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Tubulin beta 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 (A0A3B4XR20), UniProt , Accession A0A087YKS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.9	Low	90	Very high	145 Å²	145	33.4 Å²	33.4	71%	0.714	15%	0.152	S	C	*	.				0	126.7	0	-59.5	-166.7	-85.4	0	0	106.6	D128	M1-D128 HydrophobicContact CB-CB 4.26Å; M1-D128 VanDerWaalsContact CE-OD2 3.25Å; M1-D128 WeakPolarHBondContact CE-OD2 3.44Å
2	R	80	Confident	90.1	Very high	96 Å²	96	33 Å²	33	36%	0.362	16%	0.156	S	C	.	.			trans	-157.1	79.8	-161.6	-73.7	-171.6	176.5	-168.5	-15.4	108.6	V49 C129 Q131 D249	R2-V49 WeakPolarHBondContact O-CG2 2.83Å; R2-C129 WeakPolarHBondContact CA-O 3.25Å; R2-Q131 HydrophobicContact CB-CG 3.69Å; R2-Q131 VanDerWaalsContact CB-NE2 3.34Å; R2-Q131 HydrophobicContact CG-CG 4.34Å; R2-Q131 PolarHBondContact O-NE2 3.15Å; R2-D249 IonicContact CZ-OD2 3.07Å; R2-D249 IonicContact NH1-OD2 2.97Å; R2-D249 PolarHBondContact NH1-OD2 3.48Å; R2-D249 IonicContact NH2-OD2 3.77Å; R2-D249 PolarHBondContact NH2-OD2 3.49Å
3	E	92.3	Very high	90.4	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.023	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	154.7	-168.2	-53.6	98	119	0	0	113.5	N48 R62 C127 D128 C129 Q131	E3-N48 WeakPolarHBondContact CG-O 3.47Å; E3-R62 IonicContact OE1-NH2 3.34Å; E3-C127 WeakPolarHBondContact OE1-CA 3.36Å; E3-D128 PolarHBondContact OE1-N 3.22Å; E3-C129 PolarHBondContact N-O 3.15Å; E3-C129 VanDerWaalsContact N-O 3.15Å; E3-C129 VanDerWaalsContact OE2-C 3.28Å; E3-C129 PolarHBondContact OE2-N 3.01Å; E3-Q131 WeakPolarHBondContact O-CB 3.43Å; E3-Q131 PolarHBondContact O-N 2.91Å
4	I	94.8	Very high	90.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.2	-179.7	-63.2	169.2	0	0	0	108.1	V49 Y50 R62 Q131 Q134 L240 L250	I4-V49 HydrophobicContact CD1-CG1 3.77Å; I4-V49 HydrophobicContact CG1-CG1 4.1Å; I4-V49 PolarHBondContact N-O 2.84Å; I4-Y50 HydrophobicContact CB-CE1 4.35Å; I4-Y50 HydrophobicContact CD1-CE2 4.2Å; I4-Y50 HydrophobicContact CG2-CE1 4.15Å; I4-R62 WeakPolarHBondContact O-CD 3.33Å; I4-Q131 HydrophobicContact CG1-CB 4.21Å; I4-Q134 HydrophobicContact CG2-CB 3.93Å; I4-L240 HydrophobicContact CD1-CD1 3.67Å; I4-L250 HydrophobicContact CD1-CD1 3.74Å; I4-L250 HydrophobicContact CD1-CG 4.13Å; I4-L250 HydrophobicContact CG1-CD1 3.95Å
5	V	96.4	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.7	171	175.4	0	0	0	0	108	L7 R62 I64 E123 L130 G132 F133 Q134	V5-L7 HydrophobicContact CG1-CD1 4.16Å; V5-R62 HydrophobicContact CG2-CG 4.07Å; V5-I64 HydrophobicContact CG1-CD1 3.85Å; V5-I64 HydrophobicContact CG1-CG1 4.47Å; V5-E123 HydrophobicContact CG1-CB 4.48Å; V5-E123 HydrophobicContact CG2-CB 4.18Å; V5-L130 HydrophobicContact CB-CD1 4.43Å; V5-L130 HydrophobicContact CG2-CD1 3.75Å; V5-G132 PolarHBondContact N-O 3.28Å; V5-F133 HydrophobicContact CB-CD1 3.69Å; V5-F133 HydrophobicContact CB-CE1 3.92Å; V5-F133 HydrophobicContact CG1-CD1 4Å; V5-F133 HydrophobicContact CG1-CE1 4.2Å; V5-F133 HydrophobicContact CG2-CD1 4.48Å; V5-F133 HydrophobicContact CG2-CE1 4.24Å; V5-F133 WeakPolarHBondContact O-CA 3.49Å; V5-Q134 PolarHBondContact O-N 3.36Å
6	H	97.4	Very high	91	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.8	179.7	-175.8	72.1	0	0	0	110.5	Q8 W21 R62 A63 I64 Q134	H6-Q8 PolarHBondContact CD2-NE2 3.38Å; H6-Q8 VanDerWaalsContact NE2-CG 3.31Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.16Å; H6-Q8 PolarHBondContact NE2-NE2 3.29Å; H6-W21 HydrophobicContact CB-CZ2 3.76Å; H6-W21 AromaticContact CD2-CE2 3.83Å; H6-W21 AromaticContact CD2-CZ2 3.92Å; H6-W21 AromaticContact CD2-NE1 3.25Å; H6-W21 PolarHBondContact CD2-NE1 3.1Å; H6-W21 AromaticContact NE2-NE1 3.72Å; H6-R62 PolarHBondContact N-O 2.69Å; H6-A63 CarbonylContact O-C 3.53Å; H6-A63 VanDerWaalsContact O-CA 3.3Å; H6-A63 WeakPolarHBondContact O-CA 3.44Å; H6-I64 PolarHBondContact O-N 3.26Å; H6-Q134 CarbonylContact C-O 3.58Å; H6-Q134 WeakPolarHBondContact CA-O 3.27Å; H6-Q134 PolarHBondContact ND1-O 3.46Å
7	L	97.3	Very high	91.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.4	175.7	-63.8	95.8	0	0	0	109.8	V5 I64 V120 F133 Q134 L135 T136 I155	V5-L7 HydrophobicContact CG1-CD1 4.16Å; L7-I64 WeakPolarHBondContact CA-O 3.46Å; L7-V120 HydrophobicContact CD2-CG2 3.82Å; L7-F133 HydrophobicContact CD1-CB 3.96Å; L7-F133 HydrophobicContact CD1-CD1 3.83Å; L7-F133 HydrophobicContact CD1-CG 4.33Å; L7-Q134 PolarHBondContact N-O 3.41Å; L7-L135 HydrophobicContact CB-CD1 3.61Å; L7-L135 CarbonylContact O-C 3.45Å; L7-L135 VanDerWaalsContact O-CA 3.32Å; L7-L135 WeakPolarHBondContact O-CA 3.28Å; L7-T136 PolarHBondContact O-N 3.15Å; L7-T136 PolarHBondContact O-OG1 3.48Å; L7-I155 HydrophobicContact CD1-CD1 4.31Å; L7-I155 HydrophobicContact CD2-CD1 3.79Å
8	Q	96.2	Very high	91.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121	176.5	-52	-177.7	10.8	0	0	108.5	H6 N14 G17 I64 V66 T136	H6-Q8 PolarHBondContact CD2-NE2 3.38Å; H6-Q8 VanDerWaalsContact NE2-CG 3.31Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.16Å; H6-Q8 PolarHBondContact NE2-NE2 3.29Å; Q8-N14 PolarHBondContact OE1-O 3.45Å; Q8-G17 VanDerWaalsContact CD-CA 3.44Å; Q8-G17 VanDerWaalsContact NE2-C 3.32Å; Q8-G17 VanDerWaalsContact NE2-CA 3.31Å; Q8-I64 PolarHBondContact N-O 3.41Å; Q8-V66 WeakPolarHBondContact O-CA 3.26Å; Q8-V66 PolarHBondContact O-N 3.35Å; Q8-T136 WeakPolarHBondContact CG-OG1 3.44Å
9	A	95.5	Very high	91.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.4	-176.5	0	0	0	0	0	112.2	V66 L135 T136 H137 G144	A9-V66 WeakPolarHBondContact CA-O 3.08Å; A9-L135 HydrophobicContact CB-CD1 4Å; A9-T136 PolarHBondContact N-O 2.82Å; A9-H137 HydrophobicContact CB-CB 4.29Å; A9-G144 WeakPolarHBondContact O-CA 3.31Å
10	G	93.9	Very high	91.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	72.3	176.6	176.9	0	0	0	0	0	114.2	C12 G13 N14 V66	G10-C12 PolarHBondContact O-N 3.39Å; G10-G13 PolarHBondContact O-N 3.48Å; G10-N14 WeakPolarHBondContact O-CB 3.27Å; G10-N14 PolarHBondContact O-N 3.17Å; G10-N14 PolarHBondContact O-ND2 3.43Å; G10-V66 PolarHBondContact N-O 2.99Å
11	Q	91.9	Very high	91.7	Very high	117 Å²	117	26.6 Å²	26.6	55%	0.547	13%	0.127	S	C	.	.	H	α-helix	trans	-55.6	-50.2	-174	-171.2	-175.2	12.4	0	0	113.5	Q15 D67	Q11-Q15 VanDerWaalsContact O-CG 3.31Å; Q11-Q15 WeakPolarHBondContact O-CG 3.34Å; Q11-Q15 PolarHBondContact O-N 2.95Å; Q11-Q15 VanDerWaalsContact O-N 3.08Å; Q11-D67 PolarHBondContact N-OD2 2.85Å
12	C	91.6	Very high	93.6	Very high	29 Å²	29	21.2 Å²	21.2	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-66.1	-44.7	-179.3	-178.8	0	0	0	0	111.9	G10 N14 Q15 I16	G10-C12 PolarHBondContact O-N 3.39Å; C12-N14 VanDerWaalsContact C-N 3.35Å; C12-N14 PolarHBondContact O-N 3.41Å; C12-Q15 PolarHBondContact O-N 2.77Å; C12-I16 PolarHBondContact O-N 2.97Å; C12-I16 VanDerWaalsContact SG-CD1 3.54Å
13	G	93.4	Very high	94.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-43.5	178.8	0	0	0	0	0	112.8	G10 G17 T136	G10-G13 PolarHBondContact O-N 3.48Å; G13-G17 WeakPolarHBondContact O-CA 3.42Å; G13-G17 PolarHBondContact O-N 3.07Å; G13-T136 VanDerWaalsContact CA-O 3.23Å; G13-T136 WeakPolarHBondContact CA-O 3.4Å; G13-T136 PolarHBondContact O-OG1 3.45Å
14	N	94.7	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.6	-37.2	177.3	-76.2	-68.3	0	0	0	112.8	Q8 G10 C12 A18 V66 T72 V76	Q8-N14 PolarHBondContact OE1-O 3.45Å; G10-N14 WeakPolarHBondContact O-CB 3.27Å; G10-N14 PolarHBondContact O-N 3.17Å; G10-N14 PolarHBondContact O-ND2 3.43Å; C12-N14 VanDerWaalsContact C-N 3.35Å; C12-N14 PolarHBondContact O-N 3.41Å; N14-A18 WeakPolarHBondContact O-CB 3.3Å; N14-A18 PolarHBondContact O-N 2.8Å; N14-V66 PolarHBondContact ND2-O 3.21Å; N14-T72 HydrophobicContact CB-CG2 3.63Å; N14-V76 HydrophobicContact CB-CG2 4.07Å
15	Q	92.5	Very high	94.2	Very high	71 Å²	71	18 Å²	18	33%	0.332	9%	0.092	S	C	.	.	H	α-helix	trans	-67.4	-45.7	177.1	-74.5	178.8	21.6	0	0	112.4	Q11 C12 K19	Q11-Q15 VanDerWaalsContact O-CG 3.31Å; Q11-Q15 WeakPolarHBondContact O-CG 3.34Å; Q11-Q15 PolarHBondContact O-N 2.95Å; Q11-Q15 VanDerWaalsContact O-N 3.08Å; C12-Q15 PolarHBondContact O-N 2.77Å; Q15-K19 PolarHBondContact O-N 3.19Å; Q15-K19 VanDerWaalsContact O-N 3.16Å
16	I	93.3	Very high	93.9	Very high	5 Å²	5	21 Å²	21	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-67.3	-44.6	177.5	-70.9	168.2	0	0	0	110.1	C12 A18 K19 F20 T136 V169 N226 V229 M233	C12-I16 PolarHBondContact O-N 2.97Å; C12-I16 VanDerWaalsContact SG-CD1 3.54Å; I16-A18 PolarHBondContact O-N 3.14Å; I16-K19 CarbonylContact O-C 3.57Å; I16-K19 PolarHBondContact O-N 2.76Å; I16-F20 WeakPolarHBondContact O-CB 3.38Å; I16-F20 PolarHBondContact O-N 3.15Å; I16-T136 HydrophobicContact CG2-CG2 4.5Å; I16-V169 HydrophobicContact CD1-CG2 3.38Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.36Å; I16-V229 HydrophobicContact CD1-CG1 4.23Å; I16-V229 HydrophobicContact CG1-CG1 4.35Å; I16-V229 HydrophobicContact CG2-CB 4.33Å; I16-V229 HydrophobicContact CG2-CG1 3.46Å; I16-V229 VanDerWaalsContact CG2-CG1 3.46Å; I16-M233 HydrophobicContact CG2-SD 3.47Å; I16-M233 WeakPolarHBondContact CG2-SD 3.31Å
17	G	94.3	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-41.5	178.1	0	0	0	0	0	112.6	Q8 G13 K19 F20 W21	Q8-G17 VanDerWaalsContact CD-CA 3.44Å; Q8-G17 VanDerWaalsContact NE2-C 3.32Å; Q8-G17 VanDerWaalsContact NE2-CA 3.31Å; G13-G17 WeakPolarHBondContact O-CA 3.42Å; G13-G17 PolarHBondContact O-N 3.07Å; G17-K19 PolarHBondContact O-N 3.42Å; G17-F20 WeakPolarHBondContact O-CB 3.45Å; G17-F20 PolarHBondContact O-N 3.31Å; G17-W21 PolarHBondContact O-N 2.84Å
18	A	93.8	Very high	93.3	Very high	18 Å²	18	21.4 Å²	21.4	15%	0.149	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-46.6	172.2	0	0	0	0	0	111.4	N14 I16 F20 W21 E22	N14-A18 WeakPolarHBondContact O-CB 3.3Å; N14-A18 PolarHBondContact O-N 2.8Å; I16-A18 PolarHBondContact O-N 3.14Å; A18-F20 VanDerWaalsContact C-N 3.35Å; A18-F20 PolarHBondContact O-N 2.76Å; A18-W21 PolarHBondContact O-N 3.33Å; A18-E22 WeakPolarHBondContact O-CG 3.48Å; A18-E22 PolarHBondContact O-N 3.06Å
19	K	93.1	Very high	93	Very high	68 Å²	68	22.1 Å²	22.1	30%	0.296	12%	0.117	S	C	.	.	H	α-helix	trans	-64.9	-35.9	175.6	-71.4	-55.7	-179.6	-156.2	0	113.6	Q15 I16 G17 E22 V23 N226	Q15-K19 PolarHBondContact O-N 3.19Å; Q15-K19 VanDerWaalsContact O-N 3.16Å; I16-K19 CarbonylContact O-C 3.57Å; I16-K19 PolarHBondContact O-N 2.76Å; G17-K19 PolarHBondContact O-N 3.42Å; K19-E22 VanDerWaalsContact CD-OE2 3.31Å; K19-E22 WeakPolarHBondContact CD-OE2 3.31Å; K19-E22 IonicContact NZ-OE1 3.53Å; K19-E22 PolarHBondContact NZ-OE1 2.88Å; K19-E22 IonicContact NZ-OE2 3.92Å; K19-E22 PolarHBondContact NZ-OE2 3.14Å; K19-E22 PolarHBondContact O-N 2.97Å; K19-V23 WeakPolarHBondContact O-CG2 3.34Å; K19-V23 PolarHBondContact O-N 3.3Å; K19-N226 HydrophobicContact CG-CB 4.06Å
20	F	94.8	Very high	92.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.7	-50.7	172.2	169.6	-107.6	0	0	0	110.9	I16 G17 A18 E22 V23 I24 Y50 M233 T237	I16-F20 WeakPolarHBondContact O-CB 3.38Å; I16-F20 PolarHBondContact O-N 3.15Å; G17-F20 WeakPolarHBondContact O-CB 3.45Å; G17-F20 PolarHBondContact O-N 3.31Å; A18-F20 VanDerWaalsContact C-N 3.35Å; A18-F20 PolarHBondContact O-N 2.76Å; F20-E22 PolarHBondContact O-N 2.87Å; F20-V23 PolarHBondContact O-N 2.98Å; F20-I24 HydrophobicContact CD1-CD1 4.32Å; F20-I24 HydrophobicContact CD2-CG2 4.01Å; F20-I24 HydrophobicContact CE1-CD1 3.65Å; F20-I24 HydrophobicContact CE1-CG1 4.33Å; F20-I24 HydrophobicContact CE2-CD1 4.44Å; F20-I24 HydrophobicContact CE2-CG2 3.58Å; F20-I24 HydrophobicContact CZ-CD1 3.73Å; F20-I24 HydrophobicContact CZ-CG1 4.37Å; F20-I24 HydrophobicContact CZ-CG2 3.95Å; F20-I24 WeakPolarHBondContact O-CG1 3.46Å; F20-I24 PolarHBondContact O-N 3.48Å; F20-Y50 HydrophobicContact CE1-CD1 4.27Å; F20-Y50 AromaticContact CE1-CE1 3.97Å; F20-Y50 HydrophobicContact CE1-CE1 3.97Å; F20-Y50 HydrophobicContact CZ-CD1 4.42Å; F20-Y50 AromaticContact CZ-CE1 3.89Å; F20-Y50 HydrophobicContact CZ-CE1 3.89Å; F20-M233 HydrophobicContact CB-CE 3.73Å; F20-M233 HydrophobicContact CB-SD 4.02Å; F20-M233 HydrophobicContact CD1-CE 4.09Å; F20-M233 HydrophobicContact CD2-CB 3.55Å; F20-M233 HydrophobicContact CD2-CE 3.72Å; F20-M233 HydrophobicContact CD2-SD 4.3Å; F20-M233 HydrophobicContact CE2-CB 3.98Å; F20-M233 HydrophobicContact CE2-CE 4.33Å; F20-M233 HydrophobicContact CG-CB 4.45Å; F20-M233 HydrophobicContact CG-CE 3.57Å; F20-M233 HydrophobicContact CG-SD 4.33Å; F20-T237 HydrophobicContact CE2-CG2 4.26Å; F20-T237 HydrophobicContact CZ-CG2 4.3Å
21	W	95.4	Very high	92.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-37.6	178	-73.4	112	0	0	0	113.6	H6 G17 A18 I24 S25 Y50 Y51 P61 A63 F85	H6-W21 HydrophobicContact CB-CZ2 3.76Å; H6-W21 AromaticContact CD2-CE2 3.83Å; H6-W21 AromaticContact CD2-CZ2 3.92Å; H6-W21 AromaticContact CD2-NE1 3.25Å; H6-W21 PolarHBondContact CD2-NE1 3.1Å; H6-W21 AromaticContact NE2-NE1 3.72Å; G17-W21 PolarHBondContact O-N 2.84Å; A18-W21 PolarHBondContact O-N 3.33Å; W21-I24 HydrophobicContact CD2-CD1 4.22Å; W21-I24 HydrophobicContact CE3-CD1 3.44Å; W21-I24 VanDerWaalsContact CE3-CD1 3.44Å; W21-I24 HydrophobicContact CE3-CG1 3.92Å; W21-I24 HydrophobicContact CH2-CD1 4.29Å; W21-I24 HydrophobicContact CZ3-CD1 3.49Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.49Å; W21-I24 HydrophobicContact CZ3-CG1 4.42Å; W21-S25 WeakPolarHBondContact O-CB 3.29Å; W21-S25 PolarHBondContact O-N 2.99Å; W21-S25 PolarHBondContact O-OG 2.95Å; W21-Y50 AromaticContact CH2-CD1 3.72Å; W21-Y50 HydrophobicContact CH2-CD1 3.72Å; W21-Y50 HydrophobicContact CH2-CG 4.21Å; W21-Y50 VanDerWaalsContact CH2-O 3.3Å; W21-Y50 WeakPolarHBondContact CH2-O 3.27Å; W21-Y50 HydrophobicContact CZ2-CD1 4.31Å; W21-Y50 HydrophobicContact CZ3-CD1 4.34Å; W21-Y50 HydrophobicContact CZ3-CG 4.49Å; W21-Y51 HydrophobicContact CE3-CE1 4.24Å; W21-Y51 AromaticContact CE3-CZ 3.94Å; W21-Y51 HydrophobicContact CZ3-CD2 4.5Å; W21-Y51 HydrophobicContact CZ3-CE1 4.08Å; W21-Y51 HydrophobicContact CZ3-CE2 4.03Å; W21-Y51 AromaticContact CZ3-CZ 3.8Å; W21-P61 HydrophobicContact CD2-CB 3.88Å; W21-P61 HydrophobicContact CD2-CG 4.17Å; W21-P61 HydrophobicContact CE3-CB 3.65Å; W21-P61 HydrophobicContact CE3-CG 3.75Å; W21-P61 HydrophobicContact CH2-CB 3.67Å; W21-P61 HydrophobicContact CZ2-CB 3.88Å; W21-P61 HydrophobicContact CZ3-CB 3.54Å; W21-P61 HydrophobicContact CZ3-CG 3.97Å; W21-A63 HydrophobicContact CZ2-CB 3.7Å; W21-F85 HydrophobicContact CB-CE1 4.36Å; W21-F85 HydrophobicContact CB-CZ 3.89Å; W21-F85 AromaticContact CD1-CE1 3.46Å; W21-F85 VanDerWaalsContact CD1-CE1 3.46Å; W21-F85 AromaticContact CD1-CZ 3.49Å; W21-F85 VanDerWaalsContact CD1-CZ 3.49Å; W21-F85 HydrophobicContact CD2-CE1 4.27Å; W21-F85 AromaticContact CG-CE1 3.79Å; W21-F85 HydrophobicContact CG-CE1 3.79Å; W21-F85 AromaticContact CG-CZ 3.76Å; W21-F85 HydrophobicContact CG-CZ 3.76Å; W21-F85 AromaticContact NE1-CE1 3.78Å
22	E	93.1	Very high	92.8	Very high	33 Å²	33	21 Å²	21	15%	0.154	12%	0.118	C	C	.	.	H	α-helix	trans	-57.3	-50.4	171.9	-69.9	179	-158.7	0	0	110.7	A18 K19 F20 S25 D26 P80 F81	A18-E22 WeakPolarHBondContact O-CG 3.48Å; A18-E22 PolarHBondContact O-N 3.06Å; K19-E22 VanDerWaalsContact CD-OE2 3.31Å; K19-E22 WeakPolarHBondContact CD-OE2 3.31Å; K19-E22 IonicContact NZ-OE1 3.53Å; K19-E22 PolarHBondContact NZ-OE1 2.88Å; K19-E22 IonicContact NZ-OE2 3.92Å; K19-E22 PolarHBondContact NZ-OE2 3.14Å; K19-E22 PolarHBondContact O-N 2.97Å; F20-E22 PolarHBondContact O-N 2.87Å; E22-S25 PolarHBondContact O-N 2.73Å; E22-D26 WeakPolarHBondContact O-CB 3.44Å; E22-D26 PolarHBondContact O-N 3.44Å; E22-P80 WeakPolarHBondContact OE1-CD 3.47Å; E22-F81 HydrophobicContact CB-CD2 4.21Å; E22-F81 HydrophobicContact CG-CB 4.28Å; E22-F81 HydrophobicContact CG-CD2 3.72Å; E22-F81 HydrophobicContact CG-CE2 4.44Å; E22-F81 HydrophobicContact CG-CG 4.3Å
23	V	92.1	Very high	92.7	Very high	34 Å²	34	23.4 Å²	23.4	21%	0.206	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-45.8	-176.9	171.1	0	0	0	0	111.9	K19 F20 D26 E27	K19-V23 WeakPolarHBondContact O-CG2 3.34Å; K19-V23 PolarHBondContact O-N 3.3Å; F20-V23 PolarHBondContact O-N 2.98Å; V23-D26 PolarHBondContact O-N 3.49Å; V23-E27 WeakPolarHBondContact O-CG 3.24Å; V23-E27 PolarHBondContact O-N 2.81Å
24	I	93.4	Very high	92.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.3	-32.6	-179.5	64.4	160.3	0	0	0	112.1	F20 W21 D26 E27 H28 Y50 Y51	F20-I24 HydrophobicContact CD1-CD1 4.32Å; F20-I24 HydrophobicContact CD2-CG2 4.01Å; F20-I24 HydrophobicContact CE1-CD1 3.65Å; F20-I24 HydrophobicContact CE1-CG1 4.33Å; F20-I24 HydrophobicContact CE2-CD1 4.44Å; F20-I24 HydrophobicContact CE2-CG2 3.58Å; F20-I24 HydrophobicContact CZ-CD1 3.73Å; F20-I24 HydrophobicContact CZ-CG1 4.37Å; F20-I24 HydrophobicContact CZ-CG2 3.95Å; F20-I24 WeakPolarHBondContact O-CG1 3.46Å; F20-I24 PolarHBondContact O-N 3.48Å; W21-I24 HydrophobicContact CD2-CD1 4.22Å; W21-I24 HydrophobicContact CE3-CD1 3.44Å; W21-I24 VanDerWaalsContact CE3-CD1 3.44Å; W21-I24 HydrophobicContact CE3-CG1 3.92Å; W21-I24 HydrophobicContact CH2-CD1 4.29Å; W21-I24 HydrophobicContact CZ3-CD1 3.49Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.49Å; W21-I24 HydrophobicContact CZ3-CG1 4.42Å; I24-D26 VanDerWaalsContact C-N 3.35Å; I24-E27 PolarHBondContact O-N 3.03Å; I24-H28 WeakPolarHBondContact O-CB 3.49Å; I24-H28 PolarHBondContact O-CD2 2.77Å; I24-H28 PolarHBondContact O-N 2.75Å; I24-Y50 HydrophobicContact CD1-CD1 4.39Å; I24-Y50 HydrophobicContact CD1-CG 4.19Å; I24-Y51 HydrophobicContact CD1-CE2 4.22Å
25	S	93.3	Very high	92.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-44.4	174	-58	0	0	0	0	110.5	W21 E22 E27 H28 G29 I30 Y51 F81	W21-S25 WeakPolarHBondContact O-CB 3.29Å; W21-S25 PolarHBondContact O-N 2.99Å; W21-S25 PolarHBondContact O-OG 2.95Å; E22-S25 PolarHBondContact O-N 2.73Å; S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact O-N 3.16Å; S25-H28 CarbonylContact O-C 3.59Å; S25-H28 PolarHBondContact O-N 3.39Å; S25-G29 PolarHBondContact O-N 2.86Å; S25-I30 PolarHBondContact O-N 3.28Å; S25-Y51 WeakPolarHBondContact CA-OH 3.23Å; S25-Y51 WeakPolarHBondContact CB-OH 3.42Å; S25-Y51 PolarHBondContact N-OH 3.08Å; S25-Y51 PolarHBondContact OG-OH 3.36Å; S25-F81 VanDerWaalsContact CB-CE1 3.41Å
26	D	91	Very high	92.4	Very high	61 Å²	61	24.7 Å²	24.7	33%	0.326	14%	0.139	S	C	.	.	H	α-helix	trans	-59.5	-41.9	173.7	-83.7	-19.5	0	0	0	112.4	E22 V23 I24 H28 G29 R359	E22-D26 WeakPolarHBondContact O-CB 3.44Å; E22-D26 PolarHBondContact O-N 3.44Å; V23-D26 PolarHBondContact O-N 3.49Å; I24-D26 VanDerWaalsContact C-N 3.35Å; D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact O-N 2.79Å; D26-G29 PolarHBondContact O-N 2.83Å; D26-R359 IonicContact OD1-NH1 3.87Å; D26-R359 PolarHBondContact OD1-NH1 2.8Å; D26-R359 VanDerWaalsContact OD1-NH1 3.11Å; D26-R359 IonicContact OD2-CZ 3.97Å; D26-R359 IonicContact OD2-NH1 3.11Å; D26-R359 PolarHBondContact OD2-NH1 2.86Å
27	E	90.3	Very high	92.3	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-67.1	-32.8	177.8	-75.4	-174.3	-173.1	0	0	113.1	V23 I24 S25 Q43 S234 R241 F242 R318	V23-E27 WeakPolarHBondContact O-CG 3.24Å; V23-E27 PolarHBondContact O-N 2.81Å; I24-E27 PolarHBondContact O-N 3.03Å; S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact O-N 3.16Å; E27-Q43 PolarHBondContact O-NE2 3.15Å; E27-S234 VanDerWaalsContact CD-OG 3.22Å; E27-S234 PolarHBondContact OE1-OG 3.15Å; E27-S234 PolarHBondContact OE2-OG 3.48Å; E27-R241 IonicContact OE2-CZ 2.67Å; E27-R241 VanDerWaalsContact OE2-CZ 3.25Å; E27-R241 IonicContact OE2-NH1 3.85Å; E27-R241 PolarHBondContact OE2-NH1 3.22Å; E27-R241 IonicContact OE2-NH2 3.66Å; E27-R241 PolarHBondContact OE2-NH2 3.35Å; E27-F242 HydrophobicContact CB-CZ 4.19Å; E27-R318 IonicContact OE1-CZ 3.25Å; E27-R318 IonicContact OE1-NH1 2.83Å; E27-R318 PolarHBondContact OE1-NH1 3.03Å; E27-R318 IonicContact OE1-NH2 2.81Å; E27-R318 PolarHBondContact OE1-NH2 3Å; E27-R318 IonicContact OE2-CZ 2.69Å; E27-R318 IonicContact OE2-NH1 2.75Å; E27-R318 PolarHBondContact OE2-NH1 3.22Å; E27-R318 IonicContact OE2-NH2 3.67Å; E27-R318 PolarHBondContact OE2-NH2 2.82Å
28	H	90.9	Very high	91.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-88.9	0	176	-74.3	-74.7	0	0	0	113.5	I24 S25 D26 I30 Y36 Q43 I47 R241 F242	I24-H28 WeakPolarHBondContact O-CB 3.49Å; I24-H28 PolarHBondContact O-CD2 2.77Å; I24-H28 PolarHBondContact O-N 2.75Å; S25-H28 CarbonylContact O-C 3.59Å; S25-H28 PolarHBondContact O-N 3.39Å; D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact O-N 2.79Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 4.24Å; H28-I30 HydrophobicContact CB-CG1 4.34Å; H28-I30 PolarHBondContact O-N 2.92Å; H28-Y36 VanDerWaalsContact O-CD2 3.28Å; H28-Y36 WeakPolarHBondContact O-CD2 3.41Å; H28-Y36 WeakPolarHBondContact O-CE2 3.26Å; H28-Q43 PolarHBondContact ND1-O 3.49Å; H28-I47 HydrophobicContact CB-CD1 3.49Å; H28-I47 VanDerWaalsContact CB-CD1 3.49Å; H28-I47 WeakPolarHBondContact ND1-CD1 2.89Å; H28-R241 PolarHBondContact NE2-NH1 3.43Å; H28-F242 AromaticContact CE1-CE1 3.48Å; H28-F242 VanDerWaalsContact CE1-CE1 3.48Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.33Å; H28-F242 AromaticContact CE1-CZ 3.8Å; H28-F242 AromaticContact ND1-CE1 3.81Å; H28-F242 AromaticContact NE2-CZ 3.95Å
29	G	90.9	Very high	91.3	Very high	16 Å²	16	38.6 Å²	38.6	17%	0.165	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	27.2	-179.9	0	0	0	0	0	113.9	S25 D26 H37 G38	S25-G29 PolarHBondContact O-N 2.86Å; D26-G29 PolarHBondContact O-N 2.83Å; G29-H37 PolarHBondContact O-N 3.2Å; G29-G38 PolarHBondContact O-N 3.27Å
30	I	93.1	Very high	90.9	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-90.9	129	175.9	-65	171	0	0	0	108.9	S25 H28 I47 Y51 Y59 F81 I84	S25-I30 PolarHBondContact O-N 3.28Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 4.24Å; H28-I30 HydrophobicContact CB-CG1 4.34Å; H28-I30 PolarHBondContact O-N 2.92Å; I30-I47 HydrophobicContact CD1-CD1 3.68Å; I30-I47 HydrophobicContact CD1-CG1 4.11Å; I30-Y51 HydrophobicContact CD1-CD1 3.73Å; I30-Y51 HydrophobicContact CD1-CD2 4.06Å; I30-Y51 HydrophobicContact CD1-CE1 3.56Å; I30-Y51 HydrophobicContact CD1-CE2 3.94Å; I30-Y51 HydrophobicContact CD1-CG 3.98Å; I30-Y59 HydrophobicContact CD1-CD2 4.25Å; I30-Y59 HydrophobicContact CD1-CG 4.01Å; I30-Y59 HydrophobicContact CG1-CD2 4.35Å; I30-F81 WeakPolarHBondContact O-CE1 3.46Å; I30-I84 HydrophobicContact CG2-CD1 3.7Å
31	D	92.4	Very high	90.4	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.193	25%	0.249	C	C	.	.			trans	-82.9	171.7	175.4	81.3	-6	0	0	0	112.3	T33 G34 T35 H37	D31-T33 PolarHBondContact O-N 2.9Å; D31-T33 VanDerWaalsContact OD1-CA 3.3Å; D31-T33 WeakPolarHBondContact OD1-CA 3.36Å; D31-T33 WeakPolarHBondContact OD1-CB 3.48Å; D31-T33 PolarHBondContact OD1-N 3.15Å; D31-T33 PolarHBondContact OD1-OG1 2.94Å; D31-T33 PolarHBondContact OD2-OG1 2.98Å; D31-G34 PolarHBondContact O-N 2.73Å; D31-G34 PolarHBondContact OD1-N 3.38Å; D31-T35 PolarHBondContact N-O 3.49Å; D31-T35 PolarHBondContact OD1-N 2.97Å; D31-H37 IonicContact OD2-CD2 3.66Å; D31-H37 IonicContact OD2-NE2 2.73Å
32	P	91.8	Very high	89.9	Confident	54 Å²	54	48 Å²	48	35%	0.351	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.7	176.6	-27.6	37.4	0	0	0	115.4	G34 P80 F81	P32-G34 VanDerWaalsContact C-N 3.34Å; P32-P80 WeakPolarHBondContact CB-O 3.41Å; P32-F81 HydrophobicContact CB-CD1 4.43Å; P32-F81 HydrophobicContact CG-CD1 4.32Å; P32-F81 HydrophobicContact CG-CD2 4.39Å; P32-F81 HydrophobicContact CG-CE1 4.13Å; P32-F81 HydrophobicContact CG-CE2 4.25Å; P32-F81 HydrophobicContact CG-CG 4.46Å; P32-F81 HydrophobicContact CG-CZ 4.12Å
33	T	89.1	Confident	89.6	Confident	80 Å²	80	47.8 Å²	47.8	49%	0.491	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.6	176.9	77.4	0	0	0	0	112.8	D31 T35	D31-T33 PolarHBondContact O-N 2.9Å; D31-T33 VanDerWaalsContact OD1-CA 3.3Å; D31-T33 WeakPolarHBondContact OD1-CA 3.36Å; D31-T33 WeakPolarHBondContact OD1-CB 3.48Å; D31-T33 PolarHBondContact OD1-N 3.15Å; D31-T33 PolarHBondContact OD1-OG1 2.94Å; D31-T33 PolarHBondContact OD2-OG1 2.98Å; T33-T35 PolarHBondContact OG1-OG1 3.3Å
34	G	90.1	Very high	89.4	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	84.7	7.1	-176	0	0	0	0	0	113.5	D31 P32 K58 Y59	D31-G34 PolarHBondContact O-N 2.73Å; D31-G34 PolarHBondContact OD1-N 3.38Å; P32-G34 VanDerWaalsContact C-N 3.34Å; G34-K58 CarbonylContact O-C 3.55Å; G34-K58 WeakPolarHBondContact O-CA 3.46Å; G34-Y59 WeakPolarHBondContact CA-O 3.49Å; G34-Y59 PolarHBondContact O-N 2.78Å
35	T	92	Very high	89	Confident	44 Å²	44	53.4 Å²	53.4	27%	0.27	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-90.6	137.7	-176.3	-38.4	0	0	0	0	110.1	D31 T33	D31-T35 PolarHBondContact N-O 3.49Å; D31-T35 PolarHBondContact OD1-N 2.97Å; T33-T35 PolarHBondContact OG1-OG1 3.3Å
36	Y	92.8	Very high	88.7	Confident	52 Å²	52	55.8 Å²	55.8	20%	0.204	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-78.8	125.1	177.5	176.3	-99.3	0	0	0	111.4	H28 G38 S40 Q43 L44	H28-Y36 VanDerWaalsContact O-CD2 3.28Å; H28-Y36 WeakPolarHBondContact O-CD2 3.41Å; H28-Y36 WeakPolarHBondContact O-CE2 3.26Å; Y36-G38 WeakPolarHBondContact CE1-O 3.36Å; Y36-G38 VanDerWaalsContact OH-C 3.26Å; Y36-G38 WeakPolarHBondContact OH-CA 3.42Å; Y36-G38 PolarHBondContact OH-O 3.26Å; Y36-S40 PolarHBondContact OH-N 3.33Å; Y36-S40 PolarHBondContact OH-O 3.09Å; Y36-Q43 HydrophobicContact CE2-CB 4.03Å; Y36-Q43 PolarHBondContact OH-OE1 3.24Å; Y36-L44 HydrophobicContact CD1-CD1 3.91Å; Y36-L44 HydrophobicContact CD1-CD2 4.45Å; Y36-L44 HydrophobicContact CD1-CG 4.44Å; Y36-L44 HydrophobicContact CD2-CD1 4.34Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 4Å; Y36-L44 HydrophobicContact CE1-CD1 3.74Å; Y36-L44 HydrophobicContact CE1-CG 4.21Å; Y36-L44 HydrophobicContact CE2-CD1 4.18Å; Y36-L44 HydrophobicContact CE2-CD2 3.76Å; Y36-L44 HydrophobicContact CE2-CG 3.72Å; Y36-L44 HydrophobicContact CG-CD1 4.2Å; Y36-L44 HydrophobicContact CG-CD2 3.9Å; Y36-L44 HydrophobicContact CG-CG 4.33Å
37	H	89.7	Confident	88.7	Confident	127 Å²	127	53.4 Å²	53.4	59%	0.588	29%	0.292	S	S	*	.			trans	-129.3	25.4	175	-68.7	-68.7	0	0	0	111.5	G29 D31	G29-H37 PolarHBondContact O-N 3.2Å; D31-H37 IonicContact OD2-CD2 3.66Å; D31-H37 IonicContact OD2-NE2 2.73Å
38	G	84.3	Confident	88.8	Confident	19 Å²	19	55.2 Å²	55.2	20%	0.196	30%	0.302	C	S	.	.			trans	-76.6	166.9	178.9	0	0	0	0	0	113.6	G29 Y36	G29-G38 PolarHBondContact O-N 3.27Å; Y36-G38 WeakPolarHBondContact CE1-O 3.36Å; Y36-G38 VanDerWaalsContact OH-C 3.26Å; Y36-G38 WeakPolarHBondContact OH-CA 3.42Å; Y36-G38 PolarHBondContact OH-O 3.26Å
39	D	84.3	Confident	88.8	Confident	168 Å²	168	55.4 Å²	55.4	90%	0.898	30%	0.303	S	S	*	.	S	Bend	trans	-109.2	0.2	-174.2	-60.6	-40.4	0	0	0	112.8
40	S	83.9	Confident	89	Confident	45 Å²	45	54.8 Å²	54.8	32%	0.315	30%	0.295	S	S	.	.			trans	-140	126.6	-170.4	177.6	0	0	0	0	112.5	Y36 L42 Q43	Y36-S40 PolarHBondContact OH-N 3.33Å; Y36-S40 PolarHBondContact OH-O 3.09Å; S40-L42 PolarHBondContact O-N 3.37Å; S40-L42 VanDerWaalsContact O-N 3.15Å; S40-L42 PolarHBondContact OG-N 2.98Å; S40-Q43 VanDerWaalsContact O-CB 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.21Å; S40-Q43 PolarHBondContact O-N 3.42Å; S40-Q43 PolarHBondContact O-OE1 3.32Å
41	D	84.3	Confident	89.1	Confident	145 Å²	145	54.8 Å²	54.8	78%	0.775	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.5	-29.4	177.9	-60.4	-28.2	0	0	0	112.8	Q43 L44 D45	D41-Q43 PolarHBondContact O-N 3.14Å; D41-Q43 VanDerWaalsContact O-N 3.15Å; D41-L44 PolarHBondContact O-N 2.81Å; D41-D45 PolarHBondContact O-N 3.34Å
42	L	84.9	Confident	89.1	Confident	77 Å²	77	54 Å²	54	40%	0.403	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.8	-19.4	177.4	-61.7	176	0	0	0	113	S40 L44 P243 I356	S40-L42 PolarHBondContact O-N 3.37Å; S40-L42 VanDerWaalsContact O-N 3.15Å; S40-L42 PolarHBondContact OG-N 2.98Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-P243 HydrophobicContact CD2-CG 3.86Å; L42-I356 HydrophobicContact CB-CD1 3.68Å; L42-I356 HydrophobicContact CD1-CD1 4.26Å; L42-I356 HydrophobicContact CD1-CG1 4.46Å
43	Q	86.6	Confident	89	Confident	28 Å²	28	58.2 Å²	58.2	13%	0.131	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-72.2	-26.7	174.6	-65.9	172.5	-47.8	0	0	112	E27 H28 Y36 S40 D41	E27-Q43 PolarHBondContact O-NE2 3.15Å; H28-Q43 PolarHBondContact ND1-O 3.49Å; Y36-Q43 HydrophobicContact CE2-CB 4.03Å; Y36-Q43 PolarHBondContact OH-OE1 3.24Å; S40-Q43 VanDerWaalsContact O-CB 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.21Å; S40-Q43 PolarHBondContact O-N 3.42Å; S40-Q43 PolarHBondContact O-OE1 3.32Å; D41-Q43 PolarHBondContact O-N 3.14Å; D41-Q43 VanDerWaalsContact O-N 3.15Å
44	L	88.1	Confident	88.9	Confident	51 Å²	51	56.1 Å²	56.1	27%	0.267	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-22.9	-178.8	-68.6	178.3	0	0	0	113.3	Y36 D41 L42 R46 I47 Y59	Y36-L44 HydrophobicContact CD1-CD1 3.91Å; Y36-L44 HydrophobicContact CD1-CD2 4.45Å; Y36-L44 HydrophobicContact CD1-CG 4.44Å; Y36-L44 HydrophobicContact CD2-CD1 4.34Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 4Å; Y36-L44 HydrophobicContact CE1-CD1 3.74Å; Y36-L44 HydrophobicContact CE1-CG 4.21Å; Y36-L44 HydrophobicContact CE2-CD1 4.18Å; Y36-L44 HydrophobicContact CE2-CD2 3.76Å; Y36-L44 HydrophobicContact CE2-CG 3.72Å; Y36-L44 HydrophobicContact CG-CD1 4.2Å; Y36-L44 HydrophobicContact CG-CD2 3.9Å; Y36-L44 HydrophobicContact CG-CG 4.33Å; D41-L44 PolarHBondContact O-N 2.81Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L44-R46 PolarHBondContact O-N 3.39Å; L44-R46 VanDerWaalsContact O-N 3.07Å; L44-I47 HydrophobicContact CD2-CB 4.48Å; L44-I47 HydrophobicContact CD2-CG2 4.37Å; L44-I47 VanDerWaalsContact O-CG2 3.31Å; L44-I47 WeakPolarHBondContact O-CG2 3.22Å; L44-I47 PolarHBondContact O-N 3.05Å; L44-I47 VanDerWaalsContact O-N 3.15Å; L44-Y59 HydrophobicContact CD2-CE2 3.99Å
45	D	85.6	Confident	88.5	Confident	100 Å²	100	61.6 Å²	61.6	54%	0.535	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.9	-172.3	-167.8	50.5	0	0	0	114.5	D41 P243	D41-D45 PolarHBondContact O-N 3.34Å; D45-P243 HydrophobicContact CB-CG 4.38Å; D45-P243 WeakPolarHBondContact OD2-CG 3.46Å
46	R	87.5	Confident	87.9	Confident	51 Å²	51	63 Å²	63	19%	0.192	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	28.8	177.1	-67.2	-169.5	-178.5	-177.5	2.2	113.5	L44 N48 V49 C239 L240 R241 N247	L44-R46 PolarHBondContact O-N 3.39Å; L44-R46 VanDerWaalsContact O-N 3.07Å; R46-N48 PolarHBondContact O-N 3.05Å; R46-V49 HydrophobicContact CB-CG2 4.06Å; R46-V49 WeakPolarHBondContact O-CB 3.47Å; R46-V49 VanDerWaalsContact O-CG2 3.31Å; R46-V49 WeakPolarHBondContact O-CG2 3.48Å; R46-V49 PolarHBondContact O-N 2.85Å; R46-C239 PolarHBondContact NH1-O 2.79Å; R46-L240 VanDerWaalsContact CD-O 3.3Å; R46-L240 WeakPolarHBondContact CD-O 3.24Å; R46-R241 WeakPolarHBondContact CB-O 3.31Å; R46-N247 PolarHBondContact NH2-OD1 3.14Å
47	I	90.4	Very high	87.5	Confident	10 Å²	10	62.2 Å²	62.2	5%	0.051	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-63.2	-30.6	-179.6	-162.4	64.5	0	0	0	112.5	H28 I30 L44 V49 Y50 Y51 Y59	H28-I47 HydrophobicContact CB-CD1 3.49Å; H28-I47 VanDerWaalsContact CB-CD1 3.49Å; H28-I47 WeakPolarHBondContact ND1-CD1 2.89Å; I30-I47 HydrophobicContact CD1-CD1 3.68Å; I30-I47 HydrophobicContact CD1-CG1 4.11Å; L44-I47 HydrophobicContact CD2-CB 4.48Å; L44-I47 HydrophobicContact CD2-CG2 4.37Å; L44-I47 VanDerWaalsContact O-CG2 3.31Å; L44-I47 WeakPolarHBondContact O-CG2 3.22Å; L44-I47 PolarHBondContact O-N 3.05Å; L44-I47 VanDerWaalsContact O-N 3.15Å; I47-V49 PolarHBondContact O-N 3.15Å; I47-V49 VanDerWaalsContact O-N 3.09Å; I47-Y50 PolarHBondContact O-N 3.02Å; I47-Y51 HydrophobicContact CD1-CD2 3.53Å; I47-Y51 HydrophobicContact CD1-CE2 3.87Å; I47-Y51 HydrophobicContact CD1-CG 4.28Å; I47-Y51 HydrophobicContact CG1-CD2 3.87Å; I47-Y51 HydrophobicContact CG1-CG 4.23Å; I47-Y51 PolarHBondContact O-N 3.17Å; I47-Y59 HydrophobicContact CG1-CD1 3.93Å; I47-Y59 HydrophobicContact CG1-CE1 4.18Å; I47-Y59 HydrophobicContact CG1-CG 4.37Å; I47-Y59 HydrophobicContact CG2-CD1 4.07Å; I47-Y59 HydrophobicContact CG2-CE1 3.57Å
48	N	91.1	Very high	87.6	Confident	49 Å²	49	60.9 Å²	60.9	26%	0.262	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.8	-13.4	178.4	64.3	-37.2	0	0	0	114.4	E3 R46 Y50 Y51	E3-N48 WeakPolarHBondContact CG-O 3.47Å; R46-N48 PolarHBondContact O-N 3.05Å; N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 PolarHBondContact O-N 3.27Å; N48-Y51 WeakPolarHBondContact CA-O 3.4Å
49	V	91.8	Very high	88	Confident	5 Å²	5	61 Å²	61	3%	0.03	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-63	-41.3	176.8	176.8	0	0	0	0	111	R2 I4 R46 I47 L240	R2-V49 WeakPolarHBondContact O-CG2 2.83Å; I4-V49 HydrophobicContact CD1-CG1 3.77Å; I4-V49 HydrophobicContact CG1-CG1 4.1Å; I4-V49 PolarHBondContact N-O 2.84Å; R46-V49 HydrophobicContact CB-CG2 4.06Å; R46-V49 WeakPolarHBondContact O-CB 3.47Å; R46-V49 VanDerWaalsContact O-CG2 3.31Å; R46-V49 WeakPolarHBondContact O-CG2 3.48Å; R46-V49 PolarHBondContact O-N 2.85Å; I47-V49 PolarHBondContact O-N 3.15Å; I47-V49 VanDerWaalsContact O-N 3.09Å; V49-L240 HydrophobicContact CG1-CB 4.31Å
50	Y	94.6	Very high	88.5	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.012	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-19.9	-176.6	-81.4	-81.5	0	0	0	113.8	I4 F20 W21 I24 I47 N48 R62 Q134 T237 R241	I4-Y50 HydrophobicContact CB-CE1 4.35Å; I4-Y50 HydrophobicContact CD1-CE2 4.2Å; I4-Y50 HydrophobicContact CG2-CE1 4.15Å; F20-Y50 HydrophobicContact CE1-CD1 4.27Å; F20-Y50 AromaticContact CE1-CE1 3.97Å; F20-Y50 HydrophobicContact CE1-CE1 3.97Å; F20-Y50 HydrophobicContact CZ-CD1 4.42Å; F20-Y50 AromaticContact CZ-CE1 3.89Å; F20-Y50 HydrophobicContact CZ-CE1 3.89Å; W21-Y50 AromaticContact CH2-CD1 3.72Å; W21-Y50 HydrophobicContact CH2-CD1 3.72Å; W21-Y50 HydrophobicContact CH2-CG 4.21Å; W21-Y50 VanDerWaalsContact CH2-O 3.3Å; W21-Y50 WeakPolarHBondContact CH2-O 3.27Å; W21-Y50 HydrophobicContact CZ2-CD1 4.31Å; W21-Y50 HydrophobicContact CZ3-CD1 4.34Å; W21-Y50 HydrophobicContact CZ3-CG 4.49Å; I24-Y50 HydrophobicContact CD1-CD1 4.39Å; I24-Y50 HydrophobicContact CD1-CG 4.19Å; I47-Y50 PolarHBondContact O-N 3.02Å; N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 PolarHBondContact O-N 3.27Å; Y50-R62 WeakPolarHBondContact O-CB 3.41Å; Y50-R62 PolarHBondContact O-N 3.49Å; Y50-Q134 PolarHBondContact OH-OE1 3.05Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.48Å; Y50-R241 HydrophobicContact CD2-CG 3.56Å; Y50-R241 HydrophobicContact CE2-CG 3.58Å
51	Y	94.9	Very high	89.1	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.6	-177.5	-62.4	-98.2	0	0	0	111.7	W21 I24 S25 I30 I47 N48 V60 P61 I84	W21-Y51 HydrophobicContact CE3-CE1 4.24Å; W21-Y51 AromaticContact CE3-CZ 3.94Å; W21-Y51 HydrophobicContact CZ3-CD2 4.5Å; W21-Y51 HydrophobicContact CZ3-CE1 4.08Å; W21-Y51 HydrophobicContact CZ3-CE2 4.03Å; W21-Y51 AromaticContact CZ3-CZ 3.8Å; I24-Y51 HydrophobicContact CD1-CE2 4.22Å; S25-Y51 WeakPolarHBondContact CA-OH 3.23Å; S25-Y51 WeakPolarHBondContact CB-OH 3.42Å; S25-Y51 PolarHBondContact N-OH 3.08Å; S25-Y51 PolarHBondContact OG-OH 3.36Å; I30-Y51 HydrophobicContact CD1-CD1 3.73Å; I30-Y51 HydrophobicContact CD1-CD2 4.06Å; I30-Y51 HydrophobicContact CD1-CE1 3.56Å; I30-Y51 HydrophobicContact CD1-CE2 3.94Å; I30-Y51 HydrophobicContact CD1-CG 3.98Å; I47-Y51 HydrophobicContact CD1-CD2 3.53Å; I47-Y51 HydrophobicContact CD1-CE2 3.87Å; I47-Y51 HydrophobicContact CD1-CG 4.28Å; I47-Y51 HydrophobicContact CG1-CD2 3.87Å; I47-Y51 HydrophobicContact CG1-CG 4.23Å; I47-Y51 PolarHBondContact O-N 3.17Å; N48-Y51 WeakPolarHBondContact CA-O 3.4Å; Y51-V60 CarbonylContact C-O 3.6Å; Y51-V60 WeakPolarHBondContact CA-O 2.95Å; Y51-P61 HydrophobicContact CD1-CG 4.08Å; Y51-P61 HydrophobicContact CE1-CG 3.78Å; Y51-I84 HydrophobicContact CE1-CD1 4.37Å
52	N	92.5	Very high	89.6	Confident	20 Å²	20	45.6 Å²	45.6	11%	0.107	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.8	165.4	-68.3	-31.4	0	0	0	109.1	A54 Y59 V60 R62 E123	N52-A54 PolarHBondContact O-N 3.45Å; N52-Y59 WeakPolarHBondContact O-CA 3.37Å; N52-V60 PolarHBondContact N-O 2.85Å; N52-V60 PolarHBondContact O-N 2.78Å; N52-R62 PolarHBondContact OD1-NE 2.78Å; N52-R62 PolarHBondContact OD1-NH2 3.37Å; N52-E123 PolarHBondContact ND2-OE2 2.91Å
53	E	90.1	Very high	90.1	Very high	143 Å²	143	42 Å²	42	67%	0.668	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81	109.3	171.7	-170	176	174.8	0	0	109.5	Y59	E53-Y59 HydrophobicContact CB-CD1 4.39Å; E53-Y59 HydrophobicContact CB-CE1 4.13Å; E53-Y59 HydrophobicContact CG-CE1 4Å
54	A	86.9	Confident	90.6	Very high	36 Å²	36	40.7 Å²	40.7	30%	0.298	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	165.7	175.2	0	0	0	0	0	111.3	N52 G56 G57 K58 V60	N52-A54 PolarHBondContact O-N 3.45Å; A54-G56 PolarHBondContact O-N 2.77Å; A54-G57 PolarHBondContact O-N 2.71Å; A54-K58 WeakPolarHBondContact CA-O 3.39Å; A54-K58 HydrophobicContact CB-CB 4.34Å; A54-K58 WeakPolarHBondContact CB-O 3.26Å; A54-K58 PolarHBondContact N-O 3.24Å; A54-V60 HydrophobicContact CB-CG2 4.16Å
