-Y408 PolarHBondContact O-N 2.87Å; V405-M409 HydrophobicContact CG1-CG 4.14Å; V405-M409 HydrophobicContact CG1-SD 3.87Å; V405-M409 PolarHBondContact O-N 2.77Å; V405-M409 VanDerWaalsContact O-N 3.16Å; V405-E415 HydrophobicContact CG1-CG 4.22Å; V405-F418 HydrophobicContact CG1-CD2 4.4Å; V405-F418 HydrophobicContact CG1-CE2 4.08Å
406	H	96.4	Very high	96.3	Very high	115 Å²	115	71.5 Å²	71.5	53%	0.532	38%	0.384	S	S	.	.	H	α-helix	trans	-58.2	-26.9	179.1	65.1	-84.6	0	0	0	114.2	F404 Y408 G410	F404-H406 VanDerWaalsContact C-N 3.26Å; F404-H406 PolarHBondContact O-N 3.26Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; H406-G410 PolarHBondContact O-N 2.92Å
407	W	96.9	Very high	96.3	Very high	156 Å²	156	70.2 Å²	70.2	59%	0.591	38%	0.376	S	S	*	.	H	α-helix	trans	-67.8	-33.3	175.4	-71.3	110.4	0	0	0	112.3	N102 F404 V405 E411	N102-W407 PolarHBondContact ND2-O 3.39Å; F404-W407 WeakPolarHBondContact O-CB 3.41Å; F404-W407 PolarHBondContact O-N 3.06Å; F404-W407 VanDerWaalsContact O-N 3.07Å; V405-W407 PolarHBondContact O-N 3.3Å; V405-W407 VanDerWaalsContact O-N 3.12Å; W407-E411 WeakPolarHBondContact O-CG 3.45Å
408	Y	97.7	Very high	96.4	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-79.2	-45.2	179.7	-65.4	-106.7	0	0	0	110.2	N102 A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418	N102-Y408 WeakPolarHBondContact OD1-CD1 3.36Å; A104-Y408 HydrophobicContact CB-CD1 4.22Å; V182-Y408 WeakPolarHBondContact CB-OH 3.22Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.44Å; Y185-Y408 AromaticContact CD2-CE2 3.79Å; Y185-Y408 HydrophobicContact CD2-CE2 3.79Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.26Å; N186-Y408 PolarHBondContact OD1-OH 3.27Å; L189-Y408 HydrophobicContact CD1-CD1 4.06Å; L189-Y408 HydrophobicContact CD1-CE1 3.97Å; V405-Y408 PolarHBondContact O-N 2.87Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; Y408-G410 VanDerWaalsContact C-N 3.29Å; Y408-G410 PolarHBondContact O-N 2.69Å; Y408-E411 PolarHBondContact O-N 3.04Å; Y408-M413 HydrophobicContact CD1-SD 3.97Å; Y408-M413 HydrophobicContact CG-SD 4.41Å; Y408-M413 WeakPolarHBondContact O-CB 3.48Å; Y408-M413 PolarHBondContact O-N 3.44Å; Y408-F418 AromaticContact CD1-CZ 3.78Å; Y408-F418 HydrophobicContact CD1-CZ 3.78Å; Y408-F418 AromaticContact CD2-CZ 3.82Å; Y408-F418 HydrophobicContact CD2-CZ 3.82Å; Y408-F418 HydrophobicContact CE1-CZ 4.33Å; Y408-F418 HydrophobicContact CE2-CZ 4.4Å; Y408-F418 HydrophobicContact CG-CE2 4.17Å; Y408-F418 AromaticContact CG-CZ 3.5Å; Y408-F418 HydrophobicContact CG-CZ 3.5Å
409	M	96.7	Very high	96.3	Very high	84 Å²	84	66.2 Å²	66.2	41%	0.414	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-37.6	176	-63.2	176.6	71.4	0	0	112.8	V405 E411 G412 M413 E415	V405-M409 HydrophobicContact CG1-CG 4.14Å; V405-M409 HydrophobicContact CG1-SD 3.87Å; V405-M409 PolarHBondContact O-N 2.77Å; V405-M409 VanDerWaalsContact O-N 3.16Å; M409-E411 PolarHBondContact O-N 3.17Å; M409-E411 VanDerWaalsContact O-N 3.11Å; M409-G412 PolarHBondContact O-N 2.95Å; M409-G412 VanDerWaalsContact O-N 3.11Å; M409-M413 WeakPolarHBondContact CA-O 3.36Å; M409-E415 HydrophobicContact CE-CB 4.07Å; M409-E415 HydrophobicContact CG-CB 4.4Å; M409-E415 HydrophobicContact SD-CB 3.99Å; M409-E415 HydrophobicContact SD-CG 4.32Å
410	G	95.6	Very high	96.4	Very high	66 Å²	66	69.8 Å²	69.8	68%	0.68	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.8	175.9	0	0	0	0	0	114.1	H406 Y408	H406-G410 PolarHBondContact O-N 2.92Å; Y408-G410 VanDerWaalsContact C-N 3.29Å; Y408-G410 PolarHBondContact O-N 2.69Å
411	E	96.7	Very high	96.4	Very high	40 Å²	40	66 Å²	66	19%	0.187	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	19.9	-179.6	-62.9	-76.8	177.4	0	0	111.5	A104 R105 Y108 T109 W407 Y408 M409	A104-E411 HydrophobicContact CB-CB 3.76Å; R105-E411 WeakPolarHBondContact CD-OE1 3.32Å; R105-E411 HydrophobicContact CG-CB 4.23Å; R105-E411 HydrophobicContact CG-CG 3.53Å; R105-E411 WeakPolarHBondContact CG-OE1 3.44Å; R105-E411 IonicContact CZ-OE1 2.71Å; R105-E411 IonicContact NH1-OE1 3.7Å; R105-E411 PolarHBondContact NH1-OE1 2.87Å; R105-E411 IonicContact NH1-OE2 2.78Å; Y108-E411 WeakPolarHBondContact CB-O 3.29Å; T109-E411 WeakPolarHBondContact CB-OE2 3.37Å; T109-E411 HydrophobicContact CG2-CB 4.2Å; T109-E411 WeakPolarHBondContact CG2-O 3.48Å; T109-E411 VanDerWaalsContact CG2-OE2 3.27Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.35Å; T109-E411 PolarHBondContact OG1-OE2 3.44Å; W407-E411 WeakPolarHBondContact O-CG 3.45Å; Y408-E411 PolarHBondContact O-N 3.04Å; M409-E411 PolarHBondContact O-N 3.17Å; M409-E411 VanDerWaalsContact O-N 3.11Å
412	G	93.3	Very high	96.4	Very high	58 Å²	58	60 Å²	60	60%	0.598	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	12.1	169.7	0	0	0	0	0	115.6	M409	M409-G412 PolarHBondContact O-N 2.95Å; M409-G412 VanDerWaalsContact O-N 3.11Å
413	M	97.4	Very high	96.5	Very high	6 Å²	6	60 Å²	60	3%	0.03	33%	0.325	C	S	.	.			trans	-84.5	138.2	169.9	-176.7	-178.2	165.8	0	0	110.3	Y103 A104 Y108 L189 Y408 M409 E417 F418	Y103-M413 HydrophobicContact CD1-SD 4.26Å; A104-M413 HydrophobicContact CB-CB 3.77Å; A104-M413 HydrophobicContact CB-SD 4.22Å; Y108-M413 HydrophobicContact CD2-CB 3.93Å; Y108-M413 HydrophobicContact CD2-CG 4.44Å; Y108-M413 HydrophobicContact CE2-CB 3.81Å; Y108-M413 HydrophobicContact CE2-CG 3.85Å; L189-M413 HydrophobicContact CD1-CE 3.61Å; L189-M413 HydrophobicContact CD1-SD 3.96Å; L189-M413 HydrophobicContact CD2-CE 3.33Å; L189-M413 HydrophobicContact CG-CE 4.1Å; Y408-M413 HydrophobicContact CD1-SD 3.97Å; Y408-M413 HydrophobicContact CG-SD 4.41Å; Y408-M413 WeakPolarHBondContact O-CB 3.48Å; Y408-M413 PolarHBondContact O-N 3.44Å; M409-M413 WeakPolarHBondContact CA-O 3.36Å; M413-E417 HydrophobicContact CE-CB 3.49Å; M413-E417 VanDerWaalsContact CE-CB 3.49Å; M413-E417 HydrophobicContact CE-CG 4.48Å; M413-E417 HydrophobicContact CG-CB 4.35Å; M413-E417 HydrophobicContact CG-CG 4.49Å; M413-E417 WeakPolarHBondContact CG-OE1 3.1Å; M413-E417 WeakPolarHBondContact CG-OE2 3.31Å; M413-F418 HydrophobicContact CE-CD2 3.66Å; M413-F418 HydrophobicContact CE-CE1 4.47Å; M413-F418 HydrophobicContact CE-CE2 3.55Å; M413-F418 HydrophobicContact CE-CG 4.17Å; M413-F418 HydrophobicContact CE-CZ 3.99Å; M413-F418 HydrophobicContact SD-CE2 3.97Å; M413-F418 HydrophobicContact SD-CZ 4.27Å
414	E	96.6	Very high	96.5	Very high	147 Å²	147	60 Å²	60	69%	0.687	32%	0.32	S	S	*	.			trans	-79.3	145.6	175.4	-64.7	-168.7	177.3	0	0	111.1	G416 E417	E414-G416 PolarHBondContact O-N 3.32Å; E414-E417 HydrophobicContact CB-CG 4.37Å; E414-E417 PolarHBondContact N-OE1 2.85Å; E414-E417 WeakPolarHBondContact O-CB 3.47Å; E414-E417 PolarHBondContact O-N 3.06Å