55	S	82.1	Confident	91	Very high	116 Å²	116	38.2 Å²	38.2	81%	0.811	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	134.4	177.7	58.2	0	0	0	0	112.1
56	G	79.8	Confident	91.5	Very high	75 Å²	75	33.5 Å²	33.5	77%	0.773	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	22.1	177.9	0	0	0	0	0	114.8	A54 K58	A54-G56 PolarHBondContact O-N 2.77Å; G56-K58 VanDerWaalsContact C-N 3.31Å; G56-K58 PolarHBondContact O-N 2.94Å
57	G	83.6	Confident	91.9	Very high	34 Å²	34	31.1 Å²	31.1	35%	0.351	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	29	177	0	0	0	0	0	113.1	A54	A54-G57 PolarHBondContact O-N 2.71Å
58	K	91.4	Very high	92	Very high	100 Å²	100	30.8 Å²	30.8	44%	0.435	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.5	178.8	-71.7	-169.8	174.6	-165.9	0	110.4	G34 A54 G56	G34-K58 CarbonylContact O-C 3.55Å; G34-K58 WeakPolarHBondContact O-CA 3.46Å; A54-K58 WeakPolarHBondContact CA-O 3.39Å; A54-K58 HydrophobicContact CB-CB 4.34Å; A54-K58 WeakPolarHBondContact CB-O 3.26Å; A54-K58 PolarHBondContact N-O 3.24Å; G56-K58 VanDerWaalsContact C-N 3.31Å; G56-K58 PolarHBondContact O-N 2.94Å
59	Y	94.2	Very high	91.8	Very high	22 Å²	22	32.3 Å²	32.3	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.2	176.9	-64.2	-77.2	0	0	0	109.7	I30 G34 L44 I47 N52 E53	I30-Y59 HydrophobicContact CD1-CD2 4.25Å; I30-Y59 HydrophobicContact CD1-CG 4.01Å; I30-Y59 HydrophobicContact CG1-CD2 4.35Å; G34-Y59 WeakPolarHBondContact CA-O 3.49Å; G34-Y59 PolarHBondContact O-N 2.78Å; L44-Y59 HydrophobicContact CD2-CE2 3.99Å; I47-Y59 HydrophobicContact CG1-CD1 3.93Å; I47-Y59 HydrophobicContact CG1-CE1 4.18Å; I47-Y59 HydrophobicContact CG1-CG 4.37Å; I47-Y59 HydrophobicContact CG2-CD1 4.07Å; I47-Y59 HydrophobicContact CG2-CE1 3.57Å; N52-Y59 WeakPolarHBondContact O-CA 3.37Å; E53-Y59 HydrophobicContact CB-CD1 4.39Å; E53-Y59 HydrophobicContact CB-CE1 4.13Å; E53-Y59 HydrophobicContact CG-CE1 4Å
60	V	94.3	Very high	91.6	Very high	26 Å²	26	34.9 Å²	34.9	16%	0.158	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.3	-179.2	179.1	0	0	0	0	108.6	Y51 N52 A54 R62 R86	Y51-V60 CarbonylContact C-O 3.6Å; Y51-V60 WeakPolarHBondContact CA-O 2.95Å; N52-V60 PolarHBondContact N-O 2.85Å; N52-V60 PolarHBondContact O-N 2.78Å; A54-V60 HydrophobicContact CB-CG2 4.16Å; V60-R62 PolarHBondContact O-N 2.96Å; V60-R86 HydrophobicContact CG1-CB 4.17Å
61	P	95.6	Very high	91.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	134.9	175	-33.8	40.9	0	0	0	113.4	W21 Y51 A63 I84 F85	W21-P61 HydrophobicContact CD2-CB 3.88Å; W21-P61 HydrophobicContact CD2-CG 4.17Å; W21-P61 HydrophobicContact CE3-CB 3.65Å; W21-P61 HydrophobicContact CE3-CG 3.75Å; W21-P61 HydrophobicContact CH2-CB 3.67Å; W21-P61 HydrophobicContact CZ2-CB 3.88Å; W21-P61 HydrophobicContact CZ3-CB 3.54Å; W21-P61 HydrophobicContact CZ3-CG 3.97Å; Y51-P61 HydrophobicContact CD1-CG 4.08Å; Y51-P61 HydrophobicContact CE1-CG 3.78Å; P61-A63 HydrophobicContact CB-CB 4.1Å; P61-A63 PolarHBondContact O-N 3.28Å; P61-I84 HydrophobicContact CG-CD1 4.18Å; P61-I84 HydrophobicContact CG-CG1 4.36Å; P61-I84 HydrophobicContact CG-CG2 3.71Å; P61-F85 HydrophobicContact CB-CD1 4.06Å; P61-F85 HydrophobicContact CB-CE1 4.02Å; P61-F85 HydrophobicContact CG-CD1 4.29Å; P61-F85 HydrophobicContact CG-CE1 4.22Å
62	R	95.5	Very high	90.9	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.026	24%	0.237	C	C	.	.			trans	-80.3	64.4	167.7	-166	176.4	-65.5	-163.9	-0.8	109.9	E3 I4 V5 H6 Y50 N52 V60 E123 C127	E3-R62 IonicContact OE1-NH2 3.34Å; I4-R62 WeakPolarHBondContact O-CD 3.33Å; V5-R62 HydrophobicContact CG2-CG 4.07Å; H6-R62 PolarHBondContact N-O 2.69Å; Y50-R62 WeakPolarHBondContact O-CB 3.41Å; Y50-R62 PolarHBondContact O-N 3.49Å; N52-R62 PolarHBondContact OD1-NE 2.78Å; N52-R62 PolarHBondContact OD1-NH2 3.37Å; V60-R62 PolarHBondContact O-N 2.96Å; R62-E123 HydrophobicContact CG-CB 4.35Å; R62-C127 PolarHBondContact NH1-SG 3.38Å
63	A	96.1	Very high	90.6	Very high	1 Å²	1	36 Å²	36	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.3	-176.6	0	0	0	0	0	111	H6 W21 P61 L65 F85 N89	H6-A63 CarbonylContact O-C 3.53Å; H6-A63 VanDerWaalsContact O-CA 3.3Å; H6-A63 WeakPolarHBondContact O-CA 3.44Å; W21-A63 HydrophobicContact CZ2-CB 3.7Å; P61-A63 HydrophobicContact CB-CB 4.1Å; P61-A63 PolarHBondContact O-N 3.28Å; A63-L65 HydrophobicContact CB-CD1 4.28Å; A63-F85 HydrophobicContact CB-CD1 3.9Å; A63-F85 HydrophobicContact CB-CE1 3.79Å; A63-N89 VanDerWaalsContact O-CB 3.27Å; A63-N89 WeakPolarHBondContact O-CB 3.31Å; A63-N89 PolarHBondContact O-ND2 3.02Å
64	I	96.9	Very high	90.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.2	173.1	-55.6	172.9	0	0	0	107	V5 H6 L7 Q8 V66 V116 V119 V120 E123	V5-I64 HydrophobicContact CG1-CD1 3.85Å; V5-I64 HydrophobicContact CG1-CG1 4.47Å; H6-I64 PolarHBondContact O-N 3.26Å; L7-I64 WeakPolarHBondContact CA-O 3.46Å; Q8-I64 PolarHBondContact N-O 3.41Å; I64-V66 HydrophobicContact CG2-CG2 4Å; I64-V116 HydrophobicContact CG2-CG1 4.2Å; I64-V119 HydrophobicContact CD1-CG1 3.96Å; I64-V119 HydrophobicContact CG1-CG1 3.91Å; I64-V119 HydrophobicContact CG2-CG1 4.14Å; I64-V120 HydrophobicContact CD1-CB 4.1Å; I64-V120 HydrophobicContact CD1-CG2 3.47Å; I64-V120 VanDerWaalsContact CD1-CG2 3.47Å; I64-E123 HydrophobicContact CD1-CG 4.33Å; I64-E123 HydrophobicContact CG1-CG 4.45Å
65	L	96.6	Very high	90.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.2	-175.3	-64.5	91.4	0	0	0	108.6	A63 M73 V76 F85 N89 F90 V91	A63-L65 HydrophobicContact CB-CD1 4.28Å; L65-M73 HydrophobicContact CB-CE 4.35Å; L65-M73 HydrophobicContact CB-SD 4.08Å; L65-V76 HydrophobicContact CD2-CB 4.36Å; L65-V76 HydrophobicContact CD2-CG1 3.61Å; L65-V76 HydrophobicContact CD2-CG2 4.42Å; L65-F85 HydrophobicContact CD1-CB 4.35Å; L65-F85 HydrophobicContact CD1-CD1 3.87Å; L65-F85 HydrophobicContact CD1-CE1 4.37Å; L65-F85 HydrophobicContact CD1-CG 4.1Å; L65-N89 PolarHBondContact N-O 3.49Å; L65-F90 HydrophobicContact CB-CD1 4.31Å; L65-F90 HydrophobicContact CD1-CE1 4.47Å; L65-F90 HydrophobicContact CD1-CZ 4.4Å; L65-F90 HydrophobicContact CD2-CE1 3.97Å; L65-F90 HydrophobicContact CD2-CZ 4.41Å; L65-V91 PolarHBondContact O-N 3.43Å
66	V	95.8	Very high	91	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127	-172.7	-171.3	0	0	0	0	109.7	Q8 A9 G10 N14 I64 V91 V116 M147 L151	Q8-V66 WeakPolarHBondContact O-CA 3.26Å; Q8-V66 PolarHBondContact O-N 3.35Å; A9-V66 WeakPolarHBondContact CA-O 3.08Å; G10-V66 PolarHBondContact N-O 2.99Å; N14-V66 PolarHBondContact ND2-O 3.21Å; I64-V66 HydrophobicContact CG2-CG2 4Å; V66-V91 WeakPolarHBondContact CA-O 3.47Å; V66-V116 HydrophobicContact CB-CG2 4.45Å; V66-V116 HydrophobicContact CG1-CG2 3.73Å; V66-V116 HydrophobicContact CG2-CB 4.44Å; V66-V116 HydrophobicContact CG2-CG1 3.67Å; V66-V116 HydrophobicContact CG2-CG2 3.81Å; V66-M147 HydrophobicContact CG1-CE 3.49Å; V66-M147 VanDerWaalsContact CG1-CE 3.49Å; V66-M147 HydrophobicContact CG1-SD 3.69Å; V66-L151 HydrophobicContact CG1-CD1 4.49Å
67	D	95.3	Very high	91.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	144.8	166.4	-154.7	-19.2	0	0	0	110.7	Q11 E69 T72 M73 V91 F92 G93	Q11-D67 PolarHBondContact N-OD2 2.85Å; D67-E69 PolarHBondContact O-N 2.77Å; D67-E69 PolarHBondContact OD1-N 3.3Å; D67-T72 WeakPolarHBondContact OD2-CB 3.48Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.45Å; D67-T72 PolarHBondContact OD2-OG1 3.08Å; D67-M73 HydrophobicContact CB-CE 3.31Å; D67-V91 PolarHBondContact N-O 3.23Å; D67-F92 CarbonylContact O-C 3.57Å; D67-F92 WeakPolarHBondContact O-CA 3.39Å; D67-F92 WeakPolarHBondContact O-CB 3.49Å; D67-G93 PolarHBondContact O-N 2.67Å
68	L	92.3	Very high	91.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	-75.6	-17.8	173.2	-72.1	172.7	0	0	0	111.1	G93 S95 A97 E108 L112 T143 M147	L68-G93 CarbonylContact O-C 3.51Å; L68-G93 WeakPolarHBondContact O-CA 3.09Å; L68-S95 WeakPolarHBondContact CB-O 3.23Å; L68-S95 CarbonylContact O-C 3.4Å; L68-S95 PolarHBondContact O-N 3.37Å; L68-S95 VanDerWaalsContact O-O 3.1Å; L68-A97 HydrophobicContact CD1-CB 3.94Å; L68-E108 HydrophobicContact CD1-CB 4.14Å; L68-E108 HydrophobicContact CD2-CB 4.16Å; L68-L112 HydrophobicContact CD2-CB 4.19Å; L68-L112 HydrophobicContact CD2-CD2 3.75Å; L68-T143 HydrophobicContact CB-CG2 4.04Å; L68-T143 HydrophobicContact CD1-CG2 3.95Å; L68-T143 HydrophobicContact CG-CG2 3.77Å; L68-M147 HydrophobicContact CD1-SD 4.46Å; L68-M147 HydrophobicContact CD2-SD 4.16Å; L68-M147 HydrophobicContact CG-SD 4.06Å
69	E	87.6	Confident	91.6	Very high	82 Å²	82	30.6 Å²	30.6	38%	0.383	19%	0.187	S	C	.	.	S	Bend	trans	-101.2	129.6	175.4	-65.3	-175.8	178.8	0	0	112.6	D67 G71 G96	D67-E69 PolarHBondContact O-N 2.77Å; D67-E69 PolarHBondContact OD1-N 3.3Å; E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.43Å; E69-G96 VanDerWaalsContact CG-CA 3.46Å
70	P	87.2	Confident	91.4	Very high	58 Å²	58	33.6 Å²	33.6	38%	0.377	21%	0.21	S	C	.	.	H	α-helix	trans	-70	-28.3	-179.3	26.7	-33.8	0	0	0	113.1	T72 M73 F92	P70-T72 VanDerWaalsContact C-N 3.27Å; P70-T72 PolarHBondContact O-N 2.95Å; P70-M73 WeakPolarHBondContact O-CB 3.3Å; P70-M73 PolarHBondContact O-N 3.46Å; P70-F92 HydrophobicContact CB-CD2 4.04Å; P70-F92 HydrophobicContact CB-CE2 4.43Å
71	G	87.9	Confident	91.3	Very high	39 Å²	39	33.2 Å²	33.2	40%	0.402	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-27.8	-173.7	0	0	0	0	0	114.5	E69 M73 S75	E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.43Å; G71-M73 VanDerWaalsContact C-N 3.29Å; G71-M73 PolarHBondContact O-N 3Å; G71-S75 PolarHBondContact O-N 2.74Å; G71-S75 PolarHBondContact O-OG 3.25Å; G71-S75 VanDerWaalsContact O-OG 3.09Å
72	T	86.4	Confident	91	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-38	174.9	-56.6	0	0	0	0	111	N14 D67 P70 D74 S75 V76	N14-T72 HydrophobicContact CB-CG2 3.63Å; D67-T72 WeakPolarHBondContact OD2-CB 3.48Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.45Å; D67-T72 PolarHBondContact OD2-OG1 3.08Å; P70-T72 VanDerWaalsContact C-N 3.27Å; P70-T72 PolarHBondContact O-N 2.95Å; T72-D74 PolarHBondContact O-N 2.92Å; T72-S75 WeakPolarHBondContact O-CB 3.42Å; T72-S75 PolarHBondContact O-N 3.24Å; T72-V76 WeakPolarHBondContact O-CG2 3.3Å; T72-V76 PolarHBondContact O-N 3.07Å
73	M	87.9	Confident	90.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-37.7	-176.7	-60.3	-58.5	142.3	0	0	112.3	L65 D67 P70 G71 S75 V76 R77 F90 F92	L65-M73 HydrophobicContact CB-CE 4.35Å; L65-M73 HydrophobicContact CB-SD 4.08Å; D67-M73 HydrophobicContact CB-CE 3.31Å; P70-M73 WeakPolarHBondContact O-CB 3.3Å; P70-M73 PolarHBondContact O-N 3.46Å; G71-M73 VanDerWaalsContact C-N 3.29Å; G71-M73 PolarHBondContact O-N 3Å; M73-S75 VanDerWaalsContact C-N 3.3Å; M73-S75 PolarHBondContact O-N 3.27Å; M73-V76 PolarHBondContact O-N 3.32Å; M73-R77 WeakPolarHBondContact O-CB 3.5Å; M73-R77 WeakPolarHBondContact O-CG 3.39Å; M73-R77 PolarHBondContact O-N 2.71Å; M73-F90 HydrophobicContact CB-CD1 4.3Å; M73-F90 HydrophobicContact CG-CD1 4.37Å; M73-F90 HydrophobicContact SD-CD1 3.6Å; M73-F90 VanDerWaalsContact SD-CD1 3.6Å; M73-F90 HydrophobicContact SD-CE1 4.25Å; M73-F92 HydrophobicContact CG-CB 3.9Å; M73-F92 HydrophobicContact CG-CD1 4.05Å; M73-F92 HydrophobicContact CG-CG 4.09Å
74	D	87.8	Confident	90.6	Very high	105 Å²	105	40.6 Å²	40.6	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-65.6	-37.2	174.8	-67.2	-24.6	0	0	0	111.5	T72 S78	T72-D74 PolarHBondContact O-N 2.92Å; D74-S78 WeakPolarHBondContact O-CB 3.4Å; D74-S78 PolarHBondContact O-N 2.92Å; D74-S78 PolarHBondContact O-OG 3.33Å
75	S	89	Confident	90.4	Very high	82 Å²	82	41 Å²	41	57%	0.573	24%	0.243	S	C	*	.	H	α-helix	trans	-65.5	-40.7	175.3	-57.6	0	0	0	0	111.8	G71 T72 M73 S78 G79	G71-S75 PolarHBondContact O-N 2.74Å; G71-S75 PolarHBondContact O-OG 3.25Å; G71-S75 VanDerWaalsContact O-OG 3.09Å; T72-S75 WeakPolarHBondContact O-CB 3.42Å; T72-S75 PolarHBondContact O-N 3.24Å; M73-S75 VanDerWaalsContact C-N 3.3Å; M73-S75 PolarHBondContact O-N 3.27Å; S75-S78 PolarHBondContact O-OG 3.39Å; S75-S78 VanDerWaalsContact O-OG 3.08Å; S75-G79 PolarHBondContact O-N 3.36Å
76	V	89.9	Confident	90.2	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-44.4	176.4	177	0	0	0	0	111.3	N14 L65 T72 M73 S78 G79 G82 F85	N14-V76 HydrophobicContact CB-CG2 4.07Å; L65-V76 HydrophobicContact CD2-CB 4.36Å; L65-V76 HydrophobicContact CD2-CG1 3.61Å; L65-V76 HydrophobicContact CD2-CG2 4.42Å; T72-V76 WeakPolarHBondContact O-CG2 3.3Å; T72-V76 PolarHBondContact O-N 3.07Å; M73-V76 PolarHBondContact O-N 3.32Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.87Å; V76-G79 PolarHBondContact O-N 3.28Å; V76-G82 WeakPolarHBondContact O-CA 3.21Å; V76-F85 HydrophobicContact CG1-CD2 4.29Å; V76-F85 HydrophobicContact CG1-CE2 4.08Å
77	R	88.9	Confident	90	Very high	71 Å²	71	49 Å²	49	27%	0.268	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-34.2	179.3	-76.9	-172.5	-117.2	-102.3	4.2	113.4	M73 G79 Q83 F90	M73-R77 WeakPolarHBondContact O-CB 3.5Å; M73-R77 WeakPolarHBondContact O-CG 3.39Å; M73-R77 PolarHBondContact O-N 2.71Å; R77-G79 VanDerWaalsContact C-N 3.25Å; R77-Q83 PolarHBondContact O-NE2 2.88Å; R77-F90 HydrophobicContact CG-CE1 3.91Å; R77-F90 HydrophobicContact CG-CZ 3.98Å
78	S	90.1	Very high	89.8	Confident	100 Å²	100	53.7 Å²	53.7	70%	0.699	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.6	175	58.9	0	0	0	0	113.4	D74 S75 V76	D74-S78 WeakPolarHBondContact O-CB 3.4Å; D74-S78 PolarHBondContact O-N 2.92Å; D74-S78 PolarHBondContact O-OG 3.33Å; S75-S78 PolarHBondContact O-OG 3.39Å; S75-S78 VanDerWaalsContact O-OG 3.08Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.87Å
79	G	88.8	Confident	89.9	Confident	23 Å²	23	53.7 Å²	53.7	24%	0.237	31%	0.311	C	S	.	.	S	Bend	trans	-66.8	164.6	174.9	0	0	0	0	0	113.2	S75 V76 R77 F81 G82	S75-G79 PolarHBondContact O-N 3.36Å; V76-G79 PolarHBondContact O-N 3.28Å; R77-G79 VanDerWaalsContact C-N 3.25Å; G79-F81 VanDerWaalsContact C-N 3.27Å; G79-F81 PolarHBondContact O-N 3.34Å; G79-G82 PolarHBondContact O-N 3.27Å
80	P	89.9	Confident	90.2	Very high	85 Å²	85	50.6 Å²	50.6	55%	0.552	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.6	-174.5	-23.8	32.9	0	0	0	114.2	E22 P32	E22-P80 WeakPolarHBondContact OE1-CD 3.47Å; P32-P80 WeakPolarHBondContact CB-O 3.41Å
81	F	91.3	Very high	90.6	Very high	19 Å²	19	48.5 Å²	48.5	8%	0.083	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	15.2	177.3	-78	-102.5	0	0	0	112.4	E22 S25 I30 P32 G79 Q83 I84	E22-F81 HydrophobicContact CB-CD2 4.21Å; E22-F81 HydrophobicContact CG-CB 4.28Å; E22-F81 HydrophobicContact CG-CD2 3.72Å; E22-F81 HydrophobicContact CG-CE2 4.44Å; E22-F81 HydrophobicContact CG-CG 4.3Å; S25-F81 VanDerWaalsContact CB-CE1 3.41Å; I30-F81 WeakPolarHBondContact O-CE1 3.46Å; P32-F81 HydrophobicContact CB-CD1 4.43Å; P32-F81 HydrophobicContact CG-CD1 4.32Å; P32-F81 HydrophobicContact CG-CD2 4.39Å; P32-F81 HydrophobicContact CG-CE1 4.13Å; P32-F81 HydrophobicContact CG-CE2 4.25Å; P32-F81 HydrophobicContact CG-CG 4.46Å; P32-F81 HydrophobicContact CG-CZ 4.12Å; G79-F81 VanDerWaalsContact C-N 3.27Å; G79-F81 PolarHBondContact O-N 3.34Å; F81-Q83 PolarHBondContact O-N 2.7Å; F81-Q83 VanDerWaalsContact O-N 3.11Å; F81-I84 HydrophobicContact CB-CG2 4.35Å; F81-I84 HydrophobicContact CD1-CD1 4.47Å; F81-I84 WeakPolarHBondContact O-CG2 3.14Å; F81-I84 PolarHBondContact O-N 2.87Å
82	G	89	Confident	90.8	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.031	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.8	-175.5	0	0	0	0	0	114.7	V76 G79	V76-G82 WeakPolarHBondContact O-CA 3.21Å; G79-G82 PolarHBondContact O-N 3.27Å
83	Q	90.1	Very high	91	Very high	151 Å²	151	51.2 Å²	51.2	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.4	-177.2	-57.1	-58.1	-46.7	0	0	113.9	R77 F81 F85	R77-Q83 PolarHBondContact O-NE2 2.88Å; F81-Q83 PolarHBondContact O-N 2.7Å; F81-Q83 VanDerWaalsContact O-N 3.11Å; Q83-F85 VanDerWaalsContact C-N 3.34Å
84	I	93.3	Very high	90.9	Very high	9 Å²	9	60.5 Å²	60.5	5%	0.046	33%	0.329	C	S	.	.	S	Bend	trans	-77.9	-24.8	-179.7	-155.3	-178	0	0	0	111.8	I30 Y51 P61 F81	I30-I84 HydrophobicContact CG2-CD1 3.7Å; Y51-I84 HydrophobicContact CE1-CD1 4.37Å; P61-I84 HydrophobicContact CG-CD1 4.18Å; P61-I84 HydrophobicContact CG-CG1 4.36Å; P61-I84 HydrophobicContact CG-CG2 3.71Å; F81-I84 HydrophobicContact CB-CG2 4.35Å; F81-I84 HydrophobicContact CD1-CD1 4.47Å; F81-I84 WeakPolarHBondContact O-CG2 3.14Å; F81-I84 PolarHBondContact O-N 2.87Å
85	F	93.8	Very high	90.8	Very high	9 Å²	9	57.7 Å²	57.7	4%	0.039	32%	0.317	C	S	.	.	S	Bend	trans	-71.6	141.6	-177.8	-64.5	-69.8	0	0	0	111.1	W21 P61 A63 L65 V76 Q83 P87 F90	W21-F85 HydrophobicContact CB-CE1 4.36Å; W21-F85 HydrophobicContact CB-CZ 3.89Å; W21-F85 AromaticContact CD1-CE1 3.46Å; W21-F85 VanDerWaalsContact CD1-CE1 3.46Å; W21-F85 AromaticContact CD1-CZ 3.49Å; W21-F85 VanDerWaalsContact CD1-CZ 3.49Å; W21-F85 HydrophobicContact CD2-CE1 4.27Å; W21-F85 AromaticContact CG-CE1 3.79Å; W21-F85 HydrophobicContact CG-CE1 3.79Å; W21-F85 AromaticContact CG-CZ 3.76Å; W21-F85 HydrophobicContact CG-CZ 3.76Å; W21-F85 AromaticContact NE1-CE1 3.78Å; P61-F85 HydrophobicContact CB-CD1 4.06Å; P61-F85 HydrophobicContact CB-CE1 4.02Å; P61-F85 HydrophobicContact CG-CD1 4.29Å; P61-F85 HydrophobicContact CG-CE1 4.22Å; A63-F85 HydrophobicContact CB-CD1 3.9Å; A63-F85 HydrophobicContact CB-CE1 3.79Å; L65-F85 HydrophobicContact CD1-CB 4.35Å; L65-F85 HydrophobicContact CD1-CD1 3.87Å; L65-F85 HydrophobicContact CD1-CE1 4.37Å; L65-F85 HydrophobicContact CD1-CG 4.1Å; V76-F85 HydrophobicContact CG1-CD2 4.29Å; V76-F85 HydrophobicContact CG1-CE2 4.08Å; Q83-F85 VanDerWaalsContact C-N 3.34Å; F85-P87 WeakPolarHBondContact O-CD 3.3Å; F85-F90 HydrophobicContact CB-CE2 3.57Å; F85-F90 HydrophobicContact CB-CZ 3.65Å; F85-F90 HydrophobicContact CD2-CZ 4.4Å; F85-F90 HydrophobicContact CG-CZ 4.31Å
86	R	92.3	Very high	90.7	Very high	72 Å²	72	54.8 Å²	54.8	27%	0.272	30%	0.301	S	S	.	.			trans	-65.3	124	175.7	-174.8	176.7	-72.9	166.5	-4.9	109.5	V60 D88 N89 F90 E123	V60-R86 HydrophobicContact CG1-CB 4.17Å; R86-D88 HydrophobicContact CG-CB 4.09Å; R86-D88 PolarHBondContact O-N 3.01Å; R86-N89 HydrophobicContact CB-CB 4.29Å; R86-N89 WeakPolarHBondContact CD-OD1 3.3Å; R86-N89 PolarHBondContact O-N 3.03Å; R86-F90 VanDerWaalsContact O-CD2 3.29Å; R86-F90 WeakPolarHBondContact O-CD2 3.38Å; R86-F90 WeakPolarHBondContact O-CE2 3.39Å; R86-E123 IonicContact CZ-OE1 3.81Å; R86-E123 IonicContact NH1-OE1 3.51Å; R86-E123 PolarHBondContact NH1-OE1 2.77Å; R86-E123 IonicContact NH1-OE2 2.84Å
87	P	91.1	Very high	90.5	Very high	96 Å²	96	54.4 Å²	54.4	62%	0.623	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-57	-34.3	179.8	-28.4	36.6	0	0	0	113.9	F85 N89 F90	F85-P87 WeakPolarHBondContact O-CD 3.3Å; P87-N89 PolarHBondContact O-N 3.11Å; P87-F90 WeakPolarHBondContact O-CD2 3.31Å; P87-F90 PolarHBondContact O-N 3.49Å
88	D	91.9	Very high	90.5	Very high	101 Å²	101	53.5 Å²	53.5	54%	0.54	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-64.4	-20.5	176.9	-59.8	-3.3	0	0	0	113.4	R86 F90 K122	R86-D88 HydrophobicContact CG-CB 4.09Å; R86-D88 PolarHBondContact O-N 3.01Å; D88-F90 VanDerWaalsContact C-N 3.32Å; D88-K122 IonicContact OD2-NZ 2.66Å; D88-K122 PolarHBondContact OD2-NZ 2.98Å
89	N	94.1	Very high	90.5	Very high	1 Å²	1	52 Å²	52	1%	0.005	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-92.6	6.1	-176	-65.1	13.7	0	0	0	112.8	A63 L65 R86 P87 V119 E123	A63-N89 VanDerWaalsContact O-CB 3.27Å; A63-N89 WeakPolarHBondContact O-CB 3.31Å; A63-N89 PolarHBondContact O-ND2 3.02Å; L65-N89 PolarHBondContact N-O 3.49Å; R86-N89 HydrophobicContact CB-CB 4.29Å; R86-N89 WeakPolarHBondContact CD-OD1 3.3Å; R86-N89 PolarHBondContact O-N 3.03Å; P87-N89 PolarHBondContact O-N 3.11Å; N89-V119 HydrophobicContact CB-CG1 4.23Å; N89-E123 PolarHBondContact ND2-OE1 3.26Å; N89-E123 PolarHBondContact OD1-OE1 3.48Å
90	F	94.4	Very high	90.7	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	105.7	171.5	-71	-100.9	0	0	0	108.9	L65 M73 R77 F85 R86 P87 D88 F92	L65-F90 HydrophobicContact CB-CD1 4.31Å; L65-F90 HydrophobicContact CD1-CE1 4.47Å; L65-F90 HydrophobicContact CD1-CZ 4.4Å; L65-F90 HydrophobicContact CD2-CE1 3.97Å; L65-F90 HydrophobicContact CD2-CZ 4.41Å; M73-F90 HydrophobicContact CB-CD1 4.3Å; M73-F90 HydrophobicContact CG-CD1 4.37Å; M73-F90 HydrophobicContact SD-CD1 3.6Å; M73-F90 VanDerWaalsContact SD-CD1 3.6Å; M73-F90 HydrophobicContact SD-CE1 4.25Å; R77-F90 HydrophobicContact CG-CE1 3.91Å; R77-F90 HydrophobicContact CG-CZ 3.98Å; F85-F90 HydrophobicContact CB-CE2 3.57Å; F85-F90 HydrophobicContact CB-CZ 3.65Å; F85-F90 HydrophobicContact CD2-CZ 4.4Å; F85-F90 HydrophobicContact CG-CZ 4.31Å; R86-F90 VanDerWaalsContact O-CD2 3.29Å; R86-F90 WeakPolarHBondContact O-CD2 3.38Å; R86-F90 WeakPolarHBondContact O-CE2 3.39Å; P87-F90 WeakPolarHBondContact O-CD2 3.31Å; P87-F90 PolarHBondContact O-N 3.49Å; D88-F90 VanDerWaalsContact C-N 3.32Å; F90-F92 HydrophobicContact CB-CD1 4.41Å
91	V	94.4	Very high	91	Very high	14 Å²	14	47.3 Å²	47.3	9%	0.085	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.5	177	-174.8	0	0	0	0	107.9	L65 V66 D67 L112 V116 V119	L65-V91 PolarHBondContact O-N 3.43Å; V66-V91 WeakPolarHBondContact CA-O 3.47Å; D67-V91 PolarHBondContact N-O 3.23Å; V91-L112 HydrophobicContact CG1-CD1 3.7Å; V91-L112 HydrophobicContact CG1-CD2 4.34Å; V91-L112 HydrophobicContact CG1-CG 3.96Å; V91-V116 HydrophobicContact CB-CG2 3.95Å; V91-V116 HydrophobicContact CG1-CG2 3.55Å; V91-V116 HydrophobicContact CG2-CG2 4.44Å; V91-V119 HydrophobicContact CG2-CG2 3.82Å
92	F	92.8	Very high	91.2	Very high	94 Å²	94	46.4 Å²	46.4	41%	0.412	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.1	-177.2	59.9	-86.3	0	0	0	113.7	D67 P70 M73 F90	D67-F92 CarbonylContact O-C 3.57Å; D67-F92 WeakPolarHBondContact O-CA 3.39Å; D67-F92 WeakPolarHBondContact O-CB 3.49Å; P70-F92 HydrophobicContact CB-CD2 4.04Å; P70-F92 HydrophobicContact CB-CE2 4.43Å; M73-F92 HydrophobicContact CG-CB 3.9Å; M73-F92 HydrophobicContact CG-CD1 4.05Å; M73-F92 HydrophobicContact CG-CG 4.09Å; F90-F92 HydrophobicContact CB-CD1 4.41Å
93	G	89.9	Confident	91.5	Very high	12 Å²	12	49.2 Å²	49.2	12%	0.124	27%	0.268	C	S	.	.			trans	-84.7	178.7	174.8	0	0	0	0	0	112.9	D67 L68	D67-G93 PolarHBondContact O-N 2.67Å; L68-G93 CarbonylContact O-C 3.51Å; L68-G93 WeakPolarHBondContact O-CA 3.09Å
94	Q	86.9	Confident	91.6	Very high	196 Å²	196	42 Å²	42	92%	0.916	23%	0.234	S	C	*	.	S	Bend	trans	-105.7	-16.8	170.4	-62.9	-169.8	-0.3	0	0	112.8
95	S	85.2	Confident	91.7	Very high	45 Å²	45	42.4 Å²	42.4	32%	0.315	24%	0.236	S	C	.	.	S	Bend	trans	-120.6	119.4	-172.4	-175.7	0	0	0	0	108.8	L68 E108	L68-S95 WeakPolarHBondContact CB-O 3.23Å; L68-S95 CarbonylContact O-C 3.4Å; L68-S95 PolarHBondContact O-N 3.37Å; L68-S95 VanDerWaalsContact O-O 3.1Å; S95-E108 VanDerWaalsContact CB-CD 3.47Å; S95-E108 WeakPolarHBondContact CB-OE1 3.23Å; S95-E108 WeakPolarHBondContact CB-OE2 3.4Å; S95-E108 VanDerWaalsContact OG-CD 3.3Å; S95-E108 PolarHBondContact OG-OE1 2.83Å
96	G	86.1	Confident	91.7	Very high	22 Å²	22	46.8 Å²	46.8	23%	0.227	25%	0.253	C	S	.	.			trans	-76.6	152.2	179.2	0	0	0	0	0	113	E69 G98	E69-G96 VanDerWaalsContact CG-CA 3.46Å; G96-G98 PolarHBondContact O-N 2.71Å
97	A	86.3	Confident	91.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	25%	0.251	C	S	.	.			trans	-70.9	-15.8	177.5	0	0	0	0	0	113.9	L68 N99 N100 K103	L68-A97 HydrophobicContact CD1-CB 3.94Å; A97-N99 PolarHBondContact O-N 2.78Å; A97-N100 WeakPolarHBondContact O-CB 3.43Å; A97-N100 PolarHBondContact O-N 3.42Å; A97-K103 HydrophobicContact CB-CB 4.37Å
98	G	87.9	Confident	91.7	Very high	53 Å²	53	43.4 Å²	43.4	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	40.4	175.9	0	0	0	0	0	114.5	G96 N100	G96-G98 PolarHBondContact O-N 2.71Å; G98-N100 PolarHBondContact O-N 3.23Å
99	N	90.9	Very high	91.7	Very high	67 Å²	67	38.6 Å²	38.6	36%	0.358	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	26.1	-174.5	-63.9	-34.9	0	0	0	115.1	A97 T178 V180 N184	A97-N99 PolarHBondContact O-N 2.78Å; N99-T178 HydrophobicContact CB-CG2 4.05Å; N99-V180 HydrophobicContact CB-CG2 4.29Å; N99-V180 WeakPolarHBondContact O-CG2 3.23Å; N99-N184 PolarHBondContact O-ND2 3.3Å
100	N	93.8	Very high	91.6	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	22%	0.222	C	C	.	.			trans	-108.8	114.2	174.9	-172.7	-18.6	0	0	0	110.4	A97 G98 A102 K103 G104 G142 W397 Y398	A97-N100 WeakPolarHBondContact O-CB 3.43Å; A97-N100 PolarHBondContact O-N 3.42Å; G98-N100 PolarHBondContact O-N 3.23Å; N100-A102 VanDerWaalsContact C-N 3.32Å; N100-A102 PolarHBondContact O-N 2.63Å; N100-A102 VanDerWaalsContact OD1-CB 3.31Å; N100-A102 WeakPolarHBondContact OD1-CB 3.35Å; N100-A102 PolarHBondContact OD1-N 3.48Å; N100-K103 HydrophobicContact CB-CB 4.21Å; N100-K103 HydrophobicContact CB-CD 4.28Å; N100-K103 HydrophobicContact CB-CG 4.09Å; N100-K103 PolarHBondContact O-N 3.03Å; N100-G104 PolarHBondContact O-N 3.43Å; N100-G142 WeakPolarHBondContact O-CA 3.34Å; N100-W397 PolarHBondContact ND2-O 2.91Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.44Å
101	W	96.1	Very high	91.5	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-40	176.7	-176	99.5	0	0	0	112.5	K103 G104 H105 Y106 G146 N184 L187 S188 Q191 Y398 M403	W101-K103 VanDerWaalsContact C-N 3.27Å; W101-K103 PolarHBondContact O-N 2.91Å; W101-G104 CarbonylContact O-C 3.38Å; W101-G104 PolarHBondContact O-N 3.23Å; W101-G104 VanDerWaalsContact O-N 3.08Å; W101-H105 HydrophobicContact CD2-CB 4.11Å; W101-H105 HydrophobicContact CE3-CB 3.83Å; W101-H105 HydrophobicContact CH2-CB 3.74Å; W101-H105 AromaticContact CH2-CD2 3.43Å; W101-H105 VanDerWaalsContact CH2-CD2 3.43Å; W101-H105 WeakPolarHBondContact CH2-CD2 3.36Å; W101-H105 AromaticContact CH2-CE1 3.92Å; W101-H105 AromaticContact CH2-CG 3.3Å; W101-H105 AromaticContact CH2-ND1 3.63Å; W101-H105 AromaticContact CH2-NE2 3.83Å; W101-H105 HydrophobicContact CZ2-CB 4.03Å; W101-H105 AromaticContact CZ2-CE1 3.91Å; W101-H105 AromaticContact CZ2-CG 3.61Å; W101-H105 AromaticContact CZ2-ND1 3.48Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.46Å; W101-H105 HydrophobicContact CZ3-CB 3.64Å; W101-H105 AromaticContact CZ3-CD2 3.9Å; W101-H105 AromaticContact CZ3-CG 3.72Å; W101-H105 WeakPolarHBondContact O-CB 3.41Å; W101-H105 PolarHBondContact O-N 3.22Å; W101-Y106 HydrophobicContact CH2-CE2 4.42Å; W101-Y106 HydrophobicContact CZ3-CD2 4.33Å; W101-Y106 AromaticContact CZ3-CE2 3.76Å; W101-Y106 HydrophobicContact CZ3-CE2 3.76Å; W101-G146 VanDerWaalsContact CD1-CA 3.41Å; W101-G146 VanDerWaalsContact CD1-N 3.3Å; W101-N184 HydrophobicContact CB-CB 4.16Å; W101-N184 WeakPolarHBondContact CB-OD1 3.15Å; W101-N184 PolarHBondContact N-OD1 2.8Å; W101-L187 HydrophobicContact CB-CD1 4.28Å; W101-L187 HydrophobicContact CD2-CB 3.83Å; W101-L187 HydrophobicContact CD2-CD1 3.91Å; W101-L187 HydrophobicContact CD2-CG 4.5Å; W101-L187 HydrophobicContact CE3-CB 4.21Å; W101-L187 HydrophobicContact CE3-CD1 3.73Å; W101-L187 HydrophobicContact CE3-CG 4.49Å; W101-L187 HydrophobicContact CG-CB 4.17Å; W101-L187 HydrophobicContact CG-CD1 4.16Å; W101-L187 HydrophobicContact CZ2-CB 4.14Å; W101-L187 HydrophobicContact CZ3-CD1 4.36Å; W101-S188 VanDerWaalsContact CD1-OG 3.25Å; W101-S188 PolarHBondContact NE1-OG 3.24Å; W101-S188 VanDerWaalsContact NE1-OG 3.11Å; W101-Q191 HydrophobicContact CZ2-CG 4.19Å; W101-Y398 HydrophobicContact CB-CE1 4.1Å; W101-M403 HydrophobicContact CE3-CE 4.07Å; W101-M403 HydrophobicContact CE3-SD 3.79Å; W101-M403 HydrophobicContact CZ3-CE 3.72Å; W101-M403 HydrophobicContact CZ3-SD 3.81Å
102	A	95.1	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-38.1	-179.2	0	0	0	0	0	111.8	N100 H105 Y106 Y398 E401 M403	N100-A102 VanDerWaalsContact C-N 3.32Å; N100-A102 PolarHBondContact O-N 2.63Å; N100-A102 VanDerWaalsContact OD1-CB 3.31Å; N100-A102 WeakPolarHBondContact OD1-CB 3.35Å; N100-A102 PolarHBondContact OD1-N 3.48Å; A102-H105 PolarHBondContact O-N 2.96Å; A102-Y106 WeakPolarHBondContact O-CB 3.45Å; A102-Y106 PolarHBondContact O-N 2.86Å; A102-Y398 HydrophobicContact CB-CD1 3.97Å; A102-E401 HydrophobicContact CB-CB 3.76Å; A102-E401 HydrophobicContact CB-CG 4.17Å; A102-M403 HydrophobicContact CB-CG 3.95Å; A102-M403 HydrophobicContact CB-SD 3.47Å; A102-M403 WeakPolarHBondContact CB-SD 3.34Å
103	K	94.2	Very high	91.6	Very high	62 Å²	62	43.1 Å²	43.1	27%	0.27	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-44.1	174.6	-74.7	-168.3	167.5	-164.8	0	112.8	A97 N100 W101 H105 T107 E108 G109 E401	A97-K103 HydrophobicContact CB-CB 4.37Å; N100-K103 HydrophobicContact CB-CB 4.21Å; N100-K103 HydrophobicContact CB-CD 4.28Å; N100-K103 HydrophobicContact CB-CG 4.09Å; N100-K103 PolarHBondContact O-N 3.03Å; W101-K103 VanDerWaalsContact C-N 3.27Å; W101-K103 PolarHBondContact O-N 2.91Å; K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 2.69Å; K103-T107 VanDerWaalsContact CA-OG1 3.3Å; K103-T107 WeakPolarHBondContact CA-OG1 3.42Å; K103-T107 CarbonylContact O-C 3.57Å; K103-T107 PolarHBondContact O-N 2.96Å; K103-T107 PolarHBondContact O-OG1 2.85Å; K103-E108 PolarHBondContact O-N 2.96Å; K103-G109 PolarHBondContact O-N 3.1Å; K103-E401 VanDerWaalsContact CE-CD 3.44Å; K103-E401 WeakPolarHBondContact CE-OE1 3.41Å; K103-E401 VanDerWaalsContact CG-CD 3.46Å; K103-E401 HydrophobicContact CG-CG 3.74Å; K103-E401 WeakPolarHBondContact CG-OE2 3.33Å; K103-E401 IonicContact NZ-OE1 2.85Å
104	G	93.9	Very high	91.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-31.9	176.3	0	0	0	0	0	112.8	N100 W101 G109 G146 M147	N100-G104 PolarHBondContact O-N 3.43Å; W101-G104 CarbonylContact O-C 3.38Å; W101-G104 PolarHBondContact O-N 3.23Å; W101-G104 VanDerWaalsContact O-N 3.08Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.41Å; G104-G146 CarbonylContact O-C 3.59Å; G104-M147 WeakPolarHBondContact O-CA 3.27Å; G104-M147 WeakPolarHBondContact O-CB 3.42Å; G104-M147 PolarHBondContact O-N 3.47Å
105	H	94.9	Very high	92.1	Very high	17 Å²	17	41 Å²	41	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-94.3	-39.7	-172.6	-159.2	80.3	0	0	0	114	W101 A102 K103 G146 T149 L150	W101-H105 HydrophobicContact CD2-CB 4.11Å; W101-H105 HydrophobicContact CE3-CB 3.83Å; W101-H105 HydrophobicContact CH2-CB 3.74Å; W101-H105 AromaticContact CH2-CD2 3.43Å; W101-H105 VanDerWaalsContact CH2-CD2 3.43Å; W101-H105 WeakPolarHBondContact CH2-CD2 3.36Å; W101-H105 AromaticContact CH2-CE1 3.92Å; W101-H105 AromaticContact CH2-CG 3.3Å; W101-H105 AromaticContact CH2-ND1 3.63Å; W101-H105 AromaticContact CH2-NE2 3.83Å; W101-H105 HydrophobicContact CZ2-CB 4.03Å; W101-H105 AromaticContact CZ2-CE1 3.91Å; W101-H105 AromaticContact CZ2-CG 3.61Å; W101-H105 AromaticContact CZ2-ND1 3.48Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.46Å; W101-H105 HydrophobicContact CZ3-CB 3.64Å; W101-H105 AromaticContact CZ3-CD2 3.9Å; W101-H105 AromaticContact CZ3-CG 3.72Å; W101-H105 WeakPolarHBondContact O-CB 3.41Å; W101-H105 PolarHBondContact O-N 3.22Å; A102-H105 PolarHBondContact O-N 2.96Å; K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 2.69Å; H105-G146 PolarHBondContact ND1-O 3.33Å; H105-T149 PolarHBondContact ND1-OG1 3.47Å; H105-L150 WeakPolarHBondContact O-CD2 3.33Å
106	Y	93.6	Very high	92.6	Very high	100 Å²	100	38.9 Å²	38.9	39%	0.392	22%	0.22	S	C	.	.	H	α-helix	trans	-113.1	-26.3	-170	-67.5	-64.2	0	0	0	114.8	W101 A102 M403 E407	W101-Y106 HydrophobicContact CH2-CE2 4.42Å; W101-Y106 HydrophobicContact CZ3-CD2 4.33Å; W101-Y106 AromaticContact CZ3-CE2 3.76Å; W101-Y106 HydrophobicContact CZ3-CE2 3.76Å; A102-Y106 WeakPolarHBondContact O-CB 3.45Å; A102-Y106 PolarHBondContact O-N 2.86Å; Y106-M403 HydrophobicContact CD2-CG 3.64Å; Y106-M403 HydrophobicContact CD2-SD 4.28Å; Y106-M403 HydrophobicContact CE2-CE 4.32Å; Y106-M403 HydrophobicContact CE2-CG 3.37Å; Y106-M403 HydrophobicContact CE2-SD 3.96Å; Y106-E407 PolarHBondContact OH-OE2 3.29Å
107	T	92.3	Very high	93	Very high	39 Å²	39	38 Å²	38	24%	0.239	21%	0.21	C	C	.	.	S	Bend	trans	-112.2	-96.6	-175.6	63	0	0	0	0	111.8	K103 G109 A110 E111 E401	K103-T107 VanDerWaalsContact CA-OG1 3.3Å; K103-T107 WeakPolarHBondContact CA-OG1 3.42Å; K103-T107 CarbonylContact O-C 3.57Å; K103-T107 PolarHBondContact O-N 2.96Å; K103-T107 PolarHBondContact O-OG1 2.85Å; T107-G109 VanDerWaalsContact C-N 3.34Å; T107-G109 PolarHBondContact O-N 3Å; T107-A110 WeakPolarHBondContact O-CB 3.41Å; T107-A110 PolarHBondContact O-N 3.25Å; T107-A110 VanDerWaalsContact O-N 3.08Å; T107-E111 PolarHBondContact O-N 2.91Å; T107-E111 VanDerWaalsContact O-N 3.16Å; T107-E401 HydrophobicContact CG2-CB 4.24Å; T107-E401 VanDerWaalsContact CG2-OE2 3.26Å; T107-E401 WeakPolarHBondContact CG2-OE2 3Å; T107-E401 PolarHBondContact OG1-OE2 2.92Å
108	E	91.8	Very high	93.5	Very high	58 Å²	58	42.5 Å²	42.5	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-58.3	-41.8	-173.4	-61.3	-74.8	-176.1	0	0	112.9	L68 S95 K103 E111 L112	L68-E108 HydrophobicContact CD1-CB 4.14Å; L68-E108 HydrophobicContact CD2-CB 4.16Å; S95-E108 VanDerWaalsContact CB-CD 3.47Å; S95-E108 WeakPolarHBondContact CB-OE1 3.23Å; S95-E108 WeakPolarHBondContact CB-OE2 3.4Å; S95-E108 VanDerWaalsContact OG-CD 3.3Å; S95-E108 PolarHBondContact OG-OE1 2.83Å; K103-E108 PolarHBondContact O-N 2.96Å; E108-E111 PolarHBondContact O-N 2.75Å; E108-L112 PolarHBondContact O-N 3.23Å
109	G	90.8	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.9	-28.8	178.7	0	0	0	0	0	113.6	K103 G104 T107 E111 L112 V113	K103-G109 PolarHBondContact O-N 3.1Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.41Å; T107-G109 VanDerWaalsContact C-N 3.34Å; T107-G109 PolarHBondContact O-N 3Å; G109-E111 VanDerWaalsContact C-N 3.34Å; G109-L112 PolarHBondContact O-N 3.26Å; G109-V113 WeakPolarHBondContact O-CB 3.42Å; G109-V113 PolarHBondContact O-N 3.28Å
110	A	92.4	Very high	94.1	Very high	36 Å²	36	37.7 Å²	37.7	30%	0.298	20%	0.196	S	C	.	.	H	α-helix	trans	-70.5	-30.5	175	0	0	0	0	0	112.1	T107 V113 L150	T107-A110 WeakPolarHBondContact O-CB 3.41Å; T107-A110 PolarHBondContact O-N 3.25Å; T107-A110 VanDerWaalsContact O-N 3.08Å; A110-V113 WeakPolarHBondContact O-CG1 3.43Å; A110-L150 HydrophobicContact CB-CD2 4.18Å
111	E	92.6	Very high	94.2	Very high	155 Å²	155	41 Å²	41	72%	0.724	21%	0.208	S	C	*	.	H	α-helix	trans	-71.2	-33.7	172.8	-65.4	-172.8	179.7	0	0	112.3	T107 E108 G109	T107-E111 PolarHBondContact O-N 2.91Å; T107-E111 VanDerWaalsContact O-N 3.16Å; E108-E111 PolarHBondContact O-N 2.75Å; G109-E111 VanDerWaalsContact C-N 3.34Å
112	L	93.8	Very high	94.1	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-87	-22.8	-177.7	-168.5	63.7	0	0	0	113.6	L68 V91 E108 G109 D114 S115 V116 M147	L68-L112 HydrophobicContact CD2-CB 4.19Å; L68-L112 HydrophobicContact CD2-CD2 3.75Å; V91-L112 HydrophobicContact CG1-CD1 3.7Å; V91-L112 HydrophobicContact CG1-CD2 4.34Å; V91-L112 HydrophobicContact CG1-CG 3.96Å; E108-L112 PolarHBondContact O-N 3.23Å; G109-L112 PolarHBondContact O-N 3.26Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 2.63Å; L112-S115 WeakPolarHBondContact O-CB 3.42Å; L112-S115 PolarHBondContact O-N 2.82Å; L112-S115 VanDerWaalsContact O-N 3.15Å; L112-V116 PolarHBondContact O-N 2.82Å; L112-M147 HydrophobicContact CB-CE 3.77Å; L112-M147 HydrophobicContact CD2-CE 3.86Å; L112-M147 HydrophobicContact CD2-SD 4.31Å; L112-M147 HydrophobicContact CG-CE 3.84Å
113	V	94.1	Very high	94.1	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-39.9	-171.8	76.6	0	0	0	0	112.8	G109 A110 S115 V116 L117 L150 L151 K154	G109-V113 WeakPolarHBondContact O-CB 3.42Å; G109-V113 PolarHBondContact O-N 3.28Å; A110-V113 WeakPolarHBondContact O-CG1 3.43Å; V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 PolarHBondContact O-N 3.15Å; V113-V116 WeakPolarHBondContact O-CB 3.47Å; V113-V116 PolarHBondContact O-N 3.36Å; V113-V116 VanDerWaalsContact O-N 3.09Å; V113-L117 HydrophobicContact CG2-CD1 4.28Å; V113-L117 HydrophobicContact CG2-CG 4.41Å; V113-L117 WeakPolarHBondContact O-CG 3.4Å; V113-L117 PolarHBondContact O-N 3.33Å; V113-L150 HydrophobicContact CB-CD2 3.97Å; V113-L150 HydrophobicContact CG1-CD2 4.15Å; V113-L150 HydrophobicContact CG2-CD2 4.03Å; V113-L150 HydrophobicContact CG2-CG 4.17Å; V113-L151 HydrophobicContact CG2-CD2 3.51Å; V113-L151 HydrophobicContact CG2-CG 4.04Å; V113-K154 HydrophobicContact CG2-CG 4.49Å
114	D	93.9	Very high	94	Very high	102 Å²	102	43.3 Å²	43.3	55%	0.545	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-38.9	-178.1	-72.6	-26.7	0	0	0	111.6	L112 V116 L117 D118	L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 2.63Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 3.05Å; D114-L117 PolarHBondContact O-N 2.71Å; D114-D118 PolarHBondContact O-N 2.99Å
115	S	94.9	Very high	94	Very high	62 Å²	62	51.2 Å²	51.2	43%	0.434	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-36.8	175.6	-62.3	0	0	0	0	111.7	L112 V113 V119	L112-S115 WeakPolarHBondContact O-CB 3.42Å; L112-S115 PolarHBondContact O-N 2.82Å; L112-S115 VanDerWaalsContact O-N 3.15Å; V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 PolarHBondContact O-N 3.15Å; S115-V119 PolarHBondContact O-N 2.65Å