415	E	93.6	Very high	96.5	Very high	60 Å²	60	56 Å²	56	28%	0.28	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.9	179.4	-172.9	169	-154.9	0	0	112.2	R402 V405 M409 E417 F418	R402-E415 VanDerWaalsContact CD-OE1 3.31Å; R402-E415 WeakPolarHBondContact CD-OE1 3.43Å; R402-E415 IonicContact CZ-OE1 3.24Å; R402-E415 VanDerWaalsContact CZ-OE1 3.24Å; R402-E415 IonicContact NE-OE1 3.49Å; R402-E415 PolarHBondContact NE-OE1 3.47Å; R402-E415 IonicContact NH1-OE1 2.61Å; R402-E415 PolarHBondContact NH1-OE1 3.39Å; V405-E415 HydrophobicContact CG1-CG 4.22Å; M409-E415 HydrophobicContact CE-CB 4.07Å; M409-E415 HydrophobicContact CG-CB 4.4Å; M409-E415 HydrophobicContact SD-CB 3.99Å; M409-E415 HydrophobicContact SD-CG 4.32Å; E415-E417 PolarHBondContact O-N 3.13Å; E415-F418 PolarHBondContact O-N 2.85Å
416	G	95.3	Very high	96.5	Very high	35 Å²	35	57.9 Å²	57.9	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-33.5	176.9	0	0	0	0	0	113.4	E414 F418 S419 E420	E414-G416 PolarHBondContact O-N 3.32Å; G416-F418 PolarHBondContact O-N 2.94Å; G416-F418 VanDerWaalsContact O-N 3.17Å; G416-S419 WeakPolarHBondContact O-CB 3.49Å; G416-S419 PolarHBondContact O-N 2.81Å; G416-E420 PolarHBondContact O-N 3.19Å
417	E	97.2	Very high	96.5	Very high	34 Å²	34	54.4 Å²	54.4	16%	0.159	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-28.8	-179.5	-66.5	177.6	-126.2	0	0	112.6	Y108 M413 E414 E415 A421	Y108-E417 PolarHBondContact OH-OE1 3.1Å; Y108-E417 PolarHBondContact OH-OE2 2.81Å; M413-E417 HydrophobicContact CE-CB 3.49Å; M413-E417 VanDerWaalsContact CE-CB 3.49Å; M413-E417 HydrophobicContact CE-CG 4.48Å; M413-E417 HydrophobicContact CG-CB 4.35Å; M413-E417 HydrophobicContact CG-CG 4.49Å; M413-E417 WeakPolarHBondContact CG-OE1 3.1Å; M413-E417 WeakPolarHBondContact CG-OE2 3.31Å; E414-E417 HydrophobicContact CB-CG 4.37Å; E414-E417 PolarHBondContact N-OE1 2.85Å; E414-E417 WeakPolarHBondContact O-CB 3.47Å; E414-E417 PolarHBondContact O-N 3.06Å; E415-E417 PolarHBondContact O-N 3.13Å; E417-A421 VanDerWaalsContact O-CB 3.23Å; E417-A421 WeakPolarHBondContact O-CB 3.45Å; E417-A421 PolarHBondContact O-N 2.59Å
418	F	97.4	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-43	173.9	-79.1	-84.4	0	0	0	112.1	Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422	Y185-F418 HydrophobicContact CD1-CD1 4.44Å; Y185-F418 HydrophobicContact CD1-CE1 4.13Å; Y185-F418 AromaticContact CD2-CE1 3.92Å; Y185-F418 HydrophobicContact CD2-CE1 3.92Å; Y185-F418 HydrophobicContact CE1-CE1 4.49Å; Y185-F418 HydrophobicContact CE2-CE1 4.29Å; Y185-F418 AromaticContact CG-CE1 3.82Å; Y185-F418 HydrophobicContact CG-CE1 3.82Å; L189-F418 HydrophobicContact CD1-CD1 4.48Å; L189-F418 HydrophobicContact CD1-CE1 3.95Å; L189-F418 HydrophobicContact CD1-CZ 4.23Å; L189-F418 HydrophobicContact CD2-CD1 4.45Å; F395-F418 AromaticContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CZ-CB 4.14Å; F395-F418 AromaticContact CZ-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CD1 3.87Å; F395-F418 WeakPolarHBondContact CZ-O 3.37Å; Y399-F418 HydrophobicContact CD2-CB 4.24Å; Y399-F418 HydrophobicContact CD2-CD1 4.43Å; Y399-F418 HydrophobicContact CD2-CG 4.4Å; Y399-F418 HydrophobicContact CE1-CB 4.49Å; Y399-F418 HydrophobicContact CE2-CB 3.58Å; Y399-F418 HydrophobicContact CE2-CD1 4.42Å; Y399-F418 HydrophobicContact CE2-CD2 4.47Å; Y399-F418 AromaticContact CE2-CG 3.94Å; Y399-F418 HydrophobicContact CE2-CG 3.94Å; V405-F418 HydrophobicContact CG1-CD2 4.4Å; V405-F418 HydrophobicContact CG1-CE2 4.08Å; Y408-F418 AromaticContact CD1-CZ 3.78Å; Y408-F418 HydrophobicContact CD1-CZ 3.78Å; Y408-F418 AromaticContact CD2-CZ 3.82Å; Y408-F418 HydrophobicContact CD2-CZ 3.82Å; Y408-F418 HydrophobicContact CE1-CZ 4.33Å; Y408-F418 HydrophobicContact CE2-CZ 4.4Å; Y408-F418 HydrophobicContact CG-CE2 4.17Å; Y408-F418 AromaticContact CG-CZ 3.5Å; Y408-F418 HydrophobicContact CG-CZ 3.5Å; M413-F418 HydrophobicContact CE-CD2 3.66Å; M413-F418 HydrophobicContact CE-CE1 4.47Å; M413-F418 HydrophobicContact CE-CE2 3.55Å; M413-F418 HydrophobicContact CE-CG 4.17Å; M413-F418 HydrophobicContact CE-CZ 3.99Å; M413-F418 HydrophobicContact SD-CE2 3.97Å; M413-F418 HydrophobicContact SD-CZ 4.27Å; E415-F418 PolarHBondContact O-N 2.85Å; G416-F418 PolarHBondContact O-N 2.94Å; G416-F418 VanDerWaalsContact O-N 3.17Å; F418-R422 VanDerWaalsContact O-CB 3.31Å; F418-R422 WeakPolarHBondContact O-CB 3.43Å; F418-R422 PolarHBondContact O-N 3.36Å; F418-R422 VanDerWaalsContact O-N 3.1Å
419	S	95.9	Very high	96.3	Very high	43 Å²	43	48.8 Å²	48.8	30%	0.301	29%	0.29	S	S	.	.	H	α-helix	trans	-70.6	-43.7	-180	-56.9	0	0	0	0	110.4	Y399 G416 R422 E423	Y399-S419 PolarHBondContact OH-OG 3.34Å; Y399-S419 VanDerWaalsContact OH-OG 3.1Å; G416-S419 WeakPolarHBondContact O-CB 3.49Å; G416-S419 PolarHBondContact O-N 2.81Å; S419-R422 PolarHBondContact O-N 2.98Å; S419-E423 WeakPolarHBondContact O-CB 3.23Å; S419-E423 WeakPolarHBondContact O-CG 3.41Å; S419-E423 PolarHBondContact O-N 3.21Å
420	E	97.5	Very high	96.2	Very high	112 Å²	112	50.2 Å²	50.2	52%	0.523	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-48.2	177	-69.1	175.1	-175.1	0	0	111.6	G416 R422 E423 D424	G416-E420 PolarHBondContact O-N 3.19Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.97Å; E420-E423 PolarHBondContact O-N 2.75Å; E420-D424 PolarHBondContact O-N 2.85Å
421	A	97.6	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-38.5	177.1	0	0	0	0	0	112.1	I188 L189 H192 E417 M425	I188-A421 HydrophobicContact CG2-CB 3.92Å; L189-A421 HydrophobicContact CD2-CB 3.87Å; H192-A421 HydrophobicContact CB-CB 3.61Å; E417-A421 VanDerWaalsContact O-CB 3.23Å; E417-A421 WeakPolarHBondContact O-CB 3.45Å; E417-A421 PolarHBondContact O-N 2.59Å; A421-M425 VanDerWaalsContact O-CG 3.28Å; A421-M425 WeakPolarHBondContact O-CG 3.27Å; A421-M425 PolarHBondContact O-N 3.02Å; A421-M425 VanDerWaalsContact O-N 3.08Å
422	R	97.6	Very high	96.1	Very high	47 Å²	47	47.3 Å²	47.3	18%	0.177	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-38.2	178.1	177.4	59.9	-172.6	103.9	-9.7	112.7	D392 F395 D396 F418 S419 E420 M425 A426	D392-R422 IonicContact OD2-CZ 3.78Å; D392-R422 IonicContact OD2-NE 3.36Å; D392-R422 IonicContact OD2-NH1 3.88Å; D392-R422 PolarHBondContact OD2-NH1 3.08Å; D392-R422 IonicContact OD2-NH2 2.94Å; F395-R422 HydrophobicContact CD1-CB 4.34Å; F395-R422 HydrophobicContact CD1-CG 4.13Å; F395-R422 HydrophobicContact CE1-CB 3.72Å; F395-R422 HydrophobicContact CE1-CG 3.88Å; F395-R422 HydrophobicContact CZ-CB 4.08Å; D396-R422 WeakPolarHBondContact OD1-CD 3.2Å; D396-R422 IonicContact OD1-CZ 3.99Å; D396-R422 IonicContact OD1-NE 2.77Å; D396-R422 PolarHBondContact OD1-NE 3.28Å; D396-R422 IonicContact OD1-NH2 3.24Å; D396-R422 IonicContact OD2-CZ 3.26Å; D396-R422 IonicContact OD2-NE 3.67Å; D396-R422 PolarHBondContact OD2-NE 2.88Å; D396-R422 IonicContact OD2-NH2 2.92Å; D396-R422 PolarHBondContact OD2-NH2 3.36Å; F418-R422 VanDerWaalsContact O-CB 3.31Å; F418-R422 WeakPolarHBondContact O-CB 3.43Å; F418-R422 PolarHBondContact O-N 3.36Å; F418-R422 VanDerWaalsContact O-N 3.1Å; S419-R422 PolarHBondContact O-N 2.98Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.97Å; R422-M425 PolarHBondContact O-N 3.11Å; R422-A426 PolarHBondContact O-N 3.35Å