116	V	95.2	Very high	93.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.2	-45	175	-178.9	0	0	0	0	110.4	I64 V66 V91 L112 V113 D114 D118 V119 V120 M147 L151	I64-V116 HydrophobicContact CG2-CG1 4.2Å; V66-V116 HydrophobicContact CB-CG2 4.45Å; V66-V116 HydrophobicContact CG1-CG2 3.73Å; V66-V116 HydrophobicContact CG2-CB 4.44Å; V66-V116 HydrophobicContact CG2-CG1 3.67Å; V66-V116 HydrophobicContact CG2-CG2 3.81Å; V91-V116 HydrophobicContact CB-CG2 3.95Å; V91-V116 HydrophobicContact CG1-CG2 3.55Å; V91-V116 HydrophobicContact CG2-CG2 4.44Å; L112-V116 PolarHBondContact O-N 2.82Å; V113-V116 WeakPolarHBondContact O-CB 3.47Å; V113-V116 PolarHBondContact O-N 3.36Å; V113-V116 VanDerWaalsContact O-N 3.09Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 3.05Å; V116-D118 VanDerWaalsContact C-N 3.27Å; V116-D118 PolarHBondContact O-N 3.21Å; V116-V119 PolarHBondContact O-N 3.39Å; V116-V119 VanDerWaalsContact O-N 3.09Å; V116-V120 HydrophobicContact CG1-CG2 4.21Å; V116-V120 WeakPolarHBondContact O-CG2 3.04Å; V116-V120 PolarHBondContact O-N 3.1Å; V116-M147 HydrophobicContact CG2-CE 3.74Å; V116-L151 HydrophobicContact CB-CD2 3.83Å; V116-L151 HydrophobicContact CG1-CD1 4.17Å; V116-L151 HydrophobicContact CG1-CD2 3.56Å
117	L	95.2	Very high	93.7	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-35.7	-179.9	-71.8	171.8	0	0	0	112.1	V113 D114 V119 V120 R121 K154 I155	V113-L117 HydrophobicContact CG2-CD1 4.28Å; V113-L117 HydrophobicContact CG2-CG 4.41Å; V113-L117 WeakPolarHBondContact O-CG 3.4Å; V113-L117 PolarHBondContact O-N 3.33Å; D114-L117 PolarHBondContact O-N 2.71Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 PolarHBondContact O-N 3.19Å; L117-V120 WeakPolarHBondContact O-CB 3.31Å; L117-V120 PolarHBondContact O-N 2.76Å; L117-R121 WeakPolarHBondContact O-CB 3.07Å; L117-R121 VanDerWaalsContact O-CG 3.29Å; L117-R121 WeakPolarHBondContact O-CG 3.3Å; L117-R121 PolarHBondContact O-N 3.2Å; L117-K154 HydrophobicContact CD1-CB 3.84Å; L117-K154 HydrophobicContact CD1-CG 4.24Å; L117-K154 HydrophobicContact CD2-CB 4.06Å; L117-I155 HydrophobicContact CD2-CG1 4.01Å
118	D	95.9	Very high	93.6	Very high	95 Å²	95	53 Å²	53	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-38.9	174.2	-74.6	-14.8	0	0	0	112.6	D114 V116 R121 K122	D114-D118 PolarHBondContact O-N 2.99Å; V116-D118 VanDerWaalsContact C-N 3.27Å; V116-D118 PolarHBondContact O-N 3.21Å; D118-R121 IonicContact OD1-CZ 3.48Å; D118-R121 IonicContact OD1-NH1 3.35Å; D118-R121 PolarHBondContact OD1-NH1 3.1Å; D118-K122 WeakPolarHBondContact O-CB 3.35Å; D118-K122 PolarHBondContact O-N 2.89Å
119	V	96.1	Very high	93.5	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-40.6	173.7	-179	0	0	0	0	110.8	I64 N89 V91 S115 V116 L117 R121 K122 E123	I64-V119 HydrophobicContact CD1-CG1 3.96Å; I64-V119 HydrophobicContact CG1-CG1 3.91Å; I64-V119 HydrophobicContact CG2-CG1 4.14Å; N89-V119 HydrophobicContact CB-CG1 4.23Å; V91-V119 HydrophobicContact CG2-CG2 3.82Å; S115-V119 PolarHBondContact O-N 2.65Å; V116-V119 PolarHBondContact O-N 3.39Å; V116-V119 VanDerWaalsContact O-N 3.09Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 PolarHBondContact O-N 3.19Å; V119-R121 VanDerWaalsContact C-N 3.33Å; V119-R121 PolarHBondContact O-N 3.07Å; V119-K122 PolarHBondContact O-N 3.06Å; V119-E123 PolarHBondContact O-N 3.47Å
120	V	95.7	Very high	93.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-46.4	175.2	174.4	0	0	0	0	110.6	L7 I64 V116 L117 E123 A124 F133 I155	L7-V120 HydrophobicContact CD2-CG2 3.82Å; I64-V120 HydrophobicContact CD1-CB 4.1Å; I64-V120 HydrophobicContact CD1-CG2 3.47Å; I64-V120 VanDerWaalsContact CD1-CG2 3.47Å; V116-V120 HydrophobicContact CG1-CG2 4.21Å; V116-V120 WeakPolarHBondContact O-CG2 3.04Å; V116-V120 PolarHBondContact O-N 3.1Å; L117-V120 WeakPolarHBondContact O-CB 3.31Å; L117-V120 PolarHBondContact O-N 2.76Å; V120-E123 PolarHBondContact O-N 2.82Å; V120-A124 VanDerWaalsContact O-CB 3.25Å; V120-A124 WeakPolarHBondContact O-CB 3.45Å; V120-A124 PolarHBondContact O-N 2.97Å; V120-F133 HydrophobicContact CG1-CD1 4.34Å; V120-F133 HydrophobicContact CG1-CE1 3.54Å; V120-F133 HydrophobicContact CG1-CZ 4.09Å; V120-I155 HydrophobicContact CG1-CD1 4.45Å; V120-I155 HydrophobicContact CG1-CG1 4.46Å
121	R	95.7	Very high	93.5	Very high	77 Å²	77	53.2 Å²	53.2	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-58.3	-48.4	175.2	-75.6	169.3	-167.3	133.4	6.6	111.7	L117 D118 V119 E123 A124 E125 E158	L117-R121 WeakPolarHBondContact O-CB 3.07Å; L117-R121 VanDerWaalsContact O-CG 3.29Å; L117-R121 WeakPolarHBondContact O-CG 3.3Å; L117-R121 PolarHBondContact O-N 3.2Å; D118-R121 IonicContact OD1-CZ 3.48Å; D118-R121 IonicContact OD1-NH1 3.35Å; D118-R121 PolarHBondContact OD1-NH1 3.1Å; V119-R121 VanDerWaalsContact C-N 3.33Å; V119-R121 PolarHBondContact O-N 3.07Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 2.84Å; R121-A124 PolarHBondContact O-N 2.99Å; R121-A124 VanDerWaalsContact O-N 3.15Å; R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 WeakPolarHBondContact O-CG 3.25Å; R121-E125 PolarHBondContact O-N 3.21Å; R121-E158 WeakPolarHBondContact CD-OE1 3.33Å; R121-E158 WeakPolarHBondContact CG-OE1 3.31Å; R121-E158 IonicContact CZ-OE1 3.25Å; R121-E158 IonicContact CZ-OE2 3.57Å; R121-E158 VanDerWaalsContact CZ-OE2 3.3Å; R121-E158 VanDerWaalsContact NE-CD 3.33Å; R121-E158 IonicContact NE-OE1 3.89Å; R121-E158 PolarHBondContact NE-OE1 3.38Å; R121-E158 IonicContact NE-OE2 2.91Å; R121-E158 PolarHBondContact NE-OE2 3.49Å; R121-E158 IonicContact NH2-OE1 3.91Å; R121-E158 IonicContact NH2-OE2 3.05Å; R121-E158 PolarHBondContact NH2-OE2 2.71Å
122	K	95	Very high	93.5	Very high	101 Å²	101	45.8 Å²	45.8	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-58.6	-42.6	178.9	-175.5	-178.1	175.8	-173.8	0	112.2	D88 D118 V119 S126	D88-K122 IonicContact OD2-NZ 2.66Å; D88-K122 PolarHBondContact OD2-NZ 2.98Å; D118-K122 WeakPolarHBondContact O-CB 3.35Å; D118-K122 PolarHBondContact O-N 2.89Å; V119-K122 PolarHBondContact O-N 3.06Å; K122-S126 PolarHBondContact O-N 3.48Å
123	E	93.9	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-72.2	-37.9	175.9	-66.9	-63.9	156.5	0	0	111.8	V5 N52 R62 I64 R86 N89 V119 V120 R121 S126 C127	V5-E123 HydrophobicContact CG1-CB 4.48Å; V5-E123 HydrophobicContact CG2-CB 4.18Å; N52-E123 PolarHBondContact ND2-OE2 2.91Å; R62-E123 HydrophobicContact CG-CB 4.35Å; I64-E123 HydrophobicContact CD1-CG 4.33Å; I64-E123 HydrophobicContact CG1-CG 4.45Å; R86-E123 IonicContact CZ-OE1 3.81Å; R86-E123 IonicContact NH1-OE1 3.51Å; R86-E123 PolarHBondContact NH1-OE1 2.77Å; R86-E123 IonicContact NH1-OE2 2.84Å; N89-E123 PolarHBondContact ND2-OE1 3.26Å; N89-E123 PolarHBondContact OD1-OE1 3.48Å; V119-E123 PolarHBondContact O-N 3.47Å; V120-E123 PolarHBondContact O-N 2.82Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 2.84Å; E123-S126 PolarHBondContact O-N 2.87Å; E123-S126 PolarHBondContact O-OG 2.9Å; E123-C127 PolarHBondContact O-N 3.44Å; E123-C127 PolarHBondContact O-SG 3.16Å
124	A	92.9	Very high	93.7	Very high	12 Å²	12	44.7 Å²	44.7	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-43	176.8	0	0	0	0	0	112.3	V120 R121 S126 C127 L130 Y159	V120-A124 VanDerWaalsContact O-CB 3.25Å; V120-A124 WeakPolarHBondContact O-CB 3.45Å; V120-A124 PolarHBondContact O-N 2.97Å; R121-A124 PolarHBondContact O-N 2.99Å; R121-A124 VanDerWaalsContact O-N 3.15Å; A124-S126 VanDerWaalsContact C-N 3.26Å; A124-S126 PolarHBondContact O-N 2.81Å; A124-C127 VanDerWaalsContact CA-SG 3.52Å; A124-C127 VanDerWaalsContact O-CB 3.27Å; A124-C127 WeakPolarHBondContact O-CB 3.4Å; A124-C127 PolarHBondContact O-N 3.48Å; A124-C127 VanDerWaalsContact O-N 3.15Å; A124-C127 PolarHBondContact O-SG 3.24Å; A124-L130 HydrophobicContact CB-CD2 4.13Å; A124-Y159 HydrophobicContact CB-CE1 4.11Å
125	E	92.9	Very high	93.9	Very high	167 Å²	167	40 Å²	40	78%	0.78	21%	0.214	S	C	*	.	H	α-helix	trans	-67.7	-25.6	175.7	-72.3	-176	168.5	0	0	112.9	R121 C127	R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 WeakPolarHBondContact O-CG 3.25Å; R121-E125 PolarHBondContact O-N 3.21Å; E125-C127 PolarHBondContact O-N 3.37Å
126	S	90.4	Very high	94	Very high	57 Å²	57	37.1 Å²	37.1	40%	0.399	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.9	174.6	79.4	0	0	0	0	114	K122 E123 A124	K122-S126 PolarHBondContact O-N 3.48Å; E123-S126 PolarHBondContact O-N 2.87Å; E123-S126 PolarHBondContact O-OG 2.9Å; A124-S126 VanDerWaalsContact C-N 3.26Å; A124-S126 PolarHBondContact O-N 2.81Å
127	C	92	Very high	94	Very high	18 Å²	18	37.2 Å²	37.2	12%	0.122	19%	0.194	C	C	.	.			trans	-83.7	141.5	175.8	-42.9	0	0	0	0	111.2	E3 R62 E123 A124 E125 L130	E3-C127 WeakPolarHBondContact OE1-CA 3.36Å; R62-C127 PolarHBondContact NH1-SG 3.38Å; E123-C127 PolarHBondContact O-N 3.44Å; E123-C127 PolarHBondContact O-SG 3.16Å; A124-C127 VanDerWaalsContact CA-SG 3.52Å; A124-C127 VanDerWaalsContact O-CB 3.27Å; A124-C127 WeakPolarHBondContact O-CB 3.4Å; A124-C127 PolarHBondContact O-N 3.48Å; A124-C127 VanDerWaalsContact O-N 3.15Å; A124-C127 PolarHBondContact O-SG 3.24Å; E125-C127 PolarHBondContact O-N 3.37Å; C127-L130 HydrophobicContact CB-CB 4.06Å
128	D	90.1	Very high	94	Very high	117 Å²	117	37.9 Å²	37.9	63%	0.626	20%	0.199	S	C	*	.	S	Bend	trans	-73.7	-44.9	163.9	-69.2	-28.8	0	0	0	110.7	M1 E3	M1-D128 HydrophobicContact CB-CB 4.26Å; M1-D128 VanDerWaalsContact CE-OD2 3.25Å; M1-D128 WeakPolarHBondContact CE-OD2 3.44Å; E3-D128 PolarHBondContact OE1-N 3.22Å
129	C	90.3	Very high	93.9	Very high	64 Å²	64	33.6 Å²	33.6	43%	0.432	18%	0.176	S	C	.	.	S	Bend	trans	-150.1	88.2	177.6	-169.5	0	0	0	0	112	R2 E3 Q131	R2-C129 WeakPolarHBondContact CA-O 3.25Å; E3-C129 PolarHBondContact N-O 3.15Å; E3-C129 VanDerWaalsContact N-O 3.15Å; E3-C129 VanDerWaalsContact OE2-C 3.28Å; E3-C129 PolarHBondContact OE2-N 3.01Å; C129-Q131 PolarHBondContact O-N 3.19Å
130	L	92.7	Very high	93.6	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	120	176.9	-177.9	64.1	0	0	0	111.6	V5 A124 C127 G132 F133 R162	V5-L130 HydrophobicContact CB-CD1 4.43Å; V5-L130 HydrophobicContact CG2-CD1 3.75Å; A124-L130 HydrophobicContact CB-CD2 4.13Å; C127-L130 HydrophobicContact CB-CB 4.06Å; L130-G132 WeakPolarHBondContact CD1-O 3.42Å; L130-F133 HydrophobicContact CD2-CE1 4.21Å; L130-F133 HydrophobicContact CD2-CE2 4Å; L130-F133 HydrophobicContact CD2-CZ 3.63Å; L130-R162 HydrophobicContact CD2-CG 4.26Å; L130-R162 WeakPolarHBondContact O-CD 3.2Å; L130-R162 PolarHBondContact O-NH1 2.91Å
131	Q	90	Very high	93.3	Very high	26 Å²	26	33.4 Å²	33.4	12%	0.121	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-44.3	171	-68.8	-168.9	74.2	0	0	111.4	R2 E3 I4 C129 I163 D249 L250	R2-Q131 HydrophobicContact CB-CG 3.69Å; R2-Q131 VanDerWaalsContact CB-NE2 3.34Å; R2-Q131 HydrophobicContact CG-CG 4.34Å; R2-Q131 PolarHBondContact O-NE2 3.15Å; E3-Q131 WeakPolarHBondContact O-CB 3.43Å; E3-Q131 PolarHBondContact O-N 2.91Å; I4-Q131 HydrophobicContact CG1-CB 4.21Å; C129-Q131 PolarHBondContact O-N 3.19Å; Q131-I163 PolarHBondContact O-N 3.49Å; Q131-D249 VanDerWaalsContact OE1-CB 3.31Å; Q131-L250 HydrophobicContact CB-CD1 4.21Å; Q131-L250 VanDerWaalsContact OE1-N 3.14Å
132	G	93.4	Very high	93.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-172.4	-167.3	0	0	0	0	0	113.8	V5 L130 I163	V5-G132 PolarHBondContact N-O 3.28Å; L130-G132 WeakPolarHBondContact CD1-O 3.42Å; G132-I163 CarbonylContact C-O 3.59Å; G132-I163 WeakPolarHBondContact CA-O 3.31Å
133	F	96.3	Very high	93.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143	-177.7	-58.4	-84.1	0	0	0	109.9	V5 L7 V120 L130 I155 Y159 R162 I163 M164 N165	V5-F133 HydrophobicContact CB-CD1 3.69Å; V5-F133 HydrophobicContact CB-CE1 3.92Å; V5-F133 HydrophobicContact CG1-CD1 4Å; V5-F133 HydrophobicContact CG1-CE1 4.2Å; V5-F133 HydrophobicContact CG2-CD1 4.48Å; V5-F133 HydrophobicContact CG2-CE1 4.24Å; V5-F133 WeakPolarHBondContact O-CA 3.49Å; L7-F133 HydrophobicContact CD1-CB 3.96Å; L7-F133 HydrophobicContact CD1-CD1 3.83Å; L7-F133 HydrophobicContact CD1-CG 4.33Å; V120-F133 HydrophobicContact CG1-CD1 4.34Å; V120-F133 HydrophobicContact CG1-CE1 3.54Å; V120-F133 HydrophobicContact CG1-CZ 4.09Å; L130-F133 HydrophobicContact CD2-CE1 4.21Å; L130-F133 HydrophobicContact CD2-CE2 4Å; L130-F133 HydrophobicContact CD2-CZ 3.63Å; F133-I155 HydrophobicContact CD1-CG2 4.3Å; F133-I155 HydrophobicContact CD2-CG2 3.3Å; F133-I155 HydrophobicContact CE1-CG2 4.31Å; F133-I155 HydrophobicContact CE2-CG2 3.28Å; F133-I155 HydrophobicContact CG-CG2 3.82Å; F133-I155 HydrophobicContact CZ-CG2 3.81Å; F133-Y159 AromaticContact CE2-CD2 3.92Å; F133-Y159 HydrophobicContact CE2-CD2 3.92Å; F133-Y159 AromaticContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CZ-CD1 4.38Å; F133-Y159 AromaticContact CZ-CD2 3.73Å; F133-Y159 HydrophobicContact CZ-CD2 3.73Å; F133-Y159 HydrophobicContact CZ-CE2 4.1Å; F133-Y159 AromaticContact CZ-CG 3.9Å; F133-Y159 HydrophobicContact CZ-CG 3.9Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.21Å; F133-I163 PolarHBondContact N-O 3.38Å; F133-M164 HydrophobicContact CB-CE 3.76Å; F133-M164 HydrophobicContact CB-SD 3.89Å; F133-M164 HydrophobicContact CD2-CE 4.08Å; F133-M164 HydrophobicContact CG-CE 4.17Å; F133-N165 PolarHBondContact O-N 2.82Å
134	Q	95.8	Very high	93	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.028	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109.7	175	-178.8	-174.6	-15	0	0	109.4	I4 V5 H6 L7 Y50 N165 F167	I4-Q134 HydrophobicContact CG2-CB 3.93Å; V5-Q134 PolarHBondContact O-N 3.36Å; H6-Q134 CarbonylContact C-O 3.58Å; H6-Q134 WeakPolarHBondContact CA-O 3.27Å; H6-Q134 PolarHBondContact ND1-O 3.46Å; L7-Q134 PolarHBondContact N-O 3.41Å; Y50-Q134 PolarHBondContact OH-OE1 3.05Å; Q134-N165 CarbonylContact C-O 3.54Å; Q134-N165 VanDerWaalsContact CA-O 3.32Å; Q134-N165 WeakPolarHBondContact CA-O 3.18Å; Q134-F167 HydrophobicContact CG-CD2 3.8Å; Q134-F167 HydrophobicContact CG-CE2 3.67Å
135	L	96.9	Very high	93.1	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.4	177.3	-179.3	66.7	0	0	0	111.6	L7 A9 H137 I152 N165 T166 F167	L7-L135 HydrophobicContact CB-CD1 3.61Å; L7-L135 CarbonylContact O-C 3.45Å; L7-L135 VanDerWaalsContact O-CA 3.32Å; L7-L135 WeakPolarHBondContact O-CA 3.28Å; A9-L135 HydrophobicContact CB-CD1 4Å; L135-H137 HydrophobicContact CD2-CB 4.43Å; L135-H137 WeakPolarHBondContact CD2-ND1 3.32Å; L135-H137 HydrophobicContact CG-CB 4.33Å; L135-I152 HydrophobicContact CD2-CD1 3.67Å; L135-I152 HydrophobicContact CD2-CG1 3.69Å; L135-N165 PolarHBondContact N-O 3.47Å; L135-T166 HydrophobicContact CB-CG2 4.28Å; L135-T166 CarbonylContact O-C 3.49Å; L135-T166 WeakPolarHBondContact O-CA 3.11Å; L135-F167 PolarHBondContact O-N 2.8Å
136	T	96.7	Very high	93.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.2	164	52.3	0	0	0	0	110.4	L7 Q8 A9 G13 I16 F167 M233	L7-T136 PolarHBondContact O-N 3.15Å; L7-T136 PolarHBondContact O-OG1 3.48Å; Q8-T136 WeakPolarHBondContact CG-OG1 3.44Å; A9-T136 PolarHBondContact N-O 2.82Å; G13-T136 VanDerWaalsContact CA-O 3.23Å; G13-T136 WeakPolarHBondContact CA-O 3.4Å; G13-T136 PolarHBondContact O-OG1 3.45Å; I16-T136 HydrophobicContact CG2-CG2 4.5Å; T136-F167 HydrophobicContact CG2-CB 3.92Å; T136-F167 HydrophobicContact CG2-CD2 4.4Å; T136-F167 HydrophobicContact CG2-CG 4.45Å; T136-M233 HydrophobicContact CG2-CE 3.31Å; T136-M233 HydrophobicContact CG2-SD 4.15Å
137	H	96.4	Very high	93.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	170.3	-179	69.1	173.1	0	0	0	112.3	A9 L135 G144 F167 S168 V169	A9-H137 HydrophobicContact CB-CB 4.29Å; L135-H137 HydrophobicContact CD2-CB 4.43Å; L135-H137 WeakPolarHBondContact CD2-ND1 3.32Å; L135-H137 HydrophobicContact CG-CB 4.33Å; H137-G144 WeakPolarHBondContact CB-O 3.1Å; H137-G144 PolarHBondContact ND1-O 3.42Å; H137-F167 PolarHBondContact N-O 3.37Å; H137-S168 PolarHBondContact CD2-OG 2.85Å; H137-S168 PolarHBondContact NE2-OG 3.17Å; H137-V169 PolarHBondContact O-N 3.1Å
138	S	94.5	Very high	93.5	Very high	20 Å²	20	13.6 Å²	13.6	14%	0.14	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.4	169.1	61.6	0	0	0	0	111	G144 S145	S138-G144 CarbonylContact O-C 3.18Å; S138-S145 WeakPolarHBondContact O-CA 3.37Å; S138-S145 WeakPolarHBondContact O-CB 3.47Å; S138-S145 PolarHBondContact O-N 2.93Å; S138-S145 VanDerWaalsContact O-N 3.13Å
139	L	93.8	Very high	93.8	Very high	4 Å²	4	8 Å²	8	2%	0.021	5%	0.053	C	C	.	.	S	Bend	trans	-83.7	-20.5	178.6	-53.1	-176.1	0	0	0	112.5	S145 V169 V170 N184 A185 V189 L192	L139-S145 WeakPolarHBondContact O-CB 3.39Å; L139-V169 PolarHBondContact N-O 2.95Å; L139-V170 HydrophobicContact CD1-CG2 4.23Å; L139-N184 CarbonylContact O-C 3.44Å; L139-N184 VanDerWaalsContact O-CB 3.3Å; L139-N184 WeakPolarHBondContact O-CB 3.22Å; L139-A185 HydrophobicContact CB-CB 4.15Å; L139-A185 WeakPolarHBondContact O-CA 3.42Å; L139-A185 PolarHBondContact O-N 2.71Å; L139-V189 HydrophobicContact CD1-CG2 4.11Å; L139-L192 HydrophobicContact CD1-CD1 4.23Å; L139-L192 HydrophobicContact CD2-CD1 3.69Å
140	G	89.5	Confident	94	Very high	4 Å²	4	6 Å²	6	4%	0.041	4%	0.038	C	C	.	.	S	Bend	trans	-82.9	-20.2	-178.9	0	0	0	0	0	115.2	N184	G140-N184 PolarHBondContact O-ND2 2.94Å
141	G	90.8	Very high	94.2	Very high	11 Å²	11	5.7 Å²	5.7	11%	0.113	4%	0.036	C	C	.	.	S	Bend	trans	-75.1	-166.8	-177.8	0	0	0	0	0	113.3	S145 N184	G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-OG 3.32Å; G141-N184 WeakPolarHBondContact O-CB 3.38Å; G141-N184 VanDerWaalsContact O-CG 3.24Å; G141-N184 PolarHBondContact O-ND2 2.91Å
142	G	91.8	Very high	94.4	Very high	3 Å²	3	4.6 Å²	4.6	3%	0.031	3%	0.031	C	C	.	.	S	Bend	trans	-105.6	-48.3	168.3	0	0	0	0	0	112.6	N100 S145 G146	N100-G142 WeakPolarHBondContact O-CA 3.34Å; G142-S145 PolarHBondContact O-OG 3.06Å; G142-G146 PolarHBondContact O-N 3.05Å
143	T	93.6	Very high	94.5	Very high	11 Å²	11	5.8 Å²	5.8	7%	0.067	4%	0.039	C	C	.	.	I	π-helix	trans	-69.2	-57.6	179	-48.3	0	0	0	0	111.9	L68 S145 M147 G148	L68-T143 HydrophobicContact CB-CG2 4.04Å; L68-T143 HydrophobicContact CD1-CG2 3.95Å; L68-T143 HydrophobicContact CG-CG2 3.77Å; T143-S145 PolarHBondContact O-N 3.37Å; T143-M147 HydrophobicContact CG2-CB 4.39Å; T143-M147 HydrophobicContact CG2-SD 4.29Å; T143-M147 WeakPolarHBondContact O-CA 3.3Å; T143-M147 WeakPolarHBondContact O-CB 3.49Å; T143-M147 PolarHBondContact O-N 3.27Å; T143-G148 PolarHBondContact O-N 3.25Å
144	G	92.9	Very high	94.5	Very high	2 Å²	2	9 Å²	9	2%	0.021	5%	0.053	C	C	.	.	I	π-helix	trans	-60.7	-35.8	-176.2	0	0	0	0	0	112.4	A9 H137 S138 G148	A9-G144 WeakPolarHBondContact O-CA 3.31Å; H137-G144 WeakPolarHBondContact CB-O 3.1Å; H137-G144 PolarHBondContact ND1-O 3.42Å; S138-G144 CarbonylContact O-C 3.18Å; G144-G148 VanDerWaalsContact O-CA 3.29Å; G144-G148 WeakPolarHBondContact O-CA 3.31Å; G144-G148 PolarHBondContact O-N 3.17Å
145	S	94.1	Very high	94.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-80.1	-66	-178.9	63.3	0	0	0	0	111.1	S138 L139 G141 G142 T143 T149 S188	S138-S145 WeakPolarHBondContact O-CA 3.37Å; S138-S145 WeakPolarHBondContact O-CB 3.47Å; S138-S145 PolarHBondContact O-N 2.93Å; S138-S145 VanDerWaalsContact O-N 3.13Å; L139-S145 WeakPolarHBondContact O-CB 3.39Å; G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-OG 3.32Å; G142-S145 PolarHBondContact O-OG 3.06Å; T143-S145 PolarHBondContact O-N 3.37Å; S145-T149 WeakPolarHBondContact O-CB 3.33Å; S145-T149 VanDerWaalsContact O-CG2 3.28Å; S145-T149 WeakPolarHBondContact O-CG2 3.37Å; S145-T149 PolarHBondContact O-N 3.47Å; S145-T149 PolarHBondContact O-OG1 2.98Å; S145-S188 VanDerWaalsContact CB-OG 3.29Å; S145-S188 WeakPolarHBondContact CB-OG 3.29Å
146	G	94.4	Very high	94.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-69.2	-51.3	-173.4	0	0	0	0	0	113.6	W101 G104 H105 G142 G148 T149 L150	W101-G146 VanDerWaalsContact CD1-CA 3.41Å; W101-G146 VanDerWaalsContact CD1-N 3.3Å; G104-G146 CarbonylContact O-C 3.59Å; H105-G146 PolarHBondContact ND1-O 3.33Å; G142-G146 PolarHBondContact O-N 3.05Å; G146-G148 VanDerWaalsContact C-N 3.35Å; G146-T149 PolarHBondContact O-OG1 3.48Å; G146-T149 VanDerWaalsContact O-OG1 3.04Å; G146-L150 WeakPolarHBondContact O-CB 3.49Å; G146-L150 PolarHBondContact O-N 2.97Å; G146-L150 VanDerWaalsContact O-N 3.1Å
147	M	95.1	Very high	94.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-71.4	-34.7	177.6	-169	-171.8	177.8	0	0	110.8	V66 L68 G104 L112 V116 T143 L150 L151	V66-M147 HydrophobicContact CG1-CE 3.49Å; V66-M147 VanDerWaalsContact CG1-CE 3.49Å; V66-M147 HydrophobicContact CG1-SD 3.69Å; L68-M147 HydrophobicContact CD1-SD 4.46Å; L68-M147 HydrophobicContact CD2-SD 4.16Å; L68-M147 HydrophobicContact CG-SD 4.06Å; G104-M147 WeakPolarHBondContact O-CA 3.27Å; G104-M147 WeakPolarHBondContact O-CB 3.42Å; G104-M147 PolarHBondContact O-N 3.47Å; L112-M147 HydrophobicContact CB-CE 3.77Å; L112-M147 HydrophobicContact CD2-CE 3.86Å; L112-M147 HydrophobicContact CD2-SD 4.31Å; L112-M147 HydrophobicContact CG-CE 3.84Å; V116-M147 HydrophobicContact CG2-CE 3.74Å; T143-M147 HydrophobicContact CG2-CB 4.39Å; T143-M147 HydrophobicContact CG2-SD 4.29Å; T143-M147 WeakPolarHBondContact O-CA 3.3Å; T143-M147 WeakPolarHBondContact O-CB 3.49Å; T143-M147 PolarHBondContact O-N 3.27Å; M147-L150 PolarHBondContact O-N 3.18Å; M147-L151 HydrophobicContact CE-CD1 4.38Å; M147-L151 HydrophobicContact CG-CD1 4.37Å; M147-L151 WeakPolarHBondContact O-CB 3.25Å; M147-L151 WeakPolarHBondContact O-CG 3.34Å; M147-L151 PolarHBondContact O-N 3.11Å
148	G	94.8	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-46.3	175.5	0	0	0	0	0	112.5	T143 G144 G146 L151 I152	T143-G148 PolarHBondContact O-N 3.25Å; G144-G148 VanDerWaalsContact O-CA 3.29Å; G144-G148 WeakPolarHBondContact O-CA 3.31Å; G144-G148 PolarHBondContact O-N 3.17Å; G146-G148 VanDerWaalsContact C-N 3.35Å; G148-L151 WeakPolarHBondContact O-CB 3.38Å; G148-L151 PolarHBondContact O-N 3.35Å; G148-I152 VanDerWaalsContact O-CG1 3.3Å; G148-I152 WeakPolarHBondContact O-CG1 3.44Å; G148-I152 PolarHBondContact O-N 3.21Å
149	T	95.3	Very high	94.1	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-69.6	-35.1	177.1	55.3	0	0	0	0	112.9	H105 S145 G146 L151 I152 S153 Q191	H105-T149 PolarHBondContact ND1-OG1 3.47Å; S145-T149 WeakPolarHBondContact O-CB 3.33Å; S145-T149 VanDerWaalsContact O-CG2 3.28Å; S145-T149 WeakPolarHBondContact O-CG2 3.37Å; S145-T149 PolarHBondContact O-N 3.47Å; S145-T149 PolarHBondContact O-OG1 2.98Å; G146-T149 PolarHBondContact O-OG1 3.48Å; G146-T149 VanDerWaalsContact O-OG1 3.04Å; T149-L151 VanDerWaalsContact C-N 3.35Å; T149-I152 PolarHBondContact O-N 2.96Å; T149-S153 PolarHBondContact O-N 3.44Å; T149-Q191 HydrophobicContact CG2-CB 3.78Å; T149-Q191 HydrophobicContact CG2-CG 4.42Å
150	L	95.7	Very high	94.1	Very high	21 Å²	21	25.3 Å²	25.3	11%	0.11	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-46.2	171.8	-178.1	67.3	0	0	0	111.2	H105 A110 V113 G146 M147 I152 S153 K154	H105-L150 WeakPolarHBondContact O-CD2 3.33Å; A110-L150 HydrophobicContact CB-CD2 4.18Å; V113-L150 HydrophobicContact CB-CD2 3.97Å; V113-L150 HydrophobicContact CG1-CD2 4.15Å; V113-L150 HydrophobicContact CG2-CD2 4.03Å; V113-L150 HydrophobicContact CG2-CG 4.17Å; G146-L150 WeakPolarHBondContact O-CB 3.49Å; G146-L150 PolarHBondContact O-N 2.97Å; G146-L150 VanDerWaalsContact O-N 3.1Å; M147-L150 PolarHBondContact O-N 3.18Å; L150-I152 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.45Å; L150-S153 PolarHBondContact O-N 3.27Å; L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 3.17Å
151	L	95.6	Very high	94.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-43.8	176.4	-79.1	168.2	0	0	0	111.7	V66 V113 V116 M147 G148 T149 S153 K154 I155	V66-L151 HydrophobicContact CG1-CD1 4.49Å; V113-L151 HydrophobicContact CG2-CD2 3.51Å; V113-L151 HydrophobicContact CG2-CG 4.04Å; V116-L151 HydrophobicContact CB-CD2 3.83Å; V116-L151 HydrophobicContact CG1-CD1 4.17Å; V116-L151 HydrophobicContact CG1-CD2 3.56Å; M147-L151 HydrophobicContact CE-CD1 4.38Å; M147-L151 HydrophobicContact CG-CD1 4.37Å; M147-L151 WeakPolarHBondContact O-CB 3.25Å; M147-L151 WeakPolarHBondContact O-CG 3.34Å; M147-L151 PolarHBondContact O-N 3.11Å; G148-L151 WeakPolarHBondContact O-CB 3.38Å; G148-L151 PolarHBondContact O-N 3.35Å; T149-L151 VanDerWaalsContact C-N 3.35Å; L151-S153 PolarHBondContact O-N 2.97Å; L151-K154 PolarHBondContact O-N 3.05Å; L151-I155 WeakPolarHBondContact O-CB 3.39Å; L151-I155 WeakPolarHBondContact O-CG1 3.43Å; L151-I155 PolarHBondContact O-N 2.84Å
152	I	96.1	Very high	94.2	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-50.2	176.3	-70.2	168	0	0	0	110.4	L135 G148 T149 L150 K154 I155 R156 M164 T166 L192 N195 T196	L135-I152 HydrophobicContact CD2-CD1 3.67Å; L135-I152 HydrophobicContact CD2-CG1 3.69Å; G148-I152 VanDerWaalsContact O-CG1 3.3Å; G148-I152 WeakPolarHBondContact O-CG1 3.44Å; G148-I152 PolarHBondContact O-N 3.21Å; T149-I152 PolarHBondContact O-N 2.96Å; L150-I152 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.45Å; I152-K154 PolarHBondContact O-N 3.11Å; I152-I155 PolarHBondContact O-N 2.95Å; I152-R156 WeakPolarHBondContact O-CB 3.36Å; I152-R156 PolarHBondContact O-N 2.95Å; I152-M164 HydrophobicContact CG1-SD 4.29Å; I152-M164 HydrophobicContact CG2-CG 4.03Å; I152-T166 HydrophobicContact CD1-CG2 3.73Å; I152-T166 HydrophobicContact CG1-CG2 4.49Å; I152-L192 HydrophobicContact CD1-CD2 3.53Å; I152-N195 HydrophobicContact CG2-CB 3.5Å; I152-T196 HydrophobicContact CD1-CG2 3.97Å; I152-T196 HydrophobicContact CG2-CG2 3.83Å
153	S	95.1	Very high	94.3	Very high	25 Å²	25	35.4 Å²	35.4	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-47.2	-179.4	175.9	0	0	0	0	111.3	T149 L150 L151 I155 R156 E157	T149-S153 PolarHBondContact O-N 3.44Å; L150-S153 PolarHBondContact O-N 3.27Å; L151-S153 PolarHBondContact O-N 2.97Å; S153-I155 PolarHBondContact O-N 3.25Å; S153-R156 WeakPolarHBondContact O-CB 3.11Å; S153-R156 PolarHBondContact O-N 3.38Å; S153-R156 VanDerWaalsContact O-N 3.15Å; S153-E157 WeakPolarHBondContact O-CG 3.29Å; S153-E157 PolarHBondContact O-N 2.87Å
154	K	95.4	Very high	94.4	Very high	69 Å²	69	35 Å²	35	30%	0.3	17%	0.169	S	C	.	.	H	α-helix	trans	-65.3	-39.2	178.4	-68.7	-69.2	162	-149.1	0	113.5	V113 L117 L150 L151 I152 R156 E157 E158	V113-K154 HydrophobicContact CG2-CG 4.49Å; L117-K154 HydrophobicContact CD1-CB 3.84Å; L117-K154 HydrophobicContact CD1-CG 4.24Å; L117-K154 HydrophobicContact CD2-CB 4.06Å; L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 3.17Å; L151-K154 PolarHBondContact O-N 3.05Å; I152-K154 PolarHBondContact O-N 3.11Å; K154-R156 VanDerWaalsContact C-N 3.31Å; K154-E157 IonicContact NZ-OE1 3.14Å; K154-E157 PolarHBondContact NZ-OE1 2.98Å; K154-E157 IonicContact NZ-OE2 3.32Å; K154-E157 PolarHBondContact NZ-OE2 3.47Å; K154-E157 PolarHBondContact O-N 3.45Å; K154-E158 PolarHBondContact O-N 3.01Å; K154-E158 VanDerWaalsContact O-N 3.1Å
155	I	95.3	Very high	94.5	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-36.3	174.6	-68.3	168.5	0	0	0	110.5	L7 L117 V120 F133 L151 I152 S153 E158 Y159 M164	L7-I155 HydrophobicContact CD1-CD1 4.31Å; L7-I155 HydrophobicContact CD2-CD1 3.79Å; L117-I155 HydrophobicContact CD2-CG1 4.01Å; V120-I155 HydrophobicContact CG1-CD1 4.45Å; V120-I155 HydrophobicContact CG1-CG1 4.46Å; F133-I155 HydrophobicContact CD1-CG2 4.3Å; F133-I155 HydrophobicContact CD2-CG2 3.3Å; F133-I155 HydrophobicContact CE1-CG2 4.31Å; F133-I155 HydrophobicContact CE2-CG2 3.28Å; F133-I155 HydrophobicContact CG-CG2 3.82Å; F133-I155 HydrophobicContact CZ-CG2 3.81Å; L151-I155 WeakPolarHBondContact O-CB 3.39Å; L151-I155 WeakPolarHBondContact O-CG1 3.43Å; L151-I155 PolarHBondContact O-N 2.84Å; I152-I155 PolarHBondContact O-N 2.95Å; S153-I155 PolarHBondContact O-N 3.25Å; I155-E158 PolarHBondContact O-N 3.14Å; I155-Y159 HydrophobicContact CG2-CD2 4.11Å; I155-Y159 WeakPolarHBondContact O-CA 3.48Å; I155-Y159 WeakPolarHBondContact O-CB 3.32Å; I155-Y159 PolarHBondContact O-N 3.06Å; I155-M164 HydrophobicContact CB-CE 3.74Å; I155-M164 HydrophobicContact CD1-CE 4.24Å; I155-M164 HydrophobicContact CG2-CE 3.35Å
156	R	93.6	Very high	94.6	Very high	64 Å²	64	35.2 Å²	35.2	24%	0.242	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-36	176.9	-169.1	59.6	167.6	-157.1	-13.3	112.2	I152 S153 K154 P160 R162 D197	I152-R156 WeakPolarHBondContact O-CB 3.36Å; I152-R156 PolarHBondContact O-N 2.95Å; S153-R156 WeakPolarHBondContact O-CB 3.11Å; S153-R156 PolarHBondContact O-N 3.38Å; S153-R156 VanDerWaalsContact O-N 3.15Å; K154-R156 VanDerWaalsContact C-N 3.31Å; R156-P160 WeakPolarHBondContact O-CA 3.43Å; R156-R162 PolarHBondContact NH1-O 3.26Å; R156-D197 IonicContact CZ-OD1 2.83Å; R156-D197 IonicContact CZ-OD2 2.73Å; R156-D197 IonicContact NH1-OD1 3.34Å; R156-D197 PolarHBondContact NH1-OD1 3.2Å; R156-D197 IonicContact NH1-OD2 2.81Å; R156-D197 PolarHBondContact NH1-OD2 3.02Å; R156-D197 IonicContact NH2-OD1 3.25Å; R156-D197 PolarHBondContact NH2-OD1 3Å; R156-D197 IonicContact NH2-OD2 3.94Å
157	E	94.3	Very high	94.7	Very high	123 Å²	123	35.4 Å²	35.4	58%	0.575	17%	0.171	S	C	*	.	H	α-helix	trans	-62.6	-44.3	172	-72.7	174.6	-172.6	0	0	111.8	S153 K154	S153-E157 WeakPolarHBondContact O-CG 3.29Å; S153-E157 PolarHBondContact O-N 2.87Å; K154-E157 IonicContact NZ-OE1 3.14Å; K154-E157 PolarHBondContact NZ-OE1 2.98Å; K154-E157 IonicContact NZ-OE2 3.32Å; K154-E157 PolarHBondContact NZ-OE2 3.47Å; K154-E157 PolarHBondContact O-N 3.45Å
158	E	94.8	Very high	94.7	Very high	69 Å²	69	35.4 Å²	35.4	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-82.9	-32.9	-175.7	-167.3	174.8	153.4	0	0	113.4	R121 K154 I155 P160	R121-E158 WeakPolarHBondContact CD-OE1 3.33Å; R121-E158 WeakPolarHBondContact CG-OE1 3.31Å; R121-E158 IonicContact CZ-OE1 3.25Å; R121-E158 IonicContact CZ-OE2 3.57Å; R121-E158 VanDerWaalsContact CZ-OE2 3.3Å; R121-E158 VanDerWaalsContact NE-CD 3.33Å; R121-E158 IonicContact NE-OE1 3.89Å; R121-E158 PolarHBondContact NE-OE1 3.38Å; R121-E158 IonicContact NE-OE2 2.91Å; R121-E158 PolarHBondContact NE-OE2 3.49Å; R121-E158 IonicContact NH2-OE1 3.91Å; R121-E158 IonicContact NH2-OE2 3.05Å; R121-E158 PolarHBondContact NH2-OE2 2.71Å; K154-E158 PolarHBondContact O-N 3.01Å; K154-E158 VanDerWaalsContact O-N 3.1Å; I155-E158 PolarHBondContact O-N 3.14Å; E158-P160 VanDerWaalsContact C-CD 3.44Å; E158-P160 WeakPolarHBondContact O-CD 3.47Å
159	Y	94.6	Very high	94.7	Very high	46 Å²	46	35.5 Å²	35.5	18%	0.18	17%	0.171	C	C	.	.			trans	-127.1	61.6	-176.4	-57.7	-84.8	0	0	0	112.2	A124 F133 I155 D161 R162	A124-Y159 HydrophobicContact CB-CE1 4.11Å; F133-Y159 AromaticContact CE2-CD2 3.92Å; F133-Y159 HydrophobicContact CE2-CD2 3.92Å; F133-Y159 AromaticContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CZ-CD1 4.38Å; F133-Y159 AromaticContact CZ-CD2 3.73Å; F133-Y159 HydrophobicContact CZ-CD2 3.73Å; F133-Y159 HydrophobicContact CZ-CE2 4.1Å; F133-Y159 AromaticContact CZ-CG 3.9Å; F133-Y159 HydrophobicContact CZ-CG 3.9Å; I155-Y159 HydrophobicContact CG2-CD2 4.11Å; I155-Y159 WeakPolarHBondContact O-CA 3.48Å; I155-Y159 WeakPolarHBondContact O-CB 3.32Å; I155-Y159 PolarHBondContact O-N 3.06Å; Y159-D161 VanDerWaalsContact C-N 3.27Å; Y159-D161 PolarHBondContact O-N 3.4Å; Y159-R162 HydrophobicContact CD1-CG 4.4Å; Y159-R162 PolarHBondContact O-N 3.45Å; Y159-R162 VanDerWaalsContact O-N 3.16Å
160	P	92.9	Very high	94.5	Very high	75 Å²	75	35.5 Å²	35.5	49%	0.487	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.6	-175	25.7	-35.5	0	0	0	113.7	R156 E158 R162	R156-P160 WeakPolarHBondContact O-CA 3.43Å; E158-P160 VanDerWaalsContact C-CD 3.44Å; E158-P160 WeakPolarHBondContact O-CD 3.47Å; P160-R162 VanDerWaalsContact C-N 3.28Å; P160-R162 PolarHBondContact O-N 3.05Å
161	D	90.7	Very high	94	Very high	130 Å²	130	35.1 Å²	35.1	70%	0.695	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	1.7	-178.9	-64.8	-39.5	0	0	0	113.8	Y159 R251	Y159-D161 VanDerWaalsContact C-N 3.27Å; Y159-D161 PolarHBondContact O-N 3.4Å; D161-R251 PolarHBondContact O-NH2 3.08Å
162	R	93.1	Very high	93.3	Very high	94 Å²	94	35 Å²	35	36%	0.355	17%	0.169	S	C	.	.	S	Bend	trans	-105	145.2	-176.9	-56.3	-58.9	178	-174.7	-7.9	110.6	L130 F133 R156 Y159 P160	L130-R162 HydrophobicContact CD2-CG 4.26Å; L130-R162 WeakPolarHBondContact O-CD 3.2Å; L130-R162 PolarHBondContact O-NH1 2.91Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.21Å; R156-R162 PolarHBondContact NH1-O 3.26Å; Y159-R162 HydrophobicContact CD1-CG 4.4Å; Y159-R162 PolarHBondContact O-N 3.45Å; Y159-R162 VanDerWaalsContact O-N 3.16Å; P160-R162 VanDerWaalsContact C-N 3.28Å; P160-R162 PolarHBondContact O-N 3.05Å
163	I	92.9	Very high	92.3	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.8	-179.5	-65.9	-65.4	0	0	0	109.7	Q131 G132 F133 N165 D197 L250 R251 A254	Q131-I163 PolarHBondContact O-N 3.49Å; G132-I163 CarbonylContact C-O 3.59Å; G132-I163 WeakPolarHBondContact CA-O 3.31Å; F133-I163 PolarHBondContact N-O 3.38Å; I163-N165 WeakPolarHBondContact CG2-OD1 3.36Å; I163-D197 VanDerWaalsContact CA-OD2 3.31Å; I163-D197 WeakPolarHBondContact CA-OD2 3.47Å; I163-D197 HydrophobicContact CD1-CB 4.29Å; I163-D197 HydrophobicContact CG2-CB 4.28Å; I163-L250 HydrophobicContact CB-CB 4.33Å; I163-L250 HydrophobicContact CG1-CB 4.46Å; I163-L250 HydrophobicContact CG2-CB 4.08Å; I163-L250 HydrophobicContact CG2-CD1 4.45Å; I163-R251 HydrophobicContact CD1-CB 4.31Å; I163-R251 HydrophobicContact CD1-CG 4.45Å; I163-R251 HydrophobicContact CG1-CB 4.11Å; I163-A254 HydrophobicContact CD1-CB 4.45Å
164	M	95.2	Very high	91.3	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.02	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.2	174.4	179.7	59.6	69.4	0	0	110.5	F133 I152 I155 T196 D197 E198	F133-M164 HydrophobicContact CB-CE 3.76Å; F133-M164 HydrophobicContact CB-SD 3.89Å; F133-M164 HydrophobicContact CD2-CE 4.08Å; F133-M164 HydrophobicContact CG-CE 4.17Å; I152-M164 HydrophobicContact CG1-SD 4.29Å; I152-M164 HydrophobicContact CG2-CG 4.03Å; I155-M164 HydrophobicContact CB-CE 3.74Å; I155-M164 HydrophobicContact CD1-CE 4.24Å; I155-M164 HydrophobicContact CG2-CE 3.35Å; M164-T196 HydrophobicContact CG-CG2 4.01Å; M164-D197 PolarHBondContact N-OD2 3.09Å; M164-D197 PolarHBondContact O-N 3.46Å; M164-E198 PolarHBondContact O-N 3.38Å
165	N	94.5	Very high	90.2	Very high	5 Å²	5	40 Å²	40	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.2	178.9	-77.5	16.6	0	0	0	111	F133 Q134 L135 I163 E198 L250	F133-N165 PolarHBondContact O-N 2.82Å; Q134-N165 CarbonylContact C-O 3.54Å; Q134-N165 VanDerWaalsContact CA-O 3.32Å; Q134-N165 WeakPolarHBondContact CA-O 3.18Å; L135-N165 PolarHBondContact N-O 3.47Å; I163-N165 WeakPolarHBondContact CG2-OD1 3.36Å; N165-E198 CarbonylContact C-O 3.59Å; N165-E198 WeakPolarHBondContact CA-O 3.48Å; N165-E198 PolarHBondContact ND2-OE2 2.82Å; N165-E198 WeakPolarHBondContact OD1-CB 3.5Å; N165-L250 WeakPolarHBondContact ND2-CD2 3.44Å
166	T	96.5	Very high	89.1	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141	175.9	79.3	0	0	0	0	112.6	L135 I152 S168 L192 T196 E198 T199 Y200	L135-T166 HydrophobicContact CB-CG2 4.28Å; L135-T166 CarbonylContact O-C 3.49Å; L135-T166 WeakPolarHBondContact O-CA 3.11Å; I152-T166 HydrophobicContact CD1-CG2 3.73Å; I152-T166 HydrophobicContact CG1-CG2 4.49Å; T166-S168 PolarHBondContact OG1-OG 3.04Å; T166-L192 HydrophobicContact CG2-CD2 4.08Å; T166-T196 HydrophobicContact CG2-CG2 3.59Å; T166-E198 PolarHBondContact N-O 2.89Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.36Å; T166-T199 PolarHBondContact OG1-OG1 3.3Å; T166-Y200 WeakPolarHBondContact O-CD2 3.47Å; T166-Y200 PolarHBondContact O-N 3.24Å
167	F	96.5	Very high	88	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.022	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	99.3	165.5	-71.6	-87.4	0	0	0	106.8	Q134 L135 T136 H137 Y200 I202 M233 V236	Q134-F167 HydrophobicContact CG-CD2 3.8Å; Q134-F167 HydrophobicContact CG-CE2 3.67Å; L135-F167 PolarHBondContact O-N 2.8Å; T136-F167 HydrophobicContact CG2-CB 3.92Å; T136-F167 HydrophobicContact CG2-CD2 4.4Å; T136-F167 HydrophobicContact CG2-CG 4.45Å; H137-F167 PolarHBondContact N-O 3.37Å; F167-Y200 HydrophobicContact CD1-CD2 4.09Å; F167-Y200 AromaticContact CD1-CG 3.97Å; F167-Y200 HydrophobicContact CD1-CG 3.97Å; F167-Y200 HydrophobicContact CE1-CD1 4.24Å; F167-Y200 AromaticContact CE1-CD2 3.7Å; F167-Y200 HydrophobicContact CE1-CD2 3.7Å; F167-Y200 HydrophobicContact CE1-CE2 4.39Å; F167-Y200 AromaticContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE2-CD2 4.14Å; F167-Y200 AromaticContact CZ-CD2 3.74Å; F167-Y200 HydrophobicContact CZ-CD2 3.74Å; F167-Y200 HydrophobicContact CZ-CE2 4.07Å; F167-Y200 HydrophobicContact CZ-CG 4.15Å; F167-I202 HydrophobicContact CB-CD1 4.16Å; F167-I202 HydrophobicContact CD1-CD1 4.04Å; F167-M233 HydrophobicContact CD1-CG 3.63Å; F167-M233 HydrophobicContact CD1-SD 4.47Å; F167-M233 HydrophobicContact CD2-CE 4.09Å; F167-M233 HydrophobicContact CE1-CB 4.37Å; F167-M233 HydrophobicContact CE1-CG 3.69Å; F167-M233 HydrophobicContact CE2-CE 4.46Å; F167-M233 HydrophobicContact CG-CE 4.18Å; F167-M233 HydrophobicContact CG-CG 4.1Å; F167-M233 HydrophobicContact CG-SD 4.42Å; F167-M233 HydrophobicContact CZ-CG 4.23Å; F167-V236 HydrophobicContact CZ-CB 4.45Å; F167-V236 HydrophobicContact CZ-CG1 4.21Å
168	S	95.8	Very high	87.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112	-168	-69.5	0	0	0	0	110.3	H137 T166 V170 Y200 I202	H137-S168 PolarHBondContact CD2-OG 2.85Å; H137-S168 PolarHBondContact NE2-OG 3.17Å; T166-S168 PolarHBondContact OG1-OG 3.04Å; S168-V170 PolarHBondContact O-N 3.27Å; S168-Y200 PolarHBondContact N-O 3.09Å; S168-I202 PolarHBondContact O-N 2.93Å
169	V	94.1	Very high	87.1	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.7	175.5	-175.3	0	0	0	0	110.1	I16 H137 L139 I202 N204	I16-V169 HydrophobicContact CD1-CG2 3.38Å; H137-V169 PolarHBondContact O-N 3.1Å; L139-V169 PolarHBondContact N-O 2.95Å; V169-I202 CarbonylContact C-O 3.22Å; V169-I202 VanDerWaalsContact CA-O 3.26Å; V169-I202 WeakPolarHBondContact CA-O 3.35Å; V169-I202 HydrophobicContact CG2-CB 4.32Å; V169-I202 HydrophobicContact CG2-CG2 4.28Å; V169-N204 WeakPolarHBondContact CG1-ND2 3.32Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.41Å
170	V	90.9	Very high	87	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.4	178.9	-177.4	0	0	0	0	109	L139 S168 I202 N204 L377 I381	L139-V170 HydrophobicContact CD1-CG2 4.23Å; S168-V170 PolarHBondContact O-N 3.27Å; V170-I202 PolarHBondContact N-O 3.19Å; V170-N204 PolarHBondContact O-N 2.92Å; V170-L377 HydrophobicContact CB-CD1 4.32Å; V170-L377 HydrophobicContact CG1-CD1 4.17Å; V170-L377 HydrophobicContact CG1-CD2 4.01Å; V170-L377 HydrophobicContact CG1-CG 4.14Å; V170-L377 HydrophobicContact CG2-CD1 4.06Å; V170-L377 HydrophobicContact CG2-CD2 4.06Å; V170-I381 HydrophobicContact CG1-CD1 3.6Å; V170-I381 HydrophobicContact CG1-CG1 4.34Å
171	P	86.8	Confident	87	Confident	12 Å²	12	38.2 Å²	38.2	8%	0.078	20%	0.204	C	C	.	.			trans	-65.5	154.7	178.7	25.5	-33.3	0	0	0	112.6	E181 A185	P171-E181 HydrophobicContact CB-CB 3.7Å; P171-E181 HydrophobicContact CB-CG 4.19Å; P171-E181 WeakPolarHBondContact CB-OE2 3.41Å; P171-E181 HydrophobicContact CG-CB 4.01Å; P171-A185 HydrophobicContact CG-CB 3.87Å
172	S	81.3	Confident	87.1	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.174	C	C	.	.			trans	-143.1	134.7	172.9	178.2	0	0	0	0	110.9	K174 V175 S176 E205	S172-K174 PolarHBondContact O-N 2.85Å; S172-K174 VanDerWaalsContact O-N 3.08Å; S172-K174 PolarHBondContact OG-N 2.91Å; S172-V175 PolarHBondContact O-N 2.84Å; S172-S176 PolarHBondContact O-N 2.87Å; S172-S176 VanDerWaalsContact O-N 3.12Å; S172-E205 VanDerWaalsContact OG-CB 3.32Å; S172-E205 WeakPolarHBondContact OG-CB 3.4Å
173	P	74.7	Confident	87.2	Confident	76 Å²	76	28 Å²	28	49%	0.494	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.1	174.7	-20.9	31	0	0	0	114.4	V175	P173-V175 VanDerWaalsContact C-N 3.3Å
174	K	74.3	Confident	87.3	Confident	95 Å²	95	27.8 Å²	27.8	41%	0.413	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.5	176.8	-64.7	-169.9	-163.9	154.4	0	112.8	S172 E205 D209	S172-K174 PolarHBondContact O-N 2.85Å; S172-K174 VanDerWaalsContact O-N 3.08Å; S172-K174 PolarHBondContact OG-N 2.91Å; K174-E205 HydrophobicContact CD-CG 3.92Å; K174-E205 WeakPolarHBondContact CE-OE1 3.4Å; K174-E205 VanDerWaalsContact NZ-CG 3.29Å; K174-E205 IonicContact NZ-OE1 3.86Å; K174-E205 PolarHBondContact NZ-OE1 3.5Å; K174-D209 IonicContact NZ-OD1 3.93Å; K174-D209 IonicContact NZ-OD2 2.72Å; K174-D209 PolarHBondContact NZ-OD2 3.07Å
175	V	71.9	Confident	87.3	Confident	31 Å²	31	27.6 Å²	27.6	19%	0.188	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-28.7	-169.8	179.3	0	0	0	0	111.8	S172 P173 N204 Y208 Y222	S172-V175 PolarHBondContact O-N 2.84Å; P173-V175 VanDerWaalsContact C-N 3.3Å; V175-N204 HydrophobicContact CB-CB 4.11Å; V175-N204 HydrophobicContact CG1-CB 4.28Å; V175-N204 HydrophobicContact CG2-CB 3.96Å; V175-Y208 HydrophobicContact CG2-CD2 4.23Å; V175-Y208 HydrophobicContact CG2-CG 4.4Å; V175-Y222 HydrophobicContact CG1-CE1 3.75Å; V175-Y222 WeakPolarHBondContact CG1-OH 3.3Å; V175-Y222 PolarHBondContact O-OH 2.81Å
176	S	72.1	Confident	87.3	Confident	24 Å²	24	27.4 Å²	27.4	17%	0.168	15%	0.154	C	C	.	.			trans	-129	139.6	179.5	-175.6	0	0	0	0	112.2	S172 T178 E181	S172-S176 PolarHBondContact O-N 2.87Å; S172-S176 VanDerWaalsContact O-N 3.12Å; S176-T178 VanDerWaalsContact C-N 3.33Å; S176-T178 PolarHBondContact OG-N 2.83Å; S176-T178 PolarHBondContact OG-OG1 2.82Å; S176-E181 WeakPolarHBondContact CB-OE1 3.21Å; S176-E181 WeakPolarHBondContact CB-OE2 3.46Å; S176-E181 PolarHBondContact OG-OE1 3.36Å
177	D	71	Confident	87.3	Confident	163 Å²	163	27.6 Å²	27.6	87%	0.872	16%	0.155	S	C	*	.			trans	-88.8	1.3	176.3	-65.9	-43.4	0	0	0	112.7	V179	D177-V179 PolarHBondContact O-N 2.82Å
178	T	83.5	Confident	87.3	Confident	44 Å²	44	27.4 Å²	27.4	27%	0.27	15%	0.154	S	C	.	.			trans	-76.3	115	-176	-58.7	0	0	0	0	110.8	N99 S176 V180 E181	N99-T178 HydrophobicContact CB-CG2 4.05Å; S176-T178 VanDerWaalsContact C-N 3.33Å; S176-T178 PolarHBondContact OG-N 2.83Å; S176-T178 PolarHBondContact OG-OG1 2.82Å; T178-V180 VanDerWaalsContact C-N 3.32Å; T178-V180 HydrophobicContact CG2-CG2 3.65Å; T178-V180 PolarHBondContact O-N 2.83Å; T178-E181 HydrophobicContact CG2-CG 3.95Å; T178-E181 WeakPolarHBondContact O-CG 3.2Å
179	V	86.6	Confident	87.2	Confident	83 Å²	83	27.5 Å²	27.5	50%	0.503	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.1	-174.5	-61.5	0	0	0	0	114.7	D177 P182 M388 F394	D177-V179 PolarHBondContact O-N 2.82Å; V179-P182 WeakPolarHBondContact O-CD 3.47Å; V179-M388 HydrophobicContact CB-CE 4.33Å; V179-M388 HydrophobicContact CG2-CE 4.43Å; V179-M388 VanDerWaalsContact O-CE 3.25Å; V179-M388 WeakPolarHBondContact O-CE 3.06Å; V179-F394 HydrophobicContact CG2-CD2 4.05Å; V179-F394 HydrophobicContact CG2-CE2 3.52Å; V179-F394 HydrophobicContact CG2-CZ 3.95Å
180	V	92.4	Very high	87.3	Confident	3 Å²	3	29 Å²	29	2%	0.018	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.8	-176.4	-62.2	0	0	0	0	114	N99 T178 P182 Y183 N184 F394 W397	N99-V180 HydrophobicContact CB-CG2 4.29Å; N99-V180 WeakPolarHBondContact O-CG2 3.23Å; T178-V180 VanDerWaalsContact C-N 3.32Å; T178-V180 HydrophobicContact CG2-CG2 3.65Å; T178-V180 PolarHBondContact O-N 2.83Å; V180-P182 VanDerWaalsContact C-N 3.32Å; V180-Y183 HydrophobicContact CB-CD2 4.45Å; V180-Y183 WeakPolarHBondContact O-CB 3.47Å; V180-Y183 PolarHBondContact O-N 3.4Å; V180-N184 PolarHBondContact O-N 3.38Å; V180-F394 HydrophobicContact CG1-CB 3.79Å; V180-F394 HydrophobicContact CG1-CD2 4.13Å; V180-F394 HydrophobicContact CG1-CG 3.92Å; V180-W397 HydrophobicContact CG1-CZ3 4.47Å
181	E	91.9	Very high	87.5	Confident	24 Å²	24	30.6 Å²	30.6	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-54.9	-37	179.7	-65	-176.9	160.8	0	0	114.5	P171 S176 T178 Y183 N184 A185	P171-E181 HydrophobicContact CB-CB 3.7Å; P171-E181 HydrophobicContact CB-CG 4.19Å; P171-E181 WeakPolarHBondContact CB-OE2 3.41Å; P171-E181 HydrophobicContact CG-CB 4.01Å; S176-E181 WeakPolarHBondContact CB-OE1 3.21Å; S176-E181 WeakPolarHBondContact CB-OE2 3.46Å; S176-E181 PolarHBondContact OG-OE1 3.36Å; T178-E181 HydrophobicContact CG2-CG 3.95Å; T178-E181 WeakPolarHBondContact O-CG 3.2Å; E181-Y183 VanDerWaalsContact C-N 3.3Å; E181-Y183 PolarHBondContact O-N 2.78Å; E181-N184 PolarHBondContact O-N 2.82Å; E181-A185 WeakPolarHBondContact O-CB 3.31Å; E181-A185 PolarHBondContact O-N 2.94Å
182	P	93.7	Very high	87.9	Confident	11 Å²	11	30 Å²	30	7%	0.071	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-35.7	176.4	-24.8	35.7	0	0	0	113.1	V179 V180 T186 Q384 F385	V179-P182 WeakPolarHBondContact O-CD 3.47Å; V180-P182 VanDerWaalsContact C-N 3.32Å; P182-T186 WeakPolarHBondContact O-CB 3.1Å; P182-T186 PolarHBondContact O-N 3.33Å; P182-T186 PolarHBondContact O-OG1 3.17Å; P182-Q384 HydrophobicContact CB-CB 3.91Å; P182-Q384 HydrophobicContact CG-CB 3.7Å; P182-F385 HydrophobicContact CB-CB 4.29Å
183	Y	95.1	Very high	88.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-51.5	174.8	-71.5	-54.8	0	0	0	111.2	V180 E181 A185 T186 L187 F385 M388 F389 A393 Y398 F408	V180-Y183 HydrophobicContact CB-CD2 4.45Å; V180-Y183 WeakPolarHBondContact O-CB 3.47Å; V180-Y183 PolarHBondContact O-N 3.4Å; E181-Y183 VanDerWaalsContact C-N 3.3Å; E181-Y183 PolarHBondContact O-N 2.78Å; Y183-A185 VanDerWaalsContact C-N 3.26Å; Y183-A185 PolarHBondContact O-N 2.84Å; Y183-T186 PolarHBondContact O-N 2.82Å; Y183-L187 VanDerWaalsContact O-CG 3.3Å; Y183-L187 WeakPolarHBondContact O-CG 3.29Å; Y183-L187 PolarHBondContact O-N 2.87Å; Y183-F385 AromaticContact CD1-CD2 3.59Å; Y183-F385 HydrophobicContact CD1-CD2 3.59Å; Y183-F385 AromaticContact CD1-CE2 3.42Å; Y183-F385 HydrophobicContact CD1-CE2 3.42Å; Y183-F385 VanDerWaalsContact CD1-CE2 3.42Å; Y183-F385 HydrophobicContact CD1-CZ 4.2Å; Y183-F385 HydrophobicContact CE1-CD2 4.17Å; Y183-F385 AromaticContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CZ 4.37Å; Y183-F385 HydrophobicContact CG-CD2 4.48Å; Y183-M388 HydrophobicContact CE1-CB 4.36Å; Y183-M388 HydrophobicContact CE2-CB 3.99Å; Y183-M388 HydrophobicContact CE2-CE 3.97Å; Y183-M388 PolarHBondContact OH-O 3.41Å; Y183-F389 HydrophobicContact CE1-CB 3.98Å; Y183-F389 HydrophobicContact CE1-CD2 4.07Å; Y183-F389 HydrophobicContact CE1-CG 4.46Å; Y183-F389 VanDerWaalsContact OH-CA 3.31Å; Y183-F389 WeakPolarHBondContact OH-CA 3.22Å; Y183-F389 PolarHBondContact OH-N 3.15Å; Y183-A393 VanDerWaalsContact CE2-O 3.23Å; Y183-A393 WeakPolarHBondContact CE2-O 3.34Å; Y183-A393 PolarHBondContact OH-O 2.9Å; Y183-Y398 WeakPolarHBondContact CB-OH 3.49Å; Y183-Y398 HydrophobicContact CD2-CE2 4.07Å; Y183-Y398 HydrophobicContact CG-CE2 4.43Å; Y183-F408 AromaticContact CD1-CD1 3.75Å; Y183-F408 HydrophobicContact CD1-CD1 3.75Å; Y183-F408 AromaticContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CE1-CD1 4.07Å; Y183-F408 HydrophobicContact CE1-CE1 4.13Å; Y183-F408 HydrophobicContact CG-CE1 4.05Å
184	N	95	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-41.2	179.7	-61.6	-27.5	0	0	0	111.3	N99 W101 L139 G140 G141 V180 E181 S188 Y398	N99-N184 PolarHBondContact O-ND2 3.3Å; W101-N184 HydrophobicContact CB-CB 4.16Å; W101-N184 WeakPolarHBondContact CB-OD1 3.15Å; W101-N184 PolarHBondContact N-OD1 2.8Å; L139-N184 CarbonylContact O-C 3.44Å; L139-N184 VanDerWaalsContact O-CB 3.3Å; L139-N184 WeakPolarHBondContact O-CB 3.22Å; G140-N184 PolarHBondContact O-ND2 2.94Å; G141-N184 WeakPolarHBondContact O-CB 3.38Å; G141-N184 VanDerWaalsContact O-CG 3.24Å; G141-N184 PolarHBondContact O-ND2 2.91Å; V180-N184 PolarHBondContact O-N 3.38Å; E181-N184 PolarHBondContact O-N 2.82Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.19Å; N184-S188 PolarHBondContact O-N 2.94Å; N184-S188 PolarHBondContact O-OG 3.01Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.46Å; N184-Y398 PolarHBondContact OD1-OH 2.97Å
185	A	94.6	Very high	90.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-47.1	-179.8	0	0	0	0	0	112.3	L139 P171 E181 Y183 L187 S188 V189 I381	L139-A185 HydrophobicContact CB-CB 4.15Å; L139-A185 WeakPolarHBondContact O-CA 3.42Å; L139-A185 PolarHBondContact O-N 2.71Å; P171-A185 HydrophobicContact CG-CB 3.87Å; E181-A185 WeakPolarHBondContact O-CB 3.31Å; E181-A185 PolarHBondContact O-N 2.94Å; Y183-A185 VanDerWaalsContact C-N 3.26Å; Y183-A185 PolarHBondContact O-N 2.84Å; A185-L187 PolarHBondContact O-N 2.86Å; A185-S188 PolarHBondContact O-N 2.88Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 3.27Å; A185-I381 HydrophobicContact CB-CG2 3.96Å
186	T	95.3	Very high	91.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-47.5	178	-63.3	0	0	0	0	111.8	P182 Y183 S188 V189 H190 F385 A411 M415	P182-T186 WeakPolarHBondContact O-CB 3.1Å; P182-T186 PolarHBondContact O-N 3.33Å; P182-T186 PolarHBondContact O-OG1 3.17Å; Y183-T186 PolarHBondContact O-N 2.82Å; T186-S188 VanDerWaalsContact C-N 3.27Å; T186-S188 PolarHBondContact O-N 3.38Å; T186-V189 PolarHBondContact O-N 3.14Å; T186-H190 PolarHBondContact O-N 3.06Å; T186-H190 VanDerWaalsContact O-N 3.11Å; T186-F385 VanDerWaalsContact CB-CD2 3.46Å; T186-F385 HydrophobicContact CG2-CD2 3.78Å; T186-F385 HydrophobicContact CG2-CE2 3.68Å; T186-F385 HydrophobicContact CG2-CG 4.26Å; T186-F385 HydrophobicContact CG2-CZ 4.17Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.3Å; T186-A411 HydrophobicContact CG2-CB 3.93Å; T186-M415 HydrophobicContact CG2-CE 3.61Å; T186-M415 HydrophobicContact CG2-SD 4.32Å; T186-M415 WeakPolarHBondContact OG1-CE 3.35Å
187	L	95.8	Very high	92.4	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-38.4	177.3	-67.1	169.2	0	0	0	111.5	W101 Y183 A185 Q191 Y398 M403 F408 A411	W101-L187 HydrophobicContact CB-CD1 4.28Å; W101-L187 HydrophobicContact CD2-CB 3.83Å; W101-L187 HydrophobicContact CD2-CD1 3.91Å; W101-L187 HydrophobicContact CD2-CG 4.5Å; W101-L187 HydrophobicContact CE3-CB 4.21Å; W101-L187 HydrophobicContact CE3-CD1 3.73Å; W101-L187 HydrophobicContact CE3-CG 4.49Å; W101-L187 HydrophobicContact CG-CB 4.17Å; W101-L187 HydrophobicContact CG-CD1 4.16Å; W101-L187 HydrophobicContact CZ2-CB 4.14Å; W101-L187 HydrophobicContact CZ3-CD1 4.36Å; Y183-L187 VanDerWaalsContact O-CG 3.3Å; Y183-L187 WeakPolarHBondContact O-CG 3.29Å; Y183-L187 PolarHBondContact O-N 2.87Å; A185-L187 PolarHBondContact O-N 2.86Å; L187-Q191 PolarHBondContact O-N 3.47Å; L187-Y398 HydrophobicContact CD1-CD1 4.31Å; L187-Y398 HydrophobicContact CD1-CE1 4.27Å; L187-M403 HydrophobicContact CD1-CE 3.86Å; L187-M403 HydrophobicContact CD1-SD 4.37Å; L187-M403 HydrophobicContact CD2-CE 3.76Å; L187-M403 HydrophobicContact CG-CE 4.46Å; L187-F408 HydrophobicContact CD1-CE1 3.95Å; L187-F408 HydrophobicContact CD1-CZ 4.03Å; L187-A411 HydrophobicContact CD2-CB 3.9Å
188	S	95.8	Very high	93.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-71.4	-43.1	178.7	-57.1	0	0	0	0	112.9	W101 S145 N184 A185 T186 H190 Q191 L192	W101-S188 VanDerWaalsContact CD1-OG 3.25Å; W101-S188 PolarHBondContact NE1-OG 3.24Å; W101-S188 VanDerWaalsContact NE1-OG 3.11Å; S145-S188 VanDerWaalsContact CB-OG 3.29Å; S145-S188 WeakPolarHBondContact CB-OG 3.29Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.19Å; N184-S188 PolarHBondContact O-N 2.94Å; N184-S188 PolarHBondContact O-OG 3.01Å; A185-S188 PolarHBondContact O-N 2.88Å; T186-S188 VanDerWaalsContact C-N 3.27Å; T186-S188 PolarHBondContact O-N 3.38Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 2.81Å; S188-Q191 PolarHBondContact O-N 2.88Å; S188-Q191 VanDerWaalsContact O-N 3.1Å; S188-L192 WeakPolarHBondContact O-CG 3.45Å; S188-L192 PolarHBondContact O-N 3.1Å
189	V	94.9	Very high	94.1	Very high	3 Å²	3	18 Å²	18	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-59.1	-41.9	177.9	169.2	0	0	0	0	110.3	L139 A185 T186 Q191 L192 V193 F265 F378 L418	L139-V189 HydrophobicContact CD1-CG2 4.11Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 3.27Å; T186-V189 PolarHBondContact O-N 3.14Å; V189-Q191 VanDerWaalsContact C-N 3.27Å; V189-Q191 PolarHBondContact O-N 3.05Å; V189-L192 PolarHBondContact O-N 3.16Å; V189-L192 VanDerWaalsContact O-N 3.08Å; V189-V193 HydrophobicContact CG1-CG2 4.19Å; V189-V193 VanDerWaalsContact O-CG2 3.26Å; V189-V193 WeakPolarHBondContact O-CG2 3.45Å; V189-V193 PolarHBondContact O-N 3.43Å; V189-F265 HydrophobicContact CG1-CZ 4.47Å; V189-F378 HydrophobicContact CG1-CD1 4.14Å; V189-F378 HydrophobicContact CG1-CE1 3.73Å; V189-F378 HydrophobicContact CG2-CD1 4.46Å; V189-F378 HydrophobicContact CG2-CE1 3.98Å; V189-L418 HydrophobicContact CG1-CD2 4.35Å
190	H	94.9	Very high	94.5	Very high	34 Å²	34	14.2 Å²	14.2	16%	0.157	7%	0.07	C	C	.	.	H	α-helix	trans	-53.3	-44.9	174.9	168.8	44	0	0	0	112.2	T186 S188 E194 A411 N414	T186-H190 PolarHBondContact O-N 3.06Å; T186-H190 VanDerWaalsContact O-N 3.11Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 2.81Å; H190-E194 IonicContact CE1-OE1 3.51Å; H190-A411 HydrophobicContact CB-CB 3.93Å; H190-N414 PolarHBondContact ND1-ND2 3.31Å
191	Q	95.1	Very high	94.6	Very high	33 Å²	33	14.2 Å²	14.2	15%	0.154	7%	0.071	C	C	.	.	H	α-helix	trans	-71	-34.6	177.2	-64.9	-61.3	-37	0	0	113.3	W101 T149 L187 S188 V189 N195	W101-Q191 HydrophobicContact CZ2-CG 4.19Å; T149-Q191 HydrophobicContact CG2-CB 3.78Å; T149-Q191 HydrophobicContact CG2-CG 4.42Å; L187-Q191 PolarHBondContact O-N 3.47Å; S188-Q191 PolarHBondContact O-N 2.88Å; S188-Q191 VanDerWaalsContact O-N 3.1Å; V189-Q191 VanDerWaalsContact C-N 3.27Å; V189-Q191 PolarHBondContact O-N 3.05Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 3.27Å; Q191-N195 VanDerWaalsContact O-N 3.15Å; Q191-N195 PolarHBondContact O-ND2 3.18Å; Q191-N195 PolarHBondContact OE1-ND2 2.77Å
192	L	95.2	Very high	94.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68.3	-38.6	179.7	-67.9	173.9	0	0	0	112.3	L139 I152 T166 S188 V189 E194 N195 T196 T199 H264 F265	L139-L192 HydrophobicContact CD1-CD1 4.23Å; L139-L192 HydrophobicContact CD2-CD1 3.69Å; I152-L192 HydrophobicContact CD1-CD2 3.53Å; T166-L192 HydrophobicContact CG2-CD2 4.08Å; S188-L192 WeakPolarHBondContact O-CG 3.45Å; S188-L192 PolarHBondContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 3.16Å; V189-L192 VanDerWaalsContact O-N 3.08Å; L192-E194 PolarHBondContact O-N 3.36Å; L192-N195 PolarHBondContact O-N 3.36Å; L192-T196 HydrophobicContact CB-CG2 4.45Å; L192-T196 HydrophobicContact CD2-CG2 3.56Å; L192-T196 PolarHBondContact O-N 3.44Å; L192-T196 VanDerWaalsContact O-N 3.16Å; L192-T196 PolarHBondContact O-OG1 3Å; L192-T199 HydrophobicContact CD1-CG2 4.44Å; L192-H264 PolarHBondContact O-NE2 3.27Å; L192-F265 HydrophobicContact CB-CE1 4.25Å; L192-F265 HydrophobicContact CB-CZ 4.27Å
193	V	94.5	Very high	94.7	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.036	6%	0.063	C	C	.	.	H	α-helix	trans	-56.3	-32.9	179.2	170.6	0	0	0	0	112	V189 R262 H264 F265 L418	V189-V193 HydrophobicContact CG1-CG2 4.19Å; V189-V193 VanDerWaalsContact O-CG2 3.26Å; V189-V193 WeakPolarHBondContact O-CG2 3.45Å; V189-V193 PolarHBondContact O-N 3.43Å; V193-R262 HydrophobicContact CG1-CB 4.23Å; V193-R262 HydrophobicContact CG1-CG 3.98Å; V193-H264 PolarHBondContact O-CE1 3.01Å; V193-F265 HydrophobicContact CG2-CE2 3.76Å; V193-F265 HydrophobicContact CG2-CZ 3.72Å; V193-L418 HydrophobicContact CG2-CD1 4.41Å; V193-L418 HydrophobicContact CG2-CD2 3.83Å
194	E	91.2	Very high	94.4	Very high	112 Å²	112	13.9 Å²	13.9	52%	0.523	7%	0.069	S	C	.	.	H	α-helix	trans	-98.8	-33.4	-175.1	-62	-173.9	175.6	0	0	113.2	H190 L192	H190-E194 IonicContact CE1-OE1 3.51Å; L192-E194 PolarHBondContact O-N 3.36Å
195	N	94.3	Very high	94	Very high	24 Å²	24	15.7 Å²	15.7	13%	0.128	8%	0.078	C	C	.	.	H	α-helix	trans	-107.2	-4.6	-166.8	-59.4	-65.5	0	0	0	114.9	I152 Q191 L192	I152-N195 HydrophobicContact CG2-CB 3.5Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 3.27Å; Q191-N195 VanDerWaalsContact O-N 3.15Å; Q191-N195 PolarHBondContact O-ND2 3.18Å; Q191-N195 PolarHBondContact OE1-ND2 2.77Å; L192-N195 PolarHBondContact O-N 3.36Å
196	T	94.9	Very high	93.8	Very high	6 Å²	6	16 Å²	16	4%	0.037	8%	0.08	C	C	.	.			trans	-114.5	148.3	179.6	71.3	0	0	0	0	112.6	I152 M164 T166 L192 T199 H264	I152-T196 HydrophobicContact CD1-CG2 3.97Å; I152-T196 HydrophobicContact CG2-CG2 3.83Å; M164-T196 HydrophobicContact CG-CG2 4.01Å; T166-T196 HydrophobicContact CG2-CG2 3.59Å; L192-T196 HydrophobicContact CB-CG2 4.45Å; L192-T196 HydrophobicContact CD2-CG2 3.56Å; L192-T196 PolarHBondContact O-N 3.44Å; L192-T196 VanDerWaalsContact O-N 3.16Å; L192-T196 PolarHBondContact O-OG1 3Å; T196-T199 PolarHBondContact OG1-OG1 3.02Å; T196-H264 PolarHBondContact O-CE1 3.33Å; T196-H264 PolarHBondContact OG1-CD2 3.31Å; T196-H264 PolarHBondContact OG1-NE2 3.08Å
197	D	94.4	Very high	93.6	Very high	34 Å²	34	16.1 Å²	16.1	18%	0.182	8%	0.081	C	C	.	.	S	Bend	trans	-94.5	-31.4	177.2	-57.3	-65.6	0	0	0	111.3	R156 I163 M164 H264	R156-D197 IonicContact CZ-OD1 2.83Å; R156-D197 IonicContact CZ-OD2 2.73Å; R156-D197 IonicContact NH1-OD1 3.34Å; R156-D197 PolarHBondContact NH1-OD1 3.2Å; R156-D197 IonicContact NH1-OD2 2.81Å; R156-D197 PolarHBondContact NH1-OD2 3.02Å; R156-D197 IonicContact NH2-OD1 3.25Å; R156-D197 PolarHBondContact NH2-OD1 3Å; R156-D197 IonicContact NH2-OD2 3.94Å; I163-D197 VanDerWaalsContact CA-OD2 3.31Å; I163-D197 WeakPolarHBondContact CA-OD2 3.47Å; I163-D197 HydrophobicContact CD1-CB 4.29Å; I163-D197 HydrophobicContact CG2-CB 4.28Å; M164-D197 PolarHBondContact N-OD2 3.09Å; M164-D197 PolarHBondContact O-N 3.46Å; D197-H264 WeakPolarHBondContact O-CB 3.28Å
198	E	94.1	Very high	93.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.6	175.1	-58.1	-179.4	176.7	0	0	110.9	M164 N165 T166 Y200 A254 F266	M164-E198 PolarHBondContact O-N 3.38Å; N165-E198 CarbonylContact C-O 3.59Å; N165-E198 WeakPolarHBondContact CA-O 3.48Å; N165-E198 PolarHBondContact ND2-OE2 2.82Å; N165-E198 WeakPolarHBondContact OD1-CB 3.5Å; T166-E198 PolarHBondContact N-O 2.89Å; E198-Y200 HydrophobicContact CB-CE2 4.26Å; E198-Y200 PolarHBondContact OE2-OH 3.26Å; E198-A254 HydrophobicContact CG-CB 4.14Å; E198-A254 WeakPolarHBondContact OE1-CA 3.45Å; E198-A254 VanDerWaalsContact OE1-CB 3.25Å; E198-A254 WeakPolarHBondContact OE1-CB 3.47Å; E198-A254 PolarHBondContact OE1-N 2.88Å; E198-F266 HydrophobicContact CB-CD2 4.38Å; E198-F266 HydrophobicContact CB-CE2 3.68Å; E198-F266 HydrophobicContact CB-CZ 4.42Å; E198-F266 HydrophobicContact CG-CE2 3.69Å; E198-F266 HydrophobicContact CG-CZ 4.14Å
199	T	96.1	Very high	93	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.4	174.5	-72.1	0	0	0	0	110.8	T166 L192 T196 C201 H264 F265 F266	T166-T199 WeakPolarHBondContact OG1-CG2 3.36Å; T166-T199 PolarHBondContact OG1-OG1 3.3Å; L192-T199 HydrophobicContact CD1-CG2 4.44Å; T196-T199 PolarHBondContact OG1-OG1 3.02Å; T199-C201 PolarHBondContact O-N 3.16Å; T199-H264 PolarHBondContact N-O 2.85Å; T199-F265 HydrophobicContact CG2-CD1 3.6Å; T199-F265 HydrophobicContact CG2-CE1 3.78Å; T199-F265 CarbonylContact O-C 3.57Å; T199-F265 WeakPolarHBondContact O-CA 3.34Å; T199-F266 PolarHBondContact O-N 2.66Å
200	Y	95.9	Very high	92.7	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.008	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	107.6	174.1	-62.4	-90.2	0	0	0	109.2	T166 F167 S168 E198 I202 V236 L253 F266 I368	T166-Y200 WeakPolarHBondContact O-CD2 3.47Å; T166-Y200 PolarHBondContact O-N 3.24Å; F167-Y200 HydrophobicContact CD1-CD2 4.09Å; F167-Y200 AromaticContact CD1-CG 3.97Å; F167-Y200 HydrophobicContact CD1-CG 3.97Å; F167-Y200 HydrophobicContact CE1-CD1 4.24Å; F167-Y200 AromaticContact CE1-CD2 3.7Å; F167-Y200 HydrophobicContact CE1-CD2 3.7Å; F167-Y200 HydrophobicContact CE1-CE2 4.39Å; F167-Y200 AromaticContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE1-CG 3.64Å; F167-Y200 HydrophobicContact CE2-CD2 4.14Å; F167-Y200 AromaticContact CZ-CD2 3.74Å; F167-Y200 HydrophobicContact CZ-CD2 3.74Å; F167-Y200 HydrophobicContact CZ-CE2 4.07Å; F167-Y200 HydrophobicContact CZ-CG 4.15Å; S168-Y200 PolarHBondContact N-O 3.09Å; E198-Y200 HydrophobicContact CB-CE2 4.26Å; E198-Y200 PolarHBondContact OE2-OH 3.26Å; Y200-I202 PolarHBondContact O-N 3.35Å; Y200-V236 HydrophobicContact CD1-CG1 4.41Å; Y200-V236 HydrophobicContact CD1-CG2 4.23Å; Y200-V236 HydrophobicContact CE1-CB 4.4Å; Y200-V236 HydrophobicContact CE1-CG1 3.55Å; Y200-V236 HydrophobicContact CE1-CG2 3.92Å; Y200-V236 HydrophobicContact CE2-CG1 4.19Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.45Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.44Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.44Å; Y200-F266 HydrophobicContact CD1-CB 4.22Å; Y200-F266 HydrophobicContact CD1-CD2 4.11Å; Y200-F266 HydrophobicContact CE1-CB 4.48Å; Y200-F266 AromaticContact CE1-CD2 3.72Å; Y200-F266 HydrophobicContact CE1-CD2 3.72Å; Y200-F266 HydrophobicContact CE2-CD2 4.37Å; Y200-F266 AromaticContact CZ-CD2 3.83Å; Y200-I368 HydrophobicContact CD1-CG2 4.45Å; Y200-I368 HydrophobicContact CE1-CD1 4.13Å; Y200-I368 HydrophobicContact CE1-CG1 4.27Å; Y200-I368 HydrophobicContact CE1-CG2 3.79Å
201	C	94.9	Very high	92.4	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.027	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.7	179.8	-67.8	0	0	0	0	110.3	T199 F266 P268 I374	T199-C201 PolarHBondContact O-N 3.16Å; C201-F266 WeakPolarHBondContact CB-O 3.46Å; C201-F266 PolarHBondContact N-O 3.46Å; C201-P268 WeakPolarHBondContact O-CD 3.34Å; C201-P268 WeakPolarHBondContact O-CG 3.29Å; C201-I374 HydrophobicContact CB-CD1 4Å
202	I	94	Very high	92.1	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.3	177.9	-65	161.4	0	0	0	107.7	F167 S168 V169 V170 Y200 L207 V229 P268	F167-I202 HydrophobicContact CB-CD1 4.16Å; F167-I202 HydrophobicContact CD1-CD1 4.04Å; S168-I202 PolarHBondContact O-N 2.93Å; V169-I202 CarbonylContact C-O 3.22Å; V169-I202 VanDerWaalsContact CA-O 3.26Å; V169-I202 WeakPolarHBondContact CA-O 3.35Å; V169-I202 HydrophobicContact CG2-CB 4.32Å; V169-I202 HydrophobicContact CG2-CG2 4.28Å; V170-I202 PolarHBondContact N-O 3.19Å; Y200-I202 PolarHBondContact O-N 3.35Å; I202-L207 HydrophobicContact CG2-CD1 3.61Å; I202-L207 HydrophobicContact CG2-CG 4.3Å; I202-V229 HydrophobicContact CD1-CG1 3.6Å; I202-V229 HydrophobicContact CG2-CG2 3.64Å; I202-P268 HydrophobicContact CG1-CG 4.3Å
203	D	91.9	Very high	91.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.9	-177.1	-169.1	-12.7	0	0	0	111.3	E205 A206 L207 M300 A302 L377 R380	D203-E205 PolarHBondContact O-N 3.47Å; D203-E205 VanDerWaalsContact OD1-CB 3.27Å; D203-E205 WeakPolarHBondContact OD1-CB 3.38Å; D203-E205 PolarHBondContact OD1-N 3.47Å; D203-A206 HydrophobicContact CB-CB 4.14Å; D203-A206 PolarHBondContact O-N 3.05Å; D203-A206 VanDerWaalsContact O-N 3.12Å; D203-L207 WeakPolarHBondContact O-CG 3.34Å; D203-L207 PolarHBondContact O-N 3.23Å; D203-M300 PolarHBondContact N-O 3.3Å; D203-A302 WeakPolarHBondContact OD2-CB 3.43Å; D203-A302 PolarHBondContact OD2-N 3.1Å; D203-L377 HydrophobicContact CB-CD1 4.13Å; D203-R380 VanDerWaalsContact CG-NH2 3.34Å; D203-R380 IonicContact OD1-NH1 3.02Å; D203-R380 IonicContact OD1-NH2 3.9Å; D203-R380 PolarHBondContact OD1-NH2 3.31Å; D203-R380 IonicContact OD2-CZ 2.73Å; D203-R380 VanDerWaalsContact OD2-CZ 3.26Å; D203-R380 IonicContact OD2-NH1 3.45Å; D203-R380 PolarHBondContact OD2-NH1 3.15Å; D203-R380 IonicContact OD2-NH2 2.86Å; D203-R380 PolarHBondContact OD2-NH2 3.02Å
204	N	88.7	Confident	91.2	Very high	24 Å²	24	31.2 Å²	31.2	13%	0.128	14%	0.144	C	C	.	.	H	α-helix	trans	-57.7	-29.5	174.3	-83	-21	0	0	0	112.8	V169 V170 V175 Y208	V169-N204 WeakPolarHBondContact CG1-ND2 3.32Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.41Å; V170-N204 PolarHBondContact O-N 2.92Å; V175-N204 HydrophobicContact CB-CB 4.11Å; V175-N204 HydrophobicContact CG1-CB 4.28Å; V175-N204 HydrophobicContact CG2-CB 3.96Å; N204-Y208 VanDerWaalsContact O-CB 3.31Å; N204-Y208 WeakPolarHBondContact O-CB 3.05Å; N204-Y208 PolarHBondContact O-N 2.9Å
205	E	87.6	Confident	90.9	Very high	39 Å²	39	27.3 Å²	27.3	18%	0.182	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-47.2	175.3	-165.3	166.5	167.1	0	0	111.8	S172 K174 D203 Y208 D209 A302 R380	S172-E205 VanDerWaalsContact OG-CB 3.32Å; S172-E205 WeakPolarHBondContact OG-CB 3.4Å; K174-E205 HydrophobicContact CD-CG 3.92Å; K174-E205 WeakPolarHBondContact CE-OE1 3.4Å; K174-E205 VanDerWaalsContact NZ-CG 3.29Å; K174-E205 IonicContact NZ-OE1 3.86Å; K174-E205 PolarHBondContact NZ-OE1 3.5Å; D203-E205 PolarHBondContact O-N 3.47Å; D203-E205 VanDerWaalsContact OD1-CB 3.27Å; D203-E205 WeakPolarHBondContact OD1-CB 3.38Å; D203-E205 PolarHBondContact OD1-N 3.47Å; E205-Y208 PolarHBondContact O-N 3.5Å; E205-D209 WeakPolarHBondContact O-CB 3.25Å; E205-D209 PolarHBondContact O-N 2.97Å; E205-A302 HydrophobicContact CB-CB 4.11Å; E205-A302 HydrophobicContact CG-CB 4.39Å; E205-R380 IonicContact OE2-CZ 2.74Å; E205-R380 IonicContact OE2-NE 3.57Å; E205-R380 IonicContact OE2-NH1 3.92Å; E205-R380 PolarHBondContact OE2-NH1 2.86Å
206	A	90.3	Very high	90.5	Very high	7 Å²	7	33.5 Å²	33.5	6%	0.058	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-43.4	179.6	0	0	0	0	0	111.2	D203 Y208 D209 I210 A302	D203-A206 HydrophobicContact CB-CB 4.14Å; D203-A206 PolarHBondContact O-N 3.05Å; D203-A206 VanDerWaalsContact O-N 3.12Å; A206-Y208 VanDerWaalsContact C-N 3.31Å; A206-Y208 PolarHBondContact O-N 3.24Å; A206-D209 PolarHBondContact O-N 2.86Å; A206-I210 WeakPolarHBondContact O-CB 3.2Å; A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.47Å; A206-I210 PolarHBondContact O-N 2.79Å; A206-A302 HydrophobicContact CB-CB 4.04Å
207	L	90.8	Very high	90.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-44.1	175.4	-67.2	176.6	0	0	0	111.7	I202 D203 I210 C211 L225 L228 V229 M300	I202-L207 HydrophobicContact CG2-CD1 3.61Å; I202-L207 HydrophobicContact CG2-CG 4.3Å; D203-L207 WeakPolarHBondContact O-CG 3.34Å; D203-L207 PolarHBondContact O-N 3.23Å; L207-I210 PolarHBondContact O-N 2.98Å; L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.83Å; L207-C211 PolarHBondContact O-SG 3.34Å; L207-C211 VanDerWaalsContact O-SG 3.38Å; L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 3.73Å; L207-L225 HydrophobicContact CB-CG 3.93Å; L207-L225 HydrophobicContact CD1-CB 4.26Å; L207-L225 HydrophobicContact CD1-CD2 4.16Å; L207-L225 HydrophobicContact CD1-CG 4.5Å; L207-L228 HydrophobicContact CD2-CB 3.82Å; L207-L228 HydrophobicContact CD2-CD1 4.03Å; L207-V229 HydrophobicContact CD1-CG2 3.55Å; L207-V229 HydrophobicContact CD2-CG2 4.17Å; L207-M300 HydrophobicContact CD2-SD 3.4Å; L207-M300 WeakPolarHBondContact CD2-SD 3.41Å
208	Y	89.1	Confident	89.6	Confident	69 Å²	69	39.8 Å²	39.8	27%	0.271	19%	0.19	S	C	.	.	H	α-helix	trans	-63.8	-46.6	177	-171.4	-87.1	0	0	0	111.6	V175 N204 E205 A206 I210 C211 F212 P220	V175-Y208 HydrophobicContact CG2-CD2 4.23Å; V175-Y208 HydrophobicContact CG2-CG 4.4Å; N204-Y208 VanDerWaalsContact O-CB 3.31Å; N204-Y208 WeakPolarHBondContact O-CB 3.05Å; N204-Y208 PolarHBondContact O-N 2.9Å; E205-Y208 PolarHBondContact O-N 3.5Å; A206-Y208 VanDerWaalsContact C-N 3.31Å; A206-Y208 PolarHBondContact O-N 3.24Å; Y208-I210 VanDerWaalsContact C-N 3.34Å; Y208-I210 PolarHBondContact O-N 3.05Å; Y208-C211 PolarHBondContact O-N 3.02Å; Y208-F212 HydrophobicContact CD1-CB 4.49Å; Y208-F212 HydrophobicContact CE1-CB 4.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.48Å; Y208-F212 PolarHBondContact O-N 3.27Å; Y208-P220 HydrophobicContact CD2-CB 4.09Å; Y208-P220 HydrophobicContact CD2-CG 4.05Å; Y208-P220 HydrophobicContact CE2-CB 4.05Å; Y208-P220 HydrophobicContact CE2-CG 3.77Å
209	D	89.8	Confident	89.1	Confident	35 Å²	35	45 Å²	45	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-36.6	179.4	-80.2	-22.9	0	0	0	112	K174 E205 A206 R213	K174-D209 IonicContact NZ-OD1 3.93Å; K174-D209 IonicContact NZ-OD2 2.72Å; K174-D209 PolarHBondContact NZ-OD2 3.07Å; E205-D209 WeakPolarHBondContact O-CB 3.25Å; E205-D209 PolarHBondContact O-N 2.97Å; A206-D209 PolarHBondContact O-N 2.86Å; D209-R213 WeakPolarHBondContact O-CA 3.31Å; D209-R213 WeakPolarHBondContact O-CB 3.35Å; D209-R213 WeakPolarHBondContact O-CG 3.45Å; D209-R213 PolarHBondContact O-N 3.43Å; D209-R213 IonicContact OD1-NE 3.26Å
210	I	89.5	Confident	88.7	Confident	3 Å²	3	46 Å²	46	2%	0.015	23%	0.228	C	C	.	.	I	π-helix	trans	-62.2	-51.7	172	-72.9	166.6	0	0	0	110.6	A206 L207 Y208 F212 T214 L215 L228 L273 K297 M299 M300	A206-I210 WeakPolarHBondContact O-CB 3.2Å; A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.47Å; A206-I210 PolarHBondContact O-N 2.79Å; L207-I210 PolarHBondContact O-N 2.98Å; Y208-I210 VanDerWaalsContact C-N 3.34Å; Y208-I210 PolarHBondContact O-N 3.05Å; I210-F212 VanDerWaalsContact C-N 3.34Å; I210-F212 PolarHBondContact O-N 3.04Å; I210-T214 WeakPolarHBondContact O-CA 3.36Å; I210-T214 VanDerWaalsContact O-CB 3.22Å; I210-T214 WeakPolarHBondContact O-CB 3.38Å; I210-T214 PolarHBondContact O-N 3.33Å; I210-L215 HydrophobicContact CG2-CG 4.49Å; I210-L215 PolarHBondContact O-N 3.09Å; I210-L228 HydrophobicContact CB-CD1 4.2Å; I210-L228 HydrophobicContact CG2-CD1 3.66Å; I210-L273 HydrophobicContact CD1-CD1 4.14Å; I210-L273 HydrophobicContact CG1-CD1 4.43Å; I210-L273 HydrophobicContact CG2-CD1 3.84Å; I210-L273 HydrophobicContact CG2-CD2 4.37Å; I210-K297 VanDerWaalsContact CG1-O 3.29Å; I210-K297 WeakPolarHBondContact CG1-O 3.26Å; I210-M299 WeakPolarHBondContact CD1-O 3.36Å; I210-M300 HydrophobicContact CD1-CE 4.34Å; I210-M300 HydrophobicContact CD1-SD 3.66Å
211	C	88.9	Confident	88.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	S	.	.	I	π-helix	trans	-59.9	-44.9	-179.4	-76.3	0	0	0	0	111.7	L207 Y208 L215 K216 L217 P220	L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.83Å; L207-C211 PolarHBondContact O-SG 3.34Å; L207-C211 VanDerWaalsContact O-SG 3.38Å; Y208-C211 PolarHBondContact O-N 3.02Å; C211-L215 CarbonylContact O-C 3.57Å; C211-L215 WeakPolarHBondContact O-CB 3.47Å; C211-K216 PolarHBondContact O-N 2.89Å; C211-L217 HydrophobicContact CB-CD1 4.28Å; C211-L217 WeakPolarHBondContact O-CB 3.25Å; C211-L217 PolarHBondContact O-N 2.73Å; C211-P220 HydrophobicContact CB-CB 3.72Å; C211-P220 HydrophobicContact CB-CG 3.73Å
212	F	87.5	Confident	87.8	Confident	96 Å²	96	55 Å²	55	42%	0.421	27%	0.272	S	S	.	.	I	π-helix	trans	-75.2	-50.6	-176.8	-173.4	-103.4	0	0	0	112.6	Y208 I210 K216 L217 P220	Y208-F212 HydrophobicContact CD1-CB 4.49Å; Y208-F212 HydrophobicContact CE1-CB 4.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.48Å; Y208-F212 PolarHBondContact O-N 3.27Å; I210-F212 VanDerWaalsContact C-N 3.34Å; I210-F212 PolarHBondContact O-N 3.04Å; F212-K216 WeakPolarHBondContact O-CA 3.5Å; F212-L217 WeakPolarHBondContact CA-O 3.39Å; F212-L217 WeakPolarHBondContact CD2-O 3.36Å; F212-P220 HydrophobicContact CB-CG 4.28Å
213	R	85.7	Confident	87.4	Confident	154 Å²	154	56.9 Å²	56.9	58%	0.581	29%	0.291	S	S	*	.	I	π-helix	trans	-86.8	-41.1	-172.1	-59.1	-179.6	178.6	178.1	0.6	112.9	D209 K216	D209-R213 WeakPolarHBondContact O-CA 3.31Å; D209-R213 WeakPolarHBondContact O-CB 3.35Å; D209-R213 WeakPolarHBondContact O-CG 3.45Å; D209-R213 PolarHBondContact O-N 3.43Å; D209-R213 IonicContact OD1-NE 3.26Å; R213-K216 WeakPolarHBondContact O-CD 3.41Å; R213-K216 WeakPolarHBondContact O-CE 3.47Å; R213-K216 PolarHBondContact O-NZ 3.29Å
214	T	85	Confident	87.2	Confident	40 Å²	40	59 Å²	59	25%	0.245	30%	0.303	C	S	.	.	I	π-helix	trans	-91.1	-50.7	-173.9	-55.9	0	0	0	0	111.2	I210 K216 L273	I210-T214 WeakPolarHBondContact O-CA 3.36Å; I210-T214 VanDerWaalsContact O-CB 3.22Å; I210-T214 WeakPolarHBondContact O-CB 3.38Å; I210-T214 PolarHBondContact O-N 3.33Å; T214-K216 VanDerWaalsContact C-N 3.3Å; T214-K216 PolarHBondContact O-N 3.32Å; T214-L273 HydrophobicContact CG2-CB 4.08Å
215	L	85.1	Confident	87.3	Confident	31 Å²	31	58 Å²	58	16%	0.162	30%	0.297	C	S	.	.	S	Bend	trans	-80.4	-10.6	179.7	-58.3	-179.7	0	0	0	113.7	I210 C211 L217 L228 S275	I210-L215 HydrophobicContact CG2-CG 4.49Å; I210-L215 PolarHBondContact O-N 3.09Å; C211-L215 CarbonylContact O-C 3.57Å; C211-L215 WeakPolarHBondContact O-CB 3.47Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CD1 4.31Å; L215-L217 HydrophobicContact CB-CG 4.07Å; L215-L217 HydrophobicContact CD1-CD1 4.46Å; L215-L217 PolarHBondContact O-N 3.49Å; L215-L228 HydrophobicContact CD1-CD2 4.32Å; L215-S275 VanDerWaalsContact O-CB 3.28Å; L215-S275 WeakPolarHBondContact O-CB 3.49Å
216	K	87	Confident	87.4	Confident	153 Å²	153	56.9 Å²	56.9	67%	0.665	29%	0.292	S	S	*	.			trans	60.4	34.1	179.9	-54.4	-59.6	-174.9	-166.1	0	113.2	C211 F212 R213 T214	C211-K216 PolarHBondContact O-N 2.89Å; F212-K216 WeakPolarHBondContact O-CA 3.5Å; R213-K216 WeakPolarHBondContact O-CD 3.41Å; R213-K216 WeakPolarHBondContact O-CE 3.47Å; R213-K216 PolarHBondContact O-NZ 3.29Å; T214-K216 VanDerWaalsContact C-N 3.3Å; T214-K216 PolarHBondContact O-N 3.32Å
217	L	85.5	Confident	87.2	Confident	56 Å²	56	62.4 Å²	62.4	29%	0.293	32%	0.317	S	S	.	.			trans	-83.6	118.5	172.8	-58.9	177.6	0	0	0	109	C211 F212 L215 T219 D224	C211-L217 HydrophobicContact CB-CD1 4.28Å; C211-L217 WeakPolarHBondContact O-CB 3.25Å; C211-L217 PolarHBondContact O-N 2.73Å; F212-L217 WeakPolarHBondContact CA-O 3.39Å; F212-L217 WeakPolarHBondContact CD2-O 3.36Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CD1 4.31Å; L215-L217 HydrophobicContact CB-CG 4.07Å; L215-L217 HydrophobicContact CD1-CD1 4.46Å; L215-L217 PolarHBondContact O-N 3.49Å; L217-T219 VanDerWaalsContact C-N 3.3Å; L217-T219 PolarHBondContact O-N 2.81Å; L217-D224 HydrophobicContact CD1-CB 4.08Å
218	T	83.9	Confident	87.2	Confident	116 Å²	116	62.6 Å²	62.6	71%	0.712	32%	0.318	S	S	*	.	S	Bend	trans	-67.2	-31.7	-178.3	45.9	0	0	0	0	113
219	T	84.6	Confident	87.3	Confident	110 Å²	110	59.4 Å²	59.4	68%	0.675	31%	0.305	S	S	*	.	S	Bend	trans	-137.2	84.6	-179.5	51	0	0	0	0	109.4	L217 T221	L217-T219 VanDerWaalsContact C-N 3.3Å; L217-T219 PolarHBondContact O-N 2.81Å; T219-T221 PolarHBondContact O-N 2.88Å