423	E	97.3	Very high	96.1	Very high	138 Å²	138	51.2 Å²	51.2	65%	0.645	27%	0.266	S	S	*	.	H	α-helix	trans	-65.8	-40.7	175.6	-75.3	174.9	-165.8	0	0	111.3	S419 E420 A426 A427	S419-E423 WeakPolarHBondContact O-CB 3.23Å; S419-E423 WeakPolarHBondContact O-CG 3.41Å; S419-E423 PolarHBondContact O-N 3.21Å; E420-E423 PolarHBondContact O-N 2.75Å; E423-A426 WeakPolarHBondContact O-CB 3.19Å; E423-A426 PolarHBondContact O-N 3.48Å; E423-A427 PolarHBondContact O-N 2.97Å
424	D	97.1	Very high	95.9	Very high	29 Å²	29	56.3 Å²	56.3	16%	0.155	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-37.9	175.4	-173.5	33.4	0	0	0	112.3	H192 R264 E420 A427 L428	H192-D424 IonicContact CE1-OD2 2.74Å; H192-D424 IonicContact CG-OD2 2.64Å; H192-D424 WeakPolarHBondContact ND1-CB 3.42Å; H192-D424 IonicContact ND1-OD2 3.91Å; H192-D424 PolarHBondContact ND1-OD2 3.28Å; R264-D424 IonicContact CZ-OD1 2.82Å; R264-D424 VanDerWaalsContact CZ-OD1 3.24Å; R264-D424 IonicContact NH1-OD1 2.71Å; R264-D424 PolarHBondContact NH1-OD1 3.09Å; R264-D424 PolarHBondContact NH2-O 3.07Å; R264-D424 IonicContact NH2-OD1 2.81Å; R264-D424 PolarHBondContact NH2-OD1 3.15Å; E420-D424 PolarHBondContact O-N 2.85Å; D424-A427 WeakPolarHBondContact O-CB 3.36Å; D424-A427 PolarHBondContact O-N 3.19Å; D424-L428 PolarHBondContact O-N 2.94Å
425	M	96.9	Very high	95.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-37.9	173	-67.8	-56.7	-57.7	0	0	112.4	I188 T191 W388 A421 R422 A427 L428 E429	I188-M425 HydrophobicContact CD1-CB 4.42Å; I188-M425 HydrophobicContact CD1-CE 4.33Å; I188-M425 HydrophobicContact CD1-CG 3.86Å; I188-M425 HydrophobicContact CG2-CG 3.93Å; T191-M425 HydrophobicContact CG2-CE 3.98Å; T191-M425 HydrophobicContact CG2-SD 3.52Å; T191-M425 VanDerWaalsContact CG2-SD 3.52Å; W388-M425 HydrophobicContact CB-CE 4.35Å; W388-M425 HydrophobicContact CD2-CE 3.69Å; W388-M425 HydrophobicContact CE3-CE 3.29Å; W388-M425 HydrophobicContact CG-CE 4.16Å; W388-M425 HydrophobicContact CZ3-CE 3.78Å; A421-M425 VanDerWaalsContact O-CG 3.28Å; A421-M425 WeakPolarHBondContact O-CG 3.27Å; A421-M425 PolarHBondContact O-N 3.02Å; A421-M425 VanDerWaalsContact O-N 3.08Å; R422-M425 PolarHBondContact O-N 3.11Å; M425-A427 VanDerWaalsContact C-N 3.31Å; M425-A427 PolarHBondContact O-N 2.83Å; M425-L428 HydrophobicContact CE-CD2 3.9Å; M425-L428 WeakPolarHBondContact O-CB 3.49Å; M425-L428 PolarHBondContact O-N 3.03Å; M425-L428 HydrophobicContact SD-CD2 4.19Å; M425-E429 PolarHBondContact O-N 3.39Å
426	A	95.7	Very high	95.2	Very high	42 Å²	42	48.3 Å²	48.3	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-39.9	172	0	0	0	0	0	111.8	R422 E423 L428 E429 K430	R422-A426 PolarHBondContact O-N 3.35Å; E423-A426 WeakPolarHBondContact O-CB 3.19Å; E423-A426 PolarHBondContact O-N 3.48Å; A426-L428 VanDerWaalsContact C-N 3.35Å; A426-E429 PolarHBondContact O-N 3.37Å; A426-K430 PolarHBondContact O-N 3.16Å
427	A	96.8	Very high	94.7	Very high	42 Å²	42	48.9 Å²	48.9	35%	0.347	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-40	173.9	0	0	0	0	0	111.5	E423 D424 M425 K430 D431	E423-A427 PolarHBondContact O-N 2.97Å; D424-A427 WeakPolarHBondContact O-CB 3.36Å; D424-A427 PolarHBondContact O-N 3.19Å; M425-A427 VanDerWaalsContact C-N 3.31Å; M425-A427 PolarHBondContact O-N 2.83Å; A427-K430 WeakPolarHBondContact O-CB 3.42Å; A427-K430 PolarHBondContact O-N 3.27Å; A427-D431 PolarHBondContact O-N 3.29Å