220	P	86.3	Confident	87.4	Confident	21 Å²	21	57.8 Å²	57.8	14%	0.136	30%	0.297	C	S	.	.			trans	-59.6	133	176.9	-23.2	34.6	0	0	0	111.6	Y208 C211 F212 L225	Y208-P220 HydrophobicContact CD2-CB 4.09Å; Y208-P220 HydrophobicContact CD2-CG 4.05Å; Y208-P220 HydrophobicContact CE2-CB 4.05Å; Y208-P220 HydrophobicContact CE2-CG 3.77Å; C211-P220 HydrophobicContact CB-CB 3.72Å; C211-P220 HydrophobicContact CB-CG 3.73Å; F212-P220 HydrophobicContact CB-CG 4.28Å; P220-L225 HydrophobicContact CB-CD1 4.23Å
221	T	88.4	Confident	87.4	Confident	77 Å²	77	58.5 Å²	58.5	47%	0.472	30%	0.303	S	S	.	.			trans	-104.2	160.2	174.5	67.9	0	0	0	0	111	T219 G223 D224 L225	T219-T221 PolarHBondContact O-N 2.88Å; T221-G223 PolarHBondContact O-N 3.43Å; T221-G223 VanDerWaalsContact O-N 3.11Å; T221-D224 PolarHBondContact N-OD2 3.49Å; T221-D224 WeakPolarHBondContact O-CA 3.49Å; T221-D224 WeakPolarHBondContact O-CB 3.12Å; T221-D224 PolarHBondContact O-N 2.99Å; T221-D224 PolarHBondContact OG1-N 3.32Å; T221-D224 PolarHBondContact OG1-OD2 2.83Å; T221-L225 WeakPolarHBondContact O-CD1 3.47Å; T221-L225 PolarHBondContact O-N 2.8Å
222	Y	84.7	Confident	87.5	Confident	120 Å²	120	58.5 Å²	58.5	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-54.8	-30	173.1	-78.3	-68.5	0	0	0	113.1	V175 D224 L225 N226	V175-Y222 HydrophobicContact CG1-CE1 3.75Å; V175-Y222 WeakPolarHBondContact CG1-OH 3.3Å; V175-Y222 PolarHBondContact O-OH 2.81Å; Y222-D224 VanDerWaalsContact C-N 3.32Å; Y222-D224 PolarHBondContact O-N 3.08Å; Y222-L225 PolarHBondContact O-N 2.91Å; Y222-N226 VanDerWaalsContact O-CB 3.27Å; Y222-N226 WeakPolarHBondContact O-CB 3.5Å; Y222-N226 PolarHBondContact O-N 3Å; Y222-N226 PolarHBondContact O-ND2 3.1Å; Y222-N226 PolarHBondContact O-OD1 3.38Å
223	G	85.9	Confident	87.8	Confident	42 Å²	42	54 Å²	54	43%	0.433	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-37.6	173	0	0	0	0	0	113.2	T221 H227	T221-G223 PolarHBondContact O-N 3.43Å; T221-G223 VanDerWaalsContact O-N 3.11Å; G223-H227 PolarHBondContact O-N 3.39Å
224	D	87.6	Confident	88.1	Confident	44 Å²	44	46.7 Å²	46.7	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-71.6	-41.7	177.2	-56.6	-58.3	0	0	0	111.4	L217 T221 Y222 H227 L228	L217-D224 HydrophobicContact CD1-CB 4.08Å; T221-D224 PolarHBondContact N-OD2 3.49Å; T221-D224 WeakPolarHBondContact O-CA 3.49Å; T221-D224 WeakPolarHBondContact O-CB 3.12Å; T221-D224 PolarHBondContact O-N 2.99Å; T221-D224 PolarHBondContact OG1-N 3.32Å; T221-D224 PolarHBondContact OG1-OD2 2.83Å; Y222-D224 VanDerWaalsContact C-N 3.32Å; Y222-D224 PolarHBondContact O-N 3.08Å; D224-H227 WeakPolarHBondContact O-CB 3.48Å; D224-H227 PolarHBondContact O-N 3.34Å; D224-L228 PolarHBondContact O-N 3.46Å
225	L	89.3	Confident	88.3	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-48.9	174	-75.9	86	0	0	0	110.5	L207 P220 T221 Y222 H227 L228 V229	L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 3.73Å; L207-L225 HydrophobicContact CB-CG 3.93Å; L207-L225 HydrophobicContact CD1-CB 4.26Å; L207-L225 HydrophobicContact CD1-CD2 4.16Å; L207-L225 HydrophobicContact CD1-CG 4.5Å; P220-L225 HydrophobicContact CB-CD1 4.23Å; T221-L225 WeakPolarHBondContact O-CD1 3.47Å; T221-L225 PolarHBondContact O-N 2.8Å; Y222-L225 PolarHBondContact O-N 2.91Å; L225-H227 PolarHBondContact O-N 2.88Å; L225-L228 WeakPolarHBondContact O-CB 3.34Å; L225-L228 PolarHBondContact O-N 3.47Å; L225-V229 WeakPolarHBondContact O-CG2 3.47Å; L225-V229 PolarHBondContact O-N 3.48Å
226	N	90.4	Very high	88.4	Confident	14 Å²	14	43.7 Å²	43.7	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-28	179.9	-66.2	-14.1	0	0	0	112.3	I16 K19 Y222 V229 S230	I16-N226 WeakPolarHBondContact CG1-OD1 3.36Å; K19-N226 HydrophobicContact CG-CB 4.06Å; Y222-N226 VanDerWaalsContact O-CB 3.27Å; Y222-N226 WeakPolarHBondContact O-CB 3.5Å; Y222-N226 PolarHBondContact O-N 3Å; Y222-N226 PolarHBondContact O-ND2 3.1Å; Y222-N226 PolarHBondContact O-OD1 3.38Å; N226-V229 PolarHBondContact O-N 3.3Å; N226-S230 WeakPolarHBondContact O-CB 3.38Å; N226-S230 PolarHBondContact O-N 3Å; N226-S230 PolarHBondContact O-OG 3.32Å
227	H	87.3	Confident	88.6	Confident	123 Å²	123	36.6 Å²	36.6	57%	0.569	21%	0.208	S	C	*	.	H	α-helix	trans	-65.2	-42.6	172.4	-176.4	59.8	0	0	0	112.2	G223 D224 L225 S230 A231	G223-H227 PolarHBondContact O-N 3.39Å; D224-H227 WeakPolarHBondContact O-CB 3.48Å; D224-H227 PolarHBondContact O-N 3.34Å; L225-H227 PolarHBondContact O-N 2.88Å; H227-S230 WeakPolarHBondContact CA-OG 3.37Å; H227-S230 PolarHBondContact O-OG 2.9Å; H227-A231 WeakPolarHBondContact O-CB 3.44Å; H227-A231 PolarHBondContact O-N 2.94Å
228	L	89.6	Confident	88.7	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-40.4	175.3	-67.1	179.9	0	0	0	112.3	L207 I210 L215 D224 L225 A231 T232 L273 M300	L207-L228 HydrophobicContact CD2-CB 3.82Å; L207-L228 HydrophobicContact CD2-CD1 4.03Å; I210-L228 HydrophobicContact CB-CD1 4.2Å; I210-L228 HydrophobicContact CG2-CD1 3.66Å; L215-L228 HydrophobicContact CD1-CD2 4.32Å; D224-L228 PolarHBondContact O-N 3.46Å; L225-L228 WeakPolarHBondContact O-CB 3.34Å; L225-L228 PolarHBondContact O-N 3.47Å; L228-A231 PolarHBondContact O-N 3.45Å; L228-T232 PolarHBondContact O-N 3.4Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 2.99Å; L228-L273 HydrophobicContact CD2-CD2 3.51Å; L228-M300 HydrophobicContact CB-CE 4.05Å; L228-M300 HydrophobicContact CB-SD 4.37Å; L228-M300 HydrophobicContact CD2-CE 4.35Å
229	V	92.3	Very high	88.6	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-47.3	178.1	-179.8	0	0	0	0	111	I16 I202 L207 L225 N226 A231 T232 M233	I16-V229 HydrophobicContact CD1-CG1 4.23Å; I16-V229 HydrophobicContact CG1-CG1 4.35Å; I16-V229 HydrophobicContact CG2-CB 4.33Å; I16-V229 HydrophobicContact CG2-CG1 3.46Å; I16-V229 VanDerWaalsContact CG2-CG1 3.46Å; I202-V229 HydrophobicContact CD1-CG1 3.6Å; I202-V229 HydrophobicContact CG2-CG2 3.64Å; L207-V229 HydrophobicContact CD1-CG2 3.55Å; L207-V229 HydrophobicContact CD2-CG2 4.17Å; L225-V229 WeakPolarHBondContact O-CG2 3.47Å; L225-V229 PolarHBondContact O-N 3.48Å; N226-V229 PolarHBondContact O-N 3.3Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 3.01Å; V229-T232 WeakPolarHBondContact O-CB 3.45Å; V229-T232 PolarHBondContact O-N 2.96Å; V229-T232 VanDerWaalsContact O-N 3.17Å; V229-M233 HydrophobicContact CG1-CG 4.25Å; V229-M233 HydrophobicContact CG1-SD 3.98Å; V229-M233 WeakPolarHBondContact O-CG 3.31Å; V229-M233 PolarHBondContact O-N 2.83Å
230	S	91.4	Very high	88.6	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-36.3	178.2	55.3	0	0	0	0	112.7	N226 H227 M233 S234	N226-S230 WeakPolarHBondContact O-CB 3.38Å; N226-S230 PolarHBondContact O-N 3Å; N226-S230 PolarHBondContact O-OG 3.32Å; H227-S230 WeakPolarHBondContact CA-OG 3.37Å; H227-S230 PolarHBondContact O-OG 2.9Å; S230-M233 PolarHBondContact O-N 3.48Å; S230-S234 VanDerWaalsContact O-CB 3.3Å; S230-S234 WeakPolarHBondContact O-CB 3.5Å; S230-S234 PolarHBondContact O-N 3.25Å
231	A	89.8	Confident	88.7	Confident	18 Å²	18	23.8 Å²	23.8	15%	0.149	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-43.3	173	0	0	0	0	0	112.1	H227 L228 V229 G235 F270	H227-A231 WeakPolarHBondContact O-CB 3.44Å; H227-A231 PolarHBondContact O-N 2.94Å; L228-A231 PolarHBondContact O-N 3.45Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 3.01Å; A231-G235 PolarHBondContact O-N 2.82Å; A231-F270 HydrophobicContact CB-CD2 4.31Å; A231-F270 HydrophobicContact CB-CE1 4.4Å; A231-F270 HydrophobicContact CB-CE2 4.16Å; A231-F270 HydrophobicContact CB-CZ 4.21Å
232	T	91	Very high	88.6	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-51.2	174.6	-59.6	0	0	0	0	111.2	L228 V229 S234 G235 V236 P268	L228-T232 PolarHBondContact O-N 3.4Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 2.99Å; V229-T232 WeakPolarHBondContact O-CB 3.45Å; V229-T232 PolarHBondContact O-N 2.96Å; V229-T232 VanDerWaalsContact O-N 3.17Å; T232-S234 VanDerWaalsContact C-N 3.32Å; T232-S234 PolarHBondContact O-N 3.16Å; T232-G235 WeakPolarHBondContact O-CA 3.27Å; T232-G235 PolarHBondContact O-N 3.19Å; T232-V236 HydrophobicContact CG2-CG2 4.38Å; T232-V236 WeakPolarHBondContact O-CG2 3.45Å; T232-V236 PolarHBondContact O-N 3.21Å; T232-P268 HydrophobicContact CG2-CB 3.44Å; T232-P268 VanDerWaalsContact CG2-CB 3.44Å; T232-P268 HydrophobicContact CG2-CG 4.24Å
233	M	92.4	Very high	88.3	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-42.2	179.2	-70.5	176.9	71.4	0	0	112	I16 F20 T136 F167 V229 S230 G235 T237	I16-M233 HydrophobicContact CG2-SD 3.47Å; I16-M233 WeakPolarHBondContact CG2-SD 3.31Å; F20-M233 HydrophobicContact CB-CE 3.73Å; F20-M233 HydrophobicContact CB-SD 4.02Å; F20-M233 HydrophobicContact CD1-CE 4.09Å; F20-M233 HydrophobicContact CD2-CB 3.55Å; F20-M233 HydrophobicContact CD2-CE 3.72Å; F20-M233 HydrophobicContact CD2-SD 4.3Å; F20-M233 HydrophobicContact CE2-CB 3.98Å; F20-M233 HydrophobicContact CE2-CE 4.33Å; F20-M233 HydrophobicContact CG-CB 4.45Å; F20-M233 HydrophobicContact CG-CE 3.57Å; F20-M233 HydrophobicContact CG-SD 4.33Å; T136-M233 HydrophobicContact CG2-CE 3.31Å; T136-M233 HydrophobicContact CG2-SD 4.15Å; F167-M233 HydrophobicContact CD1-CG 3.63Å; F167-M233 HydrophobicContact CD1-SD 4.47Å; F167-M233 HydrophobicContact CD2-CE 4.09Å; F167-M233 HydrophobicContact CE1-CB 4.37Å; F167-M233 HydrophobicContact CE1-CG 3.69Å; F167-M233 HydrophobicContact CE2-CE 4.46Å; F167-M233 HydrophobicContact CG-CE 4.18Å; F167-M233 HydrophobicContact CG-CG 4.1Å; F167-M233 HydrophobicContact CG-SD 4.42Å; F167-M233 HydrophobicContact CZ-CG 4.23Å; V229-M233 HydrophobicContact CG1-CG 4.25Å; V229-M233 HydrophobicContact CG1-SD 3.98Å; V229-M233 WeakPolarHBondContact O-CG 3.31Å; V229-M233 PolarHBondContact O-N 2.83Å; S230-M233 PolarHBondContact O-N 3.48Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 2.95Å; M233-T237 WeakPolarHBondContact O-CB 3.44Å; M233-T237 VanDerWaalsContact O-CG2 3.23Å; M233-T237 WeakPolarHBondContact O-CG2 3.4Å; M233-T237 PolarHBondContact O-N 3.36Å; M233-T237 PolarHBondContact O-OG1 2.83Å
234	S	91.9	Very high	87.4	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-43.7	174	174.1	0	0	0	0	111.2	E27 S230 T232 T237 T238 R241 R318	E27-S234 VanDerWaalsContact CD-OG 3.22Å; E27-S234 PolarHBondContact OE1-OG 3.15Å; E27-S234 PolarHBondContact OE2-OG 3.48Å; S230-S234 VanDerWaalsContact O-CB 3.3Å; S230-S234 WeakPolarHBondContact O-CB 3.5Å; S230-S234 PolarHBondContact O-N 3.25Å; T232-S234 VanDerWaalsContact C-N 3.32Å; T232-S234 PolarHBondContact O-N 3.16Å; S234-T237 PolarHBondContact O-N 2.73Å; S234-T237 PolarHBondContact O-OG1 3.26Å; S234-T238 PolarHBondContact O-N 3.24Å; S234-T238 VanDerWaalsContact O-N 3.1Å; S234-T238 PolarHBondContact O-OG1 3.21Å; S234-R241 PolarHBondContact O-NH2 3.15Å; S234-R241 PolarHBondContact OG-NH2 3.11Å; S234-R318 PolarHBondContact OG-NH1 3.19Å
235	G	89.4	Confident	86.1	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-52	176.6	0	0	0	0	0	114	A231 T232 M233 T237 T238 T366	A231-G235 PolarHBondContact O-N 2.82Å; T232-G235 WeakPolarHBondContact O-CA 3.27Å; T232-G235 PolarHBondContact O-N 3.19Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 2.95Å; G235-T237 VanDerWaalsContact C-N 3.3Å; G235-T237 PolarHBondContact O-N 3.45Å; G235-T238 VanDerWaalsContact O-CB 3.23Å; G235-T238 WeakPolarHBondContact O-CB 3.07Å; G235-T238 PolarHBondContact O-N 3.18Å; G235-T238 PolarHBondContact O-OG1 2.99Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; G235-T366 VanDerWaalsContact CA-OG1 3.23Å; G235-T366 WeakPolarHBondContact CA-OG1 3.4Å
236	V	88.3	Confident	84.9	Confident	8 Å²	8	24 Å²	24	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-41.6	178.7	173.7	0	0	0	0	111.3	F167 Y200 T232 T238 T366 I368	F167-V236 HydrophobicContact CZ-CB 4.45Å; F167-V236 HydrophobicContact CZ-CG1 4.21Å; Y200-V236 HydrophobicContact CD1-CG1 4.41Å; Y200-V236 HydrophobicContact CD1-CG2 4.23Å; Y200-V236 HydrophobicContact CE1-CB 4.4Å; Y200-V236 HydrophobicContact CE1-CG1 3.55Å; Y200-V236 HydrophobicContact CE1-CG2 3.92Å; Y200-V236 HydrophobicContact CE2-CG1 4.19Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.45Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.44Å; T232-V236 HydrophobicContact CG2-CG2 4.38Å; T232-V236 WeakPolarHBondContact O-CG2 3.45Å; T232-V236 PolarHBondContact O-N 3.21Å; V236-T238 VanDerWaalsContact C-N 3.28Å; V236-T238 PolarHBondContact O-N 3.31Å; V236-T366 HydrophobicContact CG2-CG2 4.04Å; V236-I368 HydrophobicContact CB-CD1 4.27Å; V236-I368 HydrophobicContact CG1-CD1 3.95Å; V236-I368 HydrophobicContact CG2-CD1 3.84Å; V236-I368 HydrophobicContact CG2-CG1 3.94Å
237	T	90.1	Very high	83.2	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.025	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.7	-177.5	61.1	0	0	0	0	113.8	F20 Y50 M233 S234 G235 C239 L240 R241	F20-T237 HydrophobicContact CE2-CG2 4.26Å; F20-T237 HydrophobicContact CZ-CG2 4.3Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.48Å; M233-T237 WeakPolarHBondContact O-CB 3.44Å; M233-T237 VanDerWaalsContact O-CG2 3.23Å; M233-T237 WeakPolarHBondContact O-CG2 3.4Å; M233-T237 PolarHBondContact O-N 3.36Å; M233-T237 PolarHBondContact O-OG1 2.83Å; S234-T237 PolarHBondContact O-N 2.73Å; S234-T237 PolarHBondContact O-OG1 3.26Å; G235-T237 VanDerWaalsContact C-N 3.3Å; G235-T237 PolarHBondContact O-N 3.45Å; T237-C239 VanDerWaalsContact C-N 3.34Å; T237-C239 PolarHBondContact O-N 3.46Å; T237-L240 HydrophobicContact CG2-CD1 4.5Å; T237-L240 WeakPolarHBondContact O-CB 3.33Å; T237-L240 PolarHBondContact O-N 3.46Å; T237-L240 VanDerWaalsContact O-N 3.08Å; T237-R241 WeakPolarHBondContact O-CG 3.42Å; T237-R241 PolarHBondContact O-N 2.93Å; T237-R241 PolarHBondContact OG1-NE 3.34Å; T237-R241 VanDerWaalsContact OG1-NE 3.1Å
238	T	88.8	Confident	82.1	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-42.7	-176.7	-66.5	0	0	0	0	111.9	S234 G235 V236 L240 R241 F242 V316 R318 C354	S234-T238 PolarHBondContact O-N 3.24Å; S234-T238 VanDerWaalsContact O-N 3.1Å; S234-T238 PolarHBondContact O-OG1 3.21Å; G235-T238 VanDerWaalsContact O-CB 3.23Å; G235-T238 WeakPolarHBondContact O-CB 3.07Å; G235-T238 PolarHBondContact O-N 3.18Å; G235-T238 PolarHBondContact O-OG1 2.99Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; V236-T238 VanDerWaalsContact C-N 3.28Å; V236-T238 PolarHBondContact O-N 3.31Å; T238-L240 PolarHBondContact O-N 2.71Å; T238-L240 VanDerWaalsContact O-N 3.17Å; T238-R241 PolarHBondContact O-N 2.96Å; T238-F242 HydrophobicContact CG2-CD2 4.07Å; T238-F242 PolarHBondContact O-N 3.38Å; T238-V316 HydrophobicContact CG2-CG1 4.3Å; T238-R318 HydrophobicContact CG2-CG 3.95Å; T238-R318 VanDerWaalsContact OG1-CD 3.31Å; T238-R318 WeakPolarHBondContact OG1-CD 3.34Å; T238-R318 PolarHBondContact OG1-NE 3.14Å; T238-R318 PolarHBondContact OG1-NH1 3.01Å; T238-C354 HydrophobicContact CG2-CB 3.59Å
239	C	81.1	Confident	81.3	Confident	22 Å²	22	23.3 Å²	23.3	15%	0.149	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-21.6	179.8	-62.4	0	0	0	0	113.3	R46 T237 A248	R46-C239 PolarHBondContact NH1-O 2.79Å; T237-C239 VanDerWaalsContact C-N 3.34Å; T237-C239 PolarHBondContact O-N 3.46Å; C239-A248 HydrophobicContact CB-CB 4.42Å
240	L	85.4	Confident	80.6	Confident	11 Å²	11	23.6 Å²	23.6	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-87.3	-45.6	178.8	-51	168.6	0	0	0	110	I4 R46 V49 T237 T238 L250	I4-L240 HydrophobicContact CD1-CD1 3.67Å; R46-L240 VanDerWaalsContact CD-O 3.3Å; R46-L240 WeakPolarHBondContact CD-O 3.24Å; V49-L240 HydrophobicContact CG1-CB 4.31Å; T237-L240 HydrophobicContact CG2-CD1 4.5Å; T237-L240 WeakPolarHBondContact O-CB 3.33Å; T237-L240 PolarHBondContact O-N 3.46Å; T237-L240 VanDerWaalsContact O-N 3.08Å; T238-L240 PolarHBondContact O-N 2.71Å; T238-L240 VanDerWaalsContact O-N 3.17Å; L240-L250 HydrophobicContact CD1-CD2 3.4Å; L240-L250 HydrophobicContact CD1-CG 4.01Å; L240-L250 HydrophobicContact CD2-CD2 4.03Å; L240-L250 HydrophobicContact CD2-CG 4.08Å; L240-L250 HydrophobicContact CG-CD2 4.33Å
241	R	88.4	Confident	80.3	Confident	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-79.3	-25.2	-172	-71.1	-173.4	-57.8	105.8	-1.3	115.4	E27 H28 R46 Y50 S234 T237 T238	E27-R241 IonicContact OE2-CZ 2.67Å; E27-R241 VanDerWaalsContact OE2-CZ 3.25Å; E27-R241 IonicContact OE2-NH1 3.85Å; E27-R241 PolarHBondContact OE2-NH1 3.22Å; E27-R241 IonicContact OE2-NH2 3.66Å; E27-R241 PolarHBondContact OE2-NH2 3.35Å; H28-R241 PolarHBondContact NE2-NH1 3.43Å; R46-R241 WeakPolarHBondContact CB-O 3.31Å; Y50-R241 HydrophobicContact CD2-CG 3.56Å; Y50-R241 HydrophobicContact CE2-CG 3.58Å; S234-R241 PolarHBondContact O-NH2 3.15Å; S234-R241 PolarHBondContact OG-NH2 3.11Å; T237-R241 WeakPolarHBondContact O-CG 3.42Å; T237-R241 PolarHBondContact O-N 2.93Å; T237-R241 PolarHBondContact OG1-NE 3.34Å; T237-R241 VanDerWaalsContact OG1-NE 3.1Å; T238-R241 PolarHBondContact O-N 2.96Å
242	F	86.3	Confident	80.1	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.168	C	C	.	.	S	Bend	trans	-124.1	145	-179.4	-61.7	-63.4	0	0	0	110.9	E27 H28 T238 G244 I356	E27-F242 HydrophobicContact CB-CZ 4.19Å; H28-F242 AromaticContact CE1-CE1 3.48Å; H28-F242 VanDerWaalsContact CE1-CE1 3.48Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.33Å; H28-F242 AromaticContact CE1-CZ 3.8Å; H28-F242 AromaticContact ND1-CE1 3.81Å; H28-F242 AromaticContact NE2-CZ 3.95Å; T238-F242 HydrophobicContact CG2-CD2 4.07Å; T238-F242 PolarHBondContact O-N 3.38Å; F242-G244 PolarHBondContact O-N 3.07Å; F242-I356 HydrophobicContact CD1-CD1 3.47Å; F242-I356 VanDerWaalsContact CD1-CD1 3.47Å; F242-I356 HydrophobicContact CE1-CD1 3.68Å; F242-I356 HydrophobicContact CE1-CG2 4.42Å; F242-I356 HydrophobicContact CE2-CG2 4.38Å; F242-I356 HydrophobicContact CG-CD1 4.01Å; F242-I356 HydrophobicContact CZ-CD1 4.4Å; F242-I356 HydrophobicContact CZ-CG2 4.17Å
243	P	77.1	Confident	79.8	Confident	43 Å²	43	34.5 Å²	34.5	28%	0.279	18%	0.176	S	C	.	.			trans	-63	120.9	169.7	28.2	-34.2	0	0	0	108.8	L42 D45	L42-P243 HydrophobicContact CD2-CG 3.86Å; D45-P243 HydrophobicContact CB-CG 4.38Å; D45-P243 WeakPolarHBondContact OD2-CG 3.46Å
244	G	68.8	Low	79.5	Confident	20 Å²	20	35 Å²	35	21%	0.206	18%	0.18	C	C	.	.			trans	-125.1	158.6	175.1	0	0	0	0	0	110.3	F242 L246 N247	F242-G244 PolarHBondContact O-N 3.07Å; G244-L246 PolarHBondContact O-N 3.16Å; G244-N247 PolarHBondContact O-OD1 3.43Å
245	Q	59.1	Low	79.4	Confident	150 Å²	150	40.2 Å²	40.2	70%	0.701	21%	0.211	S	C	*	.	S	Bend	trans	-63.4	-30	178.5	-64.5	-166.2	-4.8	0	0	112.1	N247 M323	Q245-N247 PolarHBondContact O-N 3.45Å; Q245-M323 HydrophobicContact CG-CE 4.01Å; Q245-M323 PolarHBondContact OE1-SD 3.39Å
246	L	64	Low	79.4	Confident	78 Å²	78	43.3 Å²	43.3	41%	0.408	23%	0.228	S	C	.	.	S	Bend	trans	-90.2	88	168.4	-153.8	87.8	0	0	0	109.2	G244 A248 A352	G244-L246 PolarHBondContact O-N 3.16Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 2.99Å; L246-A352 HydrophobicContact CB-CB 4.26Å; L246-A352 HydrophobicContact CD2-CB 4.09Å
247	N	55	Low	79.4	Confident	84 Å²	84	43 Å²	43	45%	0.449	23%	0.226	S	C	.	.			trans	-66.2	91.3	172.7	-76.6	-44.3	0	0	0	110	R46 G244 Q245 K252	R46-N247 PolarHBondContact NH2-OD1 3.14Å; G244-N247 PolarHBondContact O-OD1 3.43Å; Q245-N247 PolarHBondContact O-N 3.45Å; N247-K252 PolarHBondContact O-NZ 3.25Å; N247-K252 VanDerWaalsContact O-NZ 3.16Å
248	A	64.3	Low	79.6	Confident	12 Å²	12	44.2 Å²	44.2	10%	0.099	23%	0.233	C	C	.	.			trans	-105	121	174.8	0	0	0	0	0	109.6	C239 L246	C239-A248 HydrophobicContact CB-CB 4.42Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 2.99Å
249	D	72.4	Confident	79.7	Confident	33 Å²	33	46.6 Å²	46.6	18%	0.176	25%	0.249	C	C	.	.			trans	-82.6	170.3	157.4	35.5	57.5	0	0	0	109.3	R2 Q131 R251 K252 L253	R2-D249 IonicContact CZ-OD2 3.07Å; R2-D249 IonicContact NH1-OD2 2.97Å; R2-D249 PolarHBondContact NH1-OD2 3.48Å; R2-D249 IonicContact NH2-OD2 3.77Å; R2-D249 PolarHBondContact NH2-OD2 3.49Å; Q131-D249 VanDerWaalsContact OE1-CB 3.31Å; D249-R251 PolarHBondContact O-N 3.33Å; D249-K252 PolarHBondContact O-N 2.79Å; D249-K252 WeakPolarHBondContact OD1-CA 3.5Å; D249-K252 WeakPolarHBondContact OD1-CB 3.45Å; D249-K252 PolarHBondContact OD1-N 2.99Å; D249-L253 PolarHBondContact O-N 3.49Å
250	L	78.5	Confident	80.2	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-53.8	-43	172.8	-72.4	-178.5	0	0	0	112	I4 Q131 I163 N165 L240 K252 L253 A254	I4-L250 HydrophobicContact CD1-CD1 3.74Å; I4-L250 HydrophobicContact CD1-CG 4.13Å; I4-L250 HydrophobicContact CG1-CD1 3.95Å; Q131-L250 HydrophobicContact CB-CD1 4.21Å; Q131-L250 VanDerWaalsContact OE1-N 3.14Å; I163-L250 HydrophobicContact CB-CB 4.33Å; I163-L250 HydrophobicContact CG1-CB 4.46Å; I163-L250 HydrophobicContact CG2-CB 4.08Å; I163-L250 HydrophobicContact CG2-CD1 4.45Å; N165-L250 WeakPolarHBondContact ND2-CD2 3.44Å; L240-L250 HydrophobicContact CD1-CD2 3.4Å; L240-L250 HydrophobicContact CD1-CG 4.01Å; L240-L250 HydrophobicContact CD2-CD2 4.03Å; L240-L250 HydrophobicContact CD2-CG 4.08Å; L240-L250 HydrophobicContact CG-CD2 4.33Å; L250-K252 PolarHBondContact O-N 2.99Å; L250-L253 WeakPolarHBondContact O-CB 3.4Å; L250-L253 PolarHBondContact O-N 3.45Å; L250-A254 PolarHBondContact O-N 2.91Å
251	R	85	Confident	80.4	Confident	127 Å²	127	53 Å²	53	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-41.1	-179.4	-176.8	171.3	-67.4	-74.1	0.5	112.5	D161 I163 D249 L253 A254 V255	D161-R251 PolarHBondContact O-NH2 3.08Å; I163-R251 HydrophobicContact CD1-CB 4.31Å; I163-R251 HydrophobicContact CD1-CG 4.45Å; I163-R251 HydrophobicContact CG1-CB 4.11Å; D249-R251 PolarHBondContact O-N 3.33Å; R251-L253 VanDerWaalsContact C-N 3.35Å; R251-A254 PolarHBondContact O-N 3.11Å; R251-V255 HydrophobicContact CG-CG2 4.49Å; R251-V255 WeakPolarHBondContact O-CB 3.46Å; R251-V255 VanDerWaalsContact O-CG2 3.23Å; R251-V255 WeakPolarHBondContact O-CG2 3.2Å; R251-V255 PolarHBondContact O-N 3.27Å
252	K	85.5	Confident	80.6	Confident	93 Å²	93	56.1 Å²	56.1	40%	0.404	30%	0.297	S	S	.	.	H	α-helix	trans	-72.2	-31.2	177.8	-174.9	172.5	178.1	-173.8	0	111.3	N247 D249 L250 N256	N247-K252 PolarHBondContact O-NZ 3.25Å; N247-K252 VanDerWaalsContact O-NZ 3.16Å; D249-K252 PolarHBondContact O-N 2.79Å; D249-K252 WeakPolarHBondContact OD1-CA 3.5Å; D249-K252 WeakPolarHBondContact OD1-CB 3.45Å; D249-K252 PolarHBondContact OD1-N 2.99Å; L250-K252 PolarHBondContact O-N 2.99Å; K252-N256 PolarHBondContact O-N 3.4Å; K252-N256 PolarHBondContact O-ND2 3.25Å
253	L	83.6	Confident	81	Confident	29 Å²	29	56 Å²	56	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-51.8	168.9	-174.5	64	0	0	0	109.8	Y200 D249 L250 R251 V255 N256 M257 A314	Y200-L253 WeakPolarHBondContact OH-CD2 3.44Å; D249-L253 PolarHBondContact O-N 3.49Å; L250-L253 WeakPolarHBondContact O-CB 3.4Å; L250-L253 PolarHBondContact O-N 3.45Å; R251-L253 VanDerWaalsContact C-N 3.35Å; L253-V255 PolarHBondContact O-N 3.4Å; L253-N256 PolarHBondContact O-N 3.43Å; L253-N256 VanDerWaalsContact O-N 3.07Å; L253-M257 HydrophobicContact CD1-CG 3.84Å; L253-M257 HydrophobicContact CG-CG 4.24Å; L253-M257 WeakPolarHBondContact O-CB 3.22Å; L253-M257 VanDerWaalsContact O-CG 3.31Å; L253-M257 WeakPolarHBondContact O-CG 3.23Å; L253-M257 PolarHBondContact O-N 3.49Å; L253-A314 HydrophobicContact CD1-CB 4.37Å
254	A	86.8	Confident	81.9	Confident	12 Å²	12	54 Å²	54	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-49.3	179.3	0	0	0	0	0	112	I163 E198 L250 R251 N256 M257 V258	I163-A254 HydrophobicContact CD1-CB 4.45Å; E198-A254 HydrophobicContact CG-CB 4.14Å; E198-A254 WeakPolarHBondContact OE1-CA 3.45Å; E198-A254 VanDerWaalsContact OE1-CB 3.25Å; E198-A254 WeakPolarHBondContact OE1-CB 3.47Å; E198-A254 PolarHBondContact OE1-N 2.88Å; L250-A254 PolarHBondContact O-N 2.91Å; R251-A254 PolarHBondContact O-N 3.11Å; A254-N256 VanDerWaalsContact C-N 3.26Å; A254-N256 PolarHBondContact O-N 3.46Å; A254-M257 PolarHBondContact O-N 2.86Å; A254-M257 VanDerWaalsContact O-N 3.1Å; A254-V258 WeakPolarHBondContact O-CB 3.35Å; A254-V258 PolarHBondContact O-N 3.31Å
255	V	89.2	Confident	83.2	Confident	109 Å²	109	53.1 Å²	53.1	66%	0.661	27%	0.274	S	S	*	.	H	α-helix	trans	-61.3	-32.4	179.4	169.7	0	0	0	0	112.7	R251 L253	R251-V255 HydrophobicContact CG-CG2 4.49Å; R251-V255 WeakPolarHBondContact O-CB 3.46Å; R251-V255 VanDerWaalsContact O-CG2 3.23Å; R251-V255 WeakPolarHBondContact O-CG2 3.2Å; R251-V255 PolarHBondContact O-N 3.27Å; L253-V255 PolarHBondContact O-N 3.4Å
256	N	89.3	Confident	84.9	Confident	66 Å²	66	46 Å²	46	35%	0.353	24%	0.241	S	C	.	.	H	α-helix	trans	-83	-24.7	177.3	-76.4	-62.4	0	0	0	113	K252 L253 A254 T312 K350	K252-N256 PolarHBondContact O-N 3.4Å; K252-N256 PolarHBondContact O-ND2 3.25Å; L253-N256 PolarHBondContact O-N 3.43Å; L253-N256 VanDerWaalsContact O-N 3.07Å; A254-N256 VanDerWaalsContact C-N 3.26Å; A254-N256 PolarHBondContact O-N 3.46Å; N256-T312 WeakPolarHBondContact O-CG2 3.38Å; N256-K350 HydrophobicContact CB-CG 4.42Å
257	M	89.7	Confident	86.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-102.7	-24.7	-170.9	-68.6	-59	-62.3	0	0	113.7	L253 A254 P259 F266 T312 A314 I368 N370	L253-M257 HydrophobicContact CD1-CG 3.84Å; L253-M257 HydrophobicContact CG-CG 4.24Å; L253-M257 WeakPolarHBondContact O-CB 3.22Å; L253-M257 VanDerWaalsContact O-CG 3.31Å; L253-M257 WeakPolarHBondContact O-CG 3.23Å; L253-M257 PolarHBondContact O-N 3.49Å; A254-M257 PolarHBondContact O-N 2.86Å; A254-M257 VanDerWaalsContact O-N 3.1Å; M257-P259 WeakPolarHBondContact O-CD 3.46Å; M257-F266 HydrophobicContact CB-CE1 3.79Å; M257-F266 HydrophobicContact CB-CE2 4.33Å; M257-F266 HydrophobicContact CB-CZ 3.48Å; M257-F266 VanDerWaalsContact CB-CZ 3.48Å; M257-F266 HydrophobicContact CE-CD1 4.45Å; M257-F266 HydrophobicContact CE-CE1 4.34Å; M257-F266 HydrophobicContact CG-CZ 4.42Å; M257-T312 WeakPolarHBondContact CA-OG1 3.47Å; M257-T312 PolarHBondContact O-OG1 3.48Å; M257-A314 HydrophobicContact CE-CB 4.21Å; M257-A314 HydrophobicContact CG-CB 4.46Å; M257-A314 HydrophobicContact SD-CB 3.53Å; M257-A314 VanDerWaalsContact SD-CB 3.53Å; M257-I368 HydrophobicContact CE-CB 4.35Å; M257-I368 HydrophobicContact CE-CG2 3.91Å; M257-I368 VanDerWaalsContact CE-O 3.3Å; M257-I368 WeakPolarHBondContact CE-O 3.47Å; M257-N370 HydrophobicContact CE-CB 4.45Å; M257-N370 PolarHBondContact O-ND2 3.04Å
258	V	93.1	Very high	88.2	Confident	29 Å²	29	38.3 Å²	38.3	18%	0.176	20%	0.2	C	C	.	.			trans	-112.6	92.4	-174	-173.9	0	0	0	0	109.5	A254 F260 H264 F266	A254-V258 WeakPolarHBondContact O-CB 3.35Å; A254-V258 PolarHBondContact O-N 3.31Å; V258-F260 VanDerWaalsContact C-N 3.34Å; V258-F260 WeakPolarHBondContact CG1-O 3.37Å; V258-H264 HydrophobicContact CG1-CB 3.94Å; V258-H264 HydrophobicContact CG2-CB 3.87Å; V258-F266 HydrophobicContact CG2-CE1 4.12Å; V258-F266 HydrophobicContact CG2-CZ 3.65Å
259	P	90.4	Very high	89.6	Confident	50 Å²	50	37.7 Å²	37.7	33%	0.325	20%	0.195	S	C	.	.	S	Bend	trans	-71.7	-31.2	175.1	28.1	-33.3	0	0	0	112.2	M257 L311 I345	M257-P259 WeakPolarHBondContact O-CD 3.46Å; P259-L311 HydrophobicContact CG-CB 4.28Å; P259-L311 HydrophobicContact CG-CD1 4.22Å; P259-I345 HydrophobicContact CB-CD1 4Å; P259-I345 HydrophobicContact CG-CD1 4.13Å
260	F	92.2	Very high	90.5	Very high	55 Å²	55	36.8 Å²	36.8	24%	0.241	19%	0.19	C	C	.	.	S	Bend	trans	-127.7	133.6	-179.3	-58.6	-69.9	0	0	0	110.3	V258 R262 L263 W344 Y425	V258-F260 VanDerWaalsContact C-N 3.34Å; V258-F260 WeakPolarHBondContact CG1-O 3.37Å; F260-R262 VanDerWaalsContact C-N 3.29Å; F260-R262 PolarHBondContact O-N 2.93Å; F260-R262 VanDerWaalsContact O-N 3.14Å; F260-L263 HydrophobicContact CB-CB 4.28Å; F260-L263 HydrophobicContact CB-CD1 4.3Å; F260-L263 HydrophobicContact CB-CG 4.14Å; F260-L263 HydrophobicContact CD2-CD1 3.98Å; F260-L263 PolarHBondContact O-N 2.93Å; F260-W344 AromaticContact CE2-CH2 3.5Å; F260-W344 HydrophobicContact CE2-CH2 3.5Å; F260-W344 VanDerWaalsContact CE2-CH2 3.5Å; F260-W344 HydrophobicContact CE2-CZ2 4.31Å; F260-W344 HydrophobicContact CE2-CZ3 4.16Å; F260-W344 AromaticContact CZ-CH2 3.87Å; F260-W344 HydrophobicContact CZ-CH2 3.87Å; F260-W344 HydrophobicContact CZ-CZ3 4.1Å; F260-Y425 HydrophobicContact CD2-CD1 4.43Å; F260-Y425 HydrophobicContact CD2-CD2 4.23Å; F260-Y425 HydrophobicContact CD2-CE1 4.06Å; F260-Y425 AromaticContact CD2-CE2 3.82Å; F260-Y425 HydrophobicContact CD2-CE2 3.82Å; F260-Y425 AromaticContact CD2-CZ 3.72Å; F260-Y425 AromaticContact CE1-CE1 3.92Å; F260-Y425 HydrophobicContact CE1-CE1 3.92Å; F260-Y425 AromaticContact CE1-CZ 3.78Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.45Å; F260-Y425 AromaticContact CE2-CD1 3.57Å; F260-Y425 HydrophobicContact CE2-CD1 3.57Å; F260-Y425 HydrophobicContact CE2-CD2 4.15Å; F260-Y425 AromaticContact CE2-CE1 3.24Å; F260-Y425 HydrophobicContact CE2-CE1 3.24Å; F260-Y425 AromaticContact CE2-CE2 3.85Å; F260-Y425 HydrophobicContact CE2-CE2 3.85Å; F260-Y425 HydrophobicContact CE2-CG 4.01Å; F260-Y425 AromaticContact CE2-CZ 3.38Å; F260-Y425 HydrophobicContact CG-CE2 4.23Å; F260-Y425 AromaticContact CZ-CD1 3.9Å; F260-Y425 HydrophobicContact CZ-CD1 3.9Å; F260-Y425 AromaticContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE2 4.35Å; F260-Y425 AromaticContact CZ-CZ 3.44Å; F260-Y425 VanDerWaalsContact CZ-CZ 3.44Å
261	P	89.5	Confident	91.1	Very high	113 Å²	113	36.5 Å²	36.5	73%	0.734	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.3	-171.6	-29.1	35.2	0	0	0	115.2	H264	P261-H264 PolarHBondContact O-ND1 2.97Å
262	R	93.1	Very high	91.2	Very high	66 Å²	66	30.8 Å²	30.8	25%	0.249	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.5	-179.4	-69.6	168.8	61.1	95.6	-4.4	113.4	V193 F260 H264 N414 L418 E421	V193-R262 HydrophobicContact CG1-CB 4.23Å; V193-R262 HydrophobicContact CG1-CG 3.98Å; F260-R262 VanDerWaalsContact C-N 3.29Å; F260-R262 PolarHBondContact O-N 2.93Å; F260-R262 VanDerWaalsContact O-N 3.14Å; R262-H264 PolarHBondContact O-N 3.37Å; R262-N414 PolarHBondContact NH1-OD1 3.26Å; R262-N414 PolarHBondContact NH2-OD1 3.3Å; R262-L418 HydrophobicContact CB-CD1 4.48Å; R262-E421 WeakPolarHBondContact CB-OE2 3.28Å; R262-E421 IonicContact CZ-OE1 3.3Å; R262-E421 IonicContact NE-OE1 3.04Å; R262-E421 PolarHBondContact NE-OE1 2.98Å; R262-E421 IonicContact NE-OE2 2.74Å; R262-E421 PolarHBondContact NE-OE2 3.11Å; R262-E421 IonicContact NH2-OE1 3.85Å; R262-E421 PolarHBondContact NH2-OE1 2.84Å; R262-E421 VanDerWaalsContact NH2-OE1 3.14Å
263	L	94.4	Very high	91.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.			trans	-96.8	59.1	-176.9	-52.7	-171.3	0	0	0	111.3	F260 L311 N370 L418 E421 Y422 Y425	F260-L263 HydrophobicContact CB-CB 4.28Å; F260-L263 HydrophobicContact CB-CD1 4.3Å; F260-L263 HydrophobicContact CB-CG 4.14Å; F260-L263 HydrophobicContact CD2-CD1 3.98Å; F260-L263 PolarHBondContact O-N 2.93Å; L263-L311 HydrophobicContact CD1-CD1 4.11Å; L263-N370 PolarHBondContact O-ND2 2.82Å; L263-L418 HydrophobicContact CD2-CD1 3.83Å; L263-E421 HydrophobicContact CD2-CB 4.07Å; L263-Y422 HydrophobicContact CB-CE1 4.01Å; L263-Y422 HydrophobicContact CD1-CD1 4.24Å; L263-Y422 HydrophobicContact CD1-CE1 4.24Å; L263-Y422 HydrophobicContact CD2-CD1 3.99Å; L263-Y422 HydrophobicContact CD2-CD2 3.91Å; L263-Y422 HydrophobicContact CD2-CE1 3.81Å; L263-Y422 HydrophobicContact CD2-CE2 3.69Å; L263-Y422 HydrophobicContact CD2-CG 4.06Å; L263-Y422 HydrophobicContact CG-CE1 4.23Å; L263-Y425 HydrophobicContact CD1-CD2 3.39Å; L263-Y425 HydrophobicContact CD1-CE2 3.66Å; L263-Y425 HydrophobicContact CD1-CG 4.39Å
264	H	95.3	Very high	90.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.			trans	-110.5	16.6	-177.8	60.1	-100.6	0	0	0	113.6	L192 V193 T196 D197 T199 V258 P261 R262	L192-H264 PolarHBondContact O-NE2 3.27Å; V193-H264 PolarHBondContact O-CE1 3.01Å; T196-H264 PolarHBondContact O-CE1 3.33Å; T196-H264 PolarHBondContact OG1-CD2 3.31Å; T196-H264 PolarHBondContact OG1-NE2 3.08Å; D197-H264 WeakPolarHBondContact O-CB 3.28Å; T199-H264 PolarHBondContact N-O 2.85Å; V258-H264 HydrophobicContact CG1-CB 3.94Å; V258-H264 HydrophobicContact CG2-CB 3.87Å; P261-H264 PolarHBondContact O-ND1 2.97Å; R262-H264 PolarHBondContact O-N 3.37Å
265	F	96.3	Very high	89.8	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.1	175.5	-61.4	-84.6	0	0	0	110.6	V189 L192 V193 T199 I374 F378 L418	V189-F265 HydrophobicContact CG1-CZ 4.47Å; L192-F265 HydrophobicContact CB-CE1 4.25Å; L192-F265 HydrophobicContact CB-CZ 4.27Å; V193-F265 HydrophobicContact CG2-CE2 3.76Å; V193-F265 HydrophobicContact CG2-CZ 3.72Å; T199-F265 HydrophobicContact CG2-CD1 3.6Å; T199-F265 HydrophobicContact CG2-CE1 3.78Å; T199-F265 CarbonylContact O-C 3.57Å; T199-F265 WeakPolarHBondContact O-CA 3.34Å; F265-I374 HydrophobicContact CB-CG1 4.3Å; F265-F378 HydrophobicContact CB-CE2 4.29Å; F265-F378 HydrophobicContact CB-CZ 4.14Å; F265-F378 AromaticContact CD1-CZ 3.74Å; F265-F378 HydrophobicContact CD1-CZ 3.74Å; F265-F378 HydrophobicContact CD2-CE2 4.17Å; F265-F378 AromaticContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CE1-CZ 4.07Å; F265-F378 HydrophobicContact CE2-CZ 4.19Å; F265-F378 HydrophobicContact CG-CE2 4.12Å; F265-F378 AromaticContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CZ-CZ 4.29Å; F265-L418 HydrophobicContact CD2-CD2 4.13Å; F265-L418 HydrophobicContact CE2-CD1 4.27Å; F265-L418 HydrophobicContact CE2-CD2 3.7Å; F265-L418 HydrophobicContact CZ-CD2 4.39Å
266	F	95.5	Very high	88.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.2	-178	-56.1	-38.4	0	0	0	112.1	E198 T199 Y200 C201 M257 V258 P268 I368 G369 N370	E198-F266 HydrophobicContact CB-CD2 4.38Å; E198-F266 HydrophobicContact CB-CE2 3.68Å; E198-F266 HydrophobicContact CB-CZ 4.42Å; E198-F266 HydrophobicContact CG-CE2 3.69Å; E198-F266 HydrophobicContact CG-CZ 4.14Å; T199-F266 PolarHBondContact O-N 2.66Å; Y200-F266 HydrophobicContact CD1-CB 4.22Å; Y200-F266 HydrophobicContact CD1-CD2 4.11Å; Y200-F266 HydrophobicContact CE1-CB 4.48Å; Y200-F266 AromaticContact CE1-CD2 3.72Å; Y200-F266 HydrophobicContact CE1-CD2 3.72Å; Y200-F266 HydrophobicContact CE2-CD2 4.37Å; Y200-F266 AromaticContact CZ-CD2 3.83Å; C201-F266 WeakPolarHBondContact CB-O 3.46Å; C201-F266 PolarHBondContact N-O 3.46Å; M257-F266 HydrophobicContact CB-CE1 3.79Å; M257-F266 HydrophobicContact CB-CE2 4.33Å; M257-F266 HydrophobicContact CB-CZ 3.48Å; M257-F266 VanDerWaalsContact CB-CZ 3.48Å; M257-F266 HydrophobicContact CE-CD1 4.45Å; M257-F266 HydrophobicContact CE-CE1 4.34Å; M257-F266 HydrophobicContact CG-CZ 4.42Å; V258-F266 HydrophobicContact CG2-CE1 4.12Å; V258-F266 HydrophobicContact CG2-CZ 3.65Å; F266-P268 WeakPolarHBondContact O-CD 3.39Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.49Å; F266-I368 HydrophobicContact CD2-CG2 3.85Å; F266-I368 HydrophobicContact CG-CG2 3.81Å; F266-G369 WeakPolarHBondContact CA-O 3.27Å; F266-N370 HydrophobicContact CD1-CB 3.88Å; F266-N370 HydrophobicContact CE1-CB 3.99Å
267	M	94.1	Very high	87.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	105.6	167.1	-65.1	-179.7	68.1	0	0	108.8	M299 A301 C303 P305 G369 A373 I374	M267-M299 HydrophobicContact CE-CB 4.34Å; M267-M299 HydrophobicContact CE-CG 4.29Å; M267-A301 HydrophobicContact CB-CB 4.39Å; M267-A301 HydrophobicContact CE-CB 4.13Å; M267-A301 HydrophobicContact CG-CB 4.06Å; M267-C303 HydrophobicContact CE-CB 3.6Å; M267-C303 HydrophobicContact SD-CB 4.3Å; M267-P305 HydrophobicContact CE-CG 4.31Å; M267-G369 PolarHBondContact N-O 2.86Å; M267-G369 PolarHBondContact O-N 2.73Å; M267-A373 HydrophobicContact SD-CB 4.43Å; M267-I374 HydrophobicContact CG-CB 4.35Å; M267-I374 HydrophobicContact CG-CD1 3.56Å; M267-I374 HydrophobicContact CG-CG1 4.46Å; M267-I374 HydrophobicContact SD-CB 4.44Å; M267-I374 HydrophobicContact SD-CD1 4.4Å
268	P	94.2	Very high	86.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	151.1	174.1	17.3	-7.8	0	0	0	110.9	C201 I202 T232 F266 M300 F367	C201-P268 WeakPolarHBondContact O-CD 3.34Å; C201-P268 WeakPolarHBondContact O-CG 3.29Å; I202-P268 HydrophobicContact CG1-CG 4.3Å; T232-P268 HydrophobicContact CG2-CB 3.44Å; T232-P268 VanDerWaalsContact CG2-CB 3.44Å; T232-P268 HydrophobicContact CG2-CG 4.24Å; F266-P268 WeakPolarHBondContact O-CD 3.39Å; P268-M300 HydrophobicContact CB-CB 4.39Å; P268-M300 HydrophobicContact CG-CB 4.03Å; P268-M300 WeakPolarHBondContact O-CB 3.49Å; P268-M300 PolarHBondContact O-N 2.77Å; P268-F367 CarbonylContact C-O 3.55Å; P268-F367 WeakPolarHBondContact CA-O 3.37Å
269	G	92.6	Very high	85.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.3	169.7	0	0	0	0	0	110.6	N298 F367	G269-N298 WeakPolarHBondContact CA-O 3.34Å; G269-F367 PolarHBondContact N-O 3.19Å; G269-F367 PolarHBondContact O-N 3.13Å
270	F	91.6	Very high	83.8	Confident	14 Å²	14	43.4 Å²	43.4	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.4	177.1	-174.2	-93.2	0	0	0	110.4	A231 L273 M300 L361 A364	A231-F270 HydrophobicContact CB-CD2 4.31Å; A231-F270 HydrophobicContact CB-CE1 4.4Å; A231-F270 HydrophobicContact CB-CE2 4.16Å; A231-F270 HydrophobicContact CB-CZ 4.21Å; F270-L273 HydrophobicContact CD1-CD2 4.1Å; F270-L273 WeakPolarHBondContact O-CG 3.44Å; F270-M300 HydrophobicContact CB-CE 3.8Å; F270-L361 HydrophobicContact CE1-CD1 4.32Å; F270-L361 HydrophobicContact CZ-CD1 4.14Å; F270-A364 HydrophobicContact CE2-CB 4.18Å; F270-A364 HydrophobicContact CZ-CB 3.91Å
271	A	90.9	Very high	82.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.8	170.7	0	0	0	0	0	109.4	L289 Q292 M293 A364 A365	A271-L289 HydrophobicContact CB-CD2 4.02Å; A271-Q292 HydrophobicContact CB-CB 3.91Å; A271-M293 HydrophobicContact CB-CG 4.08Å; A271-A364 CarbonylContact O-C 3.5Å; A271-A364 VanDerWaalsContact O-CA 3.31Å; A271-A364 WeakPolarHBondContact O-CA 3.3Å; A271-A365 PolarHBondContact N-O 3Å; A271-A365 PolarHBondContact O-N 2.54Å; A271-A365 VanDerWaalsContact O-O 3.11Å
272	P	89	Confident	81.4	Confident	7 Å²	7	50.1 Å²	50.1	5%	0.045	24%	0.236	C	C	.	.			cis	-87.1	145.3	2.5	35.2	-36.2	0	0	0	113.8	T274 L284 L289 L361	P272-T274 HydrophobicContact CB-CG2 4.24Å; P272-L284 HydrophobicContact CB-CD2 3.38Å; P272-L284 HydrophobicContact CG-CD1 4.07Å; P272-L284 HydrophobicContact CG-CD2 3.52Å; P272-L284 HydrophobicContact CG-CG 4.47Å; P272-L289 HydrophobicContact CB-CD2 4.31Å; P272-L289 HydrophobicContact CG-CD2 4.5Å; P272-L361 HydrophobicContact CG-CD1 4.3Å; P272-L361 HydrophobicContact CG-CD2 4.12Å
273	L	83.5	Confident	80	Confident	9 Å²	9	50.6 Å²	50.6	5%	0.047	26%	0.255	C	S	.	.			trans	-105.7	85.8	167.6	-65	171.7	0	0	0	108.6	I210 T214 L228 F270 N298 M300	I210-L273 HydrophobicContact CD1-CD1 4.14Å; I210-L273 HydrophobicContact CG1-CD1 4.43Å; I210-L273 HydrophobicContact CG2-CD1 3.84Å; I210-L273 HydrophobicContact CG2-CD2 4.37Å; T214-L273 HydrophobicContact CG2-CB 4.08Å; L228-L273 HydrophobicContact CD2-CD2 3.51Å; F270-L273 HydrophobicContact CD1-CD2 4.1Å; F270-L273 WeakPolarHBondContact O-CG 3.44Å; L273-N298 HydrophobicContact CD1-CB 4.02Å; L273-M300 HydrophobicContact CD1-CE 4.49Å; L273-M300 HydrophobicContact CD2-CE 4.3Å
274	T	70.8	Confident	79.3	Confident	24 Å²	24	52.8 Å²	52.8	15%	0.147	27%	0.266	C	S	.	.			trans	-113.2	134.8	-179.5	53	0	0	0	0	111.1	P272	P272-T274 HydrophobicContact CB-CG2 4.24Å
275	S	70.8	Confident	79	Confident	20 Å²	20	54.7 Å²	54.7	14%	0.14	28%	0.279	C	S	.	.			trans	-61.5	151.1	170.4	72.9	0	0	0	0	110.8	L215 G277 S278 Q279	L215-S275 VanDerWaalsContact O-CB 3.28Å; L215-S275 WeakPolarHBondContact O-CB 3.49Å; S275-G277 PolarHBondContact O-N 3.04Å; S275-G277 VanDerWaalsContact O-N 3.09Å; S275-S278 PolarHBondContact O-N 3.38Å; S275-S278 WeakPolarHBondContact OG-CB 3.3Å; S275-S278 PolarHBondContact OG-N 3.47Å; S275-S278 PolarHBondContact OG-OG 3.42Å; S275-Q279 PolarHBondContact O-N 2.95Å; S275-Q279 VanDerWaalsContact O-N 3.11Å
276	R	66.2	Low	78.7	Confident	222 Å²	222	54.8 Å²	54.8	84%	0.838	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.3	179.4	-65	-177.2	-178.7	178.9	2.4	113
277	G	62.8	Low	78.5	Confident	55 Å²	55	56.9 Å²	56.9	57%	0.567	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-26.8	178.6	0	0	0	0	0	114.8	S275 Y281	S275-G277 PolarHBondContact O-N 3.04Å; S275-G277 VanDerWaalsContact O-N 3.09Å; G277-Y281 WeakPolarHBondContact O-CD2 3.29Å
278	S	67.9	Low	78.3	Confident	64 Å²	64	59.6 Å²	59.6	45%	0.448	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-12.6	-179.1	-61.1	0	0	0	0	113.5	S275 Q280 Y281 R282	S275-S278 PolarHBondContact O-N 3.38Å; S275-S278 WeakPolarHBondContact OG-CB 3.3Å; S275-S278 PolarHBondContact OG-N 3.47Å; S275-S278 PolarHBondContact OG-OG 3.42Å; S278-Q280 VanDerWaalsContact C-N 3.26Å; S278-Q280 PolarHBondContact O-N 3.27Å; S278-Y281 PolarHBondContact O-N 3.42Å; S278-R282 PolarHBondContact O-N 3Å
279	Q	66.8	Low	78.2	Confident	88 Å²	88	59.6 Å²	59.6	41%	0.411	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.5	-177.3	-166.1	177.6	-0.1	0	0	113.5	S275	S275-Q279 PolarHBondContact O-N 2.95Å; S275-Q279 VanDerWaalsContact O-N 3.11Å
280	Q	61.6	Low	78.1	Confident	173 Å²	173	59.6 Å²	59.6	81%	0.808	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-19.6	-180	-66	-177.5	-1.4	0	0	113.9	S278	S278-Q280 VanDerWaalsContact C-N 3.26Å; S278-Q280 PolarHBondContact O-N 3.27Å
281	Y	64.8	Low	78	Confident	197 Å²	197	66 Å²	66	77%	0.773	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-12.4	-172.1	-61.2	-78.8	0	0	0	113.7	G277 S278	G277-Y281 WeakPolarHBondContact O-CD2 3.29Å; S278-Y281 PolarHBondContact O-N 3.42Å
282	R	67.1	Low	78	Confident	111 Å²	111	66.7 Å²	66.7	42%	0.419	34%	0.34	S	S	.	.			trans	-101.2	118.8	-174.9	-159.2	173.8	-172.5	163.2	8.3	111	S278 L284 E288	S278-R282 PolarHBondContact O-N 3Å; R282-L284 PolarHBondContact O-N 2.91Å; R282-E288 IonicContact CZ-OE2 2.86Å; R282-E288 IonicContact NE-OE2 3.27Å; R282-E288 PolarHBondContact NE-OE2 3.12Å; R282-E288 IonicContact NH2-OE2 2.85Å
283	A	63.8	Low	78	Confident	77 Å²	77	66.4 Å²	66.4	64%	0.636	34%	0.338	S	S	*	.			trans	-77.7	102.1	172	0	0	0	0	0	109.2	S285	A283-S285 PolarHBondContact O-N 2.76Å
284	L	79.5	Confident	78.3	Confident	45 Å²	45	67.3 Å²	67.3	24%	0.236	34%	0.342	C	S	.	.			trans	-64.1	123.6	173.9	-72	157	0	0	0	109.2	P272 R282 L289 M363	P272-L284 HydrophobicContact CB-CD2 3.38Å; P272-L284 HydrophobicContact CG-CD1 4.07Å; P272-L284 HydrophobicContact CG-CD2 3.52Å; P272-L284 HydrophobicContact CG-CG 4.47Å; R282-L284 PolarHBondContact O-N 2.91Å; L284-L289 HydrophobicContact CD2-CD2 4.1Å; L284-M363 VanDerWaalsContact C-CE 3.46Å; L284-M363 HydrophobicContact CB-CE 4Å; L284-M363 WeakPolarHBondContact O-CE 3.4Å
285	S	89.3	Confident	79.2	Confident	40 Å²	40	68.5 Å²	68.5	28%	0.28	35%	0.347	S	S	.	.			trans	-134	160	175.9	66	0	0	0	0	110.2	A283 E288 L289	A283-S285 PolarHBondContact O-N 2.76Å; S285-E288 PolarHBondContact O-N 3.01Å; S285-E288 WeakPolarHBondContact OG-CG 3.32Å; S285-E288 PolarHBondContact OG-N 3.17Å; S285-L289 WeakPolarHBondContact O-CG 3.29Å; S285-L289 PolarHBondContact O-N 3Å
286	V	90.3	Very high	80	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-42.8	179.2	177.8	0	0	0	0	112.2	E288 L289 T290 F317 M321 E325 V326 Q329	V286-E288 PolarHBondContact O-N 3.38Å; V286-L289 PolarHBondContact O-N 3.15Å; V286-T290 WeakPolarHBondContact O-CB 3.34Å; V286-T290 PolarHBondContact O-N 3.25Å; V286-T290 PolarHBondContact O-OG1 3.01Å; V286-F317 HydrophobicContact CG1-CE1 4.31Å; V286-M321 HydrophobicContact CG2-CB 3.95Å; V286-M321 HydrophobicContact CG2-SD 4.06Å; V286-E325 HydrophobicContact CB-CG 4.11Å; V286-E325 HydrophobicContact CG1-CG 4.28Å; V286-V326 HydrophobicContact CG1-CB 4.37Å; V286-V326 HydrophobicContact CG1-CG2 3.75Å; V286-V326 HydrophobicContact CG2-CG2 4.37Å; V286-Q329 HydrophobicContact CG1-CG 4.2Å
287	P	91.6	Very high	80.9	Confident	44 Å²	44	65.1 Å²	65.1	29%	0.286	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-40.7	175	-23.3	33.9	0	0	0	113.1	T290 Q291 Q329	P287-T290 PolarHBondContact O-N 2.93Å; P287-Q291 WeakPolarHBondContact O-CB 3.26Å; P287-Q291 PolarHBondContact O-N 3.39Å; P287-Q329 HydrophobicContact CB-CG 4.25Å; P287-Q329 HydrophobicContact CG-CG 3.97Å
288	E	89.4	Confident	82	Confident	57 Å²	57	62.8 Å²	62.8	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-40.4	177.8	-77.7	-168.6	-155.8	0	0	112.6	R282 S285 V286 T290 Q292	R282-E288 IonicContact CZ-OE2 2.86Å; R282-E288 IonicContact NE-OE2 3.27Å; R282-E288 PolarHBondContact NE-OE2 3.12Å; R282-E288 IonicContact NH2-OE2 2.85Å; S285-E288 PolarHBondContact O-N 3.01Å; S285-E288 WeakPolarHBondContact OG-CG 3.32Å; S285-E288 PolarHBondContact OG-N 3.17Å; V286-E288 PolarHBondContact O-N 3.38Å; E288-T290 VanDerWaalsContact C-N 3.35Å; E288-Q292 WeakPolarHBondContact O-CB 3.44Å; E288-Q292 WeakPolarHBondContact O-CG 3.49Å; E288-Q292 PolarHBondContact O-N 3.2Å
289	L	91.3	Very high	83	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-46	174.6	-71.8	174.3	0	0	0	110.4	A271 P272 L284 S285 V286 Q291 Q292 M293 F317 M363 A365	A271-L289 HydrophobicContact CB-CD2 4.02Å; P272-L289 HydrophobicContact CB-CD2 4.31Å; P272-L289 HydrophobicContact CG-CD2 4.5Å; L284-L289 HydrophobicContact CD2-CD2 4.1Å; S285-L289 WeakPolarHBondContact O-CG 3.29Å; S285-L289 PolarHBondContact O-N 3Å; V286-L289 PolarHBondContact O-N 3.15Å; L289-Q291 PolarHBondContact O-N 3.26Å; L289-Q292 PolarHBondContact O-N 3.41Å; L289-M293 WeakPolarHBondContact O-CG 3.38Å; L289-M293 PolarHBondContact O-N 2.85Å; L289-F317 HydrophobicContact CB-CE1 4.32Å; L289-M363 HydrophobicContact CD1-CB 3.85Å; L289-A365 HydrophobicContact CB-CB 4.18Å
290	T	91.5	Very high	84.1	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-45.9	179.1	-52.8	0	0	0	0	111.2	V286 P287 E288 Q292 M293 F294 Q329 M330 V333	V286-T290 WeakPolarHBondContact O-CB 3.34Å; V286-T290 PolarHBondContact O-N 3.25Å; V286-T290 PolarHBondContact O-OG1 3.01Å; P287-T290 PolarHBondContact O-N 2.93Å; E288-T290 VanDerWaalsContact C-N 3.35Å; T290-Q292 VanDerWaalsContact C-N 3.34Å; T290-Q292 PolarHBondContact O-N 3.21Å; T290-M293 HydrophobicContact CG2-CE 4.48Å; T290-M293 PolarHBondContact O-N 3.43Å; T290-F294 HydrophobicContact CG2-CD2 4.5Å; T290-F294 HydrophobicContact CG2-CE2 4.48Å; T290-F294 WeakPolarHBondContact O-CD2 3.31Å; T290-F294 PolarHBondContact O-N 2.91Å; T290-Q329 HydrophobicContact CG2-CB 4.14Å; T290-M330 HydrophobicContact CG2-SD 3.73Å; T290-V333 HydrophobicContact CG2-CG2 3.69Å
291	Q	89.6	Confident	85.4	Confident	148 Å²	148	47.6 Å²	47.6	69%	0.692	24%	0.238	S	C	*	.	H	α-helix	trans	-64.1	-39.4	177.7	-171.5	177.7	10.9	0	0	112.4	P287 L289 D295	P287-Q291 WeakPolarHBondContact O-CB 3.26Å; P287-Q291 PolarHBondContact O-N 3.39Å; L289-Q291 PolarHBondContact O-N 3.26Å; Q291-D295 PolarHBondContact O-N 2.94Å
292	Q	89.6	Confident	86.5	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.065	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-37.3	177.7	-83.6	-177.2	54.9	0	0	112.9	A271 E288 L289 T290 F294 D295 N298	A271-Q292 HydrophobicContact CB-CB 3.91Å; E288-Q292 WeakPolarHBondContact O-CB 3.44Å; E288-Q292 WeakPolarHBondContact O-CG 3.49Å; E288-Q292 PolarHBondContact O-N 3.2Å; L289-Q292 PolarHBondContact O-N 3.41Å; T290-Q292 VanDerWaalsContact C-N 3.34Å; T290-Q292 PolarHBondContact O-N 3.21Å; Q292-F294 VanDerWaalsContact C-N 3.27Å; Q292-F294 PolarHBondContact O-N 2.99Å; Q292-D295 PolarHBondContact O-N 3.34Å; Q292-D295 VanDerWaalsContact O-N 3.17Å; Q292-N298 VanDerWaalsContact O-CB 3.25Å; Q292-N298 WeakPolarHBondContact O-CB 3.46Å; Q292-N298 PolarHBondContact O-ND2 2.93Å
293	M	90.1	Very high	87.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-37.3	178.4	-78.4	-167.3	-61.4	0	0	112.8	A271 L289 T290 M299 A315 F317 M330 A365 F367	A271-M293 HydrophobicContact CB-CG 4.08Å; L289-M293 WeakPolarHBondContact O-CG 3.38Å; L289-M293 PolarHBondContact O-N 2.85Å; T290-M293 HydrophobicContact CG2-CE 4.48Å; T290-M293 PolarHBondContact O-N 3.43Å; M293-M299 WeakPolarHBondContact O-CE 3.26Å; M293-A315 HydrophobicContact CE-CB 4.11Å; M293-A315 HydrophobicContact SD-CB 4.19Å; M293-F317 HydrophobicContact CE-CE1 3.86Å; M293-F317 HydrophobicContact CE-CE2 3.81Å; M293-F317 HydrophobicContact CE-CZ 3.25Å; M293-F317 HydrophobicContact SD-CZ 4.46Å; M293-M330 HydrophobicContact CE-SD 4.08Å; M293-A365 HydrophobicContact CE-CB 4.06Å; M293-A365 HydrophobicContact CG-CB 3.91Å; M293-A365 HydrophobicContact SD-CB 3.35Å; M293-A365 WeakPolarHBondContact SD-CB 3.41Å; M293-F367 HydrophobicContact CB-CB 4.18Å; M293-F367 HydrophobicContact CB-CD2 4.32Å; M293-F367 HydrophobicContact CG-CB 4.22Å; M293-F367 HydrophobicContact SD-CB 4.21Å
294	F	89.4	Confident	88.7	Confident	29 Å²	29	33.5 Å²	33.5	13%	0.127	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.7	179.2	-72.5	-85.7	0	0	0	113.5	T290 Q292 Y310 V313 M330 V333 F341 F367	T290-F294 HydrophobicContact CG2-CD2 4.5Å; T290-F294 HydrophobicContact CG2-CE2 4.48Å; T290-F294 WeakPolarHBondContact O-CD2 3.31Å; T290-F294 PolarHBondContact O-N 2.91Å; Q292-F294 VanDerWaalsContact C-N 3.27Å; Q292-F294 PolarHBondContact O-N 2.99Å; F294-Y310 HydrophobicContact CD1-CE2 4.09Å; F294-Y310 HydrophobicContact CE1-CE2 4.18Å; F294-V313 HydrophobicContact CZ-CG1 4.25Å; F294-M330 HydrophobicContact CE2-CE 3.85Å; F294-M330 HydrophobicContact CE2-SD 4.09Å; F294-M330 HydrophobicContact CZ-CE 3.94Å; F294-V333 HydrophobicContact CD1-CG1 4.24Å; F294-V333 HydrophobicContact CD2-CG1 3.78Å; F294-V333 HydrophobicContact CD2-CG2 4.47Å; F294-V333 HydrophobicContact CE1-CG1 4.25Å; F294-V333 HydrophobicContact CE2-CB 4.43Å; F294-V333 HydrophobicContact CE2-CG1 3.81Å; F294-V333 HydrophobicContact CG-CG1 4Å; F294-V333 HydrophobicContact CZ-CG1 4.04Å; F294-F341 HydrophobicContact CE1-CE1 4.25Å; F294-F341 AromaticContact CE1-CZ 3.75Å; F294-F341 HydrophobicContact CE1-CZ 3.75Å; F294-F341 HydrophobicContact CZ-CZ 4.19Å; F294-F367 HydrophobicContact CD1-CE2 4.07Å; F294-F367 AromaticContact CE1-CE2 3.66Å; F294-F367 HydrophobicContact CE1-CE2 3.66Å; F294-F367 HydrophobicContact CE1-CZ 4.27Å; F294-F367 HydrophobicContact CE2-CE2 4.47Å; F294-F367 AromaticContact CZ-CE2 3.89Å; F294-F367 HydrophobicContact CZ-CE2 3.89Å
295	D	89.6	Confident	89.1	Confident	49 Å²	49	31.6 Å²	31.6	26%	0.262	17%	0.169	S	C	.	.			trans	-79.9	130.8	173.3	-166.3	1.1	0	0	0	109.8	Q291 Q292 K297 N298	Q291-D295 PolarHBondContact O-N 2.94Å; Q292-D295 PolarHBondContact O-N 3.34Å; Q292-D295 VanDerWaalsContact O-N 3.17Å; D295-K297 PolarHBondContact O-N 2.81Å; D295-K297 VanDerWaalsContact O-N 3.08Å; D295-K297 PolarHBondContact OD1-N 3.41Å; D295-N298 PolarHBondContact O-N 2.95Å
296	A	86.9	Confident	89.1	Confident	28 Å²	28	36.8 Å²	36.8	23%	0.231	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-56.8	-28.4	178.1	0	0	0	0	0	112	N298 M299	A296-N298 PolarHBondContact O-N 3.45Å; A296-M299 PolarHBondContact O-N 2.79Å
297	K	85.4	Confident	89.2	Confident	142 Å²	142	41.9 Å²	41.9	62%	0.617	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-70.6	-15.8	179	-63.7	175.7	-174.6	167	0	114.5	I210 D295	I210-K297 VanDerWaalsContact CG1-O 3.29Å; I210-K297 WeakPolarHBondContact CG1-O 3.26Å; D295-K297 PolarHBondContact O-N 2.81Å; D295-K297 VanDerWaalsContact O-N 3.08Å; D295-K297 PolarHBondContact OD1-N 3.41Å
298	N	85.6	Confident	89.1	Confident	7 Å²	7	40 Å²	40	4%	0.037	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-103.7	0.2	-177.5	-75.4	32.4	0	0	0	112.4	G269 L273 Q292 D295 A296	G269-N298 WeakPolarHBondContact CA-O 3.34Å; L273-N298 HydrophobicContact CD1-CB 4.02Å; Q292-N298 VanDerWaalsContact O-CB 3.25Å; Q292-N298 WeakPolarHBondContact O-CB 3.46Å; Q292-N298 PolarHBondContact O-ND2 2.93Å; D295-N298 PolarHBondContact O-N 2.95Å; A296-N298 PolarHBondContact O-N 3.45Å
299	M	89.7	Confident	89.3	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-75	135.8	174.9	-63.2	-59.8	169.2	0	0	110	I210 M267 M293 A296 P305 F367	I210-M299 WeakPolarHBondContact CD1-O 3.36Å; M267-M299 HydrophobicContact CE-CB 4.34Å; M267-M299 HydrophobicContact CE-CG 4.29Å; M293-M299 WeakPolarHBondContact O-CE 3.26Å; A296-M299 PolarHBondContact O-N 2.79Å; M299-P305 HydrophobicContact CE-CG 3.86Å; M299-P305 HydrophobicContact CG-CG 3.86Å; M299-P305 HydrophobicContact SD-CG 4.45Å; M299-F367 HydrophobicContact CE-CD1 3.72Å; M299-F367 HydrophobicContact CE-CE1 3.5Å; M299-F367 VanDerWaalsContact CE-CE1 3.5Å; M299-F367 HydrophobicContact CE-CG 4.47Å; M299-F367 HydrophobicContact CE-CZ 4.08Å; M299-F367 HydrophobicContact SD-CD1 3.78Å; M299-F367 HydrophobicContact SD-CE1 3.84Å
300	M	89.6	Confident	89.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-85.2	0.3	176.1	-58.6	-65.1	-179.2	0	0	112	D203 L207 I210 L228 P268 F270 L273	D203-M300 PolarHBondContact N-O 3.3Å; L207-M300 HydrophobicContact CD2-SD 3.4Å; L207-M300 WeakPolarHBondContact CD2-SD 3.41Å; I210-M300 HydrophobicContact CD1-CE 4.34Å; I210-M300 HydrophobicContact CD1-SD 3.66Å; L228-M300 HydrophobicContact CB-CE 4.05Å; L228-M300 HydrophobicContact CB-SD 4.37Å; L228-M300 HydrophobicContact CD2-CE 4.35Å; P268-M300 HydrophobicContact CB-CB 4.39Å; P268-M300 HydrophobicContact CG-CB 4.03Å; P268-M300 WeakPolarHBondContact O-CB 3.49Å; P268-M300 PolarHBondContact O-N 2.77Å; F270-M300 HydrophobicContact CB-CE 3.8Å; L273-M300 HydrophobicContact CD1-CE 4.49Å; L273-M300 HydrophobicContact CD2-CE 4.3Å
301	A	89.6	Confident	89.6	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	20%	0.196	C	C	.	.	S	Bend	trans	-113.2	135.3	168.9	0	0	0	0	0	108.8	M267 C303 I374 L377	M267-A301 HydrophobicContact CB-CB 4.39Å; M267-A301 HydrophobicContact CE-CB 4.13Å; M267-A301 HydrophobicContact CG-CB 4.06Å; A301-C303 PolarHBondContact O-N 2.86Å; A301-I374 HydrophobicContact CB-CD1 4.19Å; A301-L377 HydrophobicContact CB-CD1 4.41Å
302	A	88.2	Confident	89.8	Confident	36 Å²	36	34.3 Å²	34.3	30%	0.298	17%	0.165	S	C	.	.	S	Bend	trans	-80.8	66.4	-176.3	0	0	0	0	0	111.2	D203 E205 A206	D203-A302 WeakPolarHBondContact OD2-CB 3.43Å; D203-A302 PolarHBondContact OD2-N 3.1Å; E205-A302 HydrophobicContact CB-CB 4.11Å; E205-A302 HydrophobicContact CG-CB 4.39Å; A206-A302 HydrophobicContact CB-CB 4.04Å
303	C	87.7	Confident	90.1	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.054	16%	0.162	C	C	.	.	S	Bend	trans	-132.1	146.3	173.1	-40.6	0	0	0	0	108.8	M267 A301 P305 A373 E376	M267-C303 HydrophobicContact CE-CB 3.6Å; M267-C303 HydrophobicContact SD-CB 4.3Å; A301-C303 PolarHBondContact O-N 2.86Å; C303-P305 VanDerWaalsContact O-CD 3.31Å; C303-P305 WeakPolarHBondContact O-CD 3.46Å; C303-A373 HydrophobicContact CB-CB 4.33Å; C303-A373 WeakPolarHBondContact CB-O 3.29Å; C303-E376 VanDerWaalsContact CA-OE2 3.29Å; C303-E376 WeakPolarHBondContact CA-OE2 3.49Å; C303-E376 HydrophobicContact CB-CB 4.23Å
304	D	88.7	Confident	90.1	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	16%	0.164	C	C	.	.			trans	-86	113.2	170.8	-167.5	-24.3	0	0	0	109.2	R306 H307 A373 E376	D304-R306 PolarHBondContact O-N 3.07Å; D304-R306 VanDerWaalsContact OD1-CB 3.26Å; D304-R306 WeakPolarHBondContact OD1-CB 3.17Å; D304-R306 VanDerWaalsContact OD1-CG 3.31Å; D304-R306 WeakPolarHBondContact OD1-CG 3.44Å; D304-R306 PolarHBondContact OD1-N 2.94Å; D304-H307 PolarHBondContact O-N 2.95Å; D304-A373 WeakPolarHBondContact O-CB 3.49Å; D304-E376 PolarHBondContact N-OE2 3.38Å
305	P	88.5	Confident	90.2	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.039	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-61.6	-15.9	-180	-18.4	30.9	0	0	0	113.7	M267 M299 C303 H307 G308 Y310	M267-P305 HydrophobicContact CE-CG 4.31Å; M299-P305 HydrophobicContact CE-CG 3.86Å; M299-P305 HydrophobicContact CG-CG 3.86Å; M299-P305 HydrophobicContact SD-CG 4.45Å; C303-P305 VanDerWaalsContact O-CD 3.31Å; C303-P305 WeakPolarHBondContact O-CD 3.46Å; P305-H307 VanDerWaalsContact C-N 3.31Å; P305-G308 PolarHBondContact O-N 3.1Å; P305-Y310 HydrophobicContact CB-CE1 4.31Å; P305-Y310 HydrophobicContact CB-CE2 4.23Å; P305-Y310 WeakPolarHBondContact CB-OH 3.4Å
306	R	89.1	Confident	90.3	Very high	149 Å²	149	30.5 Å²	30.5	56%	0.562	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-76	-17.8	176.8	-59.6	172.4	-177.6	-177.9	3.1	113.2	D304 Y340	D304-R306 PolarHBondContact O-N 3.07Å; D304-R306 VanDerWaalsContact OD1-CB 3.26Å; D304-R306 WeakPolarHBondContact OD1-CB 3.17Å; D304-R306 VanDerWaalsContact OD1-CG 3.31Å; D304-R306 WeakPolarHBondContact OD1-CG 3.44Å; D304-R306 PolarHBondContact OD1-N 2.94Å; R306-Y340 HydrophobicContact CB-CE1 3.99Å; R306-Y340 HydrophobicContact CG-CE1 4.45Å; R306-Y340 WeakPolarHBondContact O-CE1 3.29Å
307	H	91.1	Very high	90.5	Very high	111 Å²	111	29.2 Å²	29.2	51%	0.514	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-81.8	-6	175.2	-65.1	165.9	0	0	0	112.9	D304 P305 E376 Q426	D304-H307 PolarHBondContact O-N 2.95Å; P305-H307 VanDerWaalsContact C-N 3.31Å; H307-E376 IonicContact CE1-OE1 2.76Å; H307-E376 IonicContact CG-OE1 4Å; H307-E376 IonicContact ND1-OE1 3.78Å; H307-E376 PolarHBondContact ND1-OE1 3.45Å; H307-Q426 PolarHBondContact O-NE2 3.24Å
308	G	91.3	Very high	90.8	Very high	4 Å²	4	22.5 Å²	22.5	4%	0.041	11%	0.107	C	C	.	.	S	Bend	trans	-133.6	-166.2	177.3	0	0	0	0	0	112.9	P305 T372	P305-G308 PolarHBondContact O-N 3.1Å; G308-T372 VanDerWaalsContact CA-OG1 3.3Å; G308-T372 WeakPolarHBondContact CA-OG1 3.39Å
309	R	93.8	Very high	90.9	Very high	74 Å²	74	22.2 Å²	22.2	28%	0.279	11%	0.106	S	C	.	.			trans	-123.6	145.4	174.7	-65.8	-178.9	173.2	170.2	-2.2	109.7	S339 Y340 V342 S371 T372 Q426 A428	R309-S339 PolarHBondContact NE-O 3.24Å; R309-Y340 CarbonylContact C-O 3.51Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.48Å; R309-V342 HydrophobicContact CB-CG1 3.92Å; R309-S371 WeakPolarHBondContact O-CA 3.38Å; R309-S371 PolarHBondContact O-OG 3.11Å; R309-T372 PolarHBondContact N-OG1 3.21Å; R309-T372 PolarHBondContact O-N 2.68Å; R309-T372 PolarHBondContact O-OG1 3Å; R309-Q426 PolarHBondContact NH1-O 3.31Å; R309-A428 PolarHBondContact NH1-O 2.93Å
310	Y	94.6	Very high	90.7	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.1	171.4	-69.7	-68.7	0	0	0	109.6	F294 P305 V313 Y340 F341 V342 N348 F367	F294-Y310 HydrophobicContact CD1-CE2 4.09Å; F294-Y310 HydrophobicContact CE1-CE2 4.18Å; P305-Y310 HydrophobicContact CB-CE1 4.31Å; P305-Y310 HydrophobicContact CB-CE2 4.23Å; P305-Y310 WeakPolarHBondContact CB-OH 3.4Å; Y310-V313 HydrophobicContact CD1-CG2 3.72Å; Y310-V313 HydrophobicContact CD2-CG2 4.43Å; Y310-V313 HydrophobicContact CE1-CG2 4.39Å; Y310-V313 HydrophobicContact CG-CG2 3.74Å; Y310-Y340 PolarHBondContact N-O 3.22Å; Y310-F341 HydrophobicContact CD2-CD1 4.29Å; Y310-F341 AromaticContact CD2-CE1 3.97Å; Y310-F341 HydrophobicContact CD2-CE1 3.97Å; Y310-F341 HydrophobicContact CD2-CZ 4.22Å; Y310-F341 HydrophobicContact CG-CD1 4.47Å; Y310-F341 HydrophobicContact CG-CE1 4.32Å; Y310-V342 WeakPolarHBondContact O-CG2 3.43Å; Y310-V342 PolarHBondContact O-N 3.08Å; Y310-N348 PolarHBondContact O-ND2 3.44Å; Y310-F367 HydrophobicContact CD1-CZ 4.28Å; Y310-F367 HydrophobicContact CE1-CE1 4.03Å; Y310-F367 AromaticContact CE1-CZ 3.51Å; Y310-F367 HydrophobicContact CE1-CZ 3.51Å; Y310-F367 AromaticContact CZ-CZ 3.75Å
311	L	94.1	Very high	90.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-55.6	167.4	-60.1	-178.4	0	0	0	108.9	P259 L263 V342 W344 I345 N348 N370 T372	P259-L311 HydrophobicContact CG-CB 4.28Å; P259-L311 HydrophobicContact CG-CD1 4.22Å; L263-L311 HydrophobicContact CD1-CD1 4.11Å; L311-V342 HydrophobicContact CD2-CG1 3.82Å; L311-V342 HydrophobicContact CD2-CG2 4.41Å; L311-W344 HydrophobicContact CD2-CH2 4.25Å; L311-W344 HydrophobicContact CD2-CZ2 3.83Å; L311-I345 HydrophobicContact CB-CD1 4.5Å; L311-N348 VanDerWaalsContact O-CB 3.22Å; L311-N348 WeakPolarHBondContact O-CB 3.3Å; L311-N348 PolarHBondContact O-ND2 2.85Å; L311-N370 HydrophobicContact CB-CB 4.39Å; L311-N370 PolarHBondContact N-O 3.02Å; L311-T372 HydrophobicContact CD2-CG2 4.19Å; L311-T372 HydrophobicContact CG-CG2 4.32Å
312	T	94.1	Very high	90.6	Very high	4 Å²	4	37 Å²	37	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.6	-179.7	62.3	0	0	0	0	110.1	N256 M257 I345 N348 N370	N256-T312 WeakPolarHBondContact O-CG2 3.38Å; M257-T312 WeakPolarHBondContact CA-OG1 3.47Å; M257-T312 PolarHBondContact O-OG1 3.48Å; T312-I345 HydrophobicContact CG2-CD1 4.36Å; T312-N348 WeakPolarHBondContact CA-O 3.47Å; T312-N370 PolarHBondContact N-O 2.93Å; T312-N370 PolarHBondContact O-N 3.45Å; T312-N370 WeakPolarHBondContact OG1-CB 3.49Å
313	V	94.1	Very high	90.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.1	177.9	173.7	0	0	0	0	109.4	F294 Y310 F341 N348 V349 K350 F367 I368	F294-V313 HydrophobicContact CZ-CG1 4.25Å; Y310-V313 HydrophobicContact CD1-CG2 3.72Å; Y310-V313 HydrophobicContact CD2-CG2 4.43Å; Y310-V313 HydrophobicContact CE1-CG2 4.39Å; Y310-V313 HydrophobicContact CG-CG2 3.74Å; V313-F341 HydrophobicContact CG2-CE1 4.01Å; V313-N348 PolarHBondContact N-O 3.34Å; V313-V349 HydrophobicContact CB-CB 4.46Å; V313-V349 HydrophobicContact CB-CG1 4.24Å; V313-V349 HydrophobicContact CB-CG2 4.15Å; V313-V349 HydrophobicContact CG1-CG1 4.17Å; V313-V349 CarbonylContact O-C 3.56Å; V313-V349 WeakPolarHBondContact O-CA 3.39Å; V313-K350 PolarHBondContact O-N 2.98Å; V313-F367 HydrophobicContact CB-CE2 4.41Å; V313-F367 HydrophobicContact CG1-CD2 3.97Å; V313-F367 HydrophobicContact CG1-CE2 3.33Å; V313-F367 HydrophobicContact CG1-CZ 4.02Å; V313-F367 HydrophobicContact CG2-CE2 4.22Å; V313-F367 HydrophobicContact CG2-CZ 4.18Å; V313-I368 WeakPolarHBondContact CA-O 3.32Å
314	A	91.4	Very high	90.6	Very high	6 Å²	6	44.7 Å²	44.7	5%	0.05	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.5	164.2	0	0	0	0	0	110.2	L253 M257 K350 I368	L253-A314 HydrophobicContact CD1-CB 4.37Å; M257-A314 HydrophobicContact CE-CB 4.21Å; M257-A314 HydrophobicContact CG-CB 4.46Å; M257-A314 HydrophobicContact SD-CB 3.53Å; M257-A314 VanDerWaalsContact SD-CB 3.53Å; A314-K350 CarbonylContact C-O 3.51Å; A314-K350 WeakPolarHBondContact CA-O 3.08Å; A314-I368 HydrophobicContact CB-CB 4.26Å; A314-I368 HydrophobicContact CB-CD1 4.47Å; A314-I368 PolarHBondContact N-O 3.29Å; A314-I368 PolarHBondContact O-N 2.89Å
315	A	91.7	Very high	90.8	Very high	1 Å²	1	46 Å²	46	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.9	174.4	0	0	0	0	0	109.7	M293 F317 M330 K350 T351 A352 T366	M293-A315 HydrophobicContact CE-CB 4.11Å; M293-A315 HydrophobicContact SD-CB 4.19Å; A315-F317 HydrophobicContact CB-CD2 4.34Å; A315-F317 HydrophobicContact CB-CE2 3.84Å; A315-M330 HydrophobicContact CB-CE 3.9Å; A315-M330 HydrophobicContact CB-SD 4.34Å; A315-K350 PolarHBondContact N-O 3.41Å; A315-T351 CarbonylContact O-C 3.59Å; A315-T351 WeakPolarHBondContact O-CA 3.4Å; A315-A352 PolarHBondContact O-N 3.08Å; A315-T366 CarbonylContact C-O 3.57Å; A315-T366 WeakPolarHBondContact CA-O 3.32Å
316	V	91.3	Very high	90.9	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	103.7	178.5	-174.6	0	0	0	0	108.9	T238 A352 A365 T366	T238-V316 HydrophobicContact CG2-CG1 4.3Å; V316-A352 CarbonylContact C-O 3.55Å; V316-A352 HydrophobicContact CG2-CB 4.41Å; V316-A365 CarbonylContact O-C 3.52Å; V316-A365 WeakPolarHBondContact O-CA 3.28Å; V316-T366 PolarHBondContact N-O 3.26Å; V316-T366 PolarHBondContact O-N 2.94Å
317	F	91.8	Very high	90.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.1	174.5	-70.7	-95.6	0	0	0	110.9	V286 L289 M293 A315 M321 V326 M330 A352 V353 C354 A365	V286-F317 HydrophobicContact CG1-CE1 4.31Å; L289-F317 HydrophobicContact CB-CE1 4.32Å; M293-F317 HydrophobicContact CE-CE1 3.86Å; M293-F317 HydrophobicContact CE-CE2 3.81Å; M293-F317 HydrophobicContact CE-CZ 3.25Å; M293-F317 HydrophobicContact SD-CZ 4.46Å; A315-F317 HydrophobicContact CB-CD2 4.34Å; A315-F317 HydrophobicContact CB-CE2 3.84Å; F317-M321 HydrophobicContact CB-CE 3.79Å; F317-M321 HydrophobicContact CB-SD 3.53Å; F317-M321 VanDerWaalsContact CB-SD 3.53Å; F317-M321 HydrophobicContact CD1-CE 4.3Å; F317-M321 HydrophobicContact CD1-SD 3.71Å; F317-M321 HydrophobicContact CG-SD 3.91Å; F317-V326 HydrophobicContact CD1-CG2 4.38Å; F317-V326 HydrophobicContact CD2-CG1 3.6Å; F317-V326 HydrophobicContact CE2-CG1 3.48Å; F317-V326 VanDerWaalsContact CE2-CG1 3.48Å; F317-V326 HydrophobicContact CG-CG1 4.19Å; F317-V326 HydrophobicContact CG-CG2 4.35Å; F317-V326 HydrophobicContact CZ-CG1 3.97Å; F317-M330 HydrophobicContact CE2-CG 4.29Å; F317-M330 HydrophobicContact CE2-SD 4.13Å; F317-M330 HydrophobicContact CZ-CG 4.46Å; F317-M330 HydrophobicContact CZ-SD 4.12Å; F317-A352 PolarHBondContact N-O 2.98Å; F317-V353 HydrophobicContact CB-CG2 4.33Å; F317-V353 CarbonylContact O-C 3.5Å; F317-V353 WeakPolarHBondContact O-CA 3.27Å; F317-C354 PolarHBondContact O-N 3.29Å; F317-A365 HydrophobicContact CD1-CB 3.7Å; F317-A365 HydrophobicContact CE1-CB 3.84Å; F317-A365 HydrophobicContact CG-CB 4.27Å; F317-A365 HydrophobicContact CZ-CB 4.5Å
318	R	90.2	Very high	91	Very high	2 Å²	2	42 Å²	42	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.9	-179	-60.6	-173.5	66.6	179.5	-1.1	110.8	E27 S234 T238 M321 C354 I356 M363 A364	E27-R318 IonicContact OE1-CZ 3.25Å; E27-R318 IonicContact OE1-NH1 2.83Å; E27-R318 PolarHBondContact OE1-NH1 3.03Å; E27-R318 IonicContact OE1-NH2 2.81Å; E27-R318 PolarHBondContact OE1-NH2 3Å; E27-R318 IonicContact OE2-CZ 2.69Å; E27-R318 IonicContact OE2-NH1 2.75Å; E27-R318 PolarHBondContact OE2-NH1 3.22Å; E27-R318 IonicContact OE2-NH2 3.67Å; E27-R318 PolarHBondContact OE2-NH2 2.82Å; S234-R318 PolarHBondContact OG-NH1 3.19Å; T238-R318 HydrophobicContact CG2-CG 3.95Å; T238-R318 VanDerWaalsContact OG1-CD 3.31Å; T238-R318 WeakPolarHBondContact OG1-CD 3.34Å; T238-R318 PolarHBondContact OG1-NE 3.14Å; T238-R318 PolarHBondContact OG1-NH1 3.01Å; R318-M321 VanDerWaalsContact O-CE 3.24Å; R318-M321 WeakPolarHBondContact O-CE 3.09Å; R318-C354 CarbonylContact C-O 3.49Å; R318-C354 VanDerWaalsContact CA-O 3.31Å; R318-C354 WeakPolarHBondContact CA-O 3.32Å; R318-C354 HydrophobicContact CG-CB 4.44Å; R318-I356 PolarHBondContact NE-O 3.05Å; R318-I356 VanDerWaalsContact NE-O 3.14Å; R318-I356 PolarHBondContact NH2-O 3.29Å; R318-M363 CarbonylContact O-C 3.57Å; R318-M363 WeakPolarHBondContact O-CA 3.06Å; R318-A364 HydrophobicContact CB-CB 4.47Å; R318-A364 PolarHBondContact N-O 3.45Å; R318-A364 PolarHBondContact O-N 3.04Å
319	G	88.1	Confident	91.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	106.2	168.8	-178.4	0	0	0	0	0	113.1	M321 C354	G319-M321 WeakPolarHBondContact O-CE 3.49Å; G319-M321 PolarHBondContact O-N 3.2Å; G319-M321 VanDerWaalsContact O-N 3.14Å; G319-C354 PolarHBondContact N-O 3.21Å
320	R	85.6	Confident	91	Very high	224 Å²	224	40.4 Å²	40.4	85%	0.845	19%	0.189	S	C	*	.	S	Bend	trans	-72.5	107.8	-176.9	-63.4	-176.8	-174.6	-174.4	1.1	110.6
321	M	88.1	Confident	90.8	Very high	30 Å²	30	44.5 Å²	44.5	15%	0.148	21%	0.211	C	C	.	.			trans	-144.9	162.2	178.8	64.7	-170.6	81.4	0	0	112.2	V286 F317 R318 G319 V326 V353 M363	V286-M321 HydrophobicContact CG2-CB 3.95Å; V286-M321 HydrophobicContact CG2-SD 4.06Å; F317-M321 HydrophobicContact CB-CE 3.79Å; F317-M321 HydrophobicContact CB-SD 3.53Å; F317-M321 VanDerWaalsContact CB-SD 3.53Å; F317-M321 HydrophobicContact CD1-CE 4.3Å; F317-M321 HydrophobicContact CD1-SD 3.71Å; F317-M321 HydrophobicContact CG-SD 3.91Å; R318-M321 VanDerWaalsContact O-CE 3.24Å; R318-M321 WeakPolarHBondContact O-CE 3.09Å; G319-M321 WeakPolarHBondContact O-CE 3.49Å; G319-M321 PolarHBondContact O-N 3.2Å; G319-M321 VanDerWaalsContact O-N 3.14Å; M321-V326 HydrophobicContact CG-CG2 3.93Å; M321-V326 HydrophobicContact SD-CG2 3.54Å; M321-V326 VanDerWaalsContact SD-CG2 3.54Å; M321-V353 HydrophobicContact CG-CG1 3.99Å; M321-M363 HydrophobicContact CB-SD 4.47Å; M321-M363 HydrophobicContact CE-CB 4.41Å; M321-M363 HydrophobicContact CE-CG 4.32Å; M321-M363 HydrophobicContact CE-SD 4.47Å
322	S	88.6	Confident	90.8	Very high	63 Å²	63	47.3 Å²	47.3	44%	0.441	23%	0.226	S	C	.	.			trans	-79.3	119.8	177.1	179.3	0	0	0	0	110.3	K324 E325 V326	S322-K324 PolarHBondContact O-N 2.97Å; S322-E325 WeakPolarHBondContact O-CB 3.46Å; S322-E325 PolarHBondContact O-N 3.49Å; S322-V326 PolarHBondContact O-N 2.96Å; S322-V326 VanDerWaalsContact O-N 3.1Å
323	M	86.3	Confident	90.6	Very high	62 Å²	62	48 Å²	48	31%	0.305	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-38.7	176.4	-70.4	169.1	-173.6	0	0	112.2	Q245 E325 V326 D327 V353	Q245-M323 HydrophobicContact CG-CE 4.01Å; Q245-M323 PolarHBondContact OE1-SD 3.39Å; M323-E325 PolarHBondContact O-N 3.09Å; M323-V326 WeakPolarHBondContact O-CB 3.48Å; M323-V326 PolarHBondContact O-N 3.37Å; M323-V326 VanDerWaalsContact O-N 3.14Å; M323-D327 PolarHBondContact O-N 2.74Å; M323-V353 HydrophobicContact CE-CB 4.3Å; M323-V353 HydrophobicContact CG-CG2 4.21Å
324	K	90.4	Very high	90.4	Very high	143 Å²	143	50 Å²	50	62%	0.622	24%	0.24	S	C	*	.	H	α-helix	trans	-57.2	-41.5	175.5	179.2	178.1	171.3	-179.6	0	111.7	S322 E328	S322-K324 PolarHBondContact O-N 2.97Å; K324-E328 WeakPolarHBondContact CE-OE1 3.48Å; K324-E328 IonicContact NZ-OE1 3.81Å; K324-E328 WeakPolarHBondContact O-CB 3.47Å; K324-E328 VanDerWaalsContact O-CG 3.24Å; K324-E328 WeakPolarHBondContact O-CG 3.32Å; K324-E328 PolarHBondContact O-N 3.08Å
325	E	92.1	Very high	90.4	Very high	72 Å²	72	55 Å²	55	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-69.4	-39.9	178.9	-170.7	179.8	-178.3	0	0	111.2	V286 S322 M323 E328 Q329	V286-E325 HydrophobicContact CB-CG 4.11Å; V286-E325 HydrophobicContact CG1-CG 4.28Å; S322-E325 WeakPolarHBondContact O-CB 3.46Å; S322-E325 PolarHBondContact O-N 3.49Å; M323-E325 PolarHBondContact O-N 3.09Å; E325-E328 PolarHBondContact O-N 3.37Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.34Å; E325-Q329 PolarHBondContact O-N 3.45Å
326	V	90.6	Very high	90.4	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-49.7	174.7	173.8	0	0	0	0	110.8	V286 F317 M321 S322 M323 E328 Q329 M330 T351 V353	V286-V326 HydrophobicContact CG1-CB 4.37Å; V286-V326 HydrophobicContact CG1-CG2 3.75Å; V286-V326 HydrophobicContact CG2-CG2 4.37Å; F317-V326 HydrophobicContact CD1-CG2 4.38Å; F317-V326 HydrophobicContact CD2-CG1 3.6Å; F317-V326 HydrophobicContact CE2-CG1 3.48Å; F317-V326 VanDerWaalsContact CE2-CG1 3.48Å; F317-V326 HydrophobicContact CG-CG1 4.19Å; F317-V326 HydrophobicContact CG-CG2 4.35Å; F317-V326 HydrophobicContact CZ-CG1 3.97Å; M321-V326 HydrophobicContact CG-CG2 3.93Å; M321-V326 HydrophobicContact SD-CG2 3.54Å; M321-V326 VanDerWaalsContact SD-CG2 3.54Å; S322-V326 PolarHBondContact O-N 2.96Å; S322-V326 VanDerWaalsContact O-N 3.1Å; M323-V326 WeakPolarHBondContact O-CB 3.48Å; M323-V326 PolarHBondContact O-N 3.37Å; M323-V326 VanDerWaalsContact O-N 3.14Å; V326-E328 PolarHBondContact O-N 3.49Å; V326-Q329 PolarHBondContact O-N 2.92Å; V326-M330 HydrophobicContact CG1-CG 4.4Å; V326-M330 WeakPolarHBondContact O-CB 3.39Å; V326-M330 VanDerWaalsContact O-CG 3.26Å; V326-M330 WeakPolarHBondContact O-CG 3.31Å; V326-M330 PolarHBondContact O-N 3.14Å; V326-T351 HydrophobicContact CG1-CG2 4.37Å; V326-V353 HydrophobicContact CG1-CG2 4.46Å; V326-V353 HydrophobicContact CG2-CG2 4.43Å
327	D	89.7	Confident	90.3	Very high	84 Å²	84	64.3 Å²	64.3	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-41.6	-178.8	-66.6	-24.8	0	0	0	111.6	M323 Q329 M330 L331 T351	M323-D327 PolarHBondContact O-N 2.74Å; D327-Q329 PolarHBondContact O-N 2.84Å; D327-M330 PolarHBondContact O-N 3.05Å; D327-L331 VanDerWaalsContact O-CB 3.29Å; D327-L331 WeakPolarHBondContact O-CB 3.5Å; D327-L331 PolarHBondContact O-N 3.4Å; D327-T351 PolarHBondContact OD1-OG1 3.16Å
328	E	92.7	Very high	90.2	Very high	98 Å²	98	67.6 Å²	67.6	46%	0.458	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-42.7	175	-78	175.7	-177.7	0	0	112.1	K324 E325 V326 N332	K324-E328 WeakPolarHBondContact CE-OE1 3.48Å; K324-E328 IonicContact NZ-OE1 3.81Å; K324-E328 WeakPolarHBondContact O-CB 3.47Å; K324-E328 VanDerWaalsContact O-CG 3.24Å; K324-E328 WeakPolarHBondContact O-CG 3.32Å; K324-E328 PolarHBondContact O-N 3.08Å; E325-E328 PolarHBondContact O-N 3.37Å; V326-E328 PolarHBondContact O-N 3.49Å; E328-N332 VanDerWaalsContact O-CB 3.26Å; E328-N332 WeakPolarHBondContact O-CB 3.42Å; E328-N332 PolarHBondContact O-N 3.31Å
329	Q	93.3	Very high	90.2	Very high	41 Å²	41	70.8 Å²	70.8	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-40	178.9	-69	-49.9	-51.6	0	0	112.4	V286 P287 T290 E325 V326 D327 N332 V333	V286-Q329 HydrophobicContact CG1-CG 4.2Å; P287-Q329 HydrophobicContact CB-CG 4.25Å; P287-Q329 HydrophobicContact CG-CG 3.97Å; T290-Q329 HydrophobicContact CG2-CB 4.14Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.34Å; E325-Q329 PolarHBondContact O-N 3.45Å; V326-Q329 PolarHBondContact O-N 2.92Å; D327-Q329 PolarHBondContact O-N 2.84Å; Q329-N332 WeakPolarHBondContact O-CB 3.18Å; Q329-N332 PolarHBondContact O-N 3.22Å; Q329-V333 PolarHBondContact O-N 2.86Å
330	M	91.6	Very high	90.3	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.02	37%	0.369	C	S	.	.	H	α-helix	trans	-67.8	-38.6	178.5	-67.9	-65.3	-58.3	0	0	111.6	T290 M293 F294 A315 F317 V326 D327 V333 Q334 V349 T351	T290-M330 HydrophobicContact CG2-SD 3.73Å; M293-M330 HydrophobicContact CE-SD 4.08Å; F294-M330 HydrophobicContact CE2-CE 3.85Å; F294-M330 HydrophobicContact CE2-SD 4.09Å; F294-M330 HydrophobicContact CZ-CE 3.94Å; A315-M330 HydrophobicContact CB-CE 3.9Å; A315-M330 HydrophobicContact CB-SD 4.34Å; F317-M330 HydrophobicContact CE2-CG 4.29Å; F317-M330 HydrophobicContact CE2-SD 4.13Å; F317-M330 HydrophobicContact CZ-CG 4.46Å; F317-M330 HydrophobicContact CZ-SD 4.12Å; V326-M330 HydrophobicContact CG1-CG 4.4Å; V326-M330 WeakPolarHBondContact O-CB 3.39Å; V326-M330 VanDerWaalsContact O-CG 3.26Å; V326-M330 WeakPolarHBondContact O-CG 3.31Å; V326-M330 PolarHBondContact O-N 3.14Å; D327-M330 PolarHBondContact O-N 3.05Å; M330-V333 PolarHBondContact O-N 3.23Å; M330-Q334 WeakPolarHBondContact O-CG 3.49Å; M330-Q334 PolarHBondContact O-N 2.93Å; M330-Q334 VanDerWaalsContact O-N 3.08Å; M330-Q334 PolarHBondContact O-NE2 3.02Å; M330-V349 HydrophobicContact CE-CG1 3.34Å; M330-T351 HydrophobicContact CB-CG2 4.08Å; M330-T351 HydrophobicContact CE-CG2 4.2Å; M330-T351 HydrophobicContact CG-CG2 3.61Å; M330-T351 HydrophobicContact SD-CG2 4.5Å