428	L	95.4	Very high	93.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-40.8	174.9	-176.9	64.4	0	0	0	112.5	L195 R264 F267 D424 M425 A426 K430 D431 Y432	L195-L428 HydrophobicContact CD1-CD2 4.37Å; R264-L428 HydrophobicContact CB-CD1 4.27Å; R264-L428 WeakPolarHBondContact O-CD1 3.22Å; F267-L428 HydrophobicContact CE2-CD2 4.11Å; D424-L428 PolarHBondContact O-N 2.94Å; M425-L428 HydrophobicContact CE-CD2 3.9Å; M425-L428 WeakPolarHBondContact O-CB 3.49Å; M425-L428 PolarHBondContact O-N 3.03Å; M425-L428 HydrophobicContact SD-CD2 4.19Å; A426-L428 VanDerWaalsContact C-N 3.35Å; L428-K430 VanDerWaalsContact C-N 3.32Å; L428-D431 WeakPolarHBondContact O-CB 3.5Å; L428-D431 PolarHBondContact O-N 3.45Å; L428-Y432 HydrophobicContact CD1-CD2 4.45Å; L428-Y432 HydrophobicContact CD1-CE2 4Å; L428-Y432 HydrophobicContact CG-CD2 4.31Å; L428-Y432 HydrophobicContact CG-CE2 4.01Å; L428-Y432 VanDerWaalsContact O-CD2 3.23Å; L428-Y432 WeakPolarHBondContact O-CD2 3.45Å; L428-Y432 PolarHBondContact O-N 3.15Å
429	E	94.4	Very high	91.6	Very high	40 Å²	40	53.8 Å²	53.8	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-45.3	173	-72.1	-176.4	174.2	0	0	111	W388 A389 M425 A426 D431 Y432 E433	W388-E429 HydrophobicContact CB-CG 4.37Å; A389-E429 WeakPolarHBondContact CA-OE1 3.34Å; A389-E429 PolarHBondContact N-OE1 2.93Å; A389-E429 VanDerWaalsContact N-OE1 3.16Å; M425-E429 PolarHBondContact O-N 3.39Å; A426-E429 PolarHBondContact O-N 3.37Å; E429-D431 VanDerWaalsContact C-N 3.34Å; E429-D431 PolarHBondContact O-N 3.37Å; E429-Y432 WeakPolarHBondContact O-CB 3.19Å; E429-Y432 PolarHBondContact O-N 2.9Å; E429-Y432 VanDerWaalsContact O-N 3.13Å; E429-E433 PolarHBondContact O-N 3.33Å
430	K	95.1	Very high	89.3	Confident	115 Å²	115	59.6 Å²	59.6	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-39.7	176	-164.4	-179.3	-175.5	-106.3	0	112.4	A426 A427 L428 Y432 E433 E434	A426-K430 PolarHBondContact O-N 3.16Å; A427-K430 WeakPolarHBondContact O-CB 3.42Å; A427-K430 PolarHBondContact O-N 3.27Å; L428-K430 VanDerWaalsContact C-N 3.32Å; K430-Y432 PolarHBondContact O-N 3.28Å; K430-E433 WeakPolarHBondContact O-CB 3.43Å; K430-E433 PolarHBondContact O-N 3.1Å; K430-E433 VanDerWaalsContact O-N 3.13Å; K430-E434 WeakPolarHBondContact CE-OE1 3.14Å; K430-E434 HydrophobicContact CG-CG 4.45Å; K430-E434 IonicContact NZ-OE1 3.68Å; K430-E434 PolarHBondContact NZ-OE1 2.98Å; K430-E434 WeakPolarHBondContact O-CG 3.46Å; K430-E434 PolarHBondContact O-N 3Å
431	D	95	Very high	86.9	Confident	41 Å²	41	60.5 Å²	60.5	22%	0.219	32%	0.32	C	S	.	.	H	α-helix	trans	-57.2	-40.5	175	-66.5	-29.5	0	0	0	110.9	R264 I265 A427 L428 E429 V435	R264-D431 IonicContact CZ-OD2 3.22Å; R264-D431 IonicContact NE-OD2 3.97Å; R264-D431 PolarHBondContact NE-OD2 3.16Å; R264-D431 IonicContact NH2-OD2 3.59Å; I265-D431 HydrophobicContact CD1-CB 4.17Å; I265-D431 HydrophobicContact CG1-CB 4.36Å; A427-D431 PolarHBondContact O-N 3.29Å; L428-D431 WeakPolarHBondContact O-CB 3.5Å; L428-D431 PolarHBondContact O-N 3.45Å; E429-D431 VanDerWaalsContact C-N 3.34Å; E429-D431 PolarHBondContact O-N 3.37Å; D431-V435 VanDerWaalsContact O-CG2 3.31Å; D431-V435 WeakPolarHBondContact O-CG2 3.5Å; D431-V435 PolarHBondContact O-N 3.12Å; D431-V435 VanDerWaalsContact O-N 3.14Å