331	L	91.3	Very high	90.7	Very high	94 Å²	94	64.7 Å²	64.7	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-39.8	172.6	-175.7	63.6	0	0	0	111.8	D327 V333 Q334 N335	D327-L331 VanDerWaalsContact O-CB 3.29Å; D327-L331 WeakPolarHBondContact O-CB 3.5Å; D327-L331 PolarHBondContact O-N 3.4Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 3.39Å; L331-Q334 PolarHBondContact O-N 2.8Å; L331-N335 WeakPolarHBondContact O-CB 3.23Å; L331-N335 VanDerWaalsContact O-CG 3.29Å; L331-N335 PolarHBondContact O-N 3.29Å; L331-N335 PolarHBondContact O-ND2 3.09Å
332	N	93.3	Very high	90.8	Very high	58 Å²	58	63.5 Å²	63.5	31%	0.31	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-40.9	176.4	-173.3	22.8	0	0	0	112	E328 Q329 K336	E328-N332 VanDerWaalsContact O-CB 3.26Å; E328-N332 WeakPolarHBondContact O-CB 3.42Å; E328-N332 PolarHBondContact O-N 3.31Å; Q329-N332 WeakPolarHBondContact O-CB 3.18Å; Q329-N332 PolarHBondContact O-N 3.22Å; N332-K336 PolarHBondContact ND2-NZ 3.06Å; N332-K336 WeakPolarHBondContact O-CB 3.46Å; N332-K336 WeakPolarHBondContact O-CG 3.28Å; N332-K336 PolarHBondContact O-N 3.44Å; N332-K336 WeakPolarHBondContact OD1-CE 3.37Å; N332-K336 PolarHBondContact OD1-NZ 3.45Å
333	V	91.6	Very high	90.8	Very high	19 Å²	19	67.3 Å²	67.3	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-46.6	175.1	170.3	0	0	0	0	111	T290 F294 Q329 M330 L331 N335 K336 N337	T290-V333 HydrophobicContact CG2-CG2 3.69Å; F294-V333 HydrophobicContact CD1-CG1 4.24Å; F294-V333 HydrophobicContact CD2-CG1 3.78Å; F294-V333 HydrophobicContact CD2-CG2 4.47Å; F294-V333 HydrophobicContact CE1-CG1 4.25Å; F294-V333 HydrophobicContact CE2-CB 4.43Å; F294-V333 HydrophobicContact CE2-CG1 3.81Å; F294-V333 HydrophobicContact CG-CG1 4Å; F294-V333 HydrophobicContact CZ-CG1 4.04Å; Q329-V333 PolarHBondContact O-N 2.86Å; M330-V333 PolarHBondContact O-N 3.23Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 3.39Å; V333-N335 VanDerWaalsContact C-N 3.34Å; V333-N335 PolarHBondContact O-N 3.48Å; V333-K336 PolarHBondContact O-N 3.24Å; V333-N337 VanDerWaalsContact O-CB 3.27Å; V333-N337 WeakPolarHBondContact O-CB 3.19Å; V333-N337 PolarHBondContact O-N 2.64Å
334	Q	89.7	Confident	90.9	Very high	42 Å²	42	68.2 Å²	68.2	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-46.2	177.2	-75.3	170.6	48.2	0	0	112	M330 L331 K336 N337 S338 F341 V349	M330-Q334 WeakPolarHBondContact O-CG 3.49Å; M330-Q334 PolarHBondContact O-N 2.93Å; M330-Q334 VanDerWaalsContact O-N 3.08Å; M330-Q334 PolarHBondContact O-NE2 3.02Å; L331-Q334 PolarHBondContact O-N 2.8Å; Q334-K336 PolarHBondContact O-N 2.76Å; Q334-N337 CarbonylContact O-C 3.47Å; Q334-N337 PolarHBondContact O-N 3.18Å; Q334-S338 WeakPolarHBondContact O-CA 3.18Å; Q334-S338 PolarHBondContact O-N 2.92Å; Q334-F341 HydrophobicContact CG-CE1 4.38Å; Q334-F341 HydrophobicContact CG-CE2 4.22Å; Q334-F341 HydrophobicContact CG-CZ 4.12Å; Q334-V349 VanDerWaalsContact CD-CG2 3.49Å; Q334-V349 HydrophobicContact CG-CG2 3.77Å; Q334-V349 VanDerWaalsContact NE2-CG2 3.32Å
335	N	90.3	Very high	90.8	Very high	112 Å²	112	63 Å²	63	60%	0.599	32%	0.316	S	S	*	.	H	α-helix	trans	-66.9	-36.9	-179.4	-71.7	-21.1	0	0	0	113	L331 V333	L331-N335 WeakPolarHBondContact O-CB 3.23Å; L331-N335 VanDerWaalsContact O-CG 3.29Å; L331-N335 PolarHBondContact O-N 3.29Å; L331-N335 PolarHBondContact O-ND2 3.09Å; V333-N335 VanDerWaalsContact C-N 3.34Å; V333-N335 PolarHBondContact O-N 3.48Å
336	K	91.6	Very high	90.4	Very high	146 Å²	146	64.5 Å²	64.5	64%	0.635	33%	0.331	S	S	*	.	H	α-helix	trans	-72.6	-32.3	177.9	-77.8	174.1	175.6	166.6	0	113	N332 V333 Q334	N332-K336 PolarHBondContact ND2-NZ 3.06Å; N332-K336 WeakPolarHBondContact O-CB 3.46Å; N332-K336 WeakPolarHBondContact O-CG 3.28Å; N332-K336 PolarHBondContact O-N 3.44Å; N332-K336 WeakPolarHBondContact OD1-CE 3.37Å; N332-K336 PolarHBondContact OD1-NZ 3.45Å; V333-K336 PolarHBondContact O-N 3.24Å; Q334-K336 PolarHBondContact O-N 2.76Å
337	N	90.3	Very high	90.1	Very high	57 Å²	57	70.3 Å²	70.3	31%	0.305	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	27.7	-170.1	-67	-15.1	0	0	0	111.3	V333 Q334 S339 Y340 F341	V333-N337 VanDerWaalsContact O-CB 3.27Å; V333-N337 WeakPolarHBondContact O-CB 3.19Å; V333-N337 PolarHBondContact O-N 2.64Å; Q334-N337 CarbonylContact O-C 3.47Å; Q334-N337 PolarHBondContact O-N 3.18Å; N337-S339 PolarHBondContact O-N 2.99Å; N337-S339 VanDerWaalsContact O-N 3.1Å; N337-Y340 HydrophobicContact CB-CD2 3.81Å; N337-Y340 WeakPolarHBondContact O-CB 3.5Å; N337-Y340 PolarHBondContact O-N 2.94Å; N337-F341 HydrophobicContact CB-CE2 4.11Å; N337-F341 VanDerWaalsContact O-CD2 3.31Å; N337-F341 WeakPolarHBondContact O-CD2 3.36Å
338	S	88.5	Confident	90.1	Very high	69 Å²	69	66.9 Å²	66.9	48%	0.483	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-56.2	-34.4	-169.8	60.3	0	0	0	0	112.9	Q334 Y340 F341	Q334-S338 WeakPolarHBondContact O-CA 3.18Å; Q334-S338 PolarHBondContact O-N 2.92Å; S338-Y340 PolarHBondContact O-N 3.47Å; S338-Y340 VanDerWaalsContact O-N 3.16Å; S338-F341 PolarHBondContact O-N 2.82Å; S338-F341 VanDerWaalsContact O-O 3.07Å
339	S	90	Very high	89.9	Confident	69 Å²	69	63 Å²	63	48%	0.483	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-61.7	-20.2	176	59.1	0	0	0	0	114.9	R309 N337	R309-S339 PolarHBondContact NE-O 3.24Å; N337-S339 PolarHBondContact O-N 2.99Å; N337-S339 VanDerWaalsContact O-N 3.1Å
340	Y	91.8	Very high	89.7	Confident	82 Å²	82	64.7 Å²	64.7	32%	0.322	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-93.8	-2	178.3	-60	-68.5	0	0	0	112.6	R306 R309 Y310 N337 S338	R306-Y340 HydrophobicContact CB-CE1 3.99Å; R306-Y340 HydrophobicContact CG-CE1 4.45Å; R306-Y340 WeakPolarHBondContact O-CE1 3.29Å; R309-Y340 CarbonylContact C-O 3.51Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.48Å; Y310-Y340 PolarHBondContact N-O 3.22Å; N337-Y340 HydrophobicContact CB-CD2 3.81Å; N337-Y340 WeakPolarHBondContact O-CB 3.5Å; N337-Y340 PolarHBondContact O-N 2.94Å; S338-Y340 PolarHBondContact O-N 3.47Å; S338-Y340 VanDerWaalsContact O-N 3.16Å
341	F	92.4	Very high	89.6	Confident	14 Å²	14	66.3 Å²	66.3	6%	0.061	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-109.5	141.3	172.1	-64.5	-89.9	0	0	0	108.5	F294 Y310 V313 Q334 N337 S338 E343 V349	F294-F341 HydrophobicContact CE1-CE1 4.25Å; F294-F341 AromaticContact CE1-CZ 3.75Å; F294-F341 HydrophobicContact CE1-CZ 3.75Å; F294-F341 HydrophobicContact CZ-CZ 4.19Å; Y310-F341 HydrophobicContact CD2-CD1 4.29Å; Y310-F341 AromaticContact CD2-CE1 3.97Å; Y310-F341 HydrophobicContact CD2-CE1 3.97Å; Y310-F341 HydrophobicContact CD2-CZ 4.22Å; Y310-F341 HydrophobicContact CG-CD1 4.47Å; Y310-F341 HydrophobicContact CG-CE1 4.32Å; V313-F341 HydrophobicContact CG2-CE1 4.01Å; Q334-F341 HydrophobicContact CG-CE1 4.38Å; Q334-F341 HydrophobicContact CG-CE2 4.22Å; Q334-F341 HydrophobicContact CG-CZ 4.12Å; N337-F341 HydrophobicContact CB-CE2 4.11Å; N337-F341 VanDerWaalsContact O-CD2 3.31Å; N337-F341 WeakPolarHBondContact O-CD2 3.36Å; S338-F341 PolarHBondContact O-N 2.82Å; S338-F341 VanDerWaalsContact O-O 3.07Å; F341-E343 PolarHBondContact O-N 2.88Å; F341-V349 HydrophobicContact CD1-CG2 4Å; F341-V349 HydrophobicContact CE1-CG2 3.61Å; F341-V349 HydrophobicContact CZ-CG2 4.43Å
342	V	91.8	Very high	89.4	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.03	33%	0.325	C	S	.	.			trans	-68.2	133.5	175	-64	0	0	0	0	110.9	R309 Y310 L311 W344 I345	R309-V342 HydrophobicContact CB-CG1 3.92Å; Y310-V342 WeakPolarHBondContact O-CG2 3.43Å; Y310-V342 PolarHBondContact O-N 3.08Å; L311-V342 HydrophobicContact CD2-CG1 3.82Å; L311-V342 HydrophobicContact CD2-CG2 4.41Å; V342-W344 HydrophobicContact CB-CZ2 4.27Å; V342-W344 HydrophobicContact CG1-CZ2 4.27Å; V342-W344 HydrophobicContact CG2-CD2 4.49Å; V342-W344 HydrophobicContact CG2-CZ2 4.14Å; V342-I345 HydrophobicContact CG2-CB 3.88Å; V342-I345 HydrophobicContact CG2-CD1 3.92Å; V342-I345 HydrophobicContact CG2-CG1 3.75Å
343	E	87.6	Confident	89.2	Confident	142 Å²	142	60.5 Å²	60.5	66%	0.664	32%	0.316	S	S	*	.	S	Bend	trans	-78.6	-28	-175.4	-61.8	179.8	170.9	0	0	112.5	F341 I345	F341-E343 PolarHBondContact O-N 2.88Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.44Å
344	W	88.3	Confident	89	Confident	82 Å²	82	60 Å²	60	31%	0.311	31%	0.313	S	S	.	.	S	Bend	trans	-79.7	-10.8	-176.5	56.2	-97.2	0	0	0	114	F260 L311 V342 P346 Y425 A430	F260-W344 AromaticContact CE2-CH2 3.5Å; F260-W344 HydrophobicContact CE2-CH2 3.5Å; F260-W344 VanDerWaalsContact CE2-CH2 3.5Å; F260-W344 HydrophobicContact CE2-CZ2 4.31Å; F260-W344 HydrophobicContact CE2-CZ3 4.16Å; F260-W344 AromaticContact CZ-CH2 3.87Å; F260-W344 HydrophobicContact CZ-CH2 3.87Å; F260-W344 HydrophobicContact CZ-CZ3 4.1Å; L311-W344 HydrophobicContact CD2-CH2 4.25Å; L311-W344 HydrophobicContact CD2-CZ2 3.83Å; V342-W344 HydrophobicContact CB-CZ2 4.27Å; V342-W344 HydrophobicContact CG1-CZ2 4.27Å; V342-W344 HydrophobicContact CG2-CD2 4.49Å; V342-W344 HydrophobicContact CG2-CZ2 4.14Å; W344-P346 VanDerWaalsContact O-CD 3.3Å; W344-P346 WeakPolarHBondContact O-CD 3.45Å; W344-Y425 HydrophobicContact CZ2-CD1 4.25Å; W344-A430 HydrophobicContact CB-CB 4.43Å
345	I	87.9	Confident	88.7	Confident	33 Å²	33	62.3 Å²	62.3	17%	0.169	33%	0.327	C	S	.	.	S	Bend	trans	-103.4	96.8	166.2	-53.4	-177.4	0	0	0	108.7	P259 L311 T312 V342 E343 N348	P259-I345 HydrophobicContact CB-CD1 4Å; P259-I345 HydrophobicContact CG-CD1 4.13Å; L311-I345 HydrophobicContact CB-CD1 4.5Å; T312-I345 HydrophobicContact CG2-CD1 4.36Å; V342-I345 HydrophobicContact CG2-CB 3.88Å; V342-I345 HydrophobicContact CG2-CD1 3.92Å; V342-I345 HydrophobicContact CG2-CG1 3.75Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.44Å; I345-N348 HydrophobicContact CB-CB 4.05Å; I345-N348 HydrophobicContact CG2-CB 3.68Å
346	P	84.9	Confident	88.5	Confident	103 Å²	103	58.2 Å²	58.2	67%	0.669	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	141	176.8	27.6	-34	0	0	0	110.8	W344 N348	W344-P346 VanDerWaalsContact O-CD 3.3Å; W344-P346 WeakPolarHBondContact O-CD 3.45Å; P346-N348 VanDerWaalsContact C-N 3.33Å; P346-N348 PolarHBondContact O-N 3.33Å
347	N	84.5	Confident	88.2	Confident	123 Å²	123	53.6 Å²	53.6	66%	0.658	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	45	176.5	-55.4	-49.5	0	0	0	113.9	V349 K350	N347-V349 PolarHBondContact O-N 3.43Å; N347-K350 PolarHBondContact O-NZ 2.99Å
348	N	88.3	Confident	88	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.064	28%	0.279	C	S	.	.			trans	-73.8	-4.4	-176.9	66.3	-14.5	0	0	0	115.2	Y310 L311 T312 V313 I345 P346	Y310-N348 PolarHBondContact O-ND2 3.44Å; L311-N348 VanDerWaalsContact O-CB 3.22Å; L311-N348 WeakPolarHBondContact O-CB 3.3Å; L311-N348 PolarHBondContact O-ND2 2.85Å; T312-N348 WeakPolarHBondContact CA-O 3.47Å; V313-N348 PolarHBondContact N-O 3.34Å; I345-N348 HydrophobicContact CB-CB 4.05Å; I345-N348 HydrophobicContact CG2-CB 3.68Å; P346-N348 VanDerWaalsContact C-N 3.33Å; P346-N348 PolarHBondContact O-N 3.33Å
349	V	89.7	Confident	87.6	Confident	17 Å²	17	57.1 Å²	57.1	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.9	176.4	-175.2	0	0	0	0	110.3	V313 M330 Q334 F341 N347	V313-V349 HydrophobicContact CB-CB 4.46Å; V313-V349 HydrophobicContact CB-CG1 4.24Å; V313-V349 HydrophobicContact CB-CG2 4.15Å; V313-V349 HydrophobicContact CG1-CG1 4.17Å; V313-V349 CarbonylContact O-C 3.56Å; V313-V349 WeakPolarHBondContact O-CA 3.39Å; M330-V349 HydrophobicContact CE-CG1 3.34Å; Q334-V349 VanDerWaalsContact CD-CG2 3.49Å; Q334-V349 HydrophobicContact CG-CG2 3.77Å; Q334-V349 VanDerWaalsContact NE2-CG2 3.32Å; F341-V349 HydrophobicContact CD1-CG2 4Å; F341-V349 HydrophobicContact CE1-CG2 3.61Å; F341-V349 HydrophobicContact CZ-CG2 4.43Å; N347-V349 PolarHBondContact O-N 3.43Å
350	K	89.1	Confident	87.1	Confident	76 Å²	76	56.9 Å²	56.9	33%	0.33	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.6	175.1	-58.2	-53	-177.1	-151.6	0	110.6	N256 V313 A314 A315 N347	N256-K350 HydrophobicContact CB-CG 4.42Å; V313-K350 PolarHBondContact O-N 2.98Å; A314-K350 CarbonylContact C-O 3.51Å; A314-K350 WeakPolarHBondContact CA-O 3.08Å; A315-K350 PolarHBondContact N-O 3.41Å; N347-K350 PolarHBondContact O-NZ 2.99Å
351	T	89	Confident	86.7	Confident	37 Å²	37	54.8 Å²	54.8	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.7	176.9	52.2	0	0	0	0	109.6	A315 V326 D327 M330	A315-T351 CarbonylContact O-C 3.59Å; A315-T351 WeakPolarHBondContact O-CA 3.4Å; V326-T351 HydrophobicContact CG1-CG2 4.37Å; D327-T351 PolarHBondContact OD1-OG1 3.16Å; M330-T351 HydrophobicContact CB-CG2 4.08Å; M330-T351 HydrophobicContact CE-CG2 4.2Å; M330-T351 HydrophobicContact CG-CG2 3.61Å; M330-T351 HydrophobicContact SD-CG2 4.5Å
352	A	87.6	Confident	86.4	Confident	11 Å²	11	62.7 Å²	62.7	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.8	170.6	0	0	0	0	0	108.8	L246 A315 V316 F317	L246-A352 HydrophobicContact CB-CB 4.26Å; L246-A352 HydrophobicContact CD2-CB 4.09Å; A315-A352 PolarHBondContact O-N 3.08Å; V316-A352 CarbonylContact C-O 3.55Å; V316-A352 HydrophobicContact CG2-CB 4.41Å; F317-A352 PolarHBondContact N-O 2.98Å
353	V	88.1	Confident	86.3	Confident	20 Å²	20	63.9 Å²	63.9	12%	0.121	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128	177.1	-175.3	0	0	0	0	108.7	F317 M321 M323 V326	F317-V353 HydrophobicContact CB-CG2 4.33Å; F317-V353 CarbonylContact O-C 3.5Å; F317-V353 WeakPolarHBondContact O-CA 3.27Å; M321-V353 HydrophobicContact CG-CG1 3.99Å; M323-V353 HydrophobicContact CE-CB 4.3Å; M323-V353 HydrophobicContact CG-CG2 4.21Å; V326-V353 HydrophobicContact CG1-CG2 4.46Å; V326-V353 HydrophobicContact CG2-CG2 4.43Å
354	C	87.1	Confident	86.5	Confident	7 Å²	7	57.1 Å²	57.1	5%	0.047	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.3	173.5	-178.7	0	0	0	0	109.5	T238 F317 R318 G319 I356	T238-C354 HydrophobicContact CG2-CB 3.59Å; F317-C354 PolarHBondContact O-N 3.29Å; R318-C354 CarbonylContact C-O 3.49Å; R318-C354 VanDerWaalsContact CA-O 3.31Å; R318-C354 WeakPolarHBondContact CA-O 3.32Å; R318-C354 HydrophobicContact CG-CB 4.44Å; G319-C354 PolarHBondContact N-O 3.21Å; C354-I356 PolarHBondContact O-N 3.21Å
355	D	84.8	Confident	86.7	Confident	92 Å²	92	53.2 Å²	53.2	49%	0.492	29%	0.286	S	S	.	.	S	Bend	trans	-71.8	-18.5	-177.4	-70	-30.9	0	0	0	113.5	P357	D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.48Å
356	I	84.8	Confident	86.9	Confident	26 Å²	26	51.7 Å²	51.7	13%	0.133	28%	0.278	C	S	.	.			trans	-90.5	108.5	-177.4	-56.8	-177.8	0	0	0	109.8	L42 F242 R318 C354	L42-I356 HydrophobicContact CB-CD1 3.68Å; L42-I356 HydrophobicContact CD1-CD1 4.26Å; L42-I356 HydrophobicContact CD1-CG1 4.46Å; F242-I356 HydrophobicContact CD1-CD1 3.47Å; F242-I356 VanDerWaalsContact CD1-CD1 3.47Å; F242-I356 HydrophobicContact CE1-CD1 3.68Å; F242-I356 HydrophobicContact CE1-CG2 4.42Å; F242-I356 HydrophobicContact CE2-CG2 4.38Å; F242-I356 HydrophobicContact CG-CD1 4.01Å; F242-I356 HydrophobicContact CZ-CD1 4.4Å; F242-I356 HydrophobicContact CZ-CG2 4.17Å; R318-I356 PolarHBondContact NE-O 3.05Å; R318-I356 VanDerWaalsContact NE-O 3.14Å; R318-I356 PolarHBondContact NH2-O 3.29Å; C354-I356 PolarHBondContact O-N 3.21Å
357	P	86.9	Confident	87.4	Confident	48 Å²	48	46.8 Å²	46.8	31%	0.312	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-74.1	157.8	176.3	34.4	-35.8	0	0	0	111.2	D355 L361 K362	D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.48Å; P357-L361 WeakPolarHBondContact CB-O 3.43Å; P357-K362 WeakPolarHBondContact CB-O 3.47Å
358	P	85.6	Confident	87.8	Confident	15 Å²	15	41 Å²	41	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.3	157.5	171.6	27.4	-30.7	0	0	0	111.4	G360 L361 A364	P358-G360 PolarHBondContact O-N 3.47Å; P358-L361 HydrophobicContact CG-CB 4.19Å; P358-L361 HydrophobicContact CG-CD1 4.16Å; P358-L361 PolarHBondContact O-N 2.98Å; P358-L361 VanDerWaalsContact O-O 3.1Å; P358-A364 HydrophobicContact CG-CB 3.56Å
359	R	78.6	Confident	88.1	Confident	185 Å²	185	40.4 Å²	40.4	70%	0.698	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.3	-177.6	-169.8	177.8	-176.2	-176.5	9.4	111.4	D26 L361	D26-R359 IonicContact OD1-NH1 3.87Å; D26-R359 PolarHBondContact OD1-NH1 2.8Å; D26-R359 VanDerWaalsContact OD1-NH1 3.11Å; D26-R359 IonicContact OD2-CZ 3.97Å; D26-R359 IonicContact OD2-NH1 3.11Å; D26-R359 PolarHBondContact OD2-NH1 2.86Å; R359-L361 VanDerWaalsContact C-N 3.29Å; R359-L361 PolarHBondContact O-N 3.25Å
360	G	79.7	Confident	88.4	Confident	65 Å²	65	39.6 Å²	39.6	67%	0.67	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	-2.4	177.3	0	0	0	0	0	115.3	P358	P358-G360 PolarHBondContact O-N 3.47Å
361	L	84.3	Confident	88.6	Confident	37 Å²	37	36 Å²	36	19%	0.194	19%	0.192	C	C	.	.			trans	-124.6	148.7	175.8	-63	171.5	0	0	0	110.2	F270 P272 P357 P358 R359 A364	F270-L361 HydrophobicContact CE1-CD1 4.32Å; F270-L361 HydrophobicContact CZ-CD1 4.14Å; P272-L361 HydrophobicContact CG-CD1 4.3Å; P272-L361 HydrophobicContact CG-CD2 4.12Å; P357-L361 WeakPolarHBondContact CB-O 3.43Å; P358-L361 HydrophobicContact CG-CB 4.19Å; P358-L361 HydrophobicContact CG-CD1 4.16Å; P358-L361 PolarHBondContact O-N 2.98Å; P358-L361 VanDerWaalsContact O-O 3.1Å; R359-L361 VanDerWaalsContact C-N 3.29Å; R359-L361 PolarHBondContact O-N 3.25Å; L361-A364 HydrophobicContact CD1-CB 4.43Å
362	K	86.3	Confident	88.9	Confident	181 Å²	181	34.2 Å²	34.2	79%	0.787	18%	0.181	S	C	*	.	S	Bend	trans	-87.4	-32.1	173.8	-68.9	-174.2	179.3	-179.8	0	112.4	P357	P357-K362 WeakPolarHBondContact CB-O 3.47Å
363	M	89.5	Confident	89.3	Confident	30 Å²	30	33.7 Å²	33.7	15%	0.148	18%	0.177	C	C	.	.			trans	-143.8	143.9	178.1	-62	-176	-65.3	0	0	109.2	L284 L289 R318 M321	L284-M363 VanDerWaalsContact C-CE 3.46Å; L284-M363 HydrophobicContact CB-CE 4Å; L284-M363 WeakPolarHBondContact O-CE 3.4Å; L289-M363 HydrophobicContact CD1-CB 3.85Å; R318-M363 CarbonylContact O-C 3.57Å; R318-M363 WeakPolarHBondContact O-CA 3.06Å; M321-M363 HydrophobicContact CB-SD 4.47Å; M321-M363 HydrophobicContact CE-CB 4.41Å; M321-M363 HydrophobicContact CE-CG 4.32Å; M321-M363 HydrophobicContact CE-SD 4.47Å
364	A	91.6	Very high	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.4	172.2	0	0	0	0	0	109.3	F270 A271 R318 P358 L361	F270-A364 HydrophobicContact CE2-CB 4.18Å; F270-A364 HydrophobicContact CZ-CB 3.91Å; A271-A364 CarbonylContact O-C 3.5Å; A271-A364 VanDerWaalsContact O-CA 3.31Å; A271-A364 WeakPolarHBondContact O-CA 3.3Å; R318-A364 HydrophobicContact CB-CB 4.47Å; R318-A364 PolarHBondContact N-O 3.45Å; R318-A364 PolarHBondContact O-N 3.04Å; P358-A364 HydrophobicContact CG-CB 3.56Å; L361-A364 HydrophobicContact CD1-CB 4.43Å
365	A	92.4	Very high	89.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133	173.5	0	0	0	0	0	108.9	A271 L289 M293 V316 F317	A271-A365 PolarHBondContact N-O 3Å; A271-A365 PolarHBondContact O-N 2.54Å; A271-A365 VanDerWaalsContact O-O 3.11Å; L289-A365 HydrophobicContact CB-CB 4.18Å; M293-A365 HydrophobicContact CE-CB 4.06Å; M293-A365 HydrophobicContact CG-CB 3.91Å; M293-A365 HydrophobicContact SD-CB 3.35Å; M293-A365 WeakPolarHBondContact SD-CB 3.41Å; V316-A365 CarbonylContact O-C 3.52Å; V316-A365 WeakPolarHBondContact O-CA 3.28Å; F317-A365 HydrophobicContact CD1-CB 3.7Å; F317-A365 HydrophobicContact CE1-CB 3.84Å; F317-A365 HydrophobicContact CG-CB 4.27Å; F317-A365 HydrophobicContact CZ-CB 4.5Å
366	T	93.2	Very high	90.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.4	177.4	-54.2	0	0	0	0	108.3	G235 V236 A315 V316	G235-T366 VanDerWaalsContact CA-OG1 3.23Å; G235-T366 WeakPolarHBondContact CA-OG1 3.4Å; V236-T366 HydrophobicContact CG2-CG2 4.04Å; A315-T366 CarbonylContact C-O 3.57Å; A315-T366 WeakPolarHBondContact CA-O 3.32Å; V316-T366 PolarHBondContact N-O 3.26Å; V316-T366 PolarHBondContact O-N 2.94Å
367	F	93.9	Very high	90.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.3	-178.9	178.5	-94.7	0	0	0	109	P268 G269 M293 F294 M299 Y310 V313	P268-F367 CarbonylContact C-O 3.55Å; P268-F367 WeakPolarHBondContact CA-O 3.37Å; G269-F367 PolarHBondContact N-O 3.19Å; G269-F367 PolarHBondContact O-N 3.13Å; M293-F367 HydrophobicContact CB-CB 4.18Å; M293-F367 HydrophobicContact CB-CD2 4.32Å; M293-F367 HydrophobicContact CG-CB 4.22Å; M293-F367 HydrophobicContact SD-CB 4.21Å; F294-F367 HydrophobicContact CD1-CE2 4.07Å; F294-F367 AromaticContact CE1-CE2 3.66Å; F294-F367 HydrophobicContact CE1-CE2 3.66Å; F294-F367 HydrophobicContact CE1-CZ 4.27Å; F294-F367 HydrophobicContact CE2-CE2 4.47Å; F294-F367 AromaticContact CZ-CE2 3.89Å; F294-F367 HydrophobicContact CZ-CE2 3.89Å; M299-F367 HydrophobicContact CE-CD1 3.72Å; M299-F367 HydrophobicContact CE-CE1 3.5Å; M299-F367 VanDerWaalsContact CE-CE1 3.5Å; M299-F367 HydrophobicContact CE-CG 4.47Å; M299-F367 HydrophobicContact CE-CZ 4.08Å; M299-F367 HydrophobicContact SD-CD1 3.78Å; M299-F367 HydrophobicContact SD-CE1 3.84Å; Y310-F367 HydrophobicContact CD1-CZ 4.28Å; Y310-F367 HydrophobicContact CE1-CE1 4.03Å; Y310-F367 AromaticContact CE1-CZ 3.51Å; Y310-F367 HydrophobicContact CE1-CZ 3.51Å; Y310-F367 AromaticContact CZ-CZ 3.75Å; V313-F367 HydrophobicContact CB-CE2 4.41Å; V313-F367 HydrophobicContact CG1-CD2 3.97Å; V313-F367 HydrophobicContact CG1-CE2 3.33Å; V313-F367 HydrophobicContact CG1-CZ 4.02Å; V313-F367 HydrophobicContact CG2-CE2 4.22Å; V313-F367 HydrophobicContact CG2-CZ 4.18Å
368	I	94.2	Very high	90.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.3	171.5	-51.8	167.6	0	0	0	105.4	Y200 V236 M257 F266 V313 A314	Y200-I368 HydrophobicContact CD1-CG2 4.45Å; Y200-I368 HydrophobicContact CE1-CD1 4.13Å; Y200-I368 HydrophobicContact CE1-CG1 4.27Å; Y200-I368 HydrophobicContact CE1-CG2 3.79Å; V236-I368 HydrophobicContact CB-CD1 4.27Å; V236-I368 HydrophobicContact CG1-CD1 3.95Å; V236-I368 HydrophobicContact CG2-CD1 3.84Å; V236-I368 HydrophobicContact CG2-CG1 3.94Å; M257-I368 HydrophobicContact CE-CB 4.35Å; M257-I368 HydrophobicContact CE-CG2 3.91Å; M257-I368 VanDerWaalsContact CE-O 3.3Å; M257-I368 WeakPolarHBondContact CE-O 3.47Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.49Å; F266-I368 HydrophobicContact CD2-CG2 3.85Å; F266-I368 HydrophobicContact CG-CG2 3.81Å; V313-I368 WeakPolarHBondContact CA-O 3.32Å; A314-I368 HydrophobicContact CB-CB 4.26Å; A314-I368 HydrophobicContact CB-CD1 4.47Å; A314-I368 PolarHBondContact N-O 3.29Å; A314-I368 PolarHBondContact O-N 2.89Å
369	G	93.8	Very high	91.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128	178.9	0	0	0	0	0	111.2	F266 M267	F266-G369 WeakPolarHBondContact CA-O 3.27Å; M267-G369 PolarHBondContact N-O 2.86Å; M267-G369 PolarHBondContact O-N 2.73Å
370	N	95.3	Very high	91.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	100.5	159.8	-166.4	-13.5	0	0	0	107.4	M257 L263 F266 L311 T312	M257-N370 HydrophobicContact CE-CB 4.45Å; M257-N370 PolarHBondContact O-ND2 3.04Å; L263-N370 PolarHBondContact O-ND2 2.82Å; F266-N370 HydrophobicContact CD1-CB 3.88Å; F266-N370 HydrophobicContact CE1-CB 3.99Å; L311-N370 HydrophobicContact CB-CB 4.39Å; L311-N370 PolarHBondContact N-O 3.02Å; T312-N370 PolarHBondContact N-O 2.93Å; T312-N370 PolarHBondContact O-N 3.45Å; T312-N370 WeakPolarHBondContact OG1-CB 3.49Å
371	S	95.1	Very high	92.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.8	-175.5	-176.9	0	0	0	0	110.5	R309 A373 I374	R309-S371 WeakPolarHBondContact O-CA 3.38Å; R309-S371 PolarHBondContact O-OG 3.11Å; S371-A373 PolarHBondContact O-N 3.49Å; S371-A373 WeakPolarHBondContact OG-CB 3.38Å; S371-A373 PolarHBondContact OG-N 2.84Å; S371-I374 VanDerWaalsContact O-CG2 3.25Å; S371-I374 WeakPolarHBondContact O-CG2 3.44Å; S371-I374 PolarHBondContact O-N 3.34Å
372	T	95.3	Very high	92.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-64.2	-17.5	172.5	65.7	0	0	0	0	112.7	G308 R309 L311 I374 Q375 Y422 Q426	G308-T372 VanDerWaalsContact CA-OG1 3.3Å; G308-T372 WeakPolarHBondContact CA-OG1 3.39Å; R309-T372 PolarHBondContact N-OG1 3.21Å; R309-T372 PolarHBondContact O-N 2.68Å; R309-T372 PolarHBondContact O-OG1 3Å; L311-T372 HydrophobicContact CD2-CG2 4.19Å; L311-T372 HydrophobicContact CG-CG2 4.32Å; T372-I374 PolarHBondContact O-N 3.37Å; T372-Q375 WeakPolarHBondContact O-CB 3.34Å; T372-Q375 WeakPolarHBondContact O-CG 3.5Å; T372-Q375 PolarHBondContact O-N 3.24Å; T372-Q375 PolarHBondContact O-NE2 3.22Å; T372-Y422 HydrophobicContact CG2-CD1 4.37Å; T372-Y422 WeakPolarHBondContact CG2-O 3.5Å; T372-Q426 HydrophobicContact CG2-CB 3.97Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.46Å; T372-Q426 PolarHBondContact OG1-OE1 3.38Å
373	A	94.8	Very high	93.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-62.8	-19.6	175.3	0	0	0	0	0	113.3	M267 C303 D304 S371 Q375 E376	M267-A373 HydrophobicContact SD-CB 4.43Å; C303-A373 HydrophobicContact CB-CB 4.33Å; C303-A373 WeakPolarHBondContact CB-O 3.29Å; D304-A373 WeakPolarHBondContact O-CB 3.49Å; S371-A373 PolarHBondContact O-N 3.49Å; S371-A373 WeakPolarHBondContact OG-CB 3.38Å; S371-A373 PolarHBondContact OG-N 2.84Å; A373-Q375 PolarHBondContact O-N 3.41Å; A373-E376 WeakPolarHBondContact O-CB 3.37Å; A373-E376 PolarHBondContact O-N 3.11Å
374	I	94.6	Very high	93.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-58.2	-20.7	175.6	-162.4	71.2	0	0	0	112.4	C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422	C201-I374 HydrophobicContact CB-CD1 4Å; F265-I374 HydrophobicContact CB-CG1 4.3Å; M267-I374 HydrophobicContact CG-CB 4.35Å; M267-I374 HydrophobicContact CG-CD1 3.56Å; M267-I374 HydrophobicContact CG-CG1 4.46Å; M267-I374 HydrophobicContact SD-CB 4.44Å; M267-I374 HydrophobicContact SD-CD1 4.4Å; A301-I374 HydrophobicContact CB-CD1 4.19Å; S371-I374 VanDerWaalsContact O-CG2 3.25Å; S371-I374 WeakPolarHBondContact O-CG2 3.44Å; S371-I374 PolarHBondContact O-N 3.34Å; T372-I374 PolarHBondContact O-N 3.37Å; I374-E376 PolarHBondContact O-N 2.84Å; I374-E376 VanDerWaalsContact O-N 3.14Å; I374-L377 HydrophobicContact CD1-CB 4.43Å; I374-L377 HydrophobicContact CD1-CD1 4.42Å; I374-L377 WeakPolarHBondContact O-CB 3.3Å; I374-L377 PolarHBondContact O-N 3.5Å; I374-F378 HydrophobicContact CG1-CD2 4.46Å; I374-F378 HydrophobicContact CG1-CE2 3.89Å; I374-F378 HydrophobicContact CG2-CD2 4.47Å; I374-F378 HydrophobicContact CG2-CE2 4.09Å; I374-F378 WeakPolarHBondContact O-CD2 3.46Å; I374-F378 PolarHBondContact O-N 2.84Å; I374-Y422 HydrophobicContact CG2-CD1 4.06Å; I374-Y422 HydrophobicContact CG2-CD2 4Å; I374-Y422 HydrophobicContact CG2-CE1 3.61Å; I374-Y422 HydrophobicContact CG2-CE2 3.56Å; I374-Y422 HydrophobicContact CG2-CG 4.24Å
375	Q	93.1	Very high	93.3	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.033	9%	0.09	C	C	.	.	H	α-helix	trans	-55.9	-27.7	173.3	74.4	174.2	-64.5	0	0	113.3	T372 A373 L377 F378 K379 V419 Q423	T372-Q375 WeakPolarHBondContact O-CB 3.34Å; T372-Q375 WeakPolarHBondContact O-CG 3.5Å; T372-Q375 PolarHBondContact O-N 3.24Å; T372-Q375 PolarHBondContact O-NE2 3.22Å; A373-Q375 PolarHBondContact O-N 3.41Å; Q375-L377 VanDerWaalsContact C-N 3.3Å; Q375-L377 PolarHBondContact O-N 3.33Å; Q375-F378 PolarHBondContact O-N 3.05Å; Q375-K379 WeakPolarHBondContact O-CB 3.47Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.03Å; Q375-K379 PolarHBondContact O-N 3.26Å; Q375-V419 HydrophobicContact CB-CG1 4.39Å; Q375-Q423 VanDerWaalsContact NE2-OE1 3.08Å; Q375-Q423 VanDerWaalsContact OE1-OE1 3.04Å
376	E	92.2	Very high	93.4	Very high	65 Å²	65	20.7 Å²	20.7	30%	0.304	10%	0.096	S	C	.	.	H	α-helix	trans	-62.5	-39.3	176.4	-65.9	-172.4	151.4	0	0	111.6	C303 D304 H307 A373 I374 K379 R380	C303-E376 VanDerWaalsContact CA-OE2 3.29Å; C303-E376 WeakPolarHBondContact CA-OE2 3.49Å; C303-E376 HydrophobicContact CB-CB 4.23Å; D304-E376 PolarHBondContact N-OE2 3.38Å; H307-E376 IonicContact CE1-OE1 2.76Å; H307-E376 IonicContact CG-OE1 4Å; H307-E376 IonicContact ND1-OE1 3.78Å; H307-E376 PolarHBondContact ND1-OE1 3.45Å; A373-E376 WeakPolarHBondContact O-CB 3.37Å; A373-E376 PolarHBondContact O-N 3.11Å; I374-E376 PolarHBondContact O-N 2.84Å; I374-E376 VanDerWaalsContact O-N 3.14Å; E376-K379 PolarHBondContact O-N 3.46Å; E376-R380 WeakPolarHBondContact O-CB 3.47Å; E376-R380 PolarHBondContact O-N 3.43Å
377	L	92.1	Very high	93.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-45	176.9	180	145.4	0	0	0	110.8	V170 D203 A301 I374 Q375 R380 I381	V170-L377 HydrophobicContact CB-CD1 4.32Å; V170-L377 HydrophobicContact CG1-CD1 4.17Å; V170-L377 HydrophobicContact CG1-CD2 4.01Å; V170-L377 HydrophobicContact CG1-CG 4.14Å; V170-L377 HydrophobicContact CG2-CD1 4.06Å; V170-L377 HydrophobicContact CG2-CD2 4.06Å; D203-L377 HydrophobicContact CB-CD1 4.13Å; A301-L377 HydrophobicContact CB-CD1 4.41Å; I374-L377 HydrophobicContact CD1-CB 4.43Å; I374-L377 HydrophobicContact CD1-CD1 4.42Å; I374-L377 WeakPolarHBondContact O-CB 3.3Å; I374-L377 PolarHBondContact O-N 3.5Å; Q375-L377 VanDerWaalsContact C-N 3.3Å; Q375-L377 PolarHBondContact O-N 3.33Å; L377-R380 PolarHBondContact O-N 3.02Å; L377-I381 HydrophobicContact CD2-CD1 3.84Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 2.72Å
378	F	93.4	Very high	93.3	Very high	2 Å²	2	25 Å²	25	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-68.9	-40.3	178.1	-65.1	-59.6	0	0	0	112.4	V189 F265 I374 Q375 R380 I381 S382 M415 L418 V419 Y422	V189-F378 HydrophobicContact CG1-CD1 4.14Å; V189-F378 HydrophobicContact CG1-CE1 3.73Å; V189-F378 HydrophobicContact CG2-CD1 4.46Å; V189-F378 HydrophobicContact CG2-CE1 3.98Å; F265-F378 HydrophobicContact CB-CE2 4.29Å; F265-F378 HydrophobicContact CB-CZ 4.14Å; F265-F378 AromaticContact CD1-CZ 3.74Å; F265-F378 HydrophobicContact CD1-CZ 3.74Å; F265-F378 HydrophobicContact CD2-CE2 4.17Å; F265-F378 AromaticContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CE1-CZ 4.07Å; F265-F378 HydrophobicContact CE2-CZ 4.19Å; F265-F378 HydrophobicContact CG-CE2 4.12Å; F265-F378 AromaticContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CZ-CZ 4.29Å; I374-F378 HydrophobicContact CG1-CD2 4.46Å; I374-F378 HydrophobicContact CG1-CE2 3.89Å; I374-F378 HydrophobicContact CG2-CD2 4.47Å; I374-F378 HydrophobicContact CG2-CE2 4.09Å; I374-F378 WeakPolarHBondContact O-CD2 3.46Å; I374-F378 PolarHBondContact O-N 2.84Å; Q375-F378 PolarHBondContact O-N 3.05Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 3.43Å; F378-I381 PolarHBondContact O-N 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.26Å; F378-S382 PolarHBondContact O-N 2.87Å; F378-M415 HydrophobicContact CB-CG 4.48Å; F378-L418 HydrophobicContact CD1-CD2 4.49Å; F378-L418 HydrophobicContact CD2-CD2 4.14Å; F378-L418 HydrophobicContact CE1-CD2 4.23Å; F378-L418 HydrophobicContact CE2-CD2 3.85Å; F378-L418 HydrophobicContact CG-CD2 4.45Å; F378-L418 HydrophobicContact CZ-CD2 3.91Å; F378-V419 HydrophobicContact CB-CG2 3.56Å; F378-Y422 HydrophobicContact CD2-CE2 4.47Å; F378-Y422 HydrophobicContact CE2-CE2 4.07Å
379	K	92.9	Very high	93.2	Very high	82 Å²	82	26.4 Å²	26.4	36%	0.357	13%	0.132	S	C	.	.	H	α-helix	trans	-58	-43.6	173.6	-76.4	176.5	-173.7	175.2	0	111.4	Q375 E376 I381 S382 E383 V419	Q375-K379 WeakPolarHBondContact O-CB 3.47Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.03Å; Q375-K379 PolarHBondContact O-N 3.26Å; E376-K379 PolarHBondContact O-N 3.46Å; K379-I381 PolarHBondContact O-N 3.03Å; K379-S382 PolarHBondContact O-N 3.46Å; K379-E383 WeakPolarHBondContact O-CG 3.06Å; K379-E383 PolarHBondContact O-N 3.31Å; K379-V419 HydrophobicContact CD-CG1 4.27Å; K379-V419 HydrophobicContact CG-CG1 3.88Å; K379-V419 HydrophobicContact CG-CG2 4.34Å
380	R	91.4	Very high	93.2	Very high	41 Å²	41	36.3 Å²	36.3	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-44.8	177.1	-174.3	-174.1	65.7	-155	-12.1	112.2	D203 E205 E376 L377 F378 Q384	D203-R380 VanDerWaalsContact CG-NH2 3.34Å; D203-R380 IonicContact OD1-NH1 3.02Å; D203-R380 IonicContact OD1-NH2 3.9Å; D203-R380 PolarHBondContact OD1-NH2 3.31Å; D203-R380 IonicContact OD2-CZ 2.73Å; D203-R380 VanDerWaalsContact OD2-CZ 3.26Å; D203-R380 IonicContact OD2-NH1 3.45Å; D203-R380 PolarHBondContact OD2-NH1 3.15Å; D203-R380 IonicContact OD2-NH2 2.86Å; D203-R380 PolarHBondContact OD2-NH2 3.02Å; E205-R380 IonicContact OE2-CZ 2.74Å; E205-R380 IonicContact OE2-NE 3.57Å; E205-R380 IonicContact OE2-NH1 3.92Å; E205-R380 PolarHBondContact OE2-NH1 2.86Å; E376-R380 WeakPolarHBondContact O-CB 3.47Å; E376-R380 PolarHBondContact O-N 3.43Å; L377-R380 PolarHBondContact O-N 3.02Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 3.43Å; R380-Q384 WeakPolarHBondContact O-CG 3.48Å; R380-Q384 PolarHBondContact O-N 3.04Å
381	I	91.3	Very high	93.2	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-44.5	177.7	-61.9	166.9	0	0	0	110.1	V170 A185 L377 F378 K379 E383 Q384 F385 M415	V170-I381 HydrophobicContact CG1-CD1 3.6Å; V170-I381 HydrophobicContact CG1-CG1 4.34Å; A185-I381 HydrophobicContact CB-CG2 3.96Å; L377-I381 HydrophobicContact CD2-CD1 3.84Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 2.72Å; F378-I381 PolarHBondContact O-N 3.3Å; K379-I381 PolarHBondContact O-N 3.03Å; I381-E383 PolarHBondContact O-N 3.44Å; I381-Q384 PolarHBondContact O-N 2.83Å; I381-F385 WeakPolarHBondContact O-CB 3.13Å; I381-F385 PolarHBondContact O-N 2.81Å; I381-M415 HydrophobicContact CB-SD 4.44Å; I381-M415 HydrophobicContact CG2-CE 4.39Å; I381-M415 HydrophobicContact CG2-SD 4.19Å
382	S	93.1	Very high	93	Very high	9 Å²	9	52 Å²	52	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-49.2	177.6	-167.5	0	0	0	0	111.8	F378 K379 Q384 F385 T386 M415 N416	F378-S382 WeakPolarHBondContact O-CB 3.26Å; F378-S382 PolarHBondContact O-N 2.87Å; K379-S382 PolarHBondContact O-N 3.46Å; S382-Q384 VanDerWaalsContact C-N 3.33Å; S382-Q384 PolarHBondContact O-N 3.31Å; S382-F385 WeakPolarHBondContact O-CB 3.47Å; S382-F385 PolarHBondContact O-N 3.32Å; S382-T386 WeakPolarHBondContact O-CB 3.1Å; S382-T386 PolarHBondContact O-N 3.04Å; S382-T386 PolarHBondContact O-OG1 2.8Å; S382-M415 VanDerWaalsContact CA-CE 3.45Å; S382-N416 PolarHBondContact OG-OD1 3.34Å
383	E	92.5	Very high	92.8	Very high	139 Å²	139	53.2 Å²	53.2	65%	0.65	24%	0.243	S	C	*	.	H	α-helix	trans	-59.4	-42.2	178.6	-75	177	-174.3	0	0	112.7	K379 I381 A387	K379-E383 WeakPolarHBondContact O-CG 3.06Å; K379-E383 PolarHBondContact O-N 3.31Å; I381-E383 PolarHBondContact O-N 3.44Å; E383-A387 WeakPolarHBondContact O-CB 3.39Å; E383-A387 PolarHBondContact O-N 3.32Å
384	Q	91.1	Very high	92.7	Very high	60 Å²	60	56.7 Å²	56.7	28%	0.28	26%	0.258	S	S	.	.	H	α-helix	trans	-68.2	-41.9	177.3	-68.5	175.3	7.9	0	0	111.7	P182 R380 I381 S382 A387 M388	P182-Q384 HydrophobicContact CB-CB 3.91Å; P182-Q384 HydrophobicContact CG-CB 3.7Å; R380-Q384 WeakPolarHBondContact O-CG 3.48Å; R380-Q384 PolarHBondContact O-N 3.04Å; I381-Q384 PolarHBondContact O-N 2.83Å; S382-Q384 VanDerWaalsContact C-N 3.33Å; S382-Q384 PolarHBondContact O-N 3.31Å; Q384-A387 PolarHBondContact O-N 3.02Å; Q384-M388 WeakPolarHBondContact O-CG 3.19Å; Q384-M388 PolarHBondContact O-N 2.55Å
385	F	93.8	Very high	92.6	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-54.4	174.5	176.2	-82.4	0	0	0	110.7	P182 Y183 T186 I381 S382 A387 M388 F389 F408 E412	P182-F385 HydrophobicContact CB-CB 4.29Å; Y183-F385 AromaticContact CD1-CD2 3.59Å; Y183-F385 HydrophobicContact CD1-CD2 3.59Å; Y183-F385 AromaticContact CD1-CE2 3.42Å; Y183-F385 HydrophobicContact CD1-CE2 3.42Å; Y183-F385 VanDerWaalsContact CD1-CE2 3.42Å; Y183-F385 HydrophobicContact CD1-CZ 4.2Å; Y183-F385 HydrophobicContact CE1-CD2 4.17Å; Y183-F385 AromaticContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CE2 4Å; Y183-F385 HydrophobicContact CE1-CZ 4.37Å; Y183-F385 HydrophobicContact CG-CD2 4.48Å; T186-F385 VanDerWaalsContact CB-CD2 3.46Å; T186-F385 HydrophobicContact CG2-CD2 3.78Å; T186-F385 HydrophobicContact CG2-CE2 3.68Å; T186-F385 HydrophobicContact CG2-CG 4.26Å; T186-F385 HydrophobicContact CG2-CZ 4.17Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.3Å; I381-F385 WeakPolarHBondContact O-CB 3.13Å; I381-F385 PolarHBondContact O-N 2.81Å; S382-F385 WeakPolarHBondContact O-CB 3.47Å; S382-F385 PolarHBondContact O-N 3.32Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 3.36Å; F385-M388 PolarHBondContact O-N 3.5Å; F385-F389 HydrophobicContact CD1-CB 4.22Å; F385-F389 HydrophobicContact CE1-CB 3.9Å; F385-F389 HydrophobicContact CE1-CD1 4.1Å; F385-F389 AromaticContact CE1-CG 4Å; F385-F389 HydrophobicContact CE1-CG 4Å; F385-F389 HydrophobicContact CZ-CB 4.44Å; F385-F389 HydrophobicContact CZ-CG 4.33Å; F385-F389 WeakPolarHBondContact O-CB 3.32Å; F385-F389 PolarHBondContact O-N 3.12Å; F385-F408 AromaticContact CE2-CD1 3.92Å; F385-F408 HydrophobicContact CE2-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CB 4.08Å; F385-F408 AromaticContact CZ-CD1 3.91Å; F385-F408 HydrophobicContact CZ-CD1 3.91Å; F385-F408 WeakPolarHBondContact CZ-O 3.44Å; F385-E412 HydrophobicContact CD1-CB 4.19Å; F385-E412 HydrophobicContact CD1-CG 3.99Å; F385-E412 HydrophobicContact CE1-CB 3.61Å; F385-E412 HydrophobicContact CE1-CG 3.83Å; F385-E412 HydrophobicContact CZ-CB 4.2Å