432	Y	95	Very high	84.2	Confident	3 Å²	3	63.7 Å²	63.7	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-70	-36.8	175.8	-80.1	-71.1	0	0	0	113.4	I265 M313 T382 I384 A385 L428 E429 K430 G436	I265-Y432 HydrophobicContact CB-CE1 4.36Å; I265-Y432 HydrophobicContact CG1-CE1 4.33Å; I265-Y432 HydrophobicContact CG2-CD1 4.07Å; I265-Y432 HydrophobicContact CG2-CE1 3.33Å; M313-Y432 HydrophobicContact CE-CE1 4.26Å; T382-Y432 HydrophobicContact CG2-CD1 4.3Å; I384-Y432 HydrophobicContact CG2-CE1 3.71Å; I384-Y432 HydrophobicContact CG2-CE2 4.34Å; I384-Y432 WeakPolarHBondContact CG2-OH 3.22Å; A385-Y432 HydrophobicContact CB-CD2 4.1Å; A385-Y432 HydrophobicContact CB-CG 3.97Å; L428-Y432 HydrophobicContact CD1-CD2 4.45Å; L428-Y432 HydrophobicContact CD1-CE2 4Å; L428-Y432 HydrophobicContact CG-CD2 4.31Å; L428-Y432 HydrophobicContact CG-CE2 4.01Å; L428-Y432 VanDerWaalsContact O-CD2 3.23Å; L428-Y432 WeakPolarHBondContact O-CD2 3.45Å; L428-Y432 PolarHBondContact O-N 3.15Å; E429-Y432 WeakPolarHBondContact O-CB 3.19Å; E429-Y432 PolarHBondContact O-N 2.9Å; E429-Y432 VanDerWaalsContact O-N 3.13Å; K430-Y432 PolarHBondContact O-N 3.28Å; Y432-G436 PolarHBondContact O-N 3.17Å
433	E	92.9	Very high	81.4	Confident	141 Å²	141	65.2 Å²	65.2	66%	0.659	36%	0.361	S	S	*	.	H	α-helix	trans	-63.8	-46.9	174.9	-70.1	179.9	169.4	0	0	111.2	E429 K430 V435 G436 A437	E429-E433 PolarHBondContact O-N 3.33Å; K430-E433 WeakPolarHBondContact O-CB 3.43Å; K430-E433 PolarHBondContact O-N 3.1Å; K430-E433 VanDerWaalsContact O-N 3.13Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 3.42Å; E433-G436 CarbonylContact O-C 3.6Å; E433-G436 WeakPolarHBondContact O-CA 3.34Å; E433-G436 PolarHBondContact O-N 3.11Å; E433-A437 PolarHBondContact O-N 3.11Å
434	E	92.6	Very high	78.8	Confident	112 Å²	112	63.6 Å²	63.6	52%	0.523	36%	0.361	S	S	.	.	H	α-helix	trans	-61.5	-40.4	178.5	-72.4	-179.1	-170.6	0	0	111.9	K430 G436 A437	K430-E434 WeakPolarHBondContact CE-OE1 3.14Å; K430-E434 HydrophobicContact CG-CG 4.45Å; K430-E434 IonicContact NZ-OE1 3.68Å; K430-E434 PolarHBondContact NZ-OE1 2.98Å; K430-E434 WeakPolarHBondContact O-CG 3.46Å; K430-E434 PolarHBondContact O-N 3Å; E434-G436 VanDerWaalsContact C-N 3.3Å; E434-G436 PolarHBondContact O-N 3.12Å; E434-A437 PolarHBondContact O-N 2.85Å
435	V	90.5	Very high	76.1	Confident	19 Å²	19	69.2 Å²	69.2	12%	0.115	39%	0.39	C	S	.	.	H	α-helix	trans	-71	-27.1	175	173.6	0	0	0	0	112.5	Y262 I265 M313 V344 W346 T382 D431 E433	Y262-V435 HydrophobicContact CD2-CG2 4.04Å; Y262-V435 HydrophobicContact CE2-CG2 3.8Å; I265-V435 HydrophobicContact CD1-CB 4.34Å; I265-V435 HydrophobicContact CD1-CG2 3.6Å; M313-V435 HydrophobicContact CG-CG1 3.84Å; M313-V435 HydrophobicContact SD-CG1 3.62Å; V344-V435 HydrophobicContact CG1-CG1 4.28Å; W346-V435 HydrophobicContact CZ2-CG1 4.22Å; T382-V435 HydrophobicContact CG2-CB 4.33Å; T382-V435 HydrophobicContact CG2-CG1 4.02Å; D431-V435 VanDerWaalsContact O-CG2 3.31Å; D431-V435 WeakPolarHBondContact O-CG2 3.5Å; D431-V435 PolarHBondContact O-N 3.12Å; D431-V435 VanDerWaalsContact O-N 3.14Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 3.42Å
436	G	86	Confident	73.5	Confident	20 Å²	20	76.4 Å²	76.4	21%	0.206	43%	0.429	C	S	.	.	H	α-helix	trans	-76	-25	175.8	0	0	0	0	0	113.8	K311 Y432 E433 E434	K311-G436 WeakPolarHBondContact CD-O 3.43Å; K311-G436 VanDerWaalsContact CE-O 3.28Å; K311-G436 WeakPolarHBondContact CE-O 3.29Å; K311-G436 PolarHBondContact NZ-O 2.99Å; Y432-G436 PolarHBondContact O-N 3.17Å; E433-G436 CarbonylContact O-C 3.6Å; E433-G436 WeakPolarHBondContact O-CA 3.34Å; E433-G436 PolarHBondContact O-N 3.11Å; E434-G436 VanDerWaalsContact C-N 3.3Å; E434-G436 PolarHBondContact O-N 3.12Å