386	T	94.3	Very high	92.6	Very high	23 Å²	23	62.5 Å²	62.5	14%	0.141	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-39.7	-178.7	-55.9	0	0	0	0	111.1	S382 M388 F389 R390 E412	S382-T386 WeakPolarHBondContact O-CB 3.1Å; S382-T386 PolarHBondContact O-N 3.04Å; S382-T386 PolarHBondContact O-OG1 2.8Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 2.98Å; T386-F389 PolarHBondContact O-N 3.37Å; T386-R390 HydrophobicContact CG2-CG 4.15Å; T386-R390 VanDerWaalsContact CG2-NE 3.28Å; T386-R390 VanDerWaalsContact O-CB 3.32Å; T386-R390 WeakPolarHBondContact O-CB 3.48Å; T386-R390 VanDerWaalsContact O-CG 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.16Å; T386-R390 PolarHBondContact O-N 3.08Å; T386-E412 WeakPolarHBondContact CB-OE1 3.35Å; T386-E412 PolarHBondContact OG1-OE1 2.97Å
387	A	92.6	Very high	92.6	Very high	54 Å²	54	64.8 Å²	64.8	45%	0.446	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-37.9	177.6	0	0	0	0	0	112.8	E383 Q384 F385	E383-A387 WeakPolarHBondContact O-CB 3.39Å; E383-A387 PolarHBondContact O-N 3.32Å; Q384-A387 PolarHBondContact O-N 3.02Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 3.36Å
388	M	92.4	Very high	92.7	Very high	37 Å²	37	64.8 Å²	64.8	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-75.4	-47.2	176.3	-71.4	-77.5	-72.8	0	0	111.7	V179 Y183 Q384 F385 T386 R390 R391 K392 A393 F394	V179-M388 HydrophobicContact CB-CE 4.33Å; V179-M388 HydrophobicContact CG2-CE 4.43Å; V179-M388 VanDerWaalsContact O-CE 3.25Å; V179-M388 WeakPolarHBondContact O-CE 3.06Å; Y183-M388 HydrophobicContact CE1-CB 4.36Å; Y183-M388 HydrophobicContact CE2-CB 3.99Å; Y183-M388 HydrophobicContact CE2-CE 3.97Å; Y183-M388 PolarHBondContact OH-O 3.41Å; Q384-M388 WeakPolarHBondContact O-CG 3.19Å; Q384-M388 PolarHBondContact O-N 2.55Å; F385-M388 PolarHBondContact O-N 3.5Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 2.98Å; M388-R390 PolarHBondContact O-N 3.36Å; M388-R391 PolarHBondContact O-N 3.08Å; M388-R391 VanDerWaalsContact O-N 3.09Å; M388-K392 PolarHBondContact O-N 3.47Å; M388-A393 HydrophobicContact CE-CB 4.16Å; M388-A393 PolarHBondContact O-N 2.87Å; M388-A393 HydrophobicContact SD-CB 4.3Å; M388-F394 HydrophobicContact CE-CD2 3.78Å; M388-F394 HydrophobicContact CE-CE2 4.28Å
389	F	93.4	Very high	92.7	Very high	30 Å²	30	67.3 Å²	67.3	13%	0.132	31%	0.306	C	S	.	.	H	α-helix	trans	-66.2	-39.4	-174.5	-169.9	-124.1	0	0	0	112.3	Y183 F385 T386 R391 K392 L395 F408	Y183-F389 HydrophobicContact CE1-CB 3.98Å; Y183-F389 HydrophobicContact CE1-CD2 4.07Å; Y183-F389 HydrophobicContact CE1-CG 4.46Å; Y183-F389 VanDerWaalsContact OH-CA 3.31Å; Y183-F389 WeakPolarHBondContact OH-CA 3.22Å; Y183-F389 PolarHBondContact OH-N 3.15Å; F385-F389 HydrophobicContact CD1-CB 4.22Å; F385-F389 HydrophobicContact CE1-CB 3.9Å; F385-F389 HydrophobicContact CE1-CD1 4.1Å; F385-F389 AromaticContact CE1-CG 4Å; F385-F389 HydrophobicContact CE1-CG 4Å; F385-F389 HydrophobicContact CZ-CB 4.44Å; F385-F389 HydrophobicContact CZ-CG 4.33Å; F385-F389 WeakPolarHBondContact O-CB 3.32Å; F385-F389 PolarHBondContact O-N 3.12Å; T386-F389 PolarHBondContact O-N 3.37Å; F389-R391 PolarHBondContact O-N 3.3Å; F389-R391 VanDerWaalsContact O-N 3.11Å; F389-K392 WeakPolarHBondContact O-CA 3.36Å; F389-K392 PolarHBondContact O-N 3.07Å; F389-L395 HydrophobicContact CD2-CD1 4.38Å; F389-L395 HydrophobicContact CE2-CD1 4.11Å; F389-L395 HydrophobicContact CE2-CD2 4.18Å; F389-F408 HydrophobicContact CD2-CB 4.21Å; F389-F408 HydrophobicContact CD2-CD1 4.45Å; F389-F408 HydrophobicContact CD2-CG 4.49Å; F389-F408 HydrophobicContact CE2-CB 3.56Å; F389-F408 HydrophobicContact CE2-CD1 4.41Å; F389-F408 HydrophobicContact CE2-CG 4.01Å; F389-F408 HydrophobicContact CZ-CB 3.75Å
390	R	93.3	Very high	92.7	Very high	209 Å²	209	66.3 Å²	66.3	79%	0.789	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.9	173.3	-77.5	179.3	-174.8	173.7	8.4	113.5	T386 M388	T386-R390 HydrophobicContact CG2-CG 4.15Å; T386-R390 VanDerWaalsContact CG2-NE 3.28Å; T386-R390 VanDerWaalsContact O-CB 3.32Å; T386-R390 WeakPolarHBondContact O-CB 3.48Å; T386-R390 VanDerWaalsContact O-CG 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.16Å; T386-R390 PolarHBondContact O-N 3.08Å; M388-R390 PolarHBondContact O-N 3.36Å
391	R	93.9	Very high	92.7	Very high	215 Å²	215	66.9 Å²	66.9	81%	0.811	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-2.9	177.5	-63	178.4	-177.5	175.4	3	112.7	M388 F389 A393	M388-R391 PolarHBondContact O-N 3.08Å; M388-R391 VanDerWaalsContact O-N 3.09Å; F389-R391 PolarHBondContact O-N 3.3Å; F389-R391 VanDerWaalsContact O-N 3.11Å; R391-A393 HydrophobicContact CB-CB 4.47Å; R391-A393 PolarHBondContact O-N 3.02Å; R391-A393 VanDerWaalsContact O-N 3.12Å
392	K	92.1	Very high	92.6	Very high	113 Å²	113	69.9 Å²	69.9	49%	0.491	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	32.9	-171.4	-59.2	-169.1	166.6	-150	0	112.6	M388 F389 F394 L395 E405	M388-K392 PolarHBondContact O-N 3.47Å; F389-K392 WeakPolarHBondContact O-CA 3.36Å; F389-K392 PolarHBondContact O-N 3.07Å; K392-F394 PolarHBondContact O-N 2.86Å; K392-L395 HydrophobicContact CB-CD2 4.1Å; K392-L395 HydrophobicContact CD-CD2 4.32Å; K392-L395 HydrophobicContact CG-CD2 4.15Å; K392-E405 IonicContact NZ-OE1 2.82Å; K392-E405 PolarHBondContact NZ-OE1 3Å; K392-E405 IonicContact NZ-OE2 2.64Å; K392-E405 PolarHBondContact NZ-OE2 2.71Å
393	A	91	Very high	92.7	Very high	27 Å²	27	69.8 Å²	69.8	22%	0.223	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	132.9	-177.8	0	0	0	0	0	109.7	Y183 M388 R391 L395	Y183-A393 VanDerWaalsContact CE2-O 3.23Å; Y183-A393 WeakPolarHBondContact CE2-O 3.34Å; Y183-A393 PolarHBondContact OH-O 2.9Å; M388-A393 HydrophobicContact CE-CB 4.16Å; M388-A393 PolarHBondContact O-N 2.87Å; M388-A393 HydrophobicContact SD-CB 4.3Å; R391-A393 HydrophobicContact CB-CB 4.47Å; R391-A393 PolarHBondContact O-N 3.02Å; R391-A393 VanDerWaalsContact O-N 3.12Å; A393-L395 PolarHBondContact O-N 2.76Å
394	F	92.8	Very high	92.7	Very high	74 Å²	74	67.9 Å²	67.9	33%	0.325	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	8.7	179.5	-55.3	-79.4	0	0	0	116.4	V179 V180 M388 K392 H396 W397	V179-F394 HydrophobicContact CG2-CD2 4.05Å; V179-F394 HydrophobicContact CG2-CE2 3.52Å; V179-F394 HydrophobicContact CG2-CZ 3.95Å; V180-F394 HydrophobicContact CG1-CB 3.79Å; V180-F394 HydrophobicContact CG1-CD2 4.13Å; V180-F394 HydrophobicContact CG1-CG 3.92Å; M388-F394 HydrophobicContact CE-CD2 3.78Å; M388-F394 HydrophobicContact CE-CE2 4.28Å; K392-F394 PolarHBondContact O-N 2.86Å; F394-H396 VanDerWaalsContact C-N 3.27Å; F394-H396 PolarHBondContact O-N 2.74Å; F394-W397 HydrophobicContact CD1-CD2 4.32Å; F394-W397 HydrophobicContact CD1-CE3 4.42Å; F394-W397 AromaticContact CD1-CH2 3.97Å; F394-W397 HydrophobicContact CD1-CH2 3.97Å; F394-W397 AromaticContact CD1-CZ2 3.84Å; F394-W397 HydrophobicContact CD1-CZ2 3.84Å; F394-W397 HydrophobicContact CD1-CZ3 4.26Å; F394-W397 HydrophobicContact CE1-CH2 4.21Å; F394-W397 HydrophobicContact CE1-CZ2 4.16Å; F394-W397 WeakPolarHBondContact O-CB 3.46Å; F394-W397 PolarHBondContact O-N 2.81Å; F394-W397 VanDerWaalsContact O-N 3.1Å
395	L	92.5	Very high	92.8	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.026	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.5	-176	-167.6	60.6	0	0	0	113	F389 K392 A393 W397 Y398 T399 E405 F408	F389-L395 HydrophobicContact CD2-CD1 4.38Å; F389-L395 HydrophobicContact CE2-CD1 4.11Å; F389-L395 HydrophobicContact CE2-CD2 4.18Å; K392-L395 HydrophobicContact CB-CD2 4.1Å; K392-L395 HydrophobicContact CD-CD2 4.32Å; K392-L395 HydrophobicContact CG-CD2 4.15Å; A393-L395 PolarHBondContact O-N 2.76Å; L395-W397 PolarHBondContact O-N 3.36Å; L395-W397 VanDerWaalsContact O-N 3.11Å; L395-Y398 PolarHBondContact O-N 3Å; L395-T399 HydrophobicContact CG-CG2 4.2Å; L395-T399 PolarHBondContact O-N 3.31Å; L395-E405 HydrophobicContact CD2-CG 3.81Å; L395-E405 VanDerWaalsContact CD2-OE1 3.29Å; L395-E405 WeakPolarHBondContact CD2-OE1 3.37Å; L395-F408 HydrophobicContact CD1-CD1 4.23Å; L395-F408 HydrophobicContact CD1-CD2 3.93Å; L395-F408 HydrophobicContact CD1-CE1 4.09Å; L395-F408 HydrophobicContact CD1-CE2 3.78Å; L395-F408 HydrophobicContact CD1-CG 4.16Å; L395-F408 HydrophobicContact CD1-CZ 3.88Å
396	H	92	Very high	92.7	Very high	124 Å²	124	74.1 Å²	74.1	57%	0.574	38%	0.378	S	S	*	.	H	α-helix	trans	-59.5	-20.3	176.9	70.2	-73.4	0	0	0	114.6	F394 Y398 T399 G400	F394-H396 VanDerWaalsContact C-N 3.27Å; F394-H396 PolarHBondContact O-N 2.74Å; H396-Y398 VanDerWaalsContact C-N 3.31Å; H396-T399 WeakPolarHBondContact CA-OG1 3.42Å; H396-G400 PolarHBondContact O-N 3.35Å; H396-G400 VanDerWaalsContact O-N 3.08Å
397	W	92.5	Very high	92.7	Very high	112 Å²	112	75.3 Å²	75.3	42%	0.424	38%	0.382	S	S	.	.	H	α-helix	trans	-71.6	-29.7	173.9	-67.5	1.8	0	0	0	111.9	N100 V180 F394 L395 E401	N100-W397 PolarHBondContact ND2-O 2.91Å; V180-W397 HydrophobicContact CG1-CZ3 4.47Å; F394-W397 HydrophobicContact CD1-CD2 4.32Å; F394-W397 HydrophobicContact CD1-CE3 4.42Å; F394-W397 AromaticContact CD1-CH2 3.97Å; F394-W397 HydrophobicContact CD1-CH2 3.97Å; F394-W397 AromaticContact CD1-CZ2 3.84Å; F394-W397 HydrophobicContact CD1-CZ2 3.84Å; F394-W397 HydrophobicContact CD1-CZ3 4.26Å; F394-W397 HydrophobicContact CE1-CH2 4.21Å; F394-W397 HydrophobicContact CE1-CZ2 4.16Å; F394-W397 WeakPolarHBondContact O-CB 3.46Å; F394-W397 PolarHBondContact O-N 2.81Å; F394-W397 VanDerWaalsContact O-N 3.1Å; L395-W397 PolarHBondContact O-N 3.36Å; L395-W397 VanDerWaalsContact O-N 3.11Å; W397-E401 WeakPolarHBondContact O-CG 3.4Å
398	Y	94.8	Very high	92.8	Very high	1 Å²	1	72.7 Å²	72.7	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-89.8	-45.2	-179.7	-61	-99.4	0	0	0	110.6	N100 W101 A102 Y183 N184 L187 L395 H396 G400 E401 M403 F408	N100-Y398 WeakPolarHBondContact OD1-CD1 3.44Å; W101-Y398 HydrophobicContact CB-CE1 4.1Å; A102-Y398 HydrophobicContact CB-CD1 3.97Å; Y183-Y398 WeakPolarHBondContact CB-OH 3.49Å; Y183-Y398 HydrophobicContact CD2-CE2 4.07Å; Y183-Y398 HydrophobicContact CG-CE2 4.43Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.46Å; N184-Y398 PolarHBondContact OD1-OH 2.97Å; L187-Y398 HydrophobicContact CD1-CD1 4.31Å; L187-Y398 HydrophobicContact CD1-CE1 4.27Å; L395-Y398 PolarHBondContact O-N 3Å; H396-Y398 VanDerWaalsContact C-N 3.31Å; Y398-G400 PolarHBondContact O-N 3.33Å; Y398-E401 PolarHBondContact O-N 3.06Å; Y398-M403 HydrophobicContact CD1-SD 4.18Å; Y398-M403 PolarHBondContact O-N 2.88Å; Y398-F408 HydrophobicContact CD1-CE1 4.42Å; Y398-F408 AromaticContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD2-CZ 4.01Å; Y398-F408 HydrophobicContact CE1-CZ 4.4Å; Y398-F408 HydrophobicContact CG-CE1 4.35Å; Y398-F408 HydrophobicContact CG-CE2 4.33Å; Y398-F408 AromaticContact CG-CZ 3.49Å; Y398-F408 HydrophobicContact CG-CZ 3.49Å; Y398-F408 VanDerWaalsContact CG-CZ 3.49Å
399	T	93.4	Very high	92.9	Very high	56 Å²	56	74.3 Å²	74.3	34%	0.344	37%	0.373	S	S	.	.	H	α-helix	trans	-68.1	-26.7	178.2	63.6	0	0	0	0	112.7	L395 H396 E401 G402 M403 E405	L395-T399 HydrophobicContact CG-CG2 4.2Å; L395-T399 PolarHBondContact O-N 3.31Å; H396-T399 WeakPolarHBondContact CA-OG1 3.42Å; T399-E401 PolarHBondContact O-N 3.38Å; T399-G402 PolarHBondContact O-N 3.06Å; T399-G402 VanDerWaalsContact O-N 3.17Å; T399-M403 VanDerWaalsContact CA-O 3.3Å; T399-M403 WeakPolarHBondContact CA-O 3.48Å; T399-M403 WeakPolarHBondContact CG2-O 2.88Å; T399-E405 HydrophobicContact CG2-CG 4.37Å
400	G	92.4	Very high	92.9	Very high	61 Å²	61	77.9 Å²	77.9	63%	0.629	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.1	171.5	0	0	0	0	0	114.1	H396 Y398	H396-G400 PolarHBondContact O-N 3.35Å; H396-G400 VanDerWaalsContact O-N 3.08Å; Y398-G400 PolarHBondContact O-N 3.33Å
401	E	92.4	Very high	93	Very high	53 Å²	53	68 Å²	68	25%	0.248	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.2	177.4	-55.6	-66.4	147.1	0	0	112.2	A102 K103 T107 W397 Y398 T399	A102-E401 HydrophobicContact CB-CB 3.76Å; A102-E401 HydrophobicContact CB-CG 4.17Å; K103-E401 VanDerWaalsContact CE-CD 3.44Å; K103-E401 WeakPolarHBondContact CE-OE1 3.41Å; K103-E401 VanDerWaalsContact CG-CD 3.46Å; K103-E401 HydrophobicContact CG-CG 3.74Å; K103-E401 WeakPolarHBondContact CG-OE2 3.33Å; K103-E401 IonicContact NZ-OE1 2.85Å; T107-E401 HydrophobicContact CG2-CB 4.24Å; T107-E401 VanDerWaalsContact CG2-OE2 3.26Å; T107-E401 WeakPolarHBondContact CG2-OE2 3Å; T107-E401 PolarHBondContact OG1-OE2 2.92Å; W397-E401 WeakPolarHBondContact O-CG 3.4Å; Y398-E401 PolarHBondContact O-N 3.06Å; T399-E401 PolarHBondContact O-N 3.38Å
402	G	89.4	Confident	93	Very high	65 Å²	65	59.2 Å²	59.2	67%	0.67	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	0.3	174.1	0	0	0	0	0	116.1	T399	T399-G402 PolarHBondContact O-N 3.06Å; T399-G402 VanDerWaalsContact O-N 3.17Å
403	M	94.4	Very high	93.1	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.034	32%	0.318	C	S	.	.			trans	-73.1	145	175.2	-73.9	-173.7	77.6	0	0	112.9	W101 A102 Y106 L187 Y398 T399 E407 F408	W101-M403 HydrophobicContact CE3-CE 4.07Å; W101-M403 HydrophobicContact CE3-SD 3.79Å; W101-M403 HydrophobicContact CZ3-CE 3.72Å; W101-M403 HydrophobicContact CZ3-SD 3.81Å; A102-M403 HydrophobicContact CB-CG 3.95Å; A102-M403 HydrophobicContact CB-SD 3.47Å; A102-M403 WeakPolarHBondContact CB-SD 3.34Å; Y106-M403 HydrophobicContact CD2-CG 3.64Å; Y106-M403 HydrophobicContact CD2-SD 4.28Å; Y106-M403 HydrophobicContact CE2-CE 4.32Å; Y106-M403 HydrophobicContact CE2-CG 3.37Å; Y106-M403 HydrophobicContact CE2-SD 3.96Å; L187-M403 HydrophobicContact CD1-CE 3.86Å; L187-M403 HydrophobicContact CD1-SD 4.37Å; L187-M403 HydrophobicContact CD2-CE 3.76Å; L187-M403 HydrophobicContact CG-CE 4.46Å; Y398-M403 HydrophobicContact CD1-SD 4.18Å; Y398-M403 PolarHBondContact O-N 2.88Å; T399-M403 VanDerWaalsContact CA-O 3.3Å; T399-M403 WeakPolarHBondContact CA-O 3.48Å; T399-M403 WeakPolarHBondContact CG2-O 2.88Å; M403-E407 HydrophobicContact CE-CB 3.98Å; M403-E407 WeakPolarHBondContact CE-OE2 3.49Å; M403-F408 HydrophobicContact CB-CE2 4.43Å; M403-F408 HydrophobicContact CE-CD2 4.43Å; M403-F408 HydrophobicContact CE-CE2 3.87Å; M403-F408 HydrophobicContact CE-CZ 4.25Å; M403-F408 HydrophobicContact SD-CE2 4.28Å; M403-F408 HydrophobicContact SD-CZ 4.45Å
404	D	93.1	Very high	93.3	Very high	100 Å²	100	56.1 Å²	56.1	54%	0.535	31%	0.311	S	S	.	.			trans	-88.8	151	168.5	-158.1	-23.5	0	0	0	111.4	M406 E407	D404-M406 HydrophobicContact CB-CB 4.33Å; D404-M406 PolarHBondContact O-N 3.44Å; D404-M406 PolarHBondContact OD1-N 2.86Å; D404-E407 PolarHBondContact N-OE1 2.86Å; D404-E407 PolarHBondContact O-N 3.49Å
405	E	91.8	Very high	93.3	Very high	69 Å²	69	52.6 Å²	52.6	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-23	168.7	-57.1	-166.6	164.1	0	0	111.9	K392 L395 T399 F408 T409	K392-E405 IonicContact NZ-OE1 2.82Å; K392-E405 PolarHBondContact NZ-OE1 3Å; K392-E405 IonicContact NZ-OE2 2.64Å; K392-E405 PolarHBondContact NZ-OE2 2.71Å; L395-E405 HydrophobicContact CD2-CG 3.81Å; L395-E405 VanDerWaalsContact CD2-OE1 3.29Å; L395-E405 WeakPolarHBondContact CD2-OE1 3.37Å; T399-E405 HydrophobicContact CG2-CG 4.37Å; E405-F408 WeakPolarHBondContact O-CB 3.36Å; E405-F408 PolarHBondContact O-N 3.45Å; E405-T409 PolarHBondContact O-N 2.98Å; E405-T409 PolarHBondContact O-OG1 2.9Å
406	M	93.3	Very high	93.4	Very high	121 Å²	121	55.3 Å²	55.3	60%	0.596	31%	0.31	S	S	*	.	H	α-helix	trans	-63.2	-40	175.6	-170.4	164.2	-115.3	0	0	112	D404 F408 T409 E410	D404-M406 HydrophobicContact CB-CB 4.33Å; D404-M406 PolarHBondContact O-N 3.44Å; D404-M406 PolarHBondContact OD1-N 2.86Å; M406-F408 VanDerWaalsContact C-N 3.25Å; M406-F408 PolarHBondContact O-N 3.31Å; M406-T409 WeakPolarHBondContact O-CA 3.31Å; M406-T409 WeakPolarHBondContact O-CB 3.44Å; M406-T409 PolarHBondContact O-N 3.29Å; M406-E410 HydrophobicContact CG-CG 4.47Å; M406-E410 WeakPolarHBondContact O-CG 3.42Å; M406-E410 PolarHBondContact O-N 3.28Å
407	E	93.5	Very high	93.5	Very high	48 Å²	48	53.1 Å²	53.1	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-35.6	177.4	-70	176.8	-132.8	0	0	112.1	Y106 M403 D404 T409 A411	Y106-E407 PolarHBondContact OH-OE2 3.29Å; M403-E407 HydrophobicContact CE-CB 3.98Å; M403-E407 WeakPolarHBondContact CE-OE2 3.49Å; D404-E407 PolarHBondContact N-OE1 2.86Å; D404-E407 PolarHBondContact O-N 3.49Å; E407-T409 VanDerWaalsContact C-N 3.34Å; E407-A411 WeakPolarHBondContact O-CB 3.25Å; E407-A411 PolarHBondContact O-N 2.99Å
408	F	93.9	Very high	93.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-41	174.4	-75.8	-94.8	0	0	0	111.8	Y183 L187 F385 F389 L395 Y398 M403 E405 M406 E412	Y183-F408 AromaticContact CD1-CD1 3.75Å; Y183-F408 HydrophobicContact CD1-CD1 3.75Å; Y183-F408 AromaticContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CE1-CD1 4.07Å; Y183-F408 HydrophobicContact CE1-CE1 4.13Å; Y183-F408 HydrophobicContact CG-CE1 4.05Å; L187-F408 HydrophobicContact CD1-CE1 3.95Å; L187-F408 HydrophobicContact CD1-CZ 4.03Å; F385-F408 AromaticContact CE2-CD1 3.92Å; F385-F408 HydrophobicContact CE2-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CB 4.08Å; F385-F408 AromaticContact CZ-CD1 3.91Å; F385-F408 HydrophobicContact CZ-CD1 3.91Å; F385-F408 WeakPolarHBondContact CZ-O 3.44Å; F389-F408 HydrophobicContact CD2-CB 4.21Å; F389-F408 HydrophobicContact CD2-CD1 4.45Å; F389-F408 HydrophobicContact CD2-CG 4.49Å; F389-F408 HydrophobicContact CE2-CB 3.56Å; F389-F408 HydrophobicContact CE2-CD1 4.41Å; F389-F408 HydrophobicContact CE2-CG 4.01Å; F389-F408 HydrophobicContact CZ-CB 3.75Å; L395-F408 HydrophobicContact CD1-CD1 4.23Å; L395-F408 HydrophobicContact CD1-CD2 3.93Å; L395-F408 HydrophobicContact CD1-CE1 4.09Å; L395-F408 HydrophobicContact CD1-CE2 3.78Å; L395-F408 HydrophobicContact CD1-CG 4.16Å; L395-F408 HydrophobicContact CD1-CZ 3.88Å; Y398-F408 HydrophobicContact CD1-CE1 4.42Å; Y398-F408 AromaticContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD2-CZ 4.01Å; Y398-F408 HydrophobicContact CE1-CZ 4.4Å; Y398-F408 HydrophobicContact CG-CE1 4.35Å; Y398-F408 HydrophobicContact CG-CE2 4.33Å; Y398-F408 AromaticContact CG-CZ 3.49Å; Y398-F408 HydrophobicContact CG-CZ 3.49Å; Y398-F408 VanDerWaalsContact CG-CZ 3.49Å; M403-F408 HydrophobicContact CB-CE2 4.43Å; M403-F408 HydrophobicContact CE-CD2 4.43Å; M403-F408 HydrophobicContact CE-CE2 3.87Å; M403-F408 HydrophobicContact CE-CZ 4.25Å; M403-F408 HydrophobicContact SD-CE2 4.28Å; M403-F408 HydrophobicContact SD-CZ 4.45Å; E405-F408 WeakPolarHBondContact O-CB 3.36Å; E405-F408 PolarHBondContact O-N 3.45Å; M406-F408 VanDerWaalsContact C-N 3.25Å; M406-F408 PolarHBondContact O-N 3.31Å; F408-E412 WeakPolarHBondContact O-CB 3.44Å; F408-E412 PolarHBondContact O-N 2.9Å
409	T	94.2	Very high	93.6	Very high	71 Å²	71	48.4 Å²	48.4	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-70	-39.6	-179.4	-52.2	0	0	0	0	110.7	E405 M406 E407 E412 S413	E405-T409 PolarHBondContact O-N 2.98Å; E405-T409 PolarHBondContact O-OG1 2.9Å; M406-T409 WeakPolarHBondContact O-CA 3.31Å; M406-T409 WeakPolarHBondContact O-CB 3.44Å; M406-T409 PolarHBondContact O-N 3.29Å; E407-T409 VanDerWaalsContact C-N 3.34Å; T409-E412 PolarHBondContact O-N 3.45Å; T409-S413 WeakPolarHBondContact O-CB 3.47Å; T409-S413 PolarHBondContact O-N 2.97Å
410	E	94.7	Very high	93.6	Very high	105 Å²	105	49.1 Å²	49.1	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-46.5	174.7	-71.3	176.1	-178.7	0	0	111.4	M406 E412 S413 N414	M406-E410 HydrophobicContact CG-CG 4.47Å; M406-E410 WeakPolarHBondContact O-CG 3.42Å; M406-E410 PolarHBondContact O-N 3.28Å; E410-E412 PolarHBondContact O-N 3.35Å; E410-S413 PolarHBondContact O-N 3.21Å; E410-N414 WeakPolarHBondContact O-CB 3.45Å; E410-N414 PolarHBondContact O-N 3.07Å
411	A	94.5	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-39.5	177.2	0	0	0	0	0	112.5	T186 L187 H190 E407 M415	T186-A411 HydrophobicContact CG2-CB 3.93Å; L187-A411 HydrophobicContact CD2-CB 3.9Å; H190-A411 HydrophobicContact CB-CB 3.93Å; E407-A411 WeakPolarHBondContact O-CB 3.25Å; E407-A411 PolarHBondContact O-N 2.99Å; A411-M415 WeakPolarHBondContact O-CB 3.23Å; A411-M415 PolarHBondContact O-N 2.96Å
412	E	94.1	Very high	93.7	Very high	31 Å²	31	45.7 Å²	45.7	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-45.8	173.2	-173.1	176.8	-142.7	0	0	111.5	F385 T386 F408 T409 E410 M415 N416	F385-E412 HydrophobicContact CD1-CB 4.19Å; F385-E412 HydrophobicContact CD1-CG 3.99Å; F385-E412 HydrophobicContact CE1-CB 3.61Å; F385-E412 HydrophobicContact CE1-CG 3.83Å; F385-E412 HydrophobicContact CZ-CB 4.2Å; T386-E412 WeakPolarHBondContact CB-OE1 3.35Å; T386-E412 PolarHBondContact OG1-OE1 2.97Å; F408-E412 WeakPolarHBondContact O-CB 3.44Å; F408-E412 PolarHBondContact O-N 2.9Å; T409-E412 PolarHBondContact O-N 3.45Å; E410-E412 PolarHBondContact O-N 3.35Å; E412-M415 PolarHBondContact O-N 2.78Å; E412-N416 VanDerWaalsContact O-CG 3.27Å; E412-N416 PolarHBondContact O-N 3.17Å; E412-N416 PolarHBondContact O-ND2 3.07Å
413	S	94.6	Very high	93.9	Very high	60 Å²	60	45.3 Å²	45.3	42%	0.42	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-51.8	177.6	-166.9	0	0	0	0	111.1	T409 E410 M415 N416 D417	T409-S413 WeakPolarHBondContact O-CB 3.47Å; T409-S413 PolarHBondContact O-N 2.97Å; E410-S413 PolarHBondContact O-N 3.21Å; S413-M415 VanDerWaalsContact C-N 3.28Å; S413-M415 PolarHBondContact O-N 3.35Å; S413-N416 CarbonylContact O-C 3.58Å; S413-N416 WeakPolarHBondContact O-CA 3.48Å; S413-N416 WeakPolarHBondContact O-CB 3.43Å; S413-N416 PolarHBondContact O-N 3.32Å; S413-D417 VanDerWaalsContact O-CG 3.24Å; S413-D417 PolarHBondContact O-N 3.42Å
414	N	94.5	Very high	93.8	Very high	15 Å²	15	51 Å²	51	8%	0.08	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-35.1	-178.1	-174.7	45.3	0	0	0	112.3	H190 R262 E410 D417 L418	H190-N414 PolarHBondContact ND1-ND2 3.31Å; R262-N414 PolarHBondContact NH1-OD1 3.26Å; R262-N414 PolarHBondContact NH2-OD1 3.3Å; E410-N414 WeakPolarHBondContact O-CB 3.45Å; E410-N414 PolarHBondContact O-N 3.07Å; N414-D417 PolarHBondContact O-N 3.05Å; N414-L418 WeakPolarHBondContact O-CB 3.44Å; N414-L418 PolarHBondContact O-N 3.46Å
415	M	93.4	Very high	93.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-37.8	173.9	-173.3	169	57.9	0	0	112	T186 F378 I381 S382 A411 E412 S413 L418 V419	T186-M415 HydrophobicContact CG2-CE 3.61Å; T186-M415 HydrophobicContact CG2-SD 4.32Å; T186-M415 WeakPolarHBondContact OG1-CE 3.35Å; F378-M415 HydrophobicContact CB-CG 4.48Å; I381-M415 HydrophobicContact CB-SD 4.44Å; I381-M415 HydrophobicContact CG2-CE 4.39Å; I381-M415 HydrophobicContact CG2-SD 4.19Å; S382-M415 VanDerWaalsContact CA-CE 3.45Å; A411-M415 WeakPolarHBondContact O-CB 3.23Å; A411-M415 PolarHBondContact O-N 2.96Å; E412-M415 PolarHBondContact O-N 2.78Å; S413-M415 VanDerWaalsContact C-N 3.28Å; S413-M415 PolarHBondContact O-N 3.35Å; M415-L418 PolarHBondContact O-N 3.05Å; M415-V419 WeakPolarHBondContact O-CG2 3.3Å; M415-V419 PolarHBondContact O-N 3.19Å; M415-V419 VanDerWaalsContact O-N 3.09Å
416	N	94.1	Very high	93.6	Very high	62 Å²	62	46.8 Å²	46.8	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-70.9	-34.2	174.9	-68.2	-34.7	0	0	0	112.4	S382 E412 S413 V419 S420	S382-N416 PolarHBondContact OG-OD1 3.34Å; E412-N416 VanDerWaalsContact O-CG 3.27Å; E412-N416 PolarHBondContact O-N 3.17Å; E412-N416 PolarHBondContact O-ND2 3.07Å; S413-N416 CarbonylContact O-C 3.58Å; S413-N416 WeakPolarHBondContact O-CA 3.48Å; S413-N416 WeakPolarHBondContact O-CB 3.43Å; S413-N416 PolarHBondContact O-N 3.32Å; N416-V419 PolarHBondContact O-N 3.18Å; N416-S420 WeakPolarHBondContact O-CB 3.46Å; N416-S420 PolarHBondContact O-N 3.38Å; N416-S420 PolarHBondContact O-OG 3.05Å
417	D	95.3	Very high	93.4	Very high	79 Å²	79	45.8 Å²	45.8	42%	0.422	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-44.8	173.2	-65.2	-27.8	0	0	0	110.3	S413 N414 V419 S420 E421	S413-D417 VanDerWaalsContact O-CG 3.24Å; S413-D417 PolarHBondContact O-N 3.42Å; N414-D417 PolarHBondContact O-N 3.05Å; D417-V419 VanDerWaalsContact C-N 3.34Å; D417-V419 PolarHBondContact O-N 2.99Å; D417-S420 CarbonylContact O-C 3.51Å; D417-S420 WeakPolarHBondContact O-CA 3.33Å; D417-S420 WeakPolarHBondContact O-CB 3.46Å; D417-S420 PolarHBondContact O-N 2.95Å; D417-E421 WeakPolarHBondContact O-CG 3.38Å; D417-E421 PolarHBondContact O-N 3.28Å
418	L	93.9	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-43.9	173.8	-178.9	70.2	0	0	0	112.3	V189 V193 R262 L263 F265 F378 N414 M415 S420 E421 Y422	V189-L418 HydrophobicContact CG1-CD2 4.35Å; V193-L418 HydrophobicContact CG2-CD1 4.41Å; V193-L418 HydrophobicContact CG2-CD2 3.83Å; R262-L418 HydrophobicContact CB-CD1 4.48Å; L263-L418 HydrophobicContact CD2-CD1 3.83Å; F265-L418 HydrophobicContact CD2-CD2 4.13Å; F265-L418 HydrophobicContact CE2-CD1 4.27Å; F265-L418 HydrophobicContact CE2-CD2 3.7Å; F265-L418 HydrophobicContact CZ-CD2 4.39Å; F378-L418 HydrophobicContact CD1-CD2 4.49Å; F378-L418 HydrophobicContact CD2-CD2 4.14Å; F378-L418 HydrophobicContact CE1-CD2 4.23Å; F378-L418 HydrophobicContact CE2-CD2 3.85Å; F378-L418 HydrophobicContact CG-CD2 4.45Å; F378-L418 HydrophobicContact CZ-CD2 3.91Å; N414-L418 WeakPolarHBondContact O-CB 3.44Å; N414-L418 PolarHBondContact O-N 3.46Å; M415-L418 PolarHBondContact O-N 3.05Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 2.8Å; L418-E421 PolarHBondContact O-N 2.79Å; L418-Y422 HydrophobicContact CD1-CD2 4.32Å; L418-Y422 HydrophobicContact CD1-CE2 3.9Å; L418-Y422 HydrophobicContact CD2-CE2 4.41Å; L418-Y422 HydrophobicContact CG-CD2 4.13Å; L418-Y422 HydrophobicContact CG-CE2 3.94Å; L418-Y422 VanDerWaalsContact O-CD2 3.29Å; L418-Y422 WeakPolarHBondContact O-CD2 3.29Å; L418-Y422 PolarHBondContact O-N 3.06Å; L418-Y422 VanDerWaalsContact O-N 3.08Å
419	V	94.1	Very high	92.1	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-40.6	175.1	166.8	0	0	0	0	111	Q375 F378 K379 M415 N416 D417 Y422 Q423	Q375-V419 HydrophobicContact CB-CG1 4.39Å; F378-V419 HydrophobicContact CB-CG2 3.56Å; K379-V419 HydrophobicContact CD-CG1 4.27Å; K379-V419 HydrophobicContact CG-CG1 3.88Å; K379-V419 HydrophobicContact CG-CG2 4.34Å; M415-V419 WeakPolarHBondContact O-CG2 3.3Å; M415-V419 PolarHBondContact O-N 3.19Å; M415-V419 VanDerWaalsContact O-N 3.09Å; N416-V419 PolarHBondContact O-N 3.18Å; D417-V419 VanDerWaalsContact C-N 3.34Å; D417-V419 PolarHBondContact O-N 2.99Å; V419-Y422 PolarHBondContact O-N 3.1Å; V419-Q423 PolarHBondContact O-N 3.32Å
420	S	94.1	Very high	90.7	Very high	71 Å²	71	46.7 Å²	46.7	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-67.7	-39.2	179	-57.5	0	0	0	0	111.8	N416 D417 L418 Q423 Q424	N416-S420 WeakPolarHBondContact O-CB 3.46Å; N416-S420 PolarHBondContact O-N 3.38Å; N416-S420 PolarHBondContact O-OG 3.05Å; D417-S420 CarbonylContact O-C 3.51Å; D417-S420 WeakPolarHBondContact O-CA 3.33Å; D417-S420 WeakPolarHBondContact O-CB 3.46Å; D417-S420 PolarHBondContact O-N 2.95Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 2.8Å; S420-Q423 PolarHBondContact O-N 3.22Å; S420-Q424 WeakPolarHBondContact O-CB 3.43Å; S420-Q424 PolarHBondContact O-N 3.2Å
421	E	93.8	Very high	88.9	Confident	43 Å²	43	50 Å²	50	20%	0.201	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-47.7	172.8	-72.5	172.1	-144.8	0	0	111.2	R262 L263 D417 L418 Q423 Q424 Y425	R262-E421 WeakPolarHBondContact CB-OE2 3.28Å; R262-E421 IonicContact CZ-OE1 3.3Å; R262-E421 IonicContact NE-OE1 3.04Å; R262-E421 PolarHBondContact NE-OE1 2.98Å; R262-E421 IonicContact NE-OE2 2.74Å; R262-E421 PolarHBondContact NE-OE2 3.11Å; R262-E421 IonicContact NH2-OE1 3.85Å; R262-E421 PolarHBondContact NH2-OE1 2.84Å; R262-E421 VanDerWaalsContact NH2-OE1 3.14Å; L263-E421 HydrophobicContact CD2-CB 4.07Å; D417-E421 WeakPolarHBondContact O-CG 3.38Å; D417-E421 PolarHBondContact O-N 3.28Å; L418-E421 PolarHBondContact O-N 2.79Å; E421-Q423 VanDerWaalsContact C-N 3.28Å; E421-Q423 PolarHBondContact O-N 3.34Å; E421-Q424 WeakPolarHBondContact O-CB 3.44Å; E421-Q424 PolarHBondContact O-N 2.62Å; E421-Y425 WeakPolarHBondContact O-CD2 3.48Å; E421-Y425 PolarHBondContact O-N 3.08Å; E421-Y425 VanDerWaalsContact O-N 3.15Å
422	Y	94	Very high	86.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-39	175.5	-83.3	-63.9	0	0	0	112.6	L263 T372 I374 F378 L418 V419 Q426	L263-Y422 HydrophobicContact CB-CE1 4.01Å; L263-Y422 HydrophobicContact CD1-CD1 4.24Å; L263-Y422 HydrophobicContact CD1-CE1 4.24Å; L263-Y422 HydrophobicContact CD2-CD1 3.99Å; L263-Y422 HydrophobicContact CD2-CD2 3.91Å; L263-Y422 HydrophobicContact CD2-CE1 3.81Å; L263-Y422 HydrophobicContact CD2-CE2 3.69Å; L263-Y422 HydrophobicContact CD2-CG 4.06Å; L263-Y422 HydrophobicContact CG-CE1 4.23Å; T372-Y422 HydrophobicContact CG2-CD1 4.37Å; T372-Y422 WeakPolarHBondContact CG2-O 3.5Å; I374-Y422 HydrophobicContact CG2-CD1 4.06Å; I374-Y422 HydrophobicContact CG2-CD2 4Å; I374-Y422 HydrophobicContact CG2-CE1 3.61Å; I374-Y422 HydrophobicContact CG2-CE2 3.56Å; I374-Y422 HydrophobicContact CG2-CG 4.24Å; F378-Y422 HydrophobicContact CD2-CE2 4.47Å; F378-Y422 HydrophobicContact CE2-CE2 4.07Å; L418-Y422 HydrophobicContact CD1-CD2 4.32Å; L418-Y422 HydrophobicContact CD1-CE2 3.9Å; L418-Y422 HydrophobicContact CD2-CE2 4.41Å; L418-Y422 HydrophobicContact CG-CD2 4.13Å; L418-Y422 HydrophobicContact CG-CE2 3.94Å; L418-Y422 VanDerWaalsContact O-CD2 3.29Å; L418-Y422 WeakPolarHBondContact O-CD2 3.29Å; L418-Y422 PolarHBondContact O-N 3.06Å; L418-Y422 VanDerWaalsContact O-N 3.08Å; V419-Y422 PolarHBondContact O-N 3.1Å; Y422-Q426 WeakPolarHBondContact O-CB 3.31Å; Y422-Q426 PolarHBondContact O-N 2.97Å
423	Q	92.7	Very high	84.2	Confident	56 Å²	56	59.1 Å²	59.1	26%	0.262	33%	0.334	S	S	.	.	H	α-helix	trans	-66.4	-42.3	176.7	-172.2	62.1	54.4	0	0	111.5	Q375 V419 S420 E421 Y425 Q426 D427	Q375-Q423 VanDerWaalsContact NE2-OE1 3.08Å; Q375-Q423 VanDerWaalsContact OE1-OE1 3.04Å; V419-Q423 PolarHBondContact O-N 3.32Å; S420-Q423 PolarHBondContact O-N 3.22Å; E421-Q423 VanDerWaalsContact C-N 3.28Å; E421-Q423 PolarHBondContact O-N 3.34Å; Q423-Y425 PolarHBondContact O-N 3.48Å; Q423-Q426 WeakPolarHBondContact O-CB 3.22Å; Q423-Q426 PolarHBondContact O-N 3.3Å; Q423-Q426 VanDerWaalsContact O-N 3.16Å; Q423-D427 VanDerWaalsContact NE2-CG 3.35Å; Q423-D427 PolarHBondContact NE2-OD1 3.25Å; Q423-D427 PolarHBondContact NE2-OD2 3Å; Q423-D427 PolarHBondContact O-N 2.86Å; Q423-D427 VanDerWaalsContact O-N 3.11Å
424	Q	93.1	Very high	81.6	Confident	127 Å²	127	64.5 Å²	64.5	59%	0.593	35%	0.352	S	S	*	.	H	α-helix	trans	-56.9	-48.8	177.5	-177.8	-177.3	-1.6	0	0	111.5	S420 E421 Q426 D427 A428	S420-Q424 WeakPolarHBondContact O-CB 3.43Å; S420-Q424 PolarHBondContact O-N 3.2Å; E421-Q424 WeakPolarHBondContact O-CB 3.44Å; E421-Q424 PolarHBondContact O-N 2.62Å; Q424-Q426 VanDerWaalsContact C-N 3.3Å; Q424-Q426 PolarHBondContact O-N 3.12Å; Q424-D427 PolarHBondContact O-N 3.26Å; Q424-A428 WeakPolarHBondContact O-CB 3.32Å; Q424-A428 PolarHBondContact O-N 3.48Å
425	Y	91.2	Very high	79.1	Confident	52 Å²	52	72.8 Å²	72.8	20%	0.204	39%	0.388	C	S	.	.	H	α-helix	trans	-75.3	-19.3	179.4	-66	-66.5	0	0	0	114	F260 L263 W344 E421 Q423	F260-Y425 HydrophobicContact CD2-CD1 4.43Å; F260-Y425 HydrophobicContact CD2-CD2 4.23Å; F260-Y425 HydrophobicContact CD2-CE1 4.06Å; F260-Y425 AromaticContact CD2-CE2 3.82Å; F260-Y425 HydrophobicContact CD2-CE2 3.82Å; F260-Y425 AromaticContact CD2-CZ 3.72Å; F260-Y425 AromaticContact CE1-CE1 3.92Å; F260-Y425 HydrophobicContact CE1-CE1 3.92Å; F260-Y425 AromaticContact CE1-CZ 3.78Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.45Å; F260-Y425 AromaticContact CE2-CD1 3.57Å; F260-Y425 HydrophobicContact CE2-CD1 3.57Å; F260-Y425 HydrophobicContact CE2-CD2 4.15Å; F260-Y425 AromaticContact CE2-CE1 3.24Å; F260-Y425 HydrophobicContact CE2-CE1 3.24Å; F260-Y425 AromaticContact CE2-CE2 3.85Å; F260-Y425 HydrophobicContact CE2-CE2 3.85Å; F260-Y425 HydrophobicContact CE2-CG 4.01Å; F260-Y425 AromaticContact CE2-CZ 3.38Å; F260-Y425 HydrophobicContact CG-CE2 4.23Å; F260-Y425 AromaticContact CZ-CD1 3.9Å; F260-Y425 HydrophobicContact CZ-CD1 3.9Å; F260-Y425 AromaticContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE2 4.35Å; F260-Y425 AromaticContact CZ-CZ 3.44Å; F260-Y425 VanDerWaalsContact CZ-CZ 3.44Å; L263-Y425 HydrophobicContact CD1-CD2 3.39Å; L263-Y425 HydrophobicContact CD1-CE2 3.66Å; L263-Y425 HydrophobicContact CD1-CG 4.39Å; W344-Y425 HydrophobicContact CZ2-CD1 4.25Å; E421-Y425 WeakPolarHBondContact O-CD2 3.48Å; E421-Y425 PolarHBondContact O-N 3.08Å; E421-Y425 VanDerWaalsContact O-N 3.15Å; Q423-Y425 PolarHBondContact O-N 3.48Å
426	Q	89.8	Confident	76.4	Confident	29 Å²	29	81.9 Å²	81.9	14%	0.136	43%	0.43	C	S	.	.	H	α-helix	trans	-68.4	-42.3	172.1	-177.2	167.5	-53.2	0	0	111.2	H307 R309 T372 Y422 Q423 Q424	H307-Q426 PolarHBondContact O-NE2 3.24Å; R309-Q426 PolarHBondContact NH1-O 3.31Å; T372-Q426 HydrophobicContact CG2-CB 3.97Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.46Å; T372-Q426 PolarHBondContact OG1-OE1 3.38Å; Y422-Q426 WeakPolarHBondContact O-CB 3.31Å; Y422-Q426 PolarHBondContact O-N 2.97Å; Q423-Q426 WeakPolarHBondContact O-CB 3.22Å; Q423-Q426 PolarHBondContact O-N 3.3Å; Q423-Q426 VanDerWaalsContact O-N 3.16Å; Q424-Q426 VanDerWaalsContact C-N 3.3Å; Q424-Q426 PolarHBondContact O-N 3.12Å
427	D	88.6	Confident	73.7	Confident	99 Å²	99	88.3 Å²	88.3	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-85.7	-19.4	-177.3	-62.7	-29.4	0	0	0	112.6	Q423 Q424 T429	Q423-D427 VanDerWaalsContact NE2-CG 3.35Å; Q423-D427 PolarHBondContact NE2-OD1 3.25Å; Q423-D427 PolarHBondContact NE2-OD2 3Å; Q423-D427 PolarHBondContact O-N 2.86Å; Q423-D427 VanDerWaalsContact O-N 3.11Å; Q424-D427 PolarHBondContact O-N 3.26Å; D427-T429 PolarHBondContact O-N 3.09Å
428	A	83.9	Confident	70.9	Confident	22 Å²	22	93.8 Å²	93.8	18%	0.182	48%	0.482	C	S	.	.			trans	-54.4	134.4	177	0	0	0	0	0	112.4	R309 Q424	R309-A428 PolarHBondContact NH1-O 2.93Å; Q424-A428 WeakPolarHBondContact O-CB 3.32Å; Q424-A428 PolarHBondContact O-N 3.48Å
429	T	76.3	Confident	68.3	Low	64 Å²	64	97.3 Å²	97.3	39%	0.393	52%	0.517	S	S	.	.			trans	-120.2	153.8	174.8	61.3	0	0	0	0	110.4	D427 E431 E432	D427-T429 PolarHBondContact O-N 3.09Å; T429-E431 PolarHBondContact O-N 3.25Å; T429-E432 PolarHBondContact O-N 3.11Å
430	A	64.8	Low	65.5	Low	53 Å²	53	106 Å²	106	44%	0.438	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-64.6	-18.9	-177.4	0	0	0	0	0	113.5	W344	W344-A430 HydrophobicContact CB-CB 4.43Å
431	E	55.9	Low	63	Low	173 Å²	173	111.3 Å²	111.3	81%	0.808	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-81	-15	-178.1	-66.5	-175.1	165.2	0	0	113.8	T429 G433	T429-E431 PolarHBondContact O-N 3.25Å; E431-G433 PolarHBondContact O-N 3.48Å
432	E	48.6	Very low	60.5	Low	154 Å²	154	118.5 Å²	118.5	72%	0.72	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-81	1.2	-179.5	-71.9	-178.1	161.1	0	0	113.9	T429	T429-E432 PolarHBondContact O-N 3.11Å
433	G	42.7	Very low	58.3	Low	69 Å²	69	125.4 Å²	125.4	71%	0.711	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-100.3	0.8	-177.2	0	0	0	0	0	116.9	E431	E431-G433 PolarHBondContact O-N 3.48Å
434	E	39.3	Very low	56.2	Low	173 Å²	173	130.7 Å²	130.7	81%	0.808	70%	0.703	S	S	*	*	S	Bend	trans	-99.2	13.2	-177.4	-76.8	-165	165.7	0	0	115
435	F	40.8	Very low	54.3	Low	190 Å²	190	130.9 Å²	130.9	83%	0.833	71%	0.709	S	S	*	*			trans	-123.3	51.5	-175	-85.8	-100.6	0	0	0	114.8
436	E	38.1	Very low	52.4	Low	190 Å²	190	135.1 Å²	135.1	89%	0.888	74%	0.735	S	S	*	*			trans	-145.6	49.1	157.6	-72.9	-165.5	168.8	0	0	112.4
437	E	36.7	Very low	50.3	Low	198 Å²	198	140.9 Å²	140.9	93%	0.925	77%	0.768	S	S	*	*			trans	-105	70.4	148.6	-81.9	-168.7	166.5	0	0	107.7	G439	E437-G439 PolarHBondContact O-N 3.42Å
438	E	36.3	Very low	48.1	Very low	194 Å²	194	143.4 Å²	143.4	91%	0.907	78%	0.782	S	S	*	*			trans	-69.6	125.5	165.7	-82.4	-165.2	157.1	0	0	109.2
439	G	39.4	Very low	45.8	Very low	73 Å²	73	151 Å²	151	75%	0.753	82%	0.82	S	S	*	*			trans	-66.5	133.1	-168.5	0	0	0	0	0	115.3	E437 E441	E437-G439 PolarHBondContact O-N 3.42Å; G439-E441 VanDerWaalsContact C-N 3.3Å; G439-E441 PolarHBondContact O-N 2.98Å
440	E	36.1	Very low	43.8	Very low	197 Å²	197	156.8 Å²	156.8	92%	0.921	85%	0.849	S	S	*	*			trans	-80	82.4	147.6	-72	-173	156.2	0	0	108.3	E442	E440-E442 PolarHBondContact O-N 2.82Å
441	E	40.2	Very low	42.3	Very low	181 Å²	181	164.2 Å²	164.2	85%	0.846	88%	0.878	S	S	*	*			trans	-71.8	110.8	157.2	-84.7	-170	159	0	0	108.3	G439 V443	G439-E441 VanDerWaalsContact C-N 3.3Å; G439-E441 PolarHBondContact O-N 2.98Å; E441-V443 PolarHBondContact O-N 2.64Å
442	E	42.4	Very low	41.2	Very low	195 Å²	195	163.5 Å²	163.5	91%	0.911	88%	0.883	S	S	*	*			trans	-51.1	119.5	167.8	-71	-177.1	142.3	0	0	110.7	E440	E440-E442 PolarHBondContact O-N 2.82Å
443	V	46.6	Very low	40.6	Very low	145 Å²	145	164.3 Å²	164.3	88%	0.879	90%	0.897	S	S	*	*			trans	-87	116	165.5	-173.4	0	0	0	0	108.3	E441	E441-V443 PolarHBondContact O-N 2.64Å
444	A	48.9	Very low	40.4	Very low	167 Å²	167	173 Å²	173	100%	1.38	91%	0.914	S	S	*	*			trans	-63.9	0	178.1	0	0	0	0	0	115.1

Retrieved 444 of 444 residues in 1549.4 ms (Link to these results)

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