437	A	85.1	Confident	70.8	Confident	47 Å²	47	80.3 Å²	80.3	39%	0.388	44%	0.443	S	S	.	.	S	Bend	trans	-66	137.6	178.1	0	0	0	0	0	111.1	E433 E434	E433-A437 PolarHBondContact O-N 3.11Å; E434-A437 PolarHBondContact O-N 2.85Å
438	D	70.4	Confident	68.2	Low	68 Å²	68	81.4 Å²	81.4	36%	0.364	46%	0.458	S	S	.	.			trans	-74	141.5	172.6	-79.1	-45.1	0	0	0	110.3	K311 Q440 E441	K311-D438 IonicContact NZ-OD1 3.81Å; K311-D438 PolarHBondContact NZ-OD1 3.31Å; K311-D438 IonicContact NZ-OD2 3.77Å; K311-D438 PolarHBondContact NZ-OD2 3.04Å; D438-Q440 PolarHBondContact O-N 3.48Å; D438-E441 PolarHBondContact O-N 2.61Å
439	S	59.5	Low	65.6	Low	70 Å²	70	90.4 Å²	90.4	49%	0.49	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-15.8	175.8	-56	0	0	0	0	114	D345	D345-S439 WeakPolarHBondContact OD2-CB 3.47Å; D345-S439 PolarHBondContact OD2-OG 3.14Å
440	Q	46.8	Very low	62.9	Low	165 Å²	165	96.8 Å²	96.8	77%	0.771	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-28.3	176.3	-66.5	-173.3	-0.8	0	0	113.4	D438 T443	D438-Q440 PolarHBondContact O-N 3.48Å; Q440-T443 PolarHBondContact O-OG1 3.49Å
441	E	46.5	Very low	60.1	Low	130 Å²	130	105.6 Å²	105.6	61%	0.607	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-34.9	178	-75.1	-177.8	157.5	0	0	111.7	D438 T443 V444	D438-E441 PolarHBondContact O-N 2.61Å; E441-T443 PolarHBondContact O-N 3.5Å; E441-T443 VanDerWaalsContact O-N 3.09Å; E441-V444 PolarHBondContact O-N 3.1Å; E441-V444 VanDerWaalsContact O-N 3.13Å
442	A	42.1	Very low	58.4	Low	67 Å²	67	108.8 Å²	108.8	55%	0.554	58%	0.579	S	S	*	*	H	α-helix	trans	-63.2	-17.1	177.4	0	0	0	0	0	114.3
443	T	38.1	Very low	56.5	Low	80 Å²	80	114.4 Å²	114.4	49%	0.491	61%	0.609	S	S	.	*	H	α-helix	trans	-88.4	-10.2	177.8	57.9	0	0	0	0	114.4	Q440 E441 I447	Q440-T443 PolarHBondContact O-OG1 3.49Å; E441-T443 PolarHBondContact O-N 3.5Å; E441-T443 VanDerWaalsContact O-N 3.09Å; T443-I447 WeakPolarHBondContact O-CD1 3.31Å; T443-I447 VanDerWaalsContact O-CG1 3.27Å; T443-I447 WeakPolarHBondContact O-CG1 3.38Å
444	V	42.1	Very low	54.5	Low	104 Å²	104	112.9 Å²	112.9	63%	0.63	61%	0.606	S	S	*	*	H	α-helix	trans	-90.3	-32.6	-176	-173.6	0	0	0	0	111.8	E441	E441-V444 PolarHBondContact O-N 3.1Å; E441-V444 VanDerWaalsContact O-N 3.13Å
445	D	42	Very low	52.2	Low	146 Å²	146	112.9 Å²	112.9	78%	0.781	61%	0.611	S	S	*	*	H	α-helix	trans	-83.7	-22	-177.8	-71.7	-22.6	0	0	0	113.7
446	D	40.9	Very low	49.8	Very low	153 Å²	153	118.8 Å²	118.8	82%	0.818	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-1.8	-178.2	-122.9	3.6	0	0	0	114.1
447	I	40	Very low	47.4	Very low	124 Å²	124	125.4 Å²	125.4	64%	0.636	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	0.3	177.9	-52.2	176.4	0	0	0	111.1	T443	T443-I447 WeakPolarHBondContact O-CD1 3.31Å; T443-I447 VanDerWaalsContact O-CG1 3.27Å; T443-I447 WeakPolarHBondContact O-CG1 3.38Å
448	G	41.6	Very low	44.7	Very low	64 Å²	64	131 Å²	131	66%	0.66	69%	0.691	S	S	*	*	S	Bend	trans	-88.5	-11.3	-174.9	0	0	0	0	0	116.9
449	E	40.3	Very low	42.7	Very low	190 Å²	190	135.8 Å²	135.8	89%	0.888	72%	0.716	S	S	*	*	S	Bend	trans	-114.6	10.7	-171.9	-74	-157	159.3	0	0	116.4
450	E	38	Very low	41.3	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	74%	0.735	S	S	*	*			trans	-129.8	82.8	167.2	-81.5	-164.6	155.8	0	0	111.8
451	Y	37.7	Very low	40.8	Very low	300 Å²	300	139.2 Å²	139.2	100%	1.176	73%	0.732	S	S	*	*			trans	-152.3	0	146.7	-81.4	-62.2	0	0	0	112.7

Retrieved 451 of 451 residues in 238.4 ms (Link to these results)

